\n",
" \n",
@@ -10751,14 +10783,14 @@
],
"text/plain": [
" RESNR RESTYPE RESCHAIN RESNR_LIG RESTYPE_LIG RESCHAIN_LIG DIST \\\n",
- "0 743 ALA A 1 UNL A 3.54 \n",
- "1 726 VAL A 1 UNL A 3.89 \n",
- "2 745 LYS A 1 UNL A 3.77 \n",
+ "0 743 ALA A 1 UNL A 3.52 \n",
+ "1 726 VAL A 1 UNL A 3.88 \n",
+ "2 745 LYS A 1 UNL A 3.71 \n",
"\n",
" LIGCARBONIDX PROTCARBONIDX LIGCOO \\\n",
- "0 2551 1783 (15.423, 34.162, 12.932) \n",
- "1 2551 2053 (15.423, 34.162, 12.932) \n",
- "2 2570 2122 (17.353, 31.744, 8.529) \n",
+ "0 2551 521 (15.415, 34.196, 12.969) \n",
+ "1 2551 603 (15.415, 34.196, 12.969) \n",
+ "2 2570 860 (17.33, 31.854, 8.519) \n",
"\n",
" PROTCOO \n",
"0 (13.145, 36.521, 11.607) \n",
@@ -10813,7 +10845,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
- "model_id": "ddb6b3169db44812bdbbddefe55bbbba",
+ "model_id": "bf8f1fbf2c754f3991693e0e76970d51",
"version_major": 2,
"version_minor": 0
},
@@ -10844,7 +10876,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
- "model_id": "1671ba44e6a1455084a85c1d9665accc",
+ "model_id": "76214e4398d64e458ea06e8ef08d49a5",
"version_major": 2,
"version_minor": 0
},
@@ -10892,7 +10924,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
- "model_id": "240a1bfd0bfc40eb8d64d14d7d1da68c",
+ "model_id": "48fb007eb2944b9fa875b3318ffe61e5",
"version_major": 2,
"version_minor": 0
},
@@ -10929,7 +10961,7 @@
"outputs": [
{
"data": {
- "image/png": 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"text/plain": [
""
]
@@ -10942,7 +10974,7 @@
{
"data": {
"application/vnd.jupyter.widget-view+json": {
- "model_id": "84732735cab74964ad65f8f4c8b518b8",
+ "model_id": "e36373def6cb47bb8b290933c84dcad7",
"version_major": 2,
"version_minor": 0
},
@@ -10999,46 +11031,58 @@
"widgets": {
"application/vnd.jupyter.widget-state+json": {
"state": {
- "0075fcaa521843ff8cb1b116874bd3aa": {
+ "006299c3e0cf426cb4dc7f1edfcd272d": {
"model_module": "@jupyter-widgets/base",
"model_module_version": "1.2.0",
"model_name": "LayoutModel",
"state": {}
},
- "0125cddc34ed4c34acd422491fc88582": {
+ "02b26ab2f7a44599ae489ba384312ae3": {
+ "model_module": "@jupyter-widgets/controls",
+ "model_module_version": "1.5.0",
+ "model_name": "HBoxModel",
+ "state": {
+ "children": [
+ "IPY_MODEL_0f544d3e2efa4b3fa62e7ce3e01a869e",
+ "IPY_MODEL_a38bc948708542da83369e4c2616a860"
+ ],
+ "layout": "IPY_MODEL_795da22cf7c84ef2a9afd87c9c107625"
+ }
+ },
+ "032fd120fa04440fbcc6a922843985ad": {
"model_module": "@jupyter-widgets/base",
"model_module_version": "1.2.0",
"model_name": "LayoutModel",
"state": {}
},
- "01b8698f628d4d81adbe9a6932d9a5fa": {
+ "037f5bada0af46ff8e0c30cf137a33c5": {
"model_module": "nglview-js-widgets",
"model_module_version": "3.0.1",
"model_name": "NGLModel",
"state": {
"_camera_orientation": [
- 32.458836326614986,
+ 35.619816445898266,
0,
0,
0,
0,
- 32.458836326614986,
+ 35.619816445898266,
0,
0,
0,
0,
- 32.458836326614986,
+ 35.619816445898266,
0,
- -16.83150005340576,
- -33.03100109100342,
- -11.809000015258789,
+ -19.15749979019165,
+ -32.35000038146973,
+ -12.452000379562378,
1
],
"_camera_str": "orthographic",
"_gui_theme": null,
- "_ibtn_fullscreen": "IPY_MODEL_e3b0f71745dd48428088ffd605237587",
+ "_ibtn_fullscreen": "IPY_MODEL_20074925efcf4703b7c1a4949d7be00d",
"_igui": null,
- "_iplayer": "IPY_MODEL_9162decb807f49699a9420196e7e4a05",
+ "_iplayer": "IPY_MODEL_5e5f8d3bc5b54cecba13c9cb682ff8bb",
"_ngl_color_dict": {},
"_ngl_coordinate_resource": {},
"_ngl_full_stage_parameters": {
@@ -11076,7 +11120,7 @@
}
],
"kwargs": {
- "defaultRepresentation": true,
+ "defaultRepresentation": false,
"ext": "pdb"
},
"methodName": "loadFile",
@@ -11086,34 +11130,11 @@
},
{
"args": [
- {
- "binary": false,
- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_4 and C_20\nREMARK 2 A between atoms: C_20 and N_21\nREMARK 3 A between atoms: C_22 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK 5 A between atoms: C_26 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.042 32.283 12.552 0.00 0.00 +0.190 C \nATOM 2 N UNL 1 18.579 32.623 12.648 0.00 0.00 +0.236 N \nATOM 3 C UNL 1 18.084 33.395 11.436 0.00 0.00 +0.136 C \nATOM 4 C UNL 1 16.559 33.481 11.490 0.00 0.00 +0.052 C \nATOM 5 C UNL 1 16.084 34.131 12.795 0.00 0.00 +0.024 C \nATOM 6 C UNL 1 16.613 33.400 14.036 0.00 0.00 +0.069 C \nATOM 7 C UNL 1 18.183 33.257 13.992 0.00 0.00 +0.076 C \nATOM 8 C UNL 1 18.999 34.568 14.281 0.00 0.00 +0.092 C \nATOM 9 C UNL 1 18.424 35.291 15.447 0.00 0.00 -0.017 C \nATOM 10 C UNL 1 18.920 36.251 16.297 0.00 0.00 +0.090 C \nATOM 11 N UNL 1 17.915 36.584 17.185 0.00 0.00 -0.349 N \nATOM 12 C UNL 1 16.780 35.842 16.926 0.00 0.00 +0.049 C \nATOM 13 C UNL 1 15.509 35.793 17.507 0.00 0.00 +0.026 C \nATOM 14 C UNL 1 14.579 34.904 16.940 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 14.900 34.097 15.841 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 16.177 34.151 15.274 0.00 0.00 -0.030 C \nATOM 17 C UNL 1 17.095 35.040 15.846 0.00 0.00 +0.007 C \nATOM 18 C UNL 1 18.028 37.587 18.222 0.00 0.00 +0.149 C \nATOM 19 H UNL 1 18.101 31.711 12.627 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 4 20\nATOM 20 C UNL 1 15.986 34.178 10.244 0.00 0.00 +0.116 C \nBRANCH 20 21\nATOM 21 N UNL 1 15.954 33.359 9.056 0.00 0.00 -0.281 N \nATOM 22 C UNL 1 15.463 33.834 7.873 0.00 0.00 +0.401 C \nATOM 23 O UNL 1 14.805 34.851 7.743 0.00 0.00 -0.226 OA\nATOM 24 H UNL 1 16.592 32.585 8.915 0.00 0.00 +0.152 HD\nBRANCH 22 25\nATOM 25 O UNL 1 15.881 33.018 6.883 0.00 0.00 -0.446 OA\nBRANCH 25 26\nATOM 26 C UNL 1 16.484 31.802 7.340 0.00 0.00 +0.269 C \nBRANCH 26 27\nATOM 27 C UNL 1 15.653 30.645 6.843 0.00 0.00 -0.010 C \nATOM 28 C UNL 1 16.137 29.793 5.842 0.00 0.00 +0.007 C \nATOM 29 C UNL 1 15.371 28.714 5.396 0.00 0.00 +0.000 C \nATOM 30 C UNL 1 14.114 28.475 5.946 0.00 0.00 +0.000 C \nATOM 31 C UNL 1 13.621 29.312 6.944 0.00 0.00 +0.000 C \nATOM 32 C UNL 1 14.386 30.389 7.393 0.00 0.00 +0.007 C \nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 22 25\nENDBRANCH 20 21\nENDBRANCH 4 20\nTORSDOF 5\n",
- "type": "blob"
- }
- ],
- "kwargs": {
- "defaultRepresentation": true,
- "ext": "pdbqt"
- },
- "methodName": "loadFile",
- "reconstruc_color_scheme": false,
- "target": "Stage",
- "type": "call_method"
- },
- {
- "args": [
- "label"
+ "cartoon"
],
- "component_index": 1,
+ "component_index": 0,
"kwargs": {
- "backgroundColor": "black",
- "labelText": [
- "-10.7 kcal/mol"
- ],
- "labelType": "text",
- "sele": "@0",
- "showBackground": true
+ "sele": "all"
},
"methodName": "addRepresentation",
"reconstruc_color_scheme": false,
@@ -11124,7 +11145,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.743 33.125 11.302 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 17.133 32.726 11.821 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 17.451 33.272 13.232 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 16.649 34.603 13.496 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 17.062 35.412 14.771 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 18.542 35.539 14.835 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 19.390 36.428 15.452 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.684 36.010 15.206 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 20.676 34.858 14.451 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 21.698 34.040 13.970 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.307 32.909 13.237 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 19.958 32.620 12.980 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 18.941 33.469 13.439 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 19.348 34.572 14.201 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 15.133 34.322 13.443 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 14.751 33.200 12.478 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 14.441 34.113 14.763 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 21.519 36.468 15.548 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 14.710 35.171 13.038 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 15.344 31.457 8.038 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 15.795 32.370 8.966 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 16.567 33.290 8.701 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 15.313 32.227 10.241 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 14.935 31.323 10.486 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 17.115 30.627 6.524 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 15.900 31.529 6.684 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 14.322 30.430 8.268 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 13.538 30.121 7.003 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "data_3W32\n# \n_entry.id 3W32 \n# \n_audit_conform.dict_name mmcif_pdbx.dic \n_audit_conform.dict_version 5.281 \n_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic \n# \nloop_\n_database_2.database_id \n_database_2.database_code \nPDB 3W32 \nRCSB RCSB095823 \nWWPDB D_1000095823 \n# \nloop_\n_pdbx_database_related.db_name \n_pdbx_database_related.db_id \n_pdbx_database_related.details \n_pdbx_database_related.content_type \nPDB 3POZ . unspecified \nPDB 3W33 . unspecified \n# \n_pdbx_database_status.status_code REL \n_pdbx_database_status.entry_id 3W32 \n_pdbx_database_status.recvd_initial_deposition_date 2012-12-07 \n_pdbx_database_status.deposit_site PDBJ \n_pdbx_database_status.process_site PDBJ \n_pdbx_database_status.methods_development_category ? \n_pdbx_database_status.status_code_sf REL \n_pdbx_database_status.status_code_mr ? \n_pdbx_database_status.SG_entry ? \n_pdbx_database_status.status_code_cs ? \n_pdbx_database_status.pdb_format_compatible Y \n# \nloop_\n_audit_author.name \n_audit_author.pdbx_ordinal \n'Sogabe, S.' 1 \n'Kawakita, Y.' 2 \n# \n_citation.id primary \n_citation.title 'Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors' \n_citation.journal_abbrev Bioorg.Med.Chem. \n_citation.journal_volume 21 \n_citation.page_first 2250 \n_citation.page_last 2261 \n_citation.year 2013 \n_citation.journal_id_ASTM BMECEP \n_citation.country UK \n_citation.journal_id_ISSN 0968-0896 \n_citation.journal_id_CSD 1200 \n_citation.book_publisher ? \n_citation.pdbx_database_id_PubMed 23490150 \n_citation.pdbx_database_id_DOI 10.1016/j.bmc.2013.02.014 \n# \nloop_\n_citation_author.citation_id \n_citation_author.name \n_citation_author.ordinal \nprimary 'Kawakita, Y.' 1 \nprimary 'Seto, M.' 2 \nprimary 'Ohashi, T.' 3 \nprimary 'Tamura, T.' 4 \nprimary 'Yusa, T.' 5 \nprimary 'Miki, H.' 6 \nprimary 'Iwata, H.' 7 \nprimary 'Kamiguchi, H.' 8 \nprimary 'Tanaka, T.' 9 \nprimary 'Sogabe, S.' 10 \nprimary 'Ohta, Y.' 11 \nprimary 'Ishikawa, T.' 12 \n# \n_cell.entry_id 3W32 \n_cell.length_a 46.443 \n_cell.length_b 68.306 \n_cell.length_c 103.273 \n_cell.angle_alpha 90.00 \n_cell.angle_beta 90.00 \n_cell.angle_gamma 90.00 \n_cell.Z_PDB 4 \n_cell.pdbx_unique_axis ? \n_cell.length_a_esd ? \n_cell.length_b_esd ? \n_cell.length_c_esd ? \n_cell.angle_alpha_esd ? \n_cell.angle_beta_esd ? \n_cell.angle_gamma_esd ? \n# \n_symmetry.entry_id 3W32 \n_symmetry.space_group_name_H-M 'P 21 21 21' \n_symmetry.pdbx_full_space_group_name_H-M ? \n_symmetry.cell_setting ? \n_symmetry.Int_Tables_number 19 \n_symmetry.space_group_name_Hall ? \n# \nloop_\n_entity.id \n_entity.type \n_entity.src_method \n_entity.pdbx_description \n_entity.formula_weight \n_entity.pdbx_number_of_molecules \n_entity.pdbx_ec \n_entity.pdbx_mutation \n_entity.pdbx_fragment \n_entity.details \n1 polymer man 'Epidermal growth factor receptor' 37563.457 1 2.7.10.1 ? 'Kinase domain, UNP residues 696-1022' ? \n2 non-polymer syn \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n581.994 1 ? ? ? ? \n3 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? \n4 water nat water 18.015 82 ? ? ? ? \n# \n_entity_name_com.entity_id 1 \n_entity_name_com.name 'Proto-oncogene c-ErbB-1, Receptor tyrosine-protein kinase erbB-1' \n# \n_entity_poly.entity_id 1 \n_entity_poly.type 'polypeptide(L)' \n_entity_poly.nstd_linkage no \n_entity_poly.nstd_monomer no \n_entity_poly.pdbx_seq_one_letter_code \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_seq_one_letter_code_can \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_strand_id A \n_entity_poly.pdbx_target_identifier ? \n# \nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.num \n_entity_poly_seq.mon_id \n_entity_poly_seq.hetero \n1 1 GLY n \n1 2 ALA n \n1 3 MET n \n1 4 GLY n \n1 5 GLU n \n1 6 ALA n \n1 7 PRO n \n1 8 ASN n \n1 9 GLN n \n1 10 ALA n \n1 11 LEU n \n1 12 LEU n \n1 13 ARG n \n1 14 ILE n \n1 15 LEU n \n1 16 LYS n \n1 17 GLU n \n1 18 THR n \n1 19 GLU n \n1 20 PHE n \n1 21 LYS n \n1 22 LYS n \n1 23 ILE n \n1 24 LYS n \n1 25 VAL n \n1 26 LEU n \n1 27 GLY n \n1 28 SER n \n1 29 GLY n \n1 30 ALA n \n1 31 PHE n \n1 32 GLY n \n1 33 THR n \n1 34 VAL n \n1 35 TYR n \n1 36 LYS n \n1 37 GLY n \n1 38 LEU n \n1 39 TRP n \n1 40 ILE n \n1 41 PRO n \n1 42 GLU n \n1 43 GLY n \n1 44 GLU n \n1 45 LYS n \n1 46 VAL n \n1 47 LYS n \n1 48 ILE n \n1 49 PRO n \n1 50 VAL n \n1 51 ALA n \n1 52 ILE n \n1 53 LYS n \n1 54 GLU n \n1 55 LEU n \n1 56 ARG n \n1 57 GLU n \n1 58 ALA n \n1 59 THR n \n1 60 SER n \n1 61 PRO n \n1 62 LYS n \n1 63 ALA n \n1 64 ASN n \n1 65 LYS n \n1 66 GLU n \n1 67 ILE n \n1 68 LEU n \n1 69 ASP n \n1 70 GLU n \n1 71 ALA n \n1 72 TYR n \n1 73 VAL n \n1 74 MET n \n1 75 ALA n \n1 76 SER n \n1 77 VAL n \n1 78 ASP n \n1 79 ASN n \n1 80 PRO n \n1 81 HIS n \n1 82 VAL n \n1 83 CYS n \n1 84 ARG n \n1 85 LEU n \n1 86 LEU n \n1 87 GLY n \n1 88 ILE n \n1 89 CYS n \n1 90 LEU n \n1 91 THR n \n1 92 SER n \n1 93 THR n \n1 94 VAL n \n1 95 GLN n \n1 96 LEU n \n1 97 ILE n \n1 98 THR n \n1 99 GLN n \n1 100 LEU n \n1 101 MET n \n1 102 PRO n \n1 103 PHE n \n1 104 GLY n \n1 105 CYS n \n1 106 LEU n \n1 107 LEU n \n1 108 ASP n \n1 109 TYR n \n1 110 VAL n \n1 111 ARG n \n1 112 GLU n \n1 113 HIS n \n1 114 LYS n \n1 115 ASP n \n1 116 ASN n \n1 117 ILE n \n1 118 GLY n \n1 119 SER n \n1 120 GLN n \n1 121 TYR n \n1 122 LEU n \n1 123 LEU n \n1 124 ASN n \n1 125 TRP n \n1 126 CYS n \n1 127 VAL n \n1 128 GLN n \n1 129 ILE n \n1 130 ALA n \n1 131 LYS n \n1 132 GLY n \n1 133 MET n \n1 134 ASN n \n1 135 TYR n \n1 136 LEU n \n1 137 GLU n \n1 138 ASP n \n1 139 ARG n \n1 140 ARG n \n1 141 LEU n \n1 142 VAL n \n1 143 HIS n \n1 144 ARG n \n1 145 ASP n \n1 146 LEU n \n1 147 ALA n \n1 148 ALA n \n1 149 ARG n \n1 150 ASN n \n1 151 VAL n \n1 152 LEU n \n1 153 VAL n \n1 154 LYS n \n1 155 THR n \n1 156 PRO n \n1 157 GLN n \n1 158 HIS n \n1 159 VAL n \n1 160 LYS n \n1 161 ILE n \n1 162 THR n \n1 163 ASP n \n1 164 PHE n \n1 165 GLY n \n1 166 LEU n \n1 167 ALA n \n1 168 LYS n \n1 169 LEU n \n1 170 LEU n \n1 171 GLY n \n1 172 ALA n \n1 173 GLU n \n1 174 GLU n \n1 175 LYS n \n1 176 GLU n \n1 177 TYR n \n1 178 HIS n \n1 179 ALA n \n1 180 GLU n \n1 181 GLY n \n1 182 GLY n \n1 183 LYS n \n1 184 VAL n \n1 185 PRO n \n1 186 ILE n \n1 187 LYS n \n1 188 TRP n \n1 189 MET n \n1 190 ALA n \n1 191 LEU n \n1 192 GLU n \n1 193 SER n \n1 194 ILE n \n1 195 LEU n \n1 196 HIS n \n1 197 ARG n \n1 198 ILE n \n1 199 TYR n \n1 200 THR n \n1 201 HIS n \n1 202 GLN n \n1 203 SER n \n1 204 ASP n \n1 205 VAL n \n1 206 TRP n \n1 207 SER n \n1 208 TYR n \n1 209 GLY n \n1 210 VAL n \n1 211 THR n \n1 212 VAL n \n1 213 TRP n \n1 214 GLU n \n1 215 LEU n \n1 216 MET n \n1 217 THR n \n1 218 PHE n \n1 219 GLY n \n1 220 SER n \n1 221 LYS n \n1 222 PRO n \n1 223 TYR n \n1 224 ASP n \n1 225 GLY n \n1 226 ILE n \n1 227 PRO n \n1 228 ALA n \n1 229 SER n \n1 230 GLU n \n1 231 ILE n \n1 232 SER n \n1 233 SER n \n1 234 ILE n \n1 235 LEU n \n1 236 GLU n \n1 237 LYS n \n1 238 GLY n \n1 239 GLU n \n1 240 ARG n \n1 241 LEU n \n1 242 PRO n \n1 243 GLN n \n1 244 PRO n \n1 245 PRO n \n1 246 ILE n \n1 247 CYS n \n1 248 THR n \n1 249 ILE n \n1 250 ASP n \n1 251 VAL n \n1 252 TYR n \n1 253 MET n \n1 254 ILE n \n1 255 MET n \n1 256 VAL n \n1 257 LYS n \n1 258 CYS n \n1 259 TRP n \n1 260 MET n \n1 261 ILE n \n1 262 ASP n \n1 263 ALA n \n1 264 ASP n \n1 265 SER n \n1 266 ARG n \n1 267 PRO n \n1 268 LYS n \n1 269 PHE n \n1 270 ARG n \n1 271 GLU n \n1 272 LEU n \n1 273 ILE n \n1 274 ILE n \n1 275 GLU n \n1 276 PHE n \n1 277 SER n \n1 278 LYS n \n1 279 MET n \n1 280 ALA n \n1 281 ARG n \n1 282 ASP n \n1 283 PRO n \n1 284 GLN n \n1 285 ARG n \n1 286 TYR n \n1 287 LEU n \n1 288 VAL n \n1 289 ILE n \n1 290 GLN n \n1 291 GLY n \n1 292 ASP n \n1 293 GLU n \n1 294 ARG n \n1 295 MET n \n1 296 HIS n \n1 297 LEU n \n1 298 PRO n \n1 299 SER n \n1 300 PRO n \n1 301 THR n \n1 302 ASP n \n1 303 SER n \n1 304 ASN n \n1 305 PHE n \n1 306 TYR n \n1 307 ARG n \n1 308 ALA n \n1 309 LEU n \n1 310 MET n \n1 311 ASP n \n1 312 GLU n \n1 313 GLU n \n1 314 ASP n \n1 315 MET n \n1 316 ASP n \n1 317 ASP n \n1 318 VAL n \n1 319 VAL n \n1 320 ASP n \n1 321 ALA n \n1 322 ASP n \n1 323 GLU n \n1 324 TYR n \n1 325 LEU n \n1 326 ILE n \n1 327 PRO n \n1 328 GLN n \n1 329 GLN n \n1 330 GLY n \n# \n_entity_src_gen.entity_id 1 \n_entity_src_gen.pdbx_src_id 1 \n_entity_src_gen.pdbx_alt_source_flag sample \n_entity_src_gen.pdbx_seq_type ? \n_entity_src_gen.pdbx_beg_seq_num ? \n_entity_src_gen.pdbx_end_seq_num ? \n_entity_src_gen.gene_src_common_name human \n_entity_src_gen.gene_src_genus ? \n_entity_src_gen.pdbx_gene_src_gene 'EGFR, ERBB, ERBB1, HER1' \n_entity_src_gen.gene_src_species ? \n_entity_src_gen.gene_src_strain ? \n_entity_src_gen.gene_src_tissue ? \n_entity_src_gen.gene_src_tissue_fraction ? \n_entity_src_gen.gene_src_details ? \n_entity_src_gen.pdbx_gene_src_fragment ? \n_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' \n_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 \n_entity_src_gen.pdbx_gene_src_variant ? \n_entity_src_gen.pdbx_gene_src_cell_line ? \n_entity_src_gen.pdbx_gene_src_atcc ? \n_entity_src_gen.pdbx_gene_src_organ ? \n_entity_src_gen.pdbx_gene_src_organelle ? \n_entity_src_gen.pdbx_gene_src_cell ? \n_entity_src_gen.pdbx_gene_src_cellular_location ? \n_entity_src_gen.host_org_common_name ? \n_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' \n_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 \n_entity_src_gen.host_org_genus ? \n_entity_src_gen.pdbx_host_org_gene ? \n_entity_src_gen.pdbx_host_org_organ ? \n_entity_src_gen.host_org_species ? \n_entity_src_gen.pdbx_host_org_tissue ? \n_entity_src_gen.pdbx_host_org_tissue_fraction ? \n_entity_src_gen.pdbx_host_org_strain ? \n_entity_src_gen.pdbx_host_org_variant ? \n_entity_src_gen.pdbx_host_org_cell_line Sf9 \n_entity_src_gen.pdbx_host_org_atcc ? \n_entity_src_gen.pdbx_host_org_culture_collection ? \n_entity_src_gen.pdbx_host_org_cell ? \n_entity_src_gen.pdbx_host_org_organelle ? \n_entity_src_gen.pdbx_host_org_cellular_location ? \n_entity_src_gen.pdbx_host_org_vector_type baculovirus \n_entity_src_gen.pdbx_host_org_vector ? \n_entity_src_gen.host_org_details ? \n_entity_src_gen.expression_system_id ? \n_entity_src_gen.plasmid_name pFastBac1 \n_entity_src_gen.plasmid_details ? \n_entity_src_gen.pdbx_description ? \n# \n_struct_ref.id 1 \n_struct_ref.db_name UNP \n_struct_ref.db_code EGFR_HUMAN \n_struct_ref.pdbx_db_accession P00533 \n_struct_ref.entity_id 1 \n_struct_ref.pdbx_seq_one_letter_code \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_struct_ref.pdbx_align_begin 696 \n_struct_ref.pdbx_db_isoform ? \n# \n_struct_ref_seq.align_id 1 \n_struct_ref_seq.ref_id 1 \n_struct_ref_seq.pdbx_PDB_id_code 3W32 \n_struct_ref_seq.pdbx_strand_id A \n_struct_ref_seq.seq_align_beg 4 \n_struct_ref_seq.pdbx_seq_align_beg_ins_code ? \n_struct_ref_seq.seq_align_end 330 \n_struct_ref_seq.pdbx_seq_align_end_ins_code ? \n_struct_ref_seq.pdbx_db_accession P00533 \n_struct_ref_seq.db_align_beg 696 \n_struct_ref_seq.pdbx_db_align_beg_ins_code ? \n_struct_ref_seq.db_align_end 1022 \n_struct_ref_seq.pdbx_db_align_end_ins_code ? \n_struct_ref_seq.pdbx_auth_seq_align_beg 696 \n_struct_ref_seq.pdbx_auth_seq_align_end 1022 \n# \nloop_\n_struct_ref_seq_dif.align_id \n_struct_ref_seq_dif.pdbx_pdb_id_code \n_struct_ref_seq_dif.mon_id \n_struct_ref_seq_dif.pdbx_pdb_strand_id \n_struct_ref_seq_dif.seq_num \n_struct_ref_seq_dif.pdbx_pdb_ins_code \n_struct_ref_seq_dif.pdbx_seq_db_name \n_struct_ref_seq_dif.pdbx_seq_db_accession_code \n_struct_ref_seq_dif.db_mon_id \n_struct_ref_seq_dif.pdbx_seq_db_seq_num \n_struct_ref_seq_dif.details \n_struct_ref_seq_dif.pdbx_auth_seq_num \n_struct_ref_seq_dif.pdbx_ordinal \n1 3W32 GLY A 1 ? UNP P00533 ? ? 'EXPRESSION TAG' 693 1 \n1 3W32 ALA A 2 ? UNP P00533 ? ? 'EXPRESSION TAG' 694 2 \n1 3W32 MET A 3 ? UNP P00533 ? ? 'EXPRESSION TAG' 695 3 \n# \nloop_\n_chem_comp.id \n_chem_comp.type \n_chem_comp.mon_nstd_flag \n_chem_comp.name \n_chem_comp.pdbx_synonyms \n_chem_comp.formula \n_chem_comp.formula_weight \nALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 \nARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 \nASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 \nASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 \nCYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 \nGLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 \nGLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 \nGLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 \nHIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 \nHOH non-polymer . WATER ? 'H2 O' 18.015 \nILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 \nLEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 \nLYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 \nMET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 \nPHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 \nPRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 \nSER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 \nSO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 \nTHR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 \nTRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 \nTYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 \nVAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 \nW32 non-polymer . \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n? 'C25 H23 Cl F3 N5 O4 S' 581.994 \n# \n_exptl.entry_id 3W32 \n_exptl.method 'X-RAY DIFFRACTION' \n_exptl.crystals_number 1 \n# \n_exptl_crystal.id 1 \n_exptl_crystal.density_meas ? \n_exptl_crystal.density_Matthews 2.18 \n_exptl_crystal.density_percent_sol 43.59 \n_exptl_crystal.description ? \n_exptl_crystal.F_000 ? \n_exptl_crystal.preparation ? \n# \n_exptl_crystal_grow.crystal_id 1 \n_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' \n_exptl_crystal_grow.temp 298 \n_exptl_crystal_grow.temp_details ? \n_exptl_crystal_grow.pH 5.5 \n_exptl_crystal_grow.pdbx_pH_range ? \n_exptl_crystal_grow.pdbx_details \n'0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K' \n# \n_diffrn.id 1 \n_diffrn.ambient_temp 100 \n_diffrn.ambient_temp_details ? \n_diffrn.crystal_id 1 \n# \n_diffrn_detector.diffrn_id 1 \n_diffrn_detector.detector CCD \n_diffrn_detector.type 'ADSC QUANTUM 315r' \n_diffrn_detector.pdbx_collection_date 2011-12-21 \n_diffrn_detector.details ? \n# \n_diffrn_radiation.diffrn_id 1 \n_diffrn_radiation.wavelength_id 1 \n_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M \n_diffrn_radiation.monochromator ? \n_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' \n_diffrn_radiation.pdbx_scattering_type x-ray \n# \n_diffrn_radiation_wavelength.id 1 \n_diffrn_radiation_wavelength.wavelength 0.97649 \n_diffrn_radiation_wavelength.wt 1.0 \n# \n_diffrn_source.diffrn_id 1 \n_diffrn_source.source SYNCHROTRON \n_diffrn_source.type 'ALS BEAMLINE 5.0.3' \n_diffrn_source.pdbx_synchrotron_site ALS \n_diffrn_source.pdbx_synchrotron_beamline 5.0.3 \n_diffrn_source.pdbx_wavelength ? \n_diffrn_source.pdbx_wavelength_list 0.97649 \n# \n_reflns.pdbx_diffrn_id 1 \n_reflns.pdbx_ordinal 1 \n_reflns.entry_id 3W32 \n_reflns.observed_criterion_sigma_I ? \n_reflns.observed_criterion_sigma_F ? \n_reflns.d_resolution_low 50 \n_reflns.d_resolution_high 1.8 \n_reflns.number_obs 30817 \n_reflns.number_all ? \n_reflns.percent_possible_obs 99.7 \n_reflns.pdbx_Rmerge_I_obs ? \n_reflns.pdbx_Rsym_value 0.054 \n_reflns.pdbx_netI_over_sigmaI 26.1 \n_reflns.B_iso_Wilson_estimate ? \n_reflns.pdbx_redundancy 4.8 \n_reflns.R_free_details ? \n_reflns.limit_h_max ? \n_reflns.limit_h_min ? \n_reflns.limit_k_max ? \n_reflns.limit_k_min ? \n_reflns.limit_l_max ? \n_reflns.limit_l_min ? \n_reflns.observed_criterion_F_max ? \n_reflns.observed_criterion_F_min ? \n_reflns.pdbx_chi_squared ? \n_reflns.pdbx_scaling_rejects ? \n# \n_reflns_shell.pdbx_diffrn_id 1 \n_reflns_shell.pdbx_ordinal 1 \n_reflns_shell.d_res_high 1.8 \n_reflns_shell.d_res_low 1.83 \n_reflns_shell.percent_possible_all 99.9 \n_reflns_shell.Rmerge_I_obs ? \n_reflns_shell.pdbx_Rsym_value 0.898 \n_reflns_shell.meanI_over_sigI_obs 2.0 \n_reflns_shell.pdbx_redundancy 4.9 \n_reflns_shell.percent_possible_obs ? \n_reflns_shell.number_unique_all ? \n_reflns_shell.number_measured_all ? \n_reflns_shell.number_measured_obs ? \n_reflns_shell.number_unique_obs ? \n_reflns_shell.pdbx_chi_squared ? \n# \n_refine.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine.entry_id 3W32 \n_refine.pdbx_diffrn_id 1 \n_refine.pdbx_TLS_residual_ADP_flag ? \n_refine.ls_number_reflns_obs 29096 \n_refine.ls_number_reflns_all ? \n_refine.pdbx_ls_sigma_I ? \n_refine.pdbx_ls_sigma_F . \n_refine.pdbx_data_cutoff_high_absF ? \n_refine.pdbx_data_cutoff_low_absF ? \n_refine.pdbx_data_cutoff_high_rms_absF ? \n_refine.ls_d_res_low 40.00 \n_refine.ls_d_res_high 1.80 \n_refine.ls_percent_reflns_obs 98.97 \n_refine.ls_R_factor_obs 0.20219 \n_refine.ls_R_factor_all ? \n_refine.ls_R_factor_R_work 0.20045 \n_refine.ls_R_factor_R_free 0.23552 \n_refine.ls_R_factor_R_free_error ? \n_refine.ls_R_factor_R_free_error_details ? \n_refine.ls_percent_reflns_R_free 5.0 \n_refine.ls_number_reflns_R_free 1539 \n_refine.ls_number_parameters ? \n_refine.ls_number_restraints ? \n_refine.occupancy_min ? \n_refine.occupancy_max ? \n_refine.correlation_coeff_Fo_to_Fc 0.962 \n_refine.correlation_coeff_Fo_to_Fc_free 0.943 \n_refine.B_iso_mean 46.448 \n_refine.aniso_B[1][1] 3.86 \n_refine.aniso_B[2][2] 0.11 \n_refine.aniso_B[3][3] -3.97 \n_refine.aniso_B[1][2] -0.00 \n_refine.aniso_B[1][3] -0.00 \n_refine.aniso_B[2][3] -0.00 \n_refine.solvent_model_details MASK \n_refine.solvent_model_param_ksol ? \n_refine.solvent_model_param_bsol ? \n_refine.pdbx_solvent_vdw_probe_radii 1.40 \n_refine.pdbx_solvent_ion_probe_radii 0.80 \n_refine.pdbx_solvent_shrinkage_radii 0.80 \n_refine.pdbx_ls_cross_valid_method THROUGHOUT \n_refine.details ? \n_refine.pdbx_starting_model 1XKK \n_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' \n_refine.pdbx_isotropic_thermal_model ? \n_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' \n_refine.pdbx_stereochem_target_val_spec_case ? \n_refine.pdbx_R_Free_selection_details RANDOM \n_refine.pdbx_overall_ESU_R 0.141 \n_refine.pdbx_overall_ESU_R_Free 0.131 \n_refine.overall_SU_ML 0.103 \n_refine.pdbx_overall_phase_error ? \n_refine.overall_SU_B 6.930 \n_refine.overall_SU_R_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_Blow_DPI ? \n_refine.pdbx_overall_SU_R_free_Blow_DPI ? \n_refine.ls_redundancy_reflns_obs ? \n_refine.B_iso_min ? \n_refine.B_iso_max ? \n_refine.overall_SU_R_free ? \n_refine.ls_wR_factor_R_free ? \n_refine.ls_wR_factor_R_work ? \n_refine.overall_FOM_free_R_set ? \n_refine.overall_FOM_work_R_set ? \n# \n_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_hist.cycle_id LAST \n_refine_hist.pdbx_number_atoms_protein 2545 \n_refine_hist.pdbx_number_atoms_nucleic_acid 0 \n_refine_hist.pdbx_number_atoms_ligand 44 \n_refine_hist.number_atoms_solvent 82 \n_refine_hist.number_atoms_total 2671 \n_refine_hist.d_res_high 1.80 \n_refine_hist.d_res_low 40.00 \n# \nloop_\n_refine_ls_restr.type \n_refine_ls_restr.dev_ideal \n_refine_ls_restr.dev_ideal_target \n_refine_ls_restr.weight \n_refine_ls_restr.number \n_refine_ls_restr.pdbx_refine_id \n_refine_ls_restr.pdbx_restraint_function \nr_bond_refined_d 0.009 0.019 ? 2647 'X-RAY DIFFRACTION' ? \nr_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_angle_refined_deg 1.362 1.995 ? 3587 'X-RAY DIFFRACTION' ? \nr_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_1_deg 5.462 5.000 ? 316 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_2_deg 34.868 24.123 ? 114 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_3_deg 14.009 15.000 ? 481 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_4_deg 16.236 15.000 ? 16 'X-RAY DIFFRACTION' ? \nr_chiral_restr 0.092 0.200 ? 393 'X-RAY DIFFRACTION' ? \nr_gen_planes_refined 0.006 0.021 ? 2017 'X-RAY DIFFRACTION' ? \nr_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? \n# \n_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_ls_shell.pdbx_total_number_of_bins_used 20 \n_refine_ls_shell.d_res_high 1.805 \n_refine_ls_shell.d_res_low 1.852 \n_refine_ls_shell.number_reflns_R_work 2043 \n_refine_ls_shell.R_factor_R_work 0.307 \n_refine_ls_shell.percent_reflns_obs 95.73 \n_refine_ls_shell.R_factor_R_free 0.344 \n_refine_ls_shell.R_factor_R_free_error ? \n_refine_ls_shell.percent_reflns_R_free ? \n_refine_ls_shell.number_reflns_R_free 110 \n_refine_ls_shell.number_reflns_all ? \n_refine_ls_shell.R_factor_all ? \n_refine_ls_shell.redundancy_reflns_obs ? \n_refine_ls_shell.number_reflns_obs ? \n# \n_struct.entry_id 3W32 \n_struct.title 'EGFR kinase domain complexed with compound 20a' \n_struct.pdbx_descriptor 'Epidermal growth factor receptor (E.C.2.7.10.1)' \n_struct.pdbx_model_details ? \n_struct.pdbx_CASP_flag ? \n_struct.pdbx_model_type_details ? \n# \n_struct_keywords.entry_id 3W32 \n_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' \n_struct_keywords.text \n'ANTI-ONCOGENE, CELL CYCLE, DISEASE MUTATION, KINASE DOMAIN, RECEPTOR, TRANSFERASE-TRANSFERASE INHIBITOR complex' \n# \nloop_\n_struct_asym.id \n_struct_asym.pdbx_blank_PDB_chainid_flag \n_struct_asym.pdbx_modified \n_struct_asym.entity_id \n_struct_asym.details \nA N N 1 ? \nB N N 2 ? \nC N N 3 ? \nD N N 4 ? \n# \n_struct_biol.id 1 \n_struct_biol.details ? \n# \nloop_\n_struct_conf.conf_type_id \n_struct_conf.id \n_struct_conf.pdbx_PDB_helix_id \n_struct_conf.beg_label_comp_id \n_struct_conf.beg_label_asym_id \n_struct_conf.beg_label_seq_id \n_struct_conf.pdbx_beg_PDB_ins_code \n_struct_conf.end_label_comp_id \n_struct_conf.end_label_asym_id \n_struct_conf.end_label_seq_id \n_struct_conf.pdbx_end_PDB_ins_code \n_struct_conf.beg_auth_comp_id \n_struct_conf.beg_auth_asym_id \n_struct_conf.beg_auth_seq_id \n_struct_conf.end_auth_comp_id \n_struct_conf.end_auth_asym_id \n_struct_conf.end_auth_seq_id \n_struct_conf.pdbx_PDB_helix_class \n_struct_conf.details \n_struct_conf.pdbx_PDB_helix_length \nHELX_P HELX_P1 1 LYS A 16 ? THR A 18 ? LYS A 708 THR A 710 5 ? 3 \nHELX_P HELX_P2 2 ALA A 63 ? VAL A 77 ? ALA A 755 VAL A 769 1 ? 15 \nHELX_P HELX_P3 3 CYS A 105 ? LYS A 114 ? CYS A 797 LYS A 806 1 ? 10 \nHELX_P HELX_P4 4 ASP A 115 ? ILE A 117 ? ASP A 807 ILE A 809 5 ? 3 \nHELX_P HELX_P5 5 GLY A 118 ? ARG A 139 ? GLY A 810 ARG A 831 1 ? 22 \nHELX_P HELX_P6 6 ALA A 147 ? ARG A 149 ? ALA A 839 ARG A 841 5 ? 3 \nHELX_P HELX_P7 7 GLY A 165 ? LEU A 170 ? GLY A 857 LEU A 862 1 ? 6 \nHELX_P HELX_P8 8 GLU A 174 ? GLU A 180 ? GLU A 866 GLU A 872 1 ? 7 \nHELX_P HELX_P9 9 PRO A 185 ? MET A 189 ? PRO A 877 MET A 881 5 ? 5 \nHELX_P HELX_P10 10 ALA A 190 ? ARG A 197 ? ALA A 882 ARG A 889 1 ? 8 \nHELX_P HELX_P11 11 THR A 200 ? THR A 217 ? THR A 892 THR A 909 1 ? 18 \nHELX_P HELX_P12 12 PRO A 227 ? SER A 229 ? PRO A 919 SER A 921 5 ? 3 \nHELX_P HELX_P13 13 GLU A 230 ? LYS A 237 ? GLU A 922 LYS A 929 1 ? 8 \nHELX_P HELX_P14 14 THR A 248 ? TRP A 259 ? THR A 940 TRP A 951 1 ? 12 \nHELX_P HELX_P15 15 ASP A 262 ? ARG A 266 ? ASP A 954 ARG A 958 5 ? 5 \nHELX_P HELX_P16 16 LYS A 268 ? ALA A 280 ? LYS A 960 ALA A 972 1 ? 13 \nHELX_P HELX_P17 17 ASP A 282 ? LEU A 287 ? ASP A 974 LEU A 979 1 ? 6 \nHELX_P HELX_P18 18 GLY A 291 ? MET A 295 ? GLY A 983 MET A 987 5 ? 5 \nHELX_P HELX_P19 19 SER A 299 ? ASP A 302 ? SER A 991 ASP A 994 5 ? 4 \nHELX_P HELX_P20 20 SER A 303 ? ASP A 311 ? SER A 995 ASP A 1003 1 ? 9 \nHELX_P HELX_P21 21 ASP A 320 ? LEU A 325 ? ASP A 1012 LEU A 1017 1 ? 6 \n# \n_struct_conf_type.id HELX_P \n_struct_conf_type.criteria ? \n_struct_conf_type.reference ? \n# \nloop_\n_struct_sheet.id \n_struct_sheet.type \n_struct_sheet.number_strands \n_struct_sheet.details \nA ? 6 ? \nB ? 2 ? \n# \nloop_\n_struct_sheet_order.sheet_id \n_struct_sheet_order.range_id_1 \n_struct_sheet_order.range_id_2 \n_struct_sheet_order.offset \n_struct_sheet_order.sense \nA 1 2 ? parallel \nA 2 3 ? anti-parallel \nA 3 4 ? anti-parallel \nA 4 5 ? anti-parallel \nA 5 6 ? anti-parallel \nB 1 2 ? anti-parallel \n# \nloop_\n_struct_sheet_range.sheet_id \n_struct_sheet_range.id \n_struct_sheet_range.beg_label_comp_id \n_struct_sheet_range.beg_label_asym_id \n_struct_sheet_range.beg_label_seq_id \n_struct_sheet_range.pdbx_beg_PDB_ins_code \n_struct_sheet_range.end_label_comp_id \n_struct_sheet_range.end_label_asym_id \n_struct_sheet_range.end_label_seq_id \n_struct_sheet_range.pdbx_end_PDB_ins_code \n_struct_sheet_range.beg_auth_comp_id \n_struct_sheet_range.beg_auth_asym_id \n_struct_sheet_range.beg_auth_seq_id \n_struct_sheet_range.end_auth_comp_id \n_struct_sheet_range.end_auth_asym_id \n_struct_sheet_range.end_auth_seq_id \nA 1 ARG A 13 ? ILE A 14 ? ARG A 705 ILE A 706 \nA 2 LEU A 85 ? LEU A 90 ? LEU A 777 LEU A 782 \nA 3 VAL A 94 ? GLN A 99 ? VAL A 786 GLN A 791 \nA 4 ILE A 48 ? LEU A 55 ? ILE A 740 LEU A 747 \nA 5 GLY A 32 ? TRP A 39 ? GLY A 724 TRP A 731 \nA 6 PHE A 20 ? SER A 28 ? PHE A 712 SER A 720 \nB 1 VAL A 151 ? THR A 155 ? VAL A 843 THR A 847 \nB 2 HIS A 158 ? ILE A 161 ? HIS A 850 ILE A 853 \n# \nloop_\n_pdbx_struct_sheet_hbond.sheet_id \n_pdbx_struct_sheet_hbond.range_id_1 \n_pdbx_struct_sheet_hbond.range_id_2 \n_pdbx_struct_sheet_hbond.range_1_label_atom_id \n_pdbx_struct_sheet_hbond.range_1_label_comp_id \n_pdbx_struct_sheet_hbond.range_1_label_asym_id \n_pdbx_struct_sheet_hbond.range_1_label_seq_id \n_pdbx_struct_sheet_hbond.range_1_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_1_auth_atom_id \n_pdbx_struct_sheet_hbond.range_1_auth_comp_id \n_pdbx_struct_sheet_hbond.range_1_auth_asym_id \n_pdbx_struct_sheet_hbond.range_1_auth_seq_id \n_pdbx_struct_sheet_hbond.range_2_label_atom_id \n_pdbx_struct_sheet_hbond.range_2_label_comp_id \n_pdbx_struct_sheet_hbond.range_2_label_asym_id \n_pdbx_struct_sheet_hbond.range_2_label_seq_id \n_pdbx_struct_sheet_hbond.range_2_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_2_auth_atom_id \n_pdbx_struct_sheet_hbond.range_2_auth_comp_id \n_pdbx_struct_sheet_hbond.range_2_auth_asym_id \n_pdbx_struct_sheet_hbond.range_2_auth_seq_id \nA 1 2 N ARG A 13 ? N ARG A 705 O ILE A 88 ? O ILE A 780 \nA 2 3 N GLY A 87 ? N GLY A 779 O ILE A 97 ? O ILE A 789 \nA 3 4 O LEU A 96 ? O LEU A 788 N LYS A 53 ? N LYS A 745 \nA 4 5 O ILE A 48 ? O ILE A 740 N TRP A 39 ? N TRP A 731 \nA 5 6 O LYS A 36 ? O LYS A 728 N ILE A 23 ? N ILE A 715 \nB 1 2 N LEU A 152 ? N LEU A 844 O LYS A 160 ? O LYS A 852 \n# \nloop_\n_struct_site.id \n_struct_site.pdbx_evidence_code \n_struct_site.pdbx_auth_asym_id \n_struct_site.pdbx_auth_comp_id \n_struct_site.pdbx_auth_seq_id \n_struct_site.pdbx_auth_ins_code \n_struct_site.pdbx_num_residues \n_struct_site.details \nAC1 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE W32 A 1101' \nAC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1102' \n# \nloop_\n_struct_site_gen.id \n_struct_site_gen.site_id \n_struct_site_gen.pdbx_num_res \n_struct_site_gen.label_comp_id \n_struct_site_gen.label_asym_id \n_struct_site_gen.label_seq_id \n_struct_site_gen.pdbx_auth_ins_code \n_struct_site_gen.auth_comp_id \n_struct_site_gen.auth_asym_id \n_struct_site_gen.auth_seq_id \n_struct_site_gen.label_atom_id \n_struct_site_gen.label_alt_id \n_struct_site_gen.symmetry \n_struct_site_gen.details \n1 AC1 20 SER A 28 ? SER A 720 . ? 1_555 ? \n2 AC1 20 ALA A 51 ? ALA A 743 . ? 1_555 ? \n3 AC1 20 LYS A 53 ? LYS A 745 . ? 1_555 ? \n4 AC1 20 MET A 74 ? MET A 766 . ? 1_555 ? \n5 AC1 20 CYS A 83 ? CYS A 775 . ? 1_555 ? \n6 AC1 20 ARG A 84 ? ARG A 776 . ? 1_555 ? \n7 AC1 20 LEU A 85 ? LEU A 777 . ? 1_555 ? \n8 AC1 20 LEU A 96 ? LEU A 788 . ? 1_555 ? \n9 AC1 20 THR A 98 ? THR A 790 . ? 1_555 ? \n10 AC1 20 GLN A 99 ? GLN A 791 . ? 1_555 ? \n11 AC1 20 LEU A 100 ? LEU A 792 . ? 1_555 ? \n12 AC1 20 MET A 101 ? MET A 793 . ? 1_555 ? \n13 AC1 20 LEU A 152 ? LEU A 844 . ? 1_555 ? \n14 AC1 20 THR A 162 ? THR A 854 . ? 1_555 ? \n15 AC1 20 ASP A 163 ? ASP A 855 . ? 1_555 ? \n16 AC1 20 PHE A 164 ? PHE A 856 . ? 1_555 ? \n17 AC1 20 ASP A 250 ? ASP A 942 . ? 3_655 ? \n18 AC1 20 PHE A 305 ? PHE A 997 . ? 1_555 ? \n19 AC1 20 HOH D . ? HOH A 2001 . ? 1_555 ? \n20 AC1 20 HOH D . ? HOH A 2010 . ? 1_555 ? \n21 AC2 4 ARG A 111 ? ARG A 803 . ? 1_555 ? \n22 AC2 4 LYS A 221 ? LYS A 913 . ? 1_555 ? \n23 AC2 4 ARG A 285 ? ARG A 977 . ? 3_655 ? \n24 AC2 4 HOH D . ? HOH A 2037 . ? 1_555 ? \n# \n_database_PDB_matrix.entry_id 3W32 \n_database_PDB_matrix.origx[1][1] 1.000000 \n_database_PDB_matrix.origx[1][2] 0.000000 \n_database_PDB_matrix.origx[1][3] 0.000000 \n_database_PDB_matrix.origx[2][1] 0.000000 \n_database_PDB_matrix.origx[2][2] 1.000000 \n_database_PDB_matrix.origx[2][3] 0.000000 \n_database_PDB_matrix.origx[3][1] 0.000000 \n_database_PDB_matrix.origx[3][2] 0.000000 \n_database_PDB_matrix.origx[3][3] 1.000000 \n_database_PDB_matrix.origx_vector[1] 0.00000 \n_database_PDB_matrix.origx_vector[2] 0.00000 \n_database_PDB_matrix.origx_vector[3] 0.00000 \n# \n_atom_sites.entry_id 3W32 \n_atom_sites.fract_transf_matrix[1][1] 0.021532 \n_atom_sites.fract_transf_matrix[1][2] 0.000000 \n_atom_sites.fract_transf_matrix[1][3] 0.000000 \n_atom_sites.fract_transf_matrix[2][1] 0.000000 \n_atom_sites.fract_transf_matrix[2][2] 0.014640 \n_atom_sites.fract_transf_matrix[2][3] 0.000000 \n_atom_sites.fract_transf_matrix[3][1] 0.000000 \n_atom_sites.fract_transf_matrix[3][2] 0.000000 \n_atom_sites.fract_transf_matrix[3][3] 0.009683 \n_atom_sites.fract_transf_vector[1] 0.00000 \n_atom_sites.fract_transf_vector[2] 0.00000 \n_atom_sites.fract_transf_vector[3] 0.00000 \n# \nloop_\n_atom_type.symbol \nC \nCL \nF \nN \nO \nS \n# \nloop_\n_atom_site.group_PDB \n_atom_site.id \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.occupancy \n_atom_site.B_iso_or_equiv \n_atom_site.pdbx_formal_charge \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.pdbx_PDB_model_num \nATOM 1 N N . GLN A 1 9 ? -0.023 33.326 -4.411 1.00 47.95 ? 701 GLN A N 1 \nATOM 2 C CA . GLN A 1 9 ? -0.291 31.978 -3.835 1.00 50.95 ? 701 GLN A CA 1 \nATOM 3 C C . GLN A 1 9 ? 0.946 31.062 -3.957 1.00 47.20 ? 701 GLN A C 1 \nATOM 4 O O . GLN A 1 9 ? 0.876 29.863 -3.659 1.00 47.25 ? 701 GLN A O 1 \nATOM 5 C CB . GLN A 1 9 ? -1.501 31.341 -4.517 1.00 64.85 ? 701 GLN A CB 1 \nATOM 6 C CG . GLN A 1 9 ? -2.441 30.619 -3.562 1.00 84.93 ? 701 GLN A CG 1 \nATOM 7 C CD . GLN A 1 9 ? -3.514 29.816 -4.282 1.00 102.47 ? 701 GLN A CD 1 \nATOM 8 O OE1 . GLN A 1 9 ? -4.681 30.215 -4.329 1.00 95.64 ? 701 GLN A OE1 1 \nATOM 9 N NE2 . GLN A 1 9 ? -3.123 28.679 -4.849 1.00 100.38 ? 701 GLN A NE2 1 \nATOM 10 N N . ALA A 1 10 ? 2.069 31.642 -4.384 1.00 45.71 ? 702 ALA A N 1 \nATOM 11 C CA . ALA A 1 10 ? 3.343 30.929 -4.498 1.00 43.17 ? 702 ALA A CA 1 \nATOM 12 C C . ALA A 1 10 ? 3.775 30.322 -3.161 1.00 47.99 ? 702 ALA A C 1 \nATOM 13 O O . ALA A 1 10 ? 3.538 30.924 -2.110 1.00 44.37 ? 702 ALA A O 1 \nATOM 14 C CB . ALA A 1 10 ? 4.416 31.882 -5.023 1.00 42.30 ? 702 ALA A CB 1 \nATOM 15 N N . LEU A 1 11 ? 4.401 29.139 -3.199 1.00 38.24 ? 703 LEU A N 1 \nATOM 16 C CA . LEU A 1 11 ? 5.009 28.552 -2.003 1.00 37.89 ? 703 LEU A CA 1 \nATOM 17 C C . LEU A 1 11 ? 6.142 29.430 -1.494 1.00 37.81 ? 703 LEU A C 1 \nATOM 18 O O . LEU A 1 11 ? 6.222 29.735 -0.302 1.00 39.19 ? 703 LEU A O 1 \nATOM 19 C CB . LEU A 1 11 ? 5.530 27.130 -2.289 1.00 36.07 ? 703 LEU A CB 1 \nATOM 20 C CG . LEU A 1 11 ? 5.658 26.188 -1.082 1.00 46.85 ? 703 LEU A CG 1 \nATOM 21 C CD1 . LEU A 1 11 ? 4.475 26.310 -0.125 1.00 49.71 ? 703 LEU A CD1 1 \nATOM 22 C CD2 . LEU A 1 11 ? 5.791 24.740 -1.541 1.00 44.12 ? 703 LEU A CD2 1 \nATOM 23 N N . LEU A 1 12 ? 7.016 29.822 -2.415 1.00 33.81 ? 704 LEU A N 1 \nATOM 24 C CA . LEU A 1 12 ? 8.054 30.799 -2.155 1.00 32.97 ? 704 LEU A CA 1 \nATOM 25 C C . LEU A 1 12 ? 7.590 32.151 -2.677 1.00 34.88 ? 704 LEU A C 1 \nATOM 26 O O . LEU A 1 12 ? 7.644 32.424 -3.878 1.00 34.62 ? 704 LEU A O 1 \nATOM 27 C CB . LEU A 1 12 ? 9.371 30.386 -2.831 1.00 33.39 ? 704 LEU A CB 1 \nATOM 28 C CG . LEU A 1 12 ? 10.591 31.295 -2.585 1.00 38.51 ? 704 LEU A CG 1 \nATOM 29 C CD1 . LEU A 1 12 ? 10.953 31.361 -1.104 1.00 34.30 ? 704 LEU A CD1 1 \nATOM 30 C CD2 . LEU A 1 12 ? 11.796 30.854 -3.421 1.00 39.10 ? 704 LEU A CD2 1 \nATOM 31 N N . ARG A 1 13 ? 7.120 33.006 -1.775 1.00 35.37 ? 705 ARG A N 1 \nATOM 32 C CA . ARG A 1 13 ? 6.680 34.346 -2.183 1.00 37.73 ? 705 ARG A CA 1 \nATOM 33 C C . ARG A 1 13 ? 7.840 35.253 -2.555 1.00 41.05 ? 705 ARG A C 1 \nATOM 34 O O . ARG A 1 13 ? 8.844 35.319 -1.838 1.00 40.80 ? 705 ARG A O 1 \nATOM 35 C CB . ARG A 1 13 ? 5.837 34.997 -1.093 1.00 46.62 ? 705 ARG A CB 1 \nATOM 36 C CG . ARG A 1 13 ? 4.460 34.388 -0.965 1.00 48.65 ? 705 ARG A CG 1 \nATOM 37 C CD . ARG A 1 13 ? 3.829 34.763 0.358 1.00 65.57 ? 705 ARG A CD 1 \nATOM 38 N NE . ARG A 1 13 ? 2.514 35.377 0.173 1.00 86.68 ? 705 ARG A NE 1 \nATOM 39 C CZ . ARG A 1 13 ? 1.353 34.757 0.356 1.00 93.12 ? 705 ARG A CZ 1 \nATOM 40 N NH1 . ARG A 1 13 ? 1.317 33.485 0.736 1.00 98.53 ? 705 ARG A NH1 1 \nATOM 41 N NH2 . ARG A 1 13 ? 0.220 35.417 0.161 1.00 92.67 ? 705 ARG A NH2 1 \nATOM 42 N N . ILE A 1 14 ? 7.698 35.943 -3.686 1.00 39.60 ? 706 ILE A N 1 \nATOM 43 C CA . ILE A 1 14 ? 8.700 36.898 -4.116 1.00 43.49 ? 706 ILE A CA 1 \nATOM 44 C C . ILE A 1 14 ? 8.207 38.234 -3.610 1.00 47.29 ? 706 ILE A C 1 \nATOM 45 O O . ILE A 1 14 ? 7.260 38.798 -4.160 1.00 44.25 ? 706 ILE A O 1 \nATOM 46 C CB . ILE A 1 14 ? 8.837 36.961 -5.649 1.00 52.42 ? 706 ILE A CB 1 \nATOM 47 C CG1 . ILE A 1 14 ? 9.004 35.559 -6.256 1.00 51.04 ? 706 ILE A CG1 1 \nATOM 48 C CG2 . ILE A 1 14 ? 9.975 37.897 -6.048 1.00 53.78 ? 706 ILE A CG2 1 \nATOM 49 C CD1 . ILE A 1 14 ? 10.122 34.729 -5.654 1.00 43.80 ? 706 ILE A CD1 1 \nATOM 50 N N . LEU A 1 15 ? 8.836 38.729 -2.552 1.00 44.78 ? 707 LEU A N 1 \nATOM 51 C CA . LEU A 1 15 ? 8.365 39.947 -1.911 1.00 45.23 ? 707 LEU A CA 1 \nATOM 52 C C . LEU A 1 15 ? 9.109 41.154 -2.458 1.00 51.28 ? 707 LEU A C 1 \nATOM 53 O O . LEU A 1 15 ? 10.318 41.092 -2.692 1.00 49.23 ? 707 LEU A O 1 \nATOM 54 C CB . LEU A 1 15 ? 8.544 39.881 -0.391 1.00 47.65 ? 707 LEU A CB 1 \nATOM 55 C CG . LEU A 1 15 ? 8.012 38.705 0.428 1.00 54.52 ? 707 LEU A CG 1 \nATOM 56 C CD1 . LEU A 1 15 ? 8.324 38.928 1.896 1.00 43.38 ? 707 LEU A CD1 1 \nATOM 57 C CD2 . LEU A 1 15 ? 6.521 38.497 0.232 1.00 44.93 ? 707 LEU A CD2 1 \nATOM 58 N N . LYS A 1 16 ? 8.366 42.237 -2.676 1.00 49.18 ? 708 LYS A N 1 \nATOM 59 C CA . LYS A 1 16 ? 8.936 43.529 -3.035 1.00 61.50 ? 708 LYS A CA 1 \nATOM 60 C C . LYS A 1 16 ? 9.393 44.224 -1.768 1.00 50.76 ? 708 LYS A C 1 \nATOM 61 O O . LYS A 1 16 ? 8.770 44.070 -0.717 1.00 45.43 ? 708 LYS A O 1 \nATOM 62 C CB . LYS A 1 16 ? 7.891 44.407 -3.729 1.00 62.24 ? 708 LYS A CB 1 \nATOM 63 C CG . LYS A 1 16 ? 7.556 44.004 -5.157 1.00 77.38 ? 708 LYS A CG 1 \nATOM 64 C CD . LYS A 1 16 ? 6.048 43.943 -5.381 1.00 92.20 ? 708 LYS A CD 1 \nATOM 65 C CE . LYS A 1 16 ? 5.334 45.228 -4.984 1.00 96.25 ? 708 LYS A CE 1 \nATOM 66 N NZ . LYS A 1 16 ? 3.853 45.097 -5.081 1.00 100.00 ? 708 LYS A NZ 1 \nATOM 67 N N . GLU A 1 17 ? 10.473 44.994 -1.879 1.00 51.48 ? 709 GLU A N 1 \nATOM 68 C CA . GLU A 1 17 ? 11.019 45.768 -0.758 1.00 53.55 ? 709 GLU A CA 1 \nATOM 69 C C . GLU A 1 17 ? 9.963 46.612 -0.044 1.00 57.51 ? 709 GLU A C 1 \nATOM 70 O O . GLU A 1 17 ? 10.016 46.795 1.175 1.00 53.23 ? 709 GLU A O 1 \nATOM 71 C CB . GLU A 1 17 ? 12.169 46.651 -1.235 1.00 59.31 ? 709 GLU A CB 1 \nATOM 72 C CG . GLU A 1 17 ? 13.434 45.873 -1.562 1.00 72.06 ? 709 GLU A CG 1 \nATOM 73 C CD . GLU A 1 17 ? 14.597 46.768 -1.940 1.00 93.68 ? 709 GLU A CD 1 \nATOM 74 O OE1 . GLU A 1 17 ? 15.553 46.867 -1.141 1.00 83.68 ? 709 GLU A OE1 1 \nATOM 75 O OE2 . GLU A 1 17 ? 14.556 47.370 -3.037 1.00 102.62 ? 709 GLU A OE2 1 \nATOM 76 N N . THR A 1 18 ? 9.000 47.113 -0.809 1.00 57.55 ? 710 THR A N 1 \nATOM 77 C CA . THR A 1 18 ? 7.909 47.910 -0.252 1.00 61.28 ? 710 THR A CA 1 \nATOM 78 C C . THR A 1 18 ? 6.964 47.093 0.638 1.00 54.24 ? 710 THR A C 1 \nATOM 79 O O . THR A 1 18 ? 6.198 47.661 1.416 1.00 57.81 ? 710 THR A O 1 \nATOM 80 C CB . THR A 1 18 ? 7.093 48.606 -1.364 1.00 63.46 ? 710 THR A CB 1 \nATOM 81 O OG1 . THR A 1 18 ? 6.576 47.624 -2.275 1.00 63.38 ? 710 THR A OG1 1 \nATOM 82 C CG2 . THR A 1 18 ? 7.958 49.614 -2.128 1.00 61.93 ? 710 THR A CG2 1 \nATOM 83 N N . GLU A 1 19 ? 7.034 45.765 0.530 1.00 50.22 ? 711 GLU A N 1 \nATOM 84 C CA . GLU A 1 19 ? 6.124 44.862 1.239 1.00 56.68 ? 711 GLU A CA 1 \nATOM 85 C C . GLU A 1 19 ? 6.551 44.536 2.659 1.00 57.72 ? 711 GLU A C 1 \nATOM 86 O O . GLU A 1 19 ? 5.754 44.024 3.451 1.00 52.39 ? 711 GLU A O 1 \nATOM 87 C CB . GLU A 1 19 ? 6.023 43.535 0.507 1.00 61.93 ? 711 GLU A CB 1 \nATOM 88 C CG . GLU A 1 19 ? 5.118 43.514 -0.698 1.00 62.49 ? 711 GLU A CG 1 \nATOM 89 C CD . GLU A 1 19 ? 5.016 42.116 -1.252 1.00 59.26 ? 711 GLU A CD 1 \nATOM 90 O OE1 . GLU A 1 19 ? 5.574 41.880 -2.337 1.00 54.03 ? 711 GLU A OE1 1 \nATOM 91 O OE2 . GLU A 1 19 ? 4.413 41.250 -0.581 1.00 74.56 ? 711 GLU A OE2 1 \nATOM 92 N N . PHE A 1 20 ? 7.816 44.782 2.967 1.00 48.75 ? 712 PHE A N 1 \nATOM 93 C CA . PHE A 1 20 ? 8.343 44.449 4.291 1.00 54.26 ? 712 PHE A CA 1 \nATOM 94 C C . PHE A 1 20 ? 9.321 45.508 4.795 1.00 45.27 ? 712 PHE A C 1 \nATOM 95 O O . PHE A 1 20 ? 9.920 46.235 4.000 1.00 48.92 ? 712 PHE A O 1 \nATOM 96 C CB . PHE A 1 20 ? 8.976 43.045 4.294 1.00 46.56 ? 712 PHE A CB 1 \nATOM 97 C CG . PHE A 1 20 ? 10.222 42.928 3.457 1.00 42.91 ? 712 PHE A CG 1 \nATOM 98 C CD1 . PHE A 1 20 ? 11.483 43.010 4.046 1.00 51.07 ? 712 PHE A CD1 1 \nATOM 99 C CD2 . PHE A 1 20 ? 10.147 42.734 2.077 1.00 46.22 ? 712 PHE A CD2 1 \nATOM 100 C CE1 . PHE A 1 20 ? 12.644 42.902 3.285 1.00 44.32 ? 712 PHE A CE1 1 \nATOM 101 C CE2 . PHE A 1 20 ? 11.308 42.632 1.312 1.00 42.45 ? 712 PHE A CE2 1 \nATOM 102 C CZ . PHE A 1 20 ? 12.558 42.714 1.917 1.00 46.72 ? 712 PHE A CZ 1 \nATOM 103 N N . LYS A 1 21 ? 9.481 45.577 6.115 1.00 46.12 ? 713 LYS A N 1 \nATOM 104 C CA . LYS A 1 21 ? 10.320 46.606 6.756 1.00 45.30 ? 713 LYS A CA 1 \nATOM 105 C C . LYS A 1 21 ? 11.170 46.000 7.867 1.00 49.56 ? 713 LYS A C 1 \nATOM 106 O O . LYS A 1 21 ? 10.647 45.280 8.717 1.00 45.46 ? 713 LYS A O 1 \nATOM 107 C CB . LYS A 1 21 ? 9.456 47.720 7.356 1.00 49.90 ? 713 LYS A CB 1 \nATOM 108 C CG . LYS A 1 21 ? 8.771 48.628 6.353 1.00 61.39 ? 713 LYS A CG 1 \nATOM 109 C CD . LYS A 1 21 ? 7.824 49.599 7.050 1.00 81.27 ? 713 LYS A CD 1 \nATOM 110 C CE . LYS A 1 21 ? 6.888 50.280 6.056 1.00 69.86 ? 713 LYS A CE 1 \nATOM 111 N NZ . LYS A 1 21 ? 6.043 51.324 6.705 1.00 75.33 ? 713 LYS A NZ 1 \nATOM 112 N N . LYS A 1 22 ? 12.471 46.301 7.847 1.00 42.35 ? 714 LYS A N 1 \nATOM 113 C CA . LYS A 1 22 ? 13.389 45.951 8.930 1.00 46.11 ? 714 LYS A CA 1 \nATOM 114 C C . LYS A 1 22 ? 13.160 46.943 10.061 1.00 49.85 ? 714 LYS A C 1 \nATOM 115 O O . LYS A 1 22 ? 13.256 48.154 9.856 1.00 46.66 ? 714 LYS A O 1 \nATOM 116 C CB . LYS A 1 22 ? 14.845 46.063 8.477 1.00 49.54 ? 714 LYS A CB 1 \nATOM 117 C CG . LYS A 1 22 ? 15.287 45.129 7.369 1.00 53.76 ? 714 LYS A CG 1 \nATOM 118 C CD . LYS A 1 22 ? 16.780 45.310 7.156 1.00 53.79 ? 714 LYS A CD 1 \nATOM 119 C CE . LYS A 1 22 ? 17.258 44.686 5.862 1.00 52.83 ? 714 LYS A CE 1 \nATOM 120 N NZ . LYS A 1 22 ? 16.787 45.457 4.676 1.00 51.68 ? 714 LYS A NZ 1 \nATOM 121 N N . ILE A 1 23 ? 12.852 46.439 11.251 1.00 41.67 ? 715 ILE A N 1 \nATOM 122 C CA . ILE A 1 23 ? 12.489 47.317 12.368 1.00 48.15 ? 715 ILE A CA 1 \nATOM 123 C C . ILE A 1 23 ? 13.658 47.486 13.336 1.00 52.85 ? 715 ILE A C 1 \nATOM 124 O O . ILE A 1 23 ? 14.015 48.611 13.693 1.00 49.85 ? 715 ILE A O 1 \nATOM 125 C CB . ILE A 1 23 ? 11.191 46.843 13.061 1.00 41.49 ? 715 ILE A CB 1 \nATOM 126 C CG1 . ILE A 1 23 ? 10.029 47.003 12.077 1.00 54.99 ? 715 ILE A CG1 1 \nATOM 127 C CG2 . ILE A 1 23 ? 10.918 47.629 14.339 1.00 47.96 ? 715 ILE A CG2 1 \nATOM 128 C CD1 . ILE A 1 23 ? 8.670 46.667 12.641 1.00 54.20 ? 715 ILE A CD1 1 \nATOM 129 N N . LYS A 1 24 ? 14.260 46.369 13.744 1.00 43.46 ? 716 LYS A N 1 \nATOM 130 C CA . LYS A 1 24 ? 15.429 46.392 14.621 1.00 42.49 ? 716 LYS A CA 1 \nATOM 131 C C . LYS A 1 24 ? 16.392 45.271 14.247 1.00 45.76 ? 716 LYS A C 1 \nATOM 132 O O . LYS A 1 24 ? 15.983 44.237 13.719 1.00 37.65 ? 716 LYS A O 1 \nATOM 133 C CB . LYS A 1 24 ? 15.018 46.242 16.094 1.00 41.41 ? 716 LYS A CB 1 \nATOM 134 C CG . LYS A 1 24 ? 14.316 47.443 16.710 1.00 50.17 ? 716 LYS A CG 1 \nATOM 135 C CD . LYS A 1 24 ? 15.288 48.548 17.111 1.00 45.61 ? 716 LYS A CD 1 \nATOM 136 C CE . LYS A 1 24 ? 14.606 49.912 17.154 1.00 50.59 ? 716 LYS A CE 1 \nATOM 137 N NZ . LYS A 1 24 ? 13.715 50.066 18.332 1.00 57.19 ? 716 LYS A NZ 1 \nATOM 138 N N . VAL A 1 25 ? 17.673 45.475 14.541 1.00 41.16 ? 717 VAL A N 1 \nATOM 139 C CA . VAL A 1 25 ? 18.678 44.442 14.362 1.00 44.05 ? 717 VAL A CA 1 \nATOM 140 C C . VAL A 1 25 ? 18.537 43.387 15.446 1.00 43.45 ? 717 VAL A C 1 \nATOM 141 O O . VAL A 1 25 ? 18.310 43.709 16.608 1.00 42.18 ? 717 VAL A O 1 \nATOM 142 C CB . VAL A 1 25 ? 20.107 45.009 14.449 1.00 51.16 ? 717 VAL A CB 1 \nATOM 143 C CG1 . VAL A 1 25 ? 21.126 43.887 14.314 1.00 47.71 ? 717 VAL A CG1 1 \nATOM 144 C CG2 . VAL A 1 25 ? 20.336 46.059 13.379 1.00 50.70 ? 717 VAL A CG2 1 \nATOM 145 N N . LEU A 1 26 ? 18.670 42.119 15.068 1.00 37.54 ? 718 LEU A N 1 \nATOM 146 C CA . LEU A 1 26 ? 18.797 41.074 16.067 1.00 33.15 ? 718 LEU A CA 1 \nATOM 147 C C . LEU A 1 26 ? 20.279 40.757 16.246 1.00 37.30 ? 718 LEU A C 1 \nATOM 148 O O . LEU A 1 26 ? 20.810 40.967 17.326 1.00 35.69 ? 718 LEU A O 1 \nATOM 149 C CB . LEU A 1 26 ? 17.938 39.850 15.721 1.00 36.59 ? 718 LEU A CB 1 \nATOM 150 C CG . LEU A 1 26 ? 16.428 40.166 15.737 1.00 36.86 ? 718 LEU A CG 1 \nATOM 151 C CD1 . LEU A 1 26 ? 15.544 39.021 15.239 1.00 37.85 ? 718 LEU A CD1 1 \nATOM 152 C CD2 . LEU A 1 26 ? 15.991 40.593 17.131 1.00 43.64 ? 718 LEU A CD2 1 \nATOM 153 N N . GLY A 1 27 ? 20.953 40.292 15.192 1.00 36.46 ? 719 GLY A N 1 \nATOM 154 C CA . GLY A 1 27 ? 22.388 39.991 15.276 1.00 44.27 ? 719 GLY A CA 1 \nATOM 155 C C . GLY A 1 27 ? 23.000 39.439 14.002 1.00 57.08 ? 719 GLY A C 1 \nATOM 156 O O . GLY A 1 27 ? 22.282 39.077 13.066 1.00 53.06 ? 719 GLY A O 1 \nATOM 157 N N . SER A 1 28 ? 24.332 39.364 13.984 1.00 50.75 ? 720 SER A N 1 \nATOM 158 C CA . SER A 1 28 ? 25.091 38.813 12.856 1.00 51.92 ? 720 SER A CA 1 \nATOM 159 C C . SER A 1 28 ? 25.623 37.404 13.118 1.00 49.94 ? 720 SER A C 1 \nATOM 160 O O . SER A 1 28 ? 25.669 36.937 14.256 1.00 55.24 ? 720 SER A O 1 \nATOM 161 C CB . SER A 1 28 ? 26.258 39.736 12.495 1.00 63.92 ? 720 SER A CB 1 \nATOM 162 O OG . SER A 1 28 ? 25.807 40.883 11.797 1.00 68.03 ? 720 SER A OG 1 \nATOM 163 N N . GLY A 1 29 ? 26.029 36.737 12.043 1.00 57.18 ? 721 GLY A N 1 \nATOM 164 C CA . GLY A 1 29 ? 26.598 35.399 12.113 1.00 57.01 ? 721 GLY A CA 1 \nATOM 165 C C . GLY A 1 29 ? 27.510 35.199 10.922 1.00 63.27 ? 721 GLY A C 1 \nATOM 166 O O . GLY A 1 29 ? 27.672 36.108 10.098 1.00 61.34 ? 721 GLY A O 1 \nATOM 167 N N . ALA A 1 30 ? 28.107 34.012 10.835 1.00 71.41 ? 722 ALA A N 1 \nATOM 168 C CA . ALA A 1 30 ? 28.983 33.644 9.716 1.00 73.15 ? 722 ALA A CA 1 \nATOM 169 C C . ALA A 1 30 ? 28.313 33.834 8.352 1.00 71.72 ? 722 ALA A C 1 \nATOM 170 O O . ALA A 1 30 ? 28.929 34.359 7.417 1.00 59.12 ? 722 ALA A O 1 \nATOM 171 C CB . ALA A 1 30 ? 29.472 32.207 9.870 1.00 75.65 ? 722 ALA A CB 1 \nATOM 172 N N . PHE A 1 31 ? 27.048 33.425 8.245 1.00 55.28 ? 723 PHE A N 1 \nATOM 173 C CA . PHE A 1 31 ? 26.364 33.451 6.959 1.00 45.36 ? 723 PHE A CA 1 \nATOM 174 C C . PHE A 1 31 ? 25.582 34.728 6.671 1.00 48.16 ? 723 PHE A C 1 \nATOM 175 O O . PHE A 1 31 ? 25.209 34.967 5.523 1.00 48.85 ? 723 PHE A O 1 \nATOM 176 C CB . PHE A 1 31 ? 25.478 32.207 6.773 1.00 54.29 ? 723 PHE A CB 1 \nATOM 177 C CG . PHE A 1 31 ? 26.238 30.908 6.806 1.00 54.47 ? 723 PHE A CG 1 \nATOM 178 C CD1 . PHE A 1 31 ? 25.767 29.831 7.558 1.00 50.67 ? 723 PHE A CD1 1 \nATOM 179 C CD2 . PHE A 1 31 ? 27.441 30.759 6.102 1.00 49.42 ? 723 PHE A CD2 1 \nATOM 180 C CE1 . PHE A 1 31 ? 26.475 28.635 7.608 1.00 55.72 ? 723 PHE A CE1 1 \nATOM 181 C CE2 . PHE A 1 31 ? 28.142 29.562 6.141 1.00 43.55 ? 723 PHE A CE2 1 \nATOM 182 C CZ . PHE A 1 31 ? 27.667 28.504 6.905 1.00 48.56 ? 723 PHE A CZ 1 \nATOM 183 N N . GLY A 1 32 ? 25.325 35.543 7.693 1.00 43.86 ? 724 GLY A N 1 \nATOM 184 C CA . GLY A 1 32 ? 24.590 36.788 7.469 1.00 31.49 ? 724 GLY A CA 1 \nATOM 185 C C . GLY A 1 32 ? 24.017 37.449 8.711 1.00 41.98 ? 724 GLY A C 1 \nATOM 186 O O . GLY A 1 32 ? 24.322 37.039 9.836 1.00 47.37 ? 724 GLY A O 1 \nATOM 187 N N . THR A 1 33 ? 23.156 38.446 8.488 1.00 38.68 ? 725 THR A N 1 \nATOM 188 C CA . THR A 1 33 ? 22.603 39.310 9.542 1.00 38.78 ? 725 THR A CA 1 \nATOM 189 C C . THR A 1 33 ? 21.065 39.285 9.625 1.00 38.49 ? 725 THR A C 1 \nATOM 190 O O . THR A 1 33 ? 20.391 39.449 8.608 1.00 33.98 ? 725 THR A O 1 \nATOM 191 C CB . THR A 1 33 ? 23.053 40.762 9.320 1.00 49.97 ? 725 THR A CB 1 \nATOM 192 O OG1 . THR A 1 33 ? 24.483 40.810 9.375 1.00 46.95 ? 725 THR A OG1 1 \nATOM 193 C CG2 . THR A 1 33 ? 22.472 41.700 10.383 1.00 44.75 ? 725 THR A CG2 1 \nATOM 194 N N . VAL A 1 34 ? 20.534 39.134 10.842 1.00 32.51 ? 726 VAL A N 1 \nATOM 195 C CA . VAL A 1 34 ? 19.070 38.979 11.051 1.00 35.80 ? 726 VAL A CA 1 \nATOM 196 C C . VAL A 1 34 ? 18.414 40.191 11.729 1.00 34.03 ? 726 VAL A C 1 \nATOM 197 O O . VAL A 1 34 ? 18.988 40.751 12.672 1.00 34.12 ? 726 VAL A O 1 \nATOM 198 C CB . VAL A 1 34 ? 18.745 37.679 11.833 1.00 33.62 ? 726 VAL A CB 1 \nATOM 199 C CG1 . VAL A 1 34 ? 17.231 37.439 11.869 1.00 35.20 ? 726 VAL A CG1 1 \nATOM 200 C CG2 . VAL A 1 34 ? 19.400 36.488 11.163 1.00 37.39 ? 726 VAL A CG2 1 \nATOM 201 N N . TYR A 1 35 ? 17.215 40.566 11.254 1.00 33.84 ? 727 TYR A N 1 \nATOM 202 C CA . TYR A 1 35 ? 16.439 41.698 11.760 1.00 32.33 ? 727 TYR A CA 1 \nATOM 203 C C . TYR A 1 35 ? 15.042 41.252 12.170 1.00 37.12 ? 727 TYR A C 1 \nATOM 204 O O . TYR A 1 35 ? 14.463 40.338 11.555 1.00 34.66 ? 727 TYR A O 1 \nATOM 205 C CB . TYR A 1 35 ? 16.246 42.780 10.672 1.00 34.43 ? 727 TYR A CB 1 \nATOM 206 C CG . TYR A 1 35 ? 17.514 43.312 10.073 1.00 40.06 ? 727 TYR A CG 1 \nATOM 207 C CD1 . TYR A 1 35 ? 18.048 44.535 10.495 1.00 44.66 ? 727 TYR A CD1 1 \nATOM 208 C CD2 . TYR A 1 35 ? 18.204 42.586 9.100 1.00 48.07 ? 727 TYR A CD2 1 \nATOM 209 C CE1 . TYR A 1 35 ? 19.233 45.017 9.958 1.00 40.67 ? 727 TYR A CE1 1 \nATOM 210 C CE2 . TYR A 1 35 ? 19.393 43.057 8.559 1.00 45.69 ? 727 TYR A CE2 1 \nATOM 211 C CZ . TYR A 1 35 ? 19.897 44.277 8.987 1.00 50.79 ? 727 TYR A CZ 1 \nATOM 212 O OH . TYR A 1 35 ? 21.076 44.738 8.449 1.00 40.87 ? 727 TYR A OH 1 \nATOM 213 N N . LYS A 1 36 ? 14.496 41.908 13.186 1.00 31.04 ? 728 LYS A N 1 \nATOM 214 C CA . LYS A 1 36 ? 13.046 41.836 13.452 1.00 34.53 ? 728 LYS A CA 1 \nATOM 215 C C . LYS A 1 36 ? 12.362 42.756 12.451 1.00 38.87 ? 728 LYS A C 1 \nATOM 216 O O . LYS A 1 36 ? 12.862 43.841 12.167 1.00 39.43 ? 728 LYS A O 1 \nATOM 217 C CB . LYS A 1 36 ? 12.735 42.293 14.875 1.00 39.98 ? 728 LYS A CB 1 \nATOM 218 C CG . LYS A 1 36 ? 11.263 42.187 15.275 1.00 50.05 ? 728 LYS A CG 1 \nATOM 219 C CD . LYS A 1 36 ? 10.997 42.809 16.640 1.00 41.41 ? 728 LYS A CD 1 \nATOM 220 C CE . LYS A 1 36 ? 10.879 44.322 16.557 1.00 49.69 ? 728 LYS A CE 1 \nATOM 221 N NZ . LYS A 1 36 ? 10.778 44.921 17.913 1.00 50.16 ? 728 LYS A NZ 1 \nATOM 222 N N . GLY A 1 37 ? 11.222 42.334 11.912 1.00 38.44 ? 729 GLY A N 1 \nATOM 223 C CA . GLY A 1 37 ? 10.526 43.156 10.939 1.00 40.01 ? 729 GLY A CA 1 \nATOM 224 C C . GLY A 1 37 ? 9.034 42.913 10.861 1.00 36.82 ? 729 GLY A C 1 \nATOM 225 O O . GLY A 1 37 ? 8.488 42.144 11.635 1.00 33.00 ? 729 GLY A O 1 \nATOM 226 N N . LEU A 1 38 ? 8.388 43.608 9.930 1.00 42.24 ? 730 LEU A N 1 \nATOM 227 C CA . LEU A 1 38 ? 6.978 43.392 9.627 1.00 41.16 ? 730 LEU A CA 1 \nATOM 228 C C . LEU A 1 38 ? 6.790 43.121 8.139 1.00 37.54 ? 730 LEU A C 1 \nATOM 229 O O . LEU A 1 38 ? 7.381 43.794 7.295 1.00 43.28 ? 730 LEU A O 1 \nATOM 230 C CB . LEU A 1 38 ? 6.128 44.602 10.042 1.00 55.61 ? 730 LEU A CB 1 \nATOM 231 C CG . LEU A 1 38 ? 5.797 44.815 11.522 1.00 54.61 ? 730 LEU A CG 1 \nATOM 232 C CD1 . LEU A 1 38 ? 5.056 46.134 11.690 1.00 55.22 ? 730 LEU A CD1 1 \nATOM 233 C CD2 . LEU A 1 38 ? 4.985 43.665 12.105 1.00 62.65 ? 730 LEU A CD2 1 \nATOM 234 N N . TRP A 1 39 ? 5.976 42.119 7.831 1.00 42.21 ? 731 TRP A N 1 \nATOM 235 C CA . TRP A 1 39 ? 5.575 41.865 6.463 1.00 38.29 ? 731 TRP A CA 1 \nATOM 236 C C . TRP A 1 39 ? 4.115 42.307 6.264 1.00 44.54 ? 731 TRP A C 1 \nATOM 237 O O . TRP A 1 39 ? 3.205 41.854 6.974 1.00 40.95 ? 731 TRP A O 1 \nATOM 238 C CB . TRP A 1 39 ? 5.791 40.400 6.085 1.00 44.76 ? 731 TRP A CB 1 \nATOM 239 C CG . TRP A 1 39 ? 5.239 40.023 4.741 1.00 49.04 ? 731 TRP A CG 1 \nATOM 240 C CD1 . TRP A 1 39 ? 5.266 40.773 3.595 1.00 56.68 ? 731 TRP A CD1 1 \nATOM 241 C CD2 . TRP A 1 39 ? 4.591 38.792 4.399 1.00 57.71 ? 731 TRP A CD2 1 \nATOM 242 N NE1 . TRP A 1 39 ? 4.663 40.089 2.569 1.00 61.09 ? 731 TRP A NE1 1 \nATOM 243 C CE2 . TRP A 1 39 ? 4.244 38.869 3.032 1.00 55.11 ? 731 TRP A CE2 1 \nATOM 244 C CE3 . TRP A 1 39 ? 4.266 37.631 5.118 1.00 50.16 ? 731 TRP A CE3 1 \nATOM 245 C CZ2 . TRP A 1 39 ? 3.587 37.833 2.369 1.00 65.58 ? 731 TRP A CZ2 1 \nATOM 246 C CZ3 . TRP A 1 39 ? 3.615 36.603 4.461 1.00 59.33 ? 731 TRP A CZ3 1 \nATOM 247 C CH2 . TRP A 1 39 ? 3.276 36.713 3.098 1.00 60.58 ? 731 TRP A CH2 1 \nATOM 248 N N . ILE A 1 40 ? 3.936 43.209 5.304 1.00 46.64 ? 732 ILE A N 1 \nATOM 249 C CA . ILE A 1 40 ? 2.625 43.709 4.887 1.00 54.61 ? 732 ILE A CA 1 \nATOM 250 C C . ILE A 1 40 ? 2.347 43.178 3.476 1.00 52.31 ? 732 ILE A C 1 \nATOM 251 O O . ILE A 1 40 ? 2.779 43.779 2.492 1.00 58.58 ? 732 ILE A O 1 \nATOM 252 C CB . ILE A 1 40 ? 2.602 45.255 4.904 1.00 54.63 ? 732 ILE A CB 1 \nATOM 253 C CG1 . ILE A 1 40 ? 3.132 45.776 6.246 1.00 54.82 ? 732 ILE A CG1 1 \nATOM 254 C CG2 . ILE A 1 40 ? 1.194 45.787 4.641 1.00 66.79 ? 732 ILE A CG2 1 \nATOM 255 C CD1 . ILE A 1 40 ? 3.898 47.083 6.154 1.00 59.18 ? 732 ILE A CD1 1 \nATOM 256 N N . PRO A 1 41 ? 1.668 42.016 3.370 1.00 54.05 ? 733 PRO A N 1 \nATOM 257 C CA . PRO A 1 41 ? 1.327 41.500 2.042 1.00 58.55 ? 733 PRO A CA 1 \nATOM 258 C C . PRO A 1 41 ? 0.630 42.595 1.229 1.00 65.49 ? 733 PRO A C 1 \nATOM 259 O O . PRO A 1 41 ? -0.188 43.342 1.778 1.00 49.96 ? 733 PRO A O 1 \nATOM 260 C CB . PRO A 1 41 ? 0.373 40.346 2.348 1.00 64.25 ? 733 PRO A CB 1 \nATOM 261 C CG . PRO A 1 41 ? 0.768 39.882 3.707 1.00 61.88 ? 733 PRO A CG 1 \nATOM 262 C CD . PRO A 1 41 ? 1.226 41.110 4.446 1.00 62.75 ? 733 PRO A CD 1 \nATOM 263 N N . GLU A 1 42 ? 0.979 42.695 -0.052 1.00 70.24 ? 734 GLU A N 1 \nATOM 264 C CA . GLU A 1 42 ? 0.686 43.884 -0.872 1.00 94.73 ? 734 GLU A CA 1 \nATOM 265 C C . GLU A 1 42 ? -0.777 44.355 -0.899 1.00 97.63 ? 734 GLU A C 1 \nATOM 266 O O . GLU A 1 42 ? -1.074 45.485 -0.500 1.00 94.38 ? 734 GLU A O 1 \nATOM 267 C CB . GLU A 1 42 ? 1.246 43.724 -2.298 1.00 109.10 ? 734 GLU A CB 1 \nATOM 268 C CG . GLU A 1 42 ? 1.023 42.356 -2.932 1.00 121.90 ? 734 GLU A CG 1 \nATOM 269 C CD . GLU A 1 42 ? 2.032 42.040 -4.022 1.00 137.46 ? 734 GLU A CD 1 \nATOM 270 O OE1 . GLU A 1 42 ? 2.181 42.851 -4.963 1.00 133.69 ? 734 GLU A OE1 1 \nATOM 271 O OE2 . GLU A 1 42 ? 2.677 40.973 -3.941 1.00 133.05 ? 734 GLU A OE2 1 \nATOM 272 N N . GLY A 1 43 ? -1.679 43.493 -1.356 1.00 77.00 ? 735 GLY A N 1 \nATOM 273 C CA . GLY A 1 43 ? -3.081 43.876 -1.524 1.00 102.31 ? 735 GLY A CA 1 \nATOM 274 C C . GLY A 1 43 ? -3.886 43.756 -0.246 1.00 94.49 ? 735 GLY A C 1 \nATOM 275 O O . GLY A 1 43 ? -4.924 44.398 -0.090 1.00 87.16 ? 735 GLY A O 1 \nATOM 276 N N . GLU A 1 44 ? -3.388 42.942 0.677 1.00 84.67 ? 736 GLU A N 1 \nATOM 277 C CA . GLU A 1 44 ? -4.127 42.579 1.880 1.00 78.16 ? 736 GLU A CA 1 \nATOM 278 C C . GLU A 1 44 ? -4.024 43.678 2.935 1.00 83.43 ? 736 GLU A C 1 \nATOM 279 O O . GLU A 1 44 ? -3.373 44.703 2.709 1.00 81.42 ? 736 GLU A O 1 \nATOM 280 C CB . GLU A 1 44 ? -3.615 41.237 2.397 1.00 81.23 ? 736 GLU A CB 1 \nATOM 281 C CG . GLU A 1 44 ? -3.274 40.281 1.260 1.00 77.57 ? 736 GLU A CG 1 \nATOM 282 C CD . GLU A 1 44 ? -2.886 38.898 1.726 1.00 87.99 ? 736 GLU A CD 1 \nATOM 283 O OE1 . GLU A 1 44 ? -1.955 38.315 1.129 1.00 79.62 ? 736 GLU A OE1 1 \nATOM 284 O OE2 . GLU A 1 44 ? -3.512 38.390 2.680 1.00 96.84 ? 736 GLU A OE2 1 \nATOM 285 N N . LYS A 1 45 ? -4.679 43.481 4.076 1.00 74.52 ? 737 LYS A N 1 \nATOM 286 C CA . LYS A 1 45 ? -4.699 44.519 5.107 1.00 87.38 ? 737 LYS A CA 1 \nATOM 287 C C . LYS A 1 45 ? -4.260 44.016 6.485 1.00 96.71 ? 737 LYS A C 1 \nATOM 288 O O . LYS A 1 45 ? -4.977 44.181 7.477 1.00 109.85 ? 737 LYS A O 1 \nATOM 289 C CB . LYS A 1 45 ? -6.077 45.199 5.170 1.00 102.72 ? 737 LYS A CB 1 \nATOM 290 C CG . LYS A 1 45 ? -6.406 46.051 3.949 1.00 109.69 ? 737 LYS A CG 1 \nATOM 291 C CD . LYS A 1 45 ? -7.648 46.936 4.172 1.00 118.48 ? 737 LYS A CD 1 \nATOM 292 C CE . LYS A 1 45 ? -7.282 48.276 4.851 1.00 123.12 ? 737 LYS A CE 1 \nATOM 293 N NZ . LYS A 1 45 ? -8.538 49.108 5.062 1.00 124.87 ? 737 LYS A NZ 1 \nATOM 294 N N . VAL A 1 46 ? -3.074 43.406 6.534 1.00 81.63 ? 738 VAL A N 1 \nATOM 295 C CA . VAL A 1 46 ? -2.501 42.891 7.786 1.00 70.23 ? 738 VAL A CA 1 \nATOM 296 C C . VAL A 1 46 ? -0.992 43.163 7.922 1.00 67.18 ? 738 VAL A C 1 \nATOM 297 O O . VAL A 1 46 ? -0.292 43.394 6.933 1.00 49.00 ? 738 VAL A O 1 \nATOM 298 C CB . VAL A 1 46 ? -2.770 41.373 7.985 1.00 75.03 ? 738 VAL A CB 1 \nATOM 299 C CG1 . VAL A 1 46 ? -4.250 41.103 8.236 1.00 86.92 ? 738 VAL A CG1 1 \nATOM 300 C CG2 . VAL A 1 46 ? -2.252 40.551 6.808 1.00 64.70 ? 738 VAL A CG2 1 \nATOM 301 N N . LYS A 1 47 ? -0.516 43.146 9.165 1.00 59.40 ? 739 LYS A N 1 \nATOM 302 C CA . LYS A 1 47 ? 0.904 43.256 9.475 1.00 60.90 ? 739 LYS A CA 1 \nATOM 303 C C . LYS A 1 47 ? 1.318 41.933 10.119 1.00 50.28 ? 739 LYS A C 1 \nATOM 304 O O . LYS A 1 47 ? 0.703 41.504 11.090 1.00 49.12 ? 739 LYS A O 1 \nATOM 305 C CB . LYS A 1 47 ? 1.147 44.419 10.443 1.00 54.97 ? 739 LYS A CB 1 \nATOM 306 C CG . LYS A 1 47 ? 0.870 45.811 9.886 1.00 67.55 ? 739 LYS A CG 1 \nATOM 307 C CD . LYS A 1 47 ? 0.807 46.815 11.029 1.00 68.22 ? 739 LYS A CD 1 \nATOM 308 C CE . LYS A 1 47 ? 0.849 48.258 10.555 1.00 69.70 ? 739 LYS A CE 1 \nATOM 309 N NZ . LYS A 1 47 ? 0.897 49.182 11.726 1.00 63.68 ? 739 LYS A NZ 1 \nATOM 310 N N . ILE A 1 48 ? 2.334 41.275 9.569 1.00 53.92 ? 740 ILE A N 1 \nATOM 311 C CA . ILE A 1 48 ? 2.775 39.976 10.098 1.00 43.42 ? 740 ILE A CA 1 \nATOM 312 C C . ILE A 1 48 ? 4.222 40.069 10.602 1.00 38.89 ? 740 ILE A C 1 \nATOM 313 O O . ILE A 1 48 ? 5.111 40.395 9.830 1.00 37.20 ? 740 ILE A O 1 \nATOM 314 C CB . ILE A 1 48 ? 2.637 38.847 9.043 1.00 47.72 ? 740 ILE A CB 1 \nATOM 315 C CG1 . ILE A 1 48 ? 1.192 38.754 8.531 1.00 44.69 ? 740 ILE A CG1 1 \nATOM 316 C CG2 . ILE A 1 48 ? 3.097 37.499 9.607 1.00 42.82 ? 740 ILE A CG2 1 \nATOM 317 C CD1 . ILE A 1 48 ? 1.076 38.138 7.152 1.00 46.45 ? 740 ILE A CD1 1 \nATOM 318 N N . PRO A 1 49 ? 4.452 39.781 11.897 1.00 40.77 ? 741 PRO A N 1 \nATOM 319 C CA . PRO A 1 49 ? 5.827 39.786 12.440 1.00 39.30 ? 741 PRO A CA 1 \nATOM 320 C C . PRO A 1 49 ? 6.717 38.738 11.759 1.00 38.75 ? 741 PRO A C 1 \nATOM 321 O O . PRO A 1 49 ? 6.362 37.551 11.684 1.00 38.50 ? 741 PRO A O 1 \nATOM 322 C CB . PRO A 1 49 ? 5.632 39.455 13.923 1.00 38.97 ? 741 PRO A CB 1 \nATOM 323 C CG . PRO A 1 49 ? 4.153 39.637 14.186 1.00 41.99 ? 741 PRO A CG 1 \nATOM 324 C CD . PRO A 1 49 ? 3.478 39.309 12.893 1.00 42.15 ? 741 PRO A CD 1 \nATOM 325 N N . VAL A 1 50 ? 7.853 39.202 11.251 1.00 38.86 ? 742 VAL A N 1 \nATOM 326 C CA . VAL A 1 50 ? 8.786 38.356 10.514 1.00 38.13 ? 742 VAL A CA 1 \nATOM 327 C C . VAL A 1 50 ? 10.231 38.581 11.005 1.00 34.95 ? 742 VAL A C 1 \nATOM 328 O O . VAL A 1 50 ? 10.561 39.632 11.583 1.00 34.01 ? 742 VAL A O 1 \nATOM 329 C CB . VAL A 1 50 ? 8.687 38.599 8.982 1.00 37.29 ? 742 VAL A CB 1 \nATOM 330 C CG1 . VAL A 1 50 ? 7.346 38.112 8.437 1.00 40.56 ? 742 VAL A CG1 1 \nATOM 331 C CG2 . VAL A 1 50 ? 8.931 40.075 8.615 1.00 37.85 ? 742 VAL A CG2 1 \nATOM 332 N N . ALA A 1 51 ? 11.064 37.564 10.815 1.00 30.95 ? 743 ALA A N 1 \nATOM 333 C CA . ALA A 1 51 ? 12.504 37.735 10.909 1.00 31.06 ? 743 ALA A CA 1 \nATOM 334 C C . ALA A 1 51 ? 12.971 37.867 9.468 1.00 29.26 ? 743 ALA A C 1 \nATOM 335 O O . ALA A 1 51 ? 12.443 37.205 8.545 1.00 29.67 ? 743 ALA A O 1 \nATOM 336 C CB . ALA A 1 51 ? 13.145 36.521 11.607 1.00 27.75 ? 743 ALA A CB 1 \nATOM 337 N N . ILE A 1 52 ? 13.960 38.729 9.257 1.00 29.82 ? 744 ILE A N 1 \nATOM 338 C CA . ILE A 1 52 ? 14.482 38.989 7.941 1.00 26.91 ? 744 ILE A CA 1 \nATOM 339 C C . ILE A 1 52 ? 15.996 38.776 7.997 1.00 32.94 ? 744 ILE A C 1 \nATOM 340 O O . ILE A 1 52 ? 16.659 39.439 8.787 1.00 31.67 ? 744 ILE A O 1 \nATOM 341 C CB . ILE A 1 52 ? 14.187 40.451 7.521 1.00 32.45 ? 744 ILE A CB 1 \nATOM 342 C CG1 . ILE A 1 52 ? 12.668 40.686 7.463 1.00 33.88 ? 744 ILE A CG1 1 \nATOM 343 C CG2 . ILE A 1 52 ? 14.811 40.752 6.170 1.00 33.17 ? 744 ILE A CG2 1 \nATOM 344 C CD1 . ILE A 1 52 ? 12.266 42.143 7.435 1.00 43.30 ? 744 ILE A CD1 1 \nATOM 345 N N . LYS A 1 53 ? 16.513 37.833 7.209 1.00 31.04 ? 745 LYS A N 1 \nATOM 346 C CA . LYS A 1 53 ? 17.973 37.573 7.139 1.00 31.99 ? 745 LYS A CA 1 \nATOM 347 C C . LYS A 1 53 ? 18.524 38.109 5.822 1.00 39.09 ? 745 LYS A C 1 \nATOM 348 O O . LYS A 1 53 ? 18.134 37.638 4.751 1.00 38.70 ? 745 LYS A O 1 \nATOM 349 C CB . LYS A 1 53 ? 18.294 36.063 7.319 1.00 28.72 ? 745 LYS A CB 1 \nATOM 350 C CG . LYS A 1 53 ? 19.802 35.726 7.423 1.00 31.87 ? 745 LYS A CG 1 \nATOM 351 C CD . LYS A 1 53 ? 20.007 34.389 8.138 1.00 31.76 ? 745 LYS A CD 1 \nATOM 352 C CE . LYS A 1 53 ? 21.491 34.095 8.338 1.00 35.24 ? 745 LYS A CE 1 \nATOM 353 N NZ . LYS A 1 53 ? 21.698 32.907 9.205 1.00 39.22 ? 745 LYS A NZ 1 \nATOM 354 N N . GLU A 1 54 ? 19.416 39.106 5.904 1.00 34.93 ? 746 GLU A N 1 \nATOM 355 C CA . GLU A 1 54 ? 20.142 39.638 4.746 1.00 33.61 ? 746 GLU A CA 1 \nATOM 356 C C . GLU A 1 54 ? 21.526 38.979 4.663 1.00 41.73 ? 746 GLU A C 1 \nATOM 357 O O . GLU A 1 54 ? 22.298 39.054 5.609 1.00 40.63 ? 746 GLU A O 1 \nATOM 358 C CB . GLU A 1 54 ? 20.301 41.152 4.901 1.00 38.35 ? 746 GLU A CB 1 \nATOM 359 C CG . GLU A 1 54 ? 20.665 41.861 3.615 1.00 43.31 ? 746 GLU A CG 1 \nATOM 360 C CD . GLU A 1 54 ? 20.339 43.344 3.649 1.00 56.57 ? 746 GLU A CD 1 \nATOM 361 O OE1 . GLU A 1 54 ? 20.746 44.024 4.616 1.00 60.73 ? 746 GLU A OE1 1 \nATOM 362 O OE2 . GLU A 1 54 ? 19.673 43.828 2.704 1.00 56.47 ? 746 GLU A OE2 1 \nATOM 363 N N . LEU A 1 55 ? 21.833 38.337 3.537 1.00 44.06 ? 747 LEU A N 1 \nATOM 364 C CA . LEU A 1 55 ? 23.024 37.488 3.450 1.00 49.19 ? 747 LEU A CA 1 \nATOM 365 C C . LEU A 1 55 ? 24.281 38.279 3.131 1.00 60.11 ? 747 LEU A C 1 \nATOM 366 O O . LEU A 1 55 ? 24.202 39.411 2.649 1.00 50.14 ? 747 LEU A O 1 \nATOM 367 C CB . LEU A 1 55 ? 22.837 36.348 2.436 1.00 42.55 ? 747 LEU A CB 1 \nATOM 368 C CG . LEU A 1 55 ? 21.603 35.433 2.522 1.00 47.94 ? 747 LEU A CG 1 \nATOM 369 C CD1 . LEU A 1 55 ? 21.721 34.261 1.547 1.00 56.88 ? 747 LEU A CD1 1 \nATOM 370 C CD2 . LEU A 1 55 ? 21.335 34.931 3.938 1.00 48.40 ? 747 LEU A CD2 1 \nATOM 371 N N . ARG A 1 56 ? 25.429 37.670 3.439 1.00 66.18 ? 748 ARG A N 1 \nATOM 372 C CA . ARG A 1 56 ? 26.741 38.168 3.020 1.00 88.68 ? 748 ARG A CA 1 \nATOM 373 C C . ARG A 1 56 ? 26.890 37.940 1.518 1.00 83.15 ? 748 ARG A C 1 \nATOM 374 O O . ARG A 1 56 ? 26.540 36.871 1.007 1.00 58.47 ? 748 ARG A O 1 \nATOM 375 C CB . ARG A 1 56 ? 27.867 37.432 3.760 1.00 95.20 ? 748 ARG A CB 1 \nATOM 376 C CG . ARG A 1 56 ? 27.684 37.308 5.267 1.00 111.81 ? 748 ARG A CG 1 \nATOM 377 C CD . ARG A 1 56 ? 28.485 38.345 6.036 1.00 116.77 ? 748 ARG A CD 1 \nATOM 378 N NE . ARG A 1 56 ? 28.166 38.317 7.463 1.00 121.49 ? 748 ARG A NE 1 \nATOM 379 C CZ . ARG A 1 56 ? 28.992 38.701 8.434 1.00 124.58 ? 748 ARG A CZ 1 \nATOM 380 N NH1 . ARG A 1 56 ? 28.598 38.637 9.698 1.00 118.79 ? 748 ARG A NH1 1 \nATOM 381 N NH2 . ARG A 1 56 ? 30.213 39.139 8.150 1.00 121.87 ? 748 ARG A NH2 1 \nATOM 382 N N . GLU A 1 57 ? 27.406 38.949 0.821 1.00 98.46 ? 749 GLU A N 1 \nATOM 383 C CA . GLU A 1 57 ? 27.601 38.891 -0.630 1.00 109.01 ? 749 GLU A CA 1 \nATOM 384 C C . GLU A 1 57 ? 28.856 38.102 -1.017 1.00 119.10 ? 749 GLU A C 1 \nATOM 385 O O . GLU A 1 57 ? 29.662 37.740 -0.156 1.00 127.74 ? 749 GLU A O 1 \nATOM 386 C CB . GLU A 1 57 ? 27.675 40.307 -1.207 1.00 107.94 ? 749 GLU A CB 1 \nATOM 387 C CG . GLU A 1 57 ? 26.412 41.134 -1.012 1.00 122.50 ? 749 GLU A CG 1 \nATOM 388 C CD . GLU A 1 57 ? 26.530 42.544 -1.567 1.00 131.75 ? 749 GLU A CD 1 \nATOM 389 O OE1 . GLU A 1 57 ? 27.541 42.855 -2.234 1.00 129.10 ? 749 GLU A OE1 1 \nATOM 390 O OE2 . GLU A 1 57 ? 25.601 43.347 -1.337 1.00 141.68 ? 749 GLU A OE2 1 \nATOM 391 N N . ALA A 1 58 ? 29.008 37.836 -2.315 1.00 115.00 ? 750 ALA A N 1 \nATOM 392 C CA . ALA A 1 58 ? 30.204 37.181 -2.856 1.00 118.99 ? 750 ALA A CA 1 \nATOM 393 C C . ALA A 1 58 ? 30.743 37.944 -4.068 1.00 126.64 ? 750 ALA A C 1 \nATOM 394 O O . ALA A 1 58 ? 30.009 38.716 -4.692 1.00 142.14 ? 750 ALA A O 1 \nATOM 395 C CB . ALA A 1 58 ? 29.900 35.736 -3.224 1.00 111.74 ? 750 ALA A CB 1 \nATOM 396 N N . THR A 1 59 ? 32.022 37.735 -4.391 1.00 123.82 ? 751 THR A N 1 \nATOM 397 C CA . THR A 1 59 ? 32.648 38.356 -5.569 1.00 124.40 ? 751 THR A CA 1 \nATOM 398 C C . THR A 1 59 ? 32.044 37.774 -6.848 1.00 124.78 ? 751 THR A C 1 \nATOM 399 O O . THR A 1 59 ? 31.735 38.509 -7.791 1.00 116.74 ? 751 THR A O 1 \nATOM 400 C CB . THR A 1 59 ? 34.185 38.166 -5.588 1.00 118.19 ? 751 THR A CB 1 \nATOM 401 O OG1 . THR A 1 59 ? 34.721 38.383 -4.277 1.00 103.31 ? 751 THR A OG1 1 \nATOM 402 C CG2 . THR A 1 59 ? 34.848 39.136 -6.573 1.00 100.42 ? 751 THR A CG2 1 \nATOM 403 N N . SER A 1 60 ? 31.885 36.451 -6.862 1.00 121.20 ? 752 SER A N 1 \nATOM 404 C CA . SER A 1 60 ? 31.194 35.752 -7.939 1.00 135.31 ? 752 SER A CA 1 \nATOM 405 C C . SER A 1 60 ? 29.938 35.072 -7.380 1.00 129.14 ? 752 SER A C 1 \nATOM 406 O O . SER A 1 60 ? 29.976 33.894 -7.008 1.00 125.03 ? 752 SER A O 1 \nATOM 407 C CB . SER A 1 60 ? 32.123 34.735 -8.613 1.00 131.46 ? 752 SER A CB 1 \nATOM 408 O OG . SER A 1 60 ? 31.457 34.039 -9.655 1.00 119.19 ? 752 SER A OG 1 \nATOM 409 N N . PRO A 1 61 ? 28.819 35.821 -7.308 1.00 118.58 ? 753 PRO A N 1 \nATOM 410 C CA . PRO A 1 61 ? 27.589 35.277 -6.740 1.00 106.64 ? 753 PRO A CA 1 \nATOM 411 C C . PRO A 1 61 ? 26.877 34.351 -7.720 1.00 97.42 ? 753 PRO A C 1 \nATOM 412 O O . PRO A 1 61 ? 27.150 34.390 -8.922 1.00 88.50 ? 753 PRO A O 1 \nATOM 413 C CB . PRO A 1 61 ? 26.730 36.526 -6.474 1.00 107.50 ? 753 PRO A CB 1 \nATOM 414 C CG . PRO A 1 61 ? 27.528 37.708 -6.938 1.00 107.49 ? 753 PRO A CG 1 \nATOM 415 C CD . PRO A 1 61 ? 28.618 37.187 -7.821 1.00 102.77 ? 753 PRO A CD 1 \nATOM 416 N N . LYS A 1 62 ? 25.976 33.523 -7.199 1.00 91.73 ? 754 LYS A N 1 \nATOM 417 C CA . LYS A 1 62 ? 25.143 32.653 -8.028 1.00 78.40 ? 754 LYS A CA 1 \nATOM 418 C C . LYS A 1 62 ? 24.059 33.471 -8.747 1.00 72.59 ? 754 LYS A C 1 \nATOM 419 O O . LYS A 1 62 ? 23.679 34.553 -8.283 1.00 71.52 ? 754 LYS A O 1 \nATOM 420 C CB . LYS A 1 62 ? 24.516 31.548 -7.171 1.00 66.50 ? 754 LYS A CB 1 \nATOM 421 C CG . LYS A 1 62 ? 25.522 30.572 -6.582 1.00 66.51 ? 754 LYS A CG 1 \nATOM 422 C CD . LYS A 1 62 ? 24.844 29.511 -5.730 1.00 67.17 ? 754 LYS A CD 1 \nATOM 423 C CE . LYS A 1 62 ? 25.850 28.490 -5.217 1.00 71.27 ? 754 LYS A CE 1 \nATOM 424 N NZ . LYS A 1 62 ? 25.199 27.456 -4.367 1.00 72.05 ? 754 LYS A NZ 1 \nATOM 425 N N . ALA A 1 63 ? 23.582 32.965 -9.885 1.00 67.58 ? 755 ALA A N 1 \nATOM 426 C CA . ALA A 1 63 ? 22.470 33.596 -10.607 1.00 64.10 ? 755 ALA A CA 1 \nATOM 427 C C . ALA A 1 63 ? 21.197 33.558 -9.757 1.00 59.06 ? 755 ALA A C 1 \nATOM 428 O O . ALA A 1 63 ? 21.026 32.662 -8.924 1.00 48.83 ? 755 ALA A O 1 \nATOM 429 C CB . ALA A 1 63 ? 22.241 32.908 -11.946 1.00 62.79 ? 755 ALA A CB 1 \nATOM 430 N N . ASN A 1 64 ? 20.311 34.532 -9.961 1.00 55.32 ? 756 ASN A N 1 \nATOM 431 C CA . ASN A 1 64 ? 19.058 34.580 -9.210 1.00 57.65 ? 756 ASN A CA 1 \nATOM 432 C C . ASN A 1 64 ? 18.246 33.282 -9.306 1.00 49.83 ? 756 ASN A C 1 \nATOM 433 O O . ASN A 1 64 ? 17.713 32.811 -8.305 1.00 52.47 ? 756 ASN A O 1 \nATOM 434 C CB . ASN A 1 64 ? 18.214 35.782 -9.636 1.00 61.10 ? 756 ASN A CB 1 \nATOM 435 C CG . ASN A 1 64 ? 18.737 37.095 -9.070 1.00 65.60 ? 756 ASN A CG 1 \nATOM 436 O OD1 . ASN A 1 64 ? 18.241 38.166 -9.417 1.00 66.39 ? 756 ASN A OD1 1 \nATOM 437 N ND2 . ASN A 1 64 ? 19.733 37.018 -8.188 1.00 62.03 ? 756 ASN A ND2 1 \nATOM 438 N N . LYS A 1 65 ? 18.188 32.693 -10.499 1.00 48.32 ? 757 LYS A N 1 \nATOM 439 C CA . LYS A 1 65 ? 17.363 31.496 -10.707 1.00 53.97 ? 757 LYS A CA 1 \nATOM 440 C C . LYS A 1 65 ? 17.885 30.303 -9.916 1.00 52.23 ? 757 LYS A C 1 \nATOM 441 O O . LYS A 1 65 ? 17.101 29.474 -9.457 1.00 38.94 ? 757 LYS A O 1 \nATOM 442 C CB . LYS A 1 65 ? 17.178 31.163 -12.198 1.00 57.10 ? 757 LYS A CB 1 \nATOM 443 C CG . LYS A 1 65 ? 18.445 30.784 -12.949 1.00 62.89 ? 757 LYS A CG 1 \nATOM 444 C CD . LYS A 1 65 ? 18.134 30.400 -14.385 1.00 67.24 ? 757 LYS A CD 1 \nATOM 445 C CE . LYS A 1 65 ? 19.369 29.866 -15.088 1.00 78.98 ? 757 LYS A CE 1 \nATOM 446 N NZ . LYS A 1 65 ? 19.072 29.478 -16.495 1.00 98.58 ? 757 LYS A NZ 1 \nATOM 447 N N . GLU A 1 66 ? 19.205 30.237 -9.731 1.00 41.71 ? 758 GLU A N 1 \nATOM 448 C CA . GLU A 1 66 ? 19.816 29.184 -8.921 1.00 45.36 ? 758 GLU A CA 1 \nATOM 449 C C . GLU A 1 66 ? 19.512 29.391 -7.426 1.00 45.14 ? 758 GLU A C 1 \nATOM 450 O O . GLU A 1 66 ? 19.180 28.437 -6.706 1.00 43.16 ? 758 GLU A O 1 \nATOM 451 C CB . GLU A 1 66 ? 21.327 29.142 -9.166 1.00 56.18 ? 758 GLU A CB 1 \nATOM 452 C CG . GLU A 1 66 ? 22.010 27.873 -8.669 1.00 74.96 ? 758 GLU A CG 1 \nATOM 453 C CD . GLU A 1 66 ? 23.509 27.857 -8.933 1.00 89.13 ? 758 GLU A CD 1 \nATOM 454 O OE1 . GLU A 1 66 ? 24.235 27.159 -8.193 1.00 109.33 ? 758 GLU A OE1 1 \nATOM 455 O OE2 . GLU A 1 66 ? 23.968 28.536 -9.878 1.00 81.56 ? 758 GLU A OE2 1 \nATOM 456 N N . ILE A 1 67 ? 19.643 30.638 -6.971 1.00 38.74 ? 759 ILE A N 1 \nATOM 457 C CA . ILE A 1 67 ? 19.234 31.052 -5.622 1.00 40.45 ? 759 ILE A CA 1 \nATOM 458 C C . ILE A 1 67 ? 17.742 30.767 -5.383 1.00 37.42 ? 759 ILE A C 1 \nATOM 459 O O . ILE A 1 67 ? 17.347 30.206 -4.353 1.00 36.66 ? 759 ILE A O 1 \nATOM 460 C CB . ILE A 1 67 ? 19.533 32.554 -5.393 1.00 43.35 ? 759 ILE A CB 1 \nATOM 461 C CG1 . ILE A 1 67 ? 21.053 32.762 -5.243 1.00 47.56 ? 759 ILE A CG1 1 \nATOM 462 C CG2 . ILE A 1 67 ? 18.767 33.078 -4.186 1.00 43.77 ? 759 ILE A CG2 1 \nATOM 463 C CD1 . ILE A 1 67 ? 21.516 34.207 -5.124 1.00 44.09 ? 759 ILE A CD1 1 \nATOM 464 N N . LEU A 1 68 ? 16.923 31.151 -6.340 1.00 32.59 ? 760 LEU A N 1 \nATOM 465 C CA . LEU A 1 68 ? 15.477 30.871 -6.229 1.00 44.54 ? 760 LEU A CA 1 \nATOM 466 C C . LEU A 1 68 ? 15.206 29.372 -6.123 1.00 43.78 ? 760 LEU A C 1 \nATOM 467 O O . LEU A 1 68 ? 14.351 28.949 -5.341 1.00 38.07 ? 760 LEU A O 1 \nATOM 468 C CB . LEU A 1 68 ? 14.701 31.506 -7.382 1.00 37.58 ? 760 LEU A CB 1 \nATOM 469 C CG . LEU A 1 68 ? 14.663 33.030 -7.272 1.00 40.85 ? 760 LEU A CG 1 \nATOM 470 C CD1 . LEU A 1 68 ? 14.118 33.694 -8.532 1.00 47.14 ? 760 LEU A CD1 1 \nATOM 471 C CD2 . LEU A 1 68 ? 13.882 33.459 -6.040 1.00 39.46 ? 760 LEU A CD2 1 \nATOM 472 N N . ASP A 1 69 ? 15.966 28.576 -6.874 1.00 37.26 ? 761 ASP A N 1 \nATOM 473 C CA . ASP A 1 69 ? 15.788 27.126 -6.889 1.00 39.19 ? 761 ASP A CA 1 \nATOM 474 C C . ASP A 1 69 ? 16.110 26.500 -5.525 1.00 46.00 ? 761 ASP A C 1 \nATOM 475 O O . ASP A 1 69 ? 15.381 25.626 -5.051 1.00 41.12 ? 761 ASP A O 1 \nATOM 476 C CB . ASP A 1 69 ? 16.625 26.501 -8.020 1.00 44.22 ? 761 ASP A CB 1 \nATOM 477 C CG . ASP A 1 69 ? 16.461 24.979 -8.126 1.00 58.33 ? 761 ASP A CG 1 \nATOM 478 O OD1 . ASP A 1 69 ? 17.492 24.284 -8.152 1.00 49.31 ? 761 ASP A OD1 1 \nATOM 479 O OD2 . ASP A 1 69 ? 15.316 24.470 -8.200 1.00 47.84 ? 761 ASP A OD2 1 \nATOM 480 N N . GLU A 1 70 ? 17.191 26.954 -4.888 1.00 36.07 ? 762 GLU A N 1 \nATOM 481 C CA . GLU A 1 70 ? 17.560 26.438 -3.576 1.00 34.81 ? 762 GLU A CA 1 \nATOM 482 C C . GLU A 1 70 ? 16.600 26.948 -2.508 1.00 32.41 ? 762 GLU A C 1 \nATOM 483 O O . GLU A 1 70 ? 16.215 26.209 -1.596 1.00 36.70 ? 762 GLU A O 1 \nATOM 484 C CB . GLU A 1 70 ? 19.029 26.775 -3.256 1.00 39.98 ? 762 GLU A CB 1 \nATOM 485 C CG . GLU A 1 70 ? 19.960 26.152 -4.283 1.00 46.30 ? 762 GLU A CG 1 \nATOM 486 C CD . GLU A 1 70 ? 21.394 25.995 -3.807 1.00 67.31 ? 762 GLU A CD 1 \nATOM 487 O OE1 . GLU A 1 70 ? 22.255 25.711 -4.666 1.00 61.02 ? 762 GLU A OE1 1 \nATOM 488 O OE2 . GLU A 1 70 ? 21.667 26.144 -2.592 1.00 60.07 ? 762 GLU A OE2 1 \nATOM 489 N N . ALA A 1 71 ? 16.161 28.196 -2.654 1.00 31.03 ? 763 ALA A N 1 \nATOM 490 C CA . ALA A 1 71 ? 15.258 28.767 -1.667 1.00 30.15 ? 763 ALA A CA 1 \nATOM 491 C C . ALA A 1 71 ? 13.909 28.042 -1.718 1.00 31.96 ? 763 ALA A C 1 \nATOM 492 O O . ALA A 1 71 ? 13.237 27.930 -0.700 1.00 32.14 ? 763 ALA A O 1 \nATOM 493 C CB . ALA A 1 71 ? 15.065 30.253 -1.887 1.00 31.59 ? 763 ALA A CB 1 \nATOM 494 N N . TYR A 1 72 ? 13.541 27.551 -2.895 1.00 28.99 ? 764 TYR A N 1 \nATOM 495 C CA . TYR A 1 72 ? 12.229 26.863 -3.044 1.00 29.83 ? 764 TYR A CA 1 \nATOM 496 C C . TYR A 1 72 ? 12.189 25.668 -2.112 1.00 28.72 ? 764 TYR A C 1 \nATOM 497 O O . TYR A 1 72 ? 11.184 25.426 -1.469 1.00 29.34 ? 764 TYR A O 1 \nATOM 498 C CB . TYR A 1 72 ? 11.968 26.408 -4.481 1.00 30.91 ? 764 TYR A CB 1 \nATOM 499 C CG . TYR A 1 72 ? 10.617 25.705 -4.651 1.00 30.27 ? 764 TYR A CG 1 \nATOM 500 C CD1 . TYR A 1 72 ? 10.525 24.314 -4.685 1.00 29.95 ? 764 TYR A CD1 1 \nATOM 501 C CD2 . TYR A 1 72 ? 9.448 26.447 -4.774 1.00 31.11 ? 764 TYR A CD2 1 \nATOM 502 C CE1 . TYR A 1 72 ? 9.299 23.683 -4.830 1.00 36.51 ? 764 TYR A CE1 1 \nATOM 503 C CE2 . TYR A 1 72 ? 8.212 25.822 -4.915 1.00 34.02 ? 764 TYR A CE2 1 \nATOM 504 C CZ . TYR A 1 72 ? 8.153 24.440 -4.943 1.00 31.33 ? 764 TYR A CZ 1 \nATOM 505 O OH . TYR A 1 72 ? 6.926 23.819 -5.090 1.00 36.39 ? 764 TYR A OH 1 \nATOM 506 N N . VAL A 1 73 ? 13.308 24.953 -1.983 1.00 30.36 ? 765 VAL A N 1 \nATOM 507 C CA . VAL A 1 73 ? 13.338 23.790 -1.106 1.00 30.00 ? 765 VAL A CA 1 \nATOM 508 C C . VAL A 1 73 ? 13.144 24.241 0.339 1.00 28.48 ? 765 VAL A C 1 \nATOM 509 O O . VAL A 1 73 ? 12.510 23.540 1.135 1.00 28.46 ? 765 VAL A O 1 \nATOM 510 C CB . VAL A 1 73 ? 14.661 22.982 -1.249 1.00 34.35 ? 765 VAL A CB 1 \nATOM 511 C CG1 . VAL A 1 73 ? 14.648 21.743 -0.361 1.00 37.76 ? 765 VAL A CG1 1 \nATOM 512 C CG2 . VAL A 1 73 ? 14.898 22.599 -2.708 1.00 39.05 ? 765 VAL A CG2 1 \nATOM 513 N N . MET A 1 74 ? 13.685 25.407 0.687 1.00 26.60 ? 766 MET A N 1 \nATOM 514 C CA . MET A 1 74 ? 13.558 25.938 2.055 1.00 27.20 ? 766 MET A CA 1 \nATOM 515 C C . MET A 1 74 ? 12.106 26.365 2.345 1.00 32.09 ? 766 MET A C 1 \nATOM 516 O O . MET A 1 74 ? 11.637 26.292 3.487 1.00 34.54 ? 766 MET A O 1 \nATOM 517 C CB . MET A 1 74 ? 14.561 27.094 2.308 1.00 31.52 ? 766 MET A CB 1 \nATOM 518 C CG . MET A 1 74 ? 16.040 26.737 2.138 1.00 36.39 ? 766 MET A CG 1 \nATOM 519 S SD . MET A 1 74 ? 16.954 28.289 1.995 1.00 35.31 ? 766 MET A SD 1 \nATOM 520 C CE . MET A 1 74 ? 18.693 27.772 1.971 1.00 29.41 ? 766 MET A CE 1 \nATOM 521 N N . ALA A 1 75 ? 11.388 26.768 1.304 1.00 25.55 ? 767 ALA A N 1 \nATOM 522 C CA . ALA A 1 75 ? 9.955 27.147 1.461 1.00 28.35 ? 767 ALA A CA 1 \nATOM 523 C C . ALA A 1 75 ? 8.996 25.957 1.419 1.00 30.50 ? 767 ALA A C 1 \nATOM 524 O O . ALA A 1 75 ? 7.810 26.051 1.829 1.00 35.24 ? 767 ALA A O 1 \nATOM 525 C CB . ALA A 1 75 ? 9.587 28.141 0.385 1.00 27.82 ? 767 ALA A CB 1 \nATOM 526 N N . SER A 1 76 ? 9.486 24.841 0.921 1.00 33.39 ? 768 SER A N 1 \nATOM 527 C CA . SER A 1 76 ? 8.674 23.650 0.666 1.00 36.62 ? 768 SER A CA 1 \nATOM 528 C C . SER A 1 76 ? 8.537 22.757 1.916 1.00 35.31 ? 768 SER A C 1 \nATOM 529 O O . SER A 1 76 ? 7.706 21.837 1.944 1.00 41.31 ? 768 SER A O 1 \nATOM 530 C CB . SER A 1 76 ? 9.315 22.842 -0.478 1.00 30.34 ? 768 SER A CB 1 \nATOM 531 O OG . SER A 1 76 ? 10.337 22.007 0.056 1.00 43.37 ? 768 SER A OG 1 \nATOM 532 N N . VAL A 1 77 ? 9.337 23.017 2.949 1.00 29.89 ? 769 VAL A N 1 \nATOM 533 C CA . VAL A 1 77 ? 9.346 22.117 4.112 1.00 31.80 ? 769 VAL A CA 1 \nATOM 534 C C . VAL A 1 77 ? 8.076 22.226 4.967 1.00 35.73 ? 769 VAL A C 1 \nATOM 535 O O . VAL A 1 77 ? 7.587 23.322 5.240 1.00 40.87 ? 769 VAL A O 1 \nATOM 536 C CB . VAL A 1 77 ? 10.608 22.267 4.970 1.00 36.09 ? 769 VAL A CB 1 \nATOM 537 C CG1 . VAL A 1 77 ? 11.840 21.931 4.144 1.00 34.12 ? 769 VAL A CG1 1 \nATOM 538 C CG2 . VAL A 1 77 ? 10.721 23.677 5.517 1.00 42.89 ? 769 VAL A CG2 1 \nATOM 539 N N . ASP A 1 78 ? 7.546 21.080 5.369 1.00 31.99 ? 770 ASP A N 1 \nATOM 540 C CA . ASP A 1 78 ? 6.279 21.036 6.088 1.00 39.53 ? 770 ASP A CA 1 \nATOM 541 C C . ASP A 1 78 ? 6.391 20.001 7.188 1.00 32.29 ? 770 ASP A C 1 \nATOM 542 O O . ASP A 1 78 ? 6.093 18.820 6.974 1.00 33.73 ? 770 ASP A O 1 \nATOM 543 C CB . ASP A 1 78 ? 5.126 20.706 5.120 1.00 36.58 ? 770 ASP A CB 1 \nATOM 544 C CG . ASP A 1 78 ? 3.755 20.745 5.793 1.00 41.55 ? 770 ASP A CG 1 \nATOM 545 O OD1 . ASP A 1 78 ? 3.591 21.464 6.803 1.00 41.43 ? 770 ASP A OD1 1 \nATOM 546 O OD2 . ASP A 1 78 ? 2.839 20.055 5.297 1.00 61.49 ? 770 ASP A OD2 1 \nATOM 547 N N . ASN A 1 79 ? 6.841 20.458 8.358 1.00 27.92 ? 771 ASN A N 1 \nATOM 548 C CA . ASN A 1 79 ? 7.056 19.600 9.515 1.00 28.79 ? 771 ASN A CA 1 \nATOM 549 C C . ASN A 1 79 ? 7.004 20.473 10.767 1.00 28.51 ? 771 ASN A C 1 \nATOM 550 O O . ASN A 1 79 ? 7.492 21.615 10.753 1.00 32.33 ? 771 ASN A O 1 \nATOM 551 C CB . ASN A 1 79 ? 8.427 18.877 9.404 1.00 31.63 ? 771 ASN A CB 1 \nATOM 552 C CG . ASN A 1 79 ? 8.711 17.968 10.593 1.00 32.66 ? 771 ASN A CG 1 \nATOM 553 O OD1 . ASN A 1 79 ? 9.198 18.412 11.634 1.00 32.35 ? 771 ASN A OD1 1 \nATOM 554 N ND2 . ASN A 1 79 ? 8.412 16.685 10.439 1.00 31.99 ? 771 ASN A ND2 1 \nATOM 555 N N . PRO A 1 80 ? 6.419 19.947 11.868 1.00 36.96 ? 772 PRO A N 1 \nATOM 556 C CA . PRO A 1 80 ? 6.237 20.746 13.090 1.00 37.28 ? 772 PRO A CA 1 \nATOM 557 C C . PRO A 1 80 ? 7.540 21.226 13.729 1.00 33.19 ? 772 PRO A C 1 \nATOM 558 O O . PRO A 1 80 ? 7.524 22.216 14.470 1.00 30.61 ? 772 PRO A O 1 \nATOM 559 C CB . PRO A 1 80 ? 5.540 19.773 14.045 1.00 44.95 ? 772 PRO A CB 1 \nATOM 560 C CG . PRO A 1 80 ? 4.862 18.792 13.164 1.00 49.09 ? 772 PRO A CG 1 \nATOM 561 C CD . PRO A 1 80 ? 5.749 18.635 11.972 1.00 36.80 ? 772 PRO A CD 1 \nATOM 562 N N . HIS A 1 81 ? 8.647 20.524 13.463 1.00 32.01 ? 773 HIS A N 1 \nATOM 563 C CA . HIS A 1 81 ? 9.923 20.890 14.095 1.00 32.30 ? 773 HIS A CA 1 \nATOM 564 C C . HIS A 1 81 ? 10.938 21.522 13.140 1.00 29.91 ? 773 HIS A C 1 \nATOM 565 O O . HIS A 1 81 ? 12.141 21.581 13.433 1.00 31.48 ? 773 HIS A O 1 \nATOM 566 C CB . HIS A 1 81 ? 10.501 19.683 14.866 1.00 30.06 ? 773 HIS A CB 1 \nATOM 567 C CG . HIS A 1 81 ? 9.481 19.002 15.740 1.00 38.50 ? 773 HIS A CG 1 \nATOM 568 N ND1 . HIS A 1 81 ? 8.923 19.607 16.850 1.00 35.97 ? 773 HIS A ND1 1 \nATOM 569 C CD2 . HIS A 1 81 ? 8.862 17.803 15.617 1.00 43.44 ? 773 HIS A CD2 1 \nATOM 570 C CE1 . HIS A 1 81 ? 8.045 18.787 17.401 1.00 35.79 ? 773 HIS A CE1 1 \nATOM 571 N NE2 . HIS A 1 81 ? 7.979 17.690 16.666 1.00 33.01 ? 773 HIS A NE2 1 \nATOM 572 N N . VAL A 1 82 ? 10.444 22.029 12.011 1.00 32.42 ? 774 VAL A N 1 \nATOM 573 C CA . VAL A 1 82 ? 11.292 22.713 11.029 1.00 31.78 ? 774 VAL A CA 1 \nATOM 574 C C . VAL A 1 82 ? 10.590 24.023 10.638 1.00 31.70 ? 774 VAL A C 1 \nATOM 575 O O . VAL A 1 82 ? 9.410 24.021 10.272 1.00 33.83 ? 774 VAL A O 1 \nATOM 576 C CB . VAL A 1 82 ? 11.562 21.858 9.757 1.00 37.83 ? 774 VAL A CB 1 \nATOM 577 C CG1 . VAL A 1 82 ? 12.584 22.547 8.868 1.00 28.77 ? 774 VAL A CG1 1 \nATOM 578 C CG2 . VAL A 1 82 ? 12.050 20.442 10.095 1.00 34.53 ? 774 VAL A CG2 1 \nATOM 579 N N . CYS A 1 83 ? 11.299 25.132 10.784 1.00 31.06 ? 775 CYS A N 1 \nATOM 580 C CA . CYS A 1 83 ? 10.867 26.411 10.246 1.00 32.97 ? 775 CYS A CA 1 \nATOM 581 C C . CYS A 1 83 ? 10.813 26.400 8.725 1.00 31.14 ? 775 CYS A C 1 \nATOM 582 O O . CYS A 1 83 ? 11.570 25.660 8.057 1.00 35.80 ? 775 CYS A O 1 \nATOM 583 C CB . CYS A 1 83 ? 11.836 27.504 10.707 1.00 29.32 ? 775 CYS A CB 1 \nATOM 584 S SG . CYS A 1 83 ? 11.781 27.780 12.482 1.00 36.31 ? 775 CYS A SG 1 \nATOM 585 N N . ARG A 1 84 ? 9.959 27.240 8.152 1.00 27.88 ? 776 ARG A N 1 \nATOM 586 C CA . ARG A 1 84 ? 9.926 27.322 6.704 1.00 26.20 ? 776 ARG A CA 1 \nATOM 587 C C . ARG A 1 84 ? 10.059 28.744 6.212 1.00 25.09 ? 776 ARG A C 1 \nATOM 588 O O . ARG A 1 84 ? 9.700 29.688 6.895 1.00 28.55 ? 776 ARG A O 1 \nATOM 589 C CB . ARG A 1 84 ? 8.682 26.632 6.126 1.00 36.86 ? 776 ARG A CB 1 \nATOM 590 C CG . ARG A 1 84 ? 7.473 27.513 6.073 1.00 39.62 ? 776 ARG A CG 1 \nATOM 591 C CD . ARG A 1 84 ? 6.435 26.936 5.109 1.00 54.28 ? 776 ARG A CD 1 \nATOM 592 N NE . ARG A 1 84 ? 5.496 27.982 4.720 1.00 51.59 ? 776 ARG A NE 1 \nATOM 593 C CZ . ARG A 1 84 ? 5.521 28.662 3.573 1.00 56.49 ? 776 ARG A CZ 1 \nATOM 594 N NH1 . ARG A 1 84 ? 6.423 28.405 2.636 1.00 45.85 ? 776 ARG A NH1 1 \nATOM 595 N NH2 . ARG A 1 84 ? 4.607 29.596 3.351 1.00 62.64 ? 776 ARG A NH2 1 \nATOM 596 N N . LEU A 1 85 ? 10.660 28.874 5.042 1.00 32.82 ? 777 LEU A N 1 \nATOM 597 C CA . LEU A 1 85 ? 10.839 30.155 4.397 1.00 39.54 ? 777 LEU A CA 1 \nATOM 598 C C . LEU A 1 85 ? 9.481 30.608 3.865 1.00 41.12 ? 777 LEU A C 1 \nATOM 599 O O . LEU A 1 85 ? 8.752 29.829 3.249 1.00 36.46 ? 777 LEU A O 1 \nATOM 600 C CB . LEU A 1 85 ? 11.873 30.008 3.284 1.00 37.75 ? 777 LEU A CB 1 \nATOM 601 C CG . LEU A 1 85 ? 12.599 31.245 2.783 1.00 41.91 ? 777 LEU A CG 1 \nATOM 602 C CD1 . LEU A 1 85 ? 13.269 31.938 3.962 1.00 35.23 ? 777 LEU A CD1 1 \nATOM 603 C CD2 . LEU A 1 85 ? 13.619 30.839 1.737 1.00 39.23 ? 777 LEU A CD2 1 \nATOM 604 N N . LEU A 1 86 ? 9.106 31.841 4.179 1.00 35.56 ? 778 LEU A N 1 \nATOM 605 C CA . LEU A 1 86 ? 7.850 32.407 3.671 1.00 37.08 ? 778 LEU A CA 1 \nATOM 606 C C . LEU A 1 86 ? 8.067 33.176 2.372 1.00 39.75 ? 778 LEU A C 1 \nATOM 607 O O . LEU A 1 86 ? 7.184 33.229 1.510 1.00 45.05 ? 778 LEU A O 1 \nATOM 608 C CB . LEU A 1 86 ? 7.251 33.354 4.706 1.00 33.02 ? 778 LEU A CB 1 \nATOM 609 C CG . LEU A 1 86 ? 6.736 32.791 6.028 1.00 43.06 ? 778 LEU A CG 1 \nATOM 610 C CD1 . LEU A 1 86 ? 6.379 33.930 6.967 1.00 41.81 ? 778 LEU A CD1 1 \nATOM 611 C CD2 . LEU A 1 86 ? 5.533 31.872 5.829 1.00 55.69 ? 778 LEU A CD2 1 \nATOM 612 N N . GLY A 1 87 ? 9.235 33.799 2.246 1.00 38.68 ? 779 GLY A N 1 \nATOM 613 C CA . GLY A 1 87 ? 9.483 34.706 1.147 1.00 38.09 ? 779 GLY A CA 1 \nATOM 614 C C . GLY A 1 87 ? 10.944 35.031 0.929 1.00 34.62 ? 779 GLY A C 1 \nATOM 615 O O . GLY A 1 87 ? 11.816 34.682 1.729 1.00 34.55 ? 779 GLY A O 1 \nATOM 616 N N . ILE A 1 88 ? 11.206 35.696 -0.181 1.00 36.47 ? 780 ILE A N 1 \nATOM 617 C CA . ILE A 1 88 ? 12.549 36.078 -0.537 1.00 32.86 ? 780 ILE A CA 1 \nATOM 618 C C . ILE A 1 88 ? 12.467 37.364 -1.342 1.00 37.56 ? 780 ILE A C 1 \nATOM 619 O O . ILE A 1 88 ? 11.461 37.641 -2.019 1.00 35.89 ? 780 ILE A O 1 \nATOM 620 C CB . ILE A 1 88 ? 13.271 34.933 -1.305 1.00 36.74 ? 780 ILE A CB 1 \nATOM 621 C CG1 . ILE A 1 88 ? 14.757 35.226 -1.508 1.00 37.01 ? 780 ILE A CG1 1 \nATOM 622 C CG2 . ILE A 1 88 ? 12.566 34.586 -2.612 1.00 39.84 ? 780 ILE A CG2 1 \nATOM 623 C CD1 . ILE A 1 88 ? 15.542 34.015 -1.981 1.00 41.12 ? 780 ILE A CD1 1 \nATOM 624 N N . CYS A 1 89 ? 13.504 38.179 -1.218 1.00 34.22 ? 781 CYS A N 1 \nATOM 625 C CA . CYS A 1 89 ? 13.584 39.409 -1.968 1.00 39.58 ? 781 CYS A CA 1 \nATOM 626 C C . CYS A 1 89 ? 15.008 39.513 -2.476 1.00 42.52 ? 781 CYS A C 1 \nATOM 627 O O . CYS A 1 89 ? 15.968 39.597 -1.696 1.00 42.31 ? 781 CYS A O 1 \nATOM 628 C CB . CYS A 1 89 ? 13.209 40.593 -1.091 1.00 42.05 ? 781 CYS A CB 1 \nATOM 629 S SG . CYS A 1 89 ? 13.340 42.208 -1.900 1.00 52.46 ? 781 CYS A SG 1 \nATOM 630 N N . LEU A 1 90 ? 15.137 39.460 -3.794 1.00 40.33 ? 782 LEU A N 1 \nATOM 631 C CA . LEU A 1 90 ? 16.427 39.615 -4.427 1.00 52.46 ? 782 LEU A CA 1 \nATOM 632 C C . LEU A 1 90 ? 16.577 41.062 -4.912 1.00 57.91 ? 782 LEU A C 1 \nATOM 633 O O . LEU A 1 90 ? 15.686 41.607 -5.575 1.00 53.42 ? 782 LEU A O 1 \nATOM 634 C CB . LEU A 1 90 ? 16.593 38.602 -5.561 1.00 46.81 ? 782 LEU A CB 1 \nATOM 635 C CG . LEU A 1 90 ? 16.440 37.118 -5.193 1.00 50.02 ? 782 LEU A CG 1 \nATOM 636 C CD1 . LEU A 1 90 ? 16.409 36.255 -6.440 1.00 58.30 ? 782 LEU A CD1 1 \nATOM 637 C CD2 . LEU A 1 90 ? 17.535 36.643 -4.245 1.00 47.01 ? 782 LEU A CD2 1 \nATOM 638 N N . THR A 1 91 ? 17.681 41.688 -4.513 1.00 57.02 ? 783 THR A N 1 \nATOM 639 C CA . THR A 1 91 ? 18.058 43.033 -4.953 1.00 57.87 ? 783 THR A CA 1 \nATOM 640 C C . THR A 1 91 ? 19.559 42.976 -5.243 1.00 56.07 ? 783 THR A C 1 \nATOM 641 O O . THR A 1 91 ? 20.020 42.064 -5.932 1.00 68.18 ? 783 THR A O 1 \nATOM 642 C CB . THR A 1 91 ? 17.787 44.109 -3.877 1.00 57.17 ? 783 THR A CB 1 \nATOM 643 O OG1 . THR A 1 91 ? 18.534 43.803 -2.690 1.00 63.32 ? 783 THR A OG1 1 \nATOM 644 C CG2 . THR A 1 91 ? 16.297 44.223 -3.544 1.00 60.21 ? 783 THR A CG2 1 \nATOM 645 N N . SER A 1 92 ? 20.317 43.931 -4.705 1.00 61.57 ? 784 SER A N 1 \nATOM 646 C CA . SER A 1 92 ? 21.778 43.830 -4.658 1.00 62.64 ? 784 SER A CA 1 \nATOM 647 C C . SER A 1 92 ? 22.205 42.824 -3.584 1.00 66.71 ? 784 SER A C 1 \nATOM 648 O O . SER A 1 92 ? 23.330 42.310 -3.611 1.00 73.57 ? 784 SER A O 1 \nATOM 649 C CB . SER A 1 92 ? 22.413 45.198 -4.391 1.00 65.94 ? 784 SER A CB 1 \nATOM 650 O OG . SER A 1 92 ? 21.881 45.793 -3.219 1.00 77.36 ? 784 SER A OG 1 \nATOM 651 N N . THR A 1 93 ? 21.296 42.553 -2.644 1.00 56.80 ? 785 THR A N 1 \nATOM 652 C CA . THR A 1 93 ? 21.494 41.540 -1.602 1.00 50.80 ? 785 THR A CA 1 \nATOM 653 C C . THR A 1 93 ? 20.393 40.478 -1.669 1.00 48.30 ? 785 THR A C 1 \nATOM 654 O O . THR A 1 93 ? 19.331 40.704 -2.264 1.00 47.91 ? 785 THR A O 1 \nATOM 655 C CB . THR A 1 93 ? 21.428 42.150 -0.184 1.00 51.80 ? 785 THR A CB 1 \nATOM 656 O OG1 . THR A 1 93 ? 20.089 42.598 0.080 1.00 49.48 ? 785 THR A OG1 1 \nATOM 657 C CG2 . THR A 1 93 ? 22.410 43.311 -0.027 1.00 59.94 ? 785 THR A CG2 1 \nATOM 658 N N . VAL A 1 94 ? 20.645 39.332 -1.039 1.00 46.00 ? 786 VAL A N 1 \nATOM 659 C CA . VAL A 1 94 ? 19.597 38.329 -0.826 1.00 38.67 ? 786 VAL A CA 1 \nATOM 660 C C . VAL A 1 94 ? 18.979 38.517 0.553 1.00 36.32 ? 786 VAL A C 1 \nATOM 661 O O . VAL A 1 94 ? 19.693 38.530 1.546 1.00 39.63 ? 786 VAL A O 1 \nATOM 662 C CB . VAL A 1 94 ? 20.142 36.898 -0.953 1.00 38.01 ? 786 VAL A CB 1 \nATOM 663 C CG1 . VAL A 1 94 ? 19.031 35.871 -0.729 1.00 48.90 ? 786 VAL A CG1 1 \nATOM 664 C CG2 . VAL A 1 94 ? 20.782 36.700 -2.320 1.00 48.03 ? 786 VAL A CG2 1 \nATOM 665 N N . GLN A 1 95 ? 17.653 38.626 0.610 1.00 36.69 ? 787 GLN A N 1 \nATOM 666 C CA . GLN A 1 95 ? 16.944 38.695 1.883 1.00 35.65 ? 787 GLN A CA 1 \nATOM 667 C C . GLN A 1 95 ? 15.909 37.581 2.032 1.00 39.78 ? 787 GLN A C 1 \nATOM 668 O O . GLN A 1 95 ? 15.052 37.404 1.156 1.00 35.85 ? 787 GLN A O 1 \nATOM 669 C CB . GLN A 1 95 ? 16.259 40.049 2.058 1.00 38.83 ? 787 GLN A CB 1 \nATOM 670 C CG . GLN A 1 95 ? 17.235 41.187 2.339 1.00 38.72 ? 787 GLN A CG 1 \nATOM 671 C CD . GLN A 1 95 ? 16.536 42.518 2.516 1.00 42.16 ? 787 GLN A CD 1 \nATOM 672 O OE1 . GLN A 1 95 ? 16.253 42.927 3.638 1.00 41.78 ? 787 GLN A OE1 1 \nATOM 673 N NE2 . GLN A 1 95 ? 16.248 43.197 1.412 1.00 43.91 ? 787 GLN A NE2 1 \nATOM 674 N N . LEU A 1 96 ? 15.995 36.856 3.148 1.00 33.94 ? 788 LEU A N 1 \nATOM 675 C CA . LEU A 1 96 ? 15.086 35.737 3.441 1.00 35.29 ? 788 LEU A CA 1 \nATOM 676 C C . LEU A 1 96 ? 14.084 36.113 4.506 1.00 30.71 ? 788 LEU A C 1 \nATOM 677 O O . LEU A 1 96 ? 14.427 36.716 5.524 1.00 32.86 ? 788 LEU A O 1 \nATOM 678 C CB . LEU A 1 96 ? 15.887 34.523 3.909 1.00 32.95 ? 788 LEU A CB 1 \nATOM 679 C CG . LEU A 1 96 ? 17.028 34.042 3.026 1.00 35.16 ? 788 LEU A CG 1 \nATOM 680 C CD1 . LEU A 1 96 ? 17.745 32.897 3.724 1.00 34.86 ? 788 LEU A CD1 1 \nATOM 681 C CD2 . LEU A 1 96 ? 16.502 33.617 1.664 1.00 37.74 ? 788 LEU A CD2 1 \nATOM 682 N N . ILE A 1 97 ? 12.820 35.776 4.290 1.00 30.64 ? 789 ILE A N 1 \nATOM 683 C CA . ILE A 1 97 ? 11.799 36.205 5.231 1.00 28.88 ? 789 ILE A CA 1 \nATOM 684 C C . ILE A 1 97 ? 11.097 34.984 5.799 1.00 25.85 ? 789 ILE A C 1 \nATOM 685 O O . ILE A 1 97 ? 10.735 34.081 5.056 1.00 33.02 ? 789 ILE A O 1 \nATOM 686 C CB . ILE A 1 97 ? 10.799 37.178 4.563 1.00 34.04 ? 789 ILE A CB 1 \nATOM 687 C CG1 . ILE A 1 97 ? 11.507 38.480 4.147 1.00 37.69 ? 789 ILE A CG1 1 \nATOM 688 C CG2 . ILE A 1 97 ? 9.617 37.488 5.479 1.00 35.36 ? 789 ILE A CG2 1 \nATOM 689 C CD1 . ILE A 1 97 ? 12.058 38.438 2.739 1.00 38.70 ? 789 ILE A CD1 1 \nATOM 690 N N . THR A 1 98 ? 10.936 34.964 7.116 1.00 25.06 ? 790 THR A N 1 \nATOM 691 C CA . THR A 1 98 ? 10.342 33.827 7.816 1.00 27.17 ? 790 THR A CA 1 \nATOM 692 C C . THR A 1 98 ? 9.494 34.315 8.999 1.00 29.00 ? 790 THR A C 1 \nATOM 693 O O . THR A 1 98 ? 9.635 35.461 9.477 1.00 29.51 ? 790 THR A O 1 \nATOM 694 C CB . THR A 1 98 ? 11.412 32.818 8.305 1.00 30.02 ? 790 THR A CB 1 \nATOM 695 O OG1 . THR A 1 98 ? 10.789 31.611 8.765 1.00 34.01 ? 790 THR A OG1 1 \nATOM 696 C CG2 . THR A 1 98 ? 12.237 33.433 9.444 1.00 31.21 ? 790 THR A CG2 1 \nATOM 697 N N . GLN A 1 99 ? 8.618 33.441 9.488 1.00 30.66 ? 791 GLN A N 1 \nATOM 698 C CA . GLN A 1 99 ? 7.785 33.807 10.630 1.00 36.46 ? 791 GLN A CA 1 \nATOM 699 C C . GLN A 1 99 ? 8.674 34.148 11.824 1.00 34.02 ? 791 GLN A C 1 \nATOM 700 O O . GLN A 1 99 ? 9.592 33.396 12.152 1.00 33.64 ? 791 GLN A O 1 \nATOM 701 C CB . GLN A 1 99 ? 6.819 32.678 10.987 1.00 35.09 ? 791 GLN A CB 1 \nATOM 702 C CG . GLN A 1 99 ? 5.969 32.941 12.226 1.00 43.19 ? 791 GLN A CG 1 \nATOM 703 C CD . GLN A 1 99 ? 5.029 31.789 12.571 1.00 55.79 ? 791 GLN A CD 1 \nATOM 704 O OE1 . GLN A 1 99 ? 5.093 30.712 11.975 1.00 52.44 ? 791 GLN A OE1 1 \nATOM 705 N NE2 . GLN A 1 99 ? 4.162 32.011 13.552 1.00 61.70 ? 791 GLN A NE2 1 \nATOM 706 N N . LEU A 1 100 ? 8.411 35.287 12.464 1.00 31.17 ? 792 LEU A N 1 \nATOM 707 C CA . LEU A 1 100 ? 9.174 35.661 13.656 1.00 33.99 ? 792 LEU A CA 1 \nATOM 708 C C . LEU A 1 100 ? 8.850 34.728 14.811 1.00 43.25 ? 792 LEU A C 1 \nATOM 709 O O . LEU A 1 100 ? 7.684 34.452 15.080 1.00 34.41 ? 792 LEU A O 1 \nATOM 710 C CB . LEU A 1 100 ? 8.922 37.111 14.075 1.00 29.38 ? 792 LEU A CB 1 \nATOM 711 C CG . LEU A 1 100 ? 9.671 37.595 15.317 1.00 33.72 ? 792 LEU A CG 1 \nATOM 712 C CD1 . LEU A 1 100 ? 11.186 37.568 15.018 1.00 31.79 ? 792 LEU A CD1 1 \nATOM 713 C CD2 . LEU A 1 100 ? 9.205 38.962 15.810 1.00 33.47 ? 792 LEU A CD2 1 \nATOM 714 N N . MET A 1 101 ? 9.888 34.228 15.477 1.00 34.59 ? 793 MET A N 1 \nATOM 715 C CA . MET A 1 101 ? 9.710 33.390 16.667 1.00 38.57 ? 793 MET A CA 1 \nATOM 716 C C . MET A 1 101 ? 10.133 34.232 17.866 1.00 35.33 ? 793 MET A C 1 \nATOM 717 O O . MET A 1 101 ? 11.318 34.339 18.163 1.00 31.81 ? 793 MET A O 1 \nATOM 718 C CB . MET A 1 101 ? 10.542 32.098 16.609 1.00 31.33 ? 793 MET A CB 1 \nATOM 719 C CG . MET A 1 101 ? 10.279 31.184 15.428 1.00 47.71 ? 793 MET A CG 1 \nATOM 720 S SD . MET A 1 101 ? 8.821 30.169 15.693 1.00 56.46 ? 793 MET A SD 1 \nATOM 721 C CE . MET A 1 101 ? 7.733 30.916 14.499 1.00 48.95 ? 793 MET A CE 1 \nATOM 722 N N . PRO A 1 102 ? 9.162 34.859 18.553 1.00 35.55 ? 794 PRO A N 1 \nATOM 723 C CA . PRO A 1 102 ? 9.545 35.860 19.543 1.00 30.76 ? 794 PRO A CA 1 \nATOM 724 C C . PRO A 1 102 ? 9.986 35.307 20.884 1.00 28.26 ? 794 PRO A C 1 \nATOM 725 O O . PRO A 1 102 ? 10.447 36.072 21.701 1.00 34.35 ? 794 PRO A O 1 \nATOM 726 C CB . PRO A 1 102 ? 8.248 36.694 19.710 1.00 42.71 ? 794 PRO A CB 1 \nATOM 727 C CG . PRO A 1 102 ? 7.172 35.699 19.470 1.00 43.64 ? 794 PRO A CG 1 \nATOM 728 C CD . PRO A 1 102 ? 7.693 34.780 18.392 1.00 44.18 ? 794 PRO A CD 1 \nATOM 729 N N . PHE A 1 103 ? 9.891 33.990 21.115 1.00 29.98 ? 795 PHE A N 1 \nATOM 730 C CA . PHE A 1 103 ? 10.526 33.422 22.310 1.00 33.66 ? 795 PHE A CA 1 \nATOM 731 C C . PHE A 1 103 ? 12.029 33.222 22.148 1.00 31.23 ? 795 PHE A C 1 \nATOM 732 O O . PHE A 1 103 ? 12.724 32.956 23.132 1.00 37.68 ? 795 PHE A O 1 \nATOM 733 C CB . PHE A 1 103 ? 9.840 32.132 22.793 1.00 39.00 ? 795 PHE A CB 1 \nATOM 734 C CG . PHE A 1 103 ? 8.409 32.336 23.205 1.00 47.26 ? 795 PHE A CG 1 \nATOM 735 C CD1 . PHE A 1 103 ? 7.408 31.504 22.721 1.00 53.18 ? 795 PHE A CD1 1 \nATOM 736 C CD2 . PHE A 1 103 ? 8.058 33.381 24.059 1.00 58.22 ? 795 PHE A CD2 1 \nATOM 737 C CE1 . PHE A 1 103 ? 6.080 31.702 23.090 1.00 72.79 ? 795 PHE A CE1 1 \nATOM 738 C CE2 . PHE A 1 103 ? 6.734 33.585 24.431 1.00 64.24 ? 795 PHE A CE2 1 \nATOM 739 C CZ . PHE A 1 103 ? 5.742 32.745 23.944 1.00 67.83 ? 795 PHE A CZ 1 \nATOM 740 N N . GLY A 1 104 ? 12.521 33.370 20.915 1.00 32.03 ? 796 GLY A N 1 \nATOM 741 C CA . GLY A 1 104 ? 13.979 33.388 20.629 1.00 34.05 ? 796 GLY A CA 1 \nATOM 742 C C . GLY A 1 104 ? 14.608 32.018 20.441 1.00 33.43 ? 796 GLY A C 1 \nATOM 743 O O . GLY A 1 104 ? 13.889 31.009 20.242 1.00 31.30 ? 796 GLY A O 1 \nATOM 744 N N . CYS A 1 105 ? 15.943 31.954 20.486 1.00 30.57 ? 797 CYS A N 1 \nATOM 745 C CA . CYS A 1 105 ? 16.586 30.652 20.281 1.00 29.37 ? 797 CYS A CA 1 \nATOM 746 C C . CYS A 1 105 ? 16.668 29.805 21.550 1.00 30.71 ? 797 CYS A C 1 \nATOM 747 O O . CYS A 1 105 ? 16.623 30.314 22.695 1.00 30.01 ? 797 CYS A O 1 \nATOM 748 C CB . CYS A 1 105 ? 17.978 30.814 19.648 1.00 43.11 ? 797 CYS A CB 1 \nATOM 749 S SG . CYS A 1 105 ? 19.123 31.656 20.730 1.00 58.13 ? 797 CYS A SG 1 \nATOM 750 N N . LEU A 1 106 ? 16.791 28.495 21.342 1.00 35.30 ? 798 LEU A N 1 \nATOM 751 C CA . LEU A 1 106 ? 16.874 27.549 22.445 1.00 34.49 ? 798 LEU A CA 1 \nATOM 752 C C . LEU A 1 106 ? 18.173 27.763 23.222 1.00 29.27 ? 798 LEU A C 1 \nATOM 753 O O . LEU A 1 106 ? 18.205 27.541 24.431 1.00 31.95 ? 798 LEU A O 1 \nATOM 754 C CB . LEU A 1 106 ? 16.769 26.092 21.946 1.00 28.13 ? 798 LEU A CB 1 \nATOM 755 C CG . LEU A 1 106 ? 16.579 25.005 23.020 1.00 30.34 ? 798 LEU A CG 1 \nATOM 756 C CD1 . LEU A 1 106 ? 15.398 25.294 23.961 1.00 34.84 ? 798 LEU A CD1 1 \nATOM 757 C CD2 . LEU A 1 106 ? 16.357 23.627 22.364 1.00 29.21 ? 798 LEU A CD2 1 \nATOM 758 N N . LEU A 1 107 ? 19.221 28.218 22.540 1.00 31.78 ? 799 LEU A N 1 \nATOM 759 C CA . LEU A 1 107 ? 20.484 28.489 23.226 1.00 30.68 ? 799 LEU A CA 1 \nATOM 760 C C . LEU A 1 107 ? 20.288 29.581 24.284 1.00 32.64 ? 799 LEU A C 1 \nATOM 761 O O . LEU A 1 107 ? 20.748 29.461 25.421 1.00 31.25 ? 799 LEU A O 1 \nATOM 762 C CB . LEU A 1 107 ? 21.592 28.875 22.230 1.00 32.88 ? 799 LEU A CB 1 \nATOM 763 C CG . LEU A 1 107 ? 22.929 29.276 22.874 1.00 31.32 ? 799 LEU A CG 1 \nATOM 764 C CD1 . LEU A 1 107 ? 23.518 28.108 23.667 1.00 36.85 ? 799 LEU A CD1 1 \nATOM 765 C CD2 . LEU A 1 107 ? 23.967 29.769 21.868 1.00 36.94 ? 799 LEU A CD2 1 \nATOM 766 N N . ASP A 1 108 ? 19.583 30.643 23.912 1.00 32.68 ? 800 ASP A N 1 \nATOM 767 C CA . ASP A 1 108 ? 19.374 31.739 24.855 1.00 34.91 ? 800 ASP A CA 1 \nATOM 768 C C . ASP A 1 108 ? 18.443 31.291 25.942 1.00 31.79 ? 800 ASP A C 1 \nATOM 769 O O . ASP A 1 108 ? 18.597 31.688 27.095 1.00 32.60 ? 800 ASP A O 1 \nATOM 770 C CB . ASP A 1 108 ? 18.845 32.992 24.160 1.00 34.98 ? 800 ASP A CB 1 \nATOM 771 C CG . ASP A 1 108 ? 19.900 33.683 23.315 1.00 52.24 ? 800 ASP A CG 1 \nATOM 772 O OD1 . ASP A 1 108 ? 19.513 34.368 22.349 1.00 55.86 ? 800 ASP A OD1 1 \nATOM 773 O OD2 . ASP A 1 108 ? 21.114 33.544 23.610 1.00 50.16 ? 800 ASP A OD2 1 \nATOM 774 N N . TYR A 1 109 ? 17.485 30.434 25.575 1.00 32.99 ? 801 TYR A N 1 \nATOM 775 C CA . TYR A 1 109 ? 16.480 29.942 26.513 1.00 37.10 ? 801 TYR A CA 1 \nATOM 776 C C . TYR A 1 109 ? 17.077 29.074 27.614 1.00 36.24 ? 801 TYR A C 1 \nATOM 777 O O . TYR A 1 109 ? 16.769 29.274 28.794 1.00 36.20 ? 801 TYR A O 1 \nATOM 778 C CB . TYR A 1 109 ? 15.381 29.168 25.781 1.00 31.79 ? 801 TYR A CB 1 \nATOM 779 C CG . TYR A 1 109 ? 14.195 28.833 26.648 1.00 40.70 ? 801 TYR A CG 1 \nATOM 780 C CD1 . TYR A 1 109 ? 14.160 27.658 27.392 1.00 40.54 ? 801 TYR A CD1 1 \nATOM 781 C CD2 . TYR A 1 109 ? 13.087 29.703 26.717 1.00 40.28 ? 801 TYR A CD2 1 \nATOM 782 C CE1 . TYR A 1 109 ? 13.060 27.344 28.187 1.00 45.35 ? 801 TYR A CE1 1 \nATOM 783 C CE2 . TYR A 1 109 ? 11.985 29.402 27.512 1.00 47.53 ? 801 TYR A CE2 1 \nATOM 784 C CZ . TYR A 1 109 ? 11.979 28.223 28.241 1.00 48.21 ? 801 TYR A CZ 1 \nATOM 785 O OH . TYR A 1 109 ? 10.900 27.909 29.028 1.00 52.74 ? 801 TYR A OH 1 \nATOM 786 N N . VAL A 1 110 ? 17.945 28.132 27.248 1.00 34.38 ? 802 VAL A N 1 \nATOM 787 C CA . VAL A 1 110 ? 18.619 27.317 28.275 1.00 32.90 ? 802 VAL A CA 1 \nATOM 788 C C . VAL A 1 110 ? 19.560 28.099 29.203 1.00 35.29 ? 802 VAL A C 1 \nATOM 789 O O . VAL A 1 110 ? 19.650 27.794 30.384 1.00 36.18 ? 802 VAL A O 1 \nATOM 790 C CB . VAL A 1 110 ? 19.318 26.049 27.707 1.00 35.68 ? 802 VAL A CB 1 \nATOM 791 C CG1 . VAL A 1 110 ? 18.309 25.183 26.975 1.00 32.43 ? 802 VAL A CG1 1 \nATOM 792 C CG2 . VAL A 1 110 ? 20.491 26.388 26.799 1.00 30.24 ? 802 VAL A CG2 1 \nATOM 793 N N . ARG A 1 111 ? 20.273 29.077 28.652 1.00 35.21 ? 803 ARG A N 1 \nATOM 794 C CA . ARG A 1 111 ? 21.118 29.983 29.430 1.00 34.14 ? 803 ARG A CA 1 \nATOM 795 C C . ARG A 1 111 ? 20.283 30.806 30.422 1.00 34.89 ? 803 ARG A C 1 \nATOM 796 O O . ARG A 1 111 ? 20.659 30.943 31.581 1.00 36.87 ? 803 ARG A O 1 \nATOM 797 C CB . ARG A 1 111 ? 21.882 30.923 28.493 1.00 37.80 ? 803 ARG A CB 1 \nATOM 798 C CG . ARG A 1 111 ? 23.077 30.252 27.824 1.00 40.47 ? 803 ARG A CG 1 \nATOM 799 C CD . ARG A 1 111 ? 23.626 31.102 26.693 1.00 37.81 ? 803 ARG A CD 1 \nATOM 800 N NE . ARG A 1 111 ? 24.840 30.526 26.094 1.00 31.61 ? 803 ARG A NE 1 \nATOM 801 C CZ . ARG A 1 111 ? 25.558 31.121 25.144 1.00 42.39 ? 803 ARG A CZ 1 \nATOM 802 N NH1 . ARG A 1 111 ? 25.187 32.304 24.666 1.00 40.81 ? 803 ARG A NH1 1 \nATOM 803 N NH2 . ARG A 1 111 ? 26.647 30.541 24.660 1.00 37.03 ? 803 ARG A NH2 1 \nATOM 804 N N . GLU A 1 112 ? 19.133 31.303 29.973 1.00 38.72 ? 804 GLU A N 1 \nATOM 805 C CA . GLU A 1 112 ? 18.271 32.145 30.822 1.00 41.32 ? 804 GLU A CA 1 \nATOM 806 C C . GLU A 1 112 ? 17.514 31.355 31.902 1.00 49.15 ? 804 GLU A C 1 \nATOM 807 O O . GLU A 1 112 ? 17.378 31.812 33.048 1.00 42.48 ? 804 GLU A O 1 \nATOM 808 C CB . GLU A 1 112 ? 17.299 32.946 29.948 1.00 41.36 ? 804 GLU A CB 1 \nATOM 809 C CG . GLU A 1 112 ? 16.339 33.862 30.708 1.00 59.06 ? 804 GLU A CG 1 \nATOM 810 C CD . GLU A 1 112 ? 16.924 35.233 31.006 1.00 77.26 ? 804 GLU A CD 1 \nATOM 811 O OE1 . GLU A 1 112 ? 18.167 35.388 30.997 1.00 77.65 ? 804 GLU A OE1 1 \nATOM 812 O OE2 . GLU A 1 112 ? 16.130 36.168 31.246 1.00 98.71 ? 804 GLU A OE2 1 \nATOM 813 N N . HIS A 1 113 ? 17.039 30.166 31.541 1.00 38.93 ? 805 HIS A N 1 \nATOM 814 C CA . HIS A 1 113 ? 16.138 29.400 32.401 1.00 43.34 ? 805 HIS A CA 1 \nATOM 815 C C . HIS A 1 113 ? 16.748 28.177 33.068 1.00 43.35 ? 805 HIS A C 1 \nATOM 816 O O . HIS A 1 113 ? 16.020 27.342 33.600 1.00 51.79 ? 805 HIS A O 1 \nATOM 817 C CB . HIS A 1 113 ? 14.870 29.006 31.632 1.00 44.55 ? 805 HIS A CB 1 \nATOM 818 C CG . HIS A 1 113 ? 14.083 30.182 31.156 1.00 52.86 ? 805 HIS A CG 1 \nATOM 819 N ND1 . HIS A 1 113 ? 14.167 30.660 29.867 1.00 54.67 ? 805 HIS A ND1 1 \nATOM 820 C CD2 . HIS A 1 113 ? 13.232 31.007 31.809 1.00 55.38 ? 805 HIS A CD2 1 \nATOM 821 C CE1 . HIS A 1 113 ? 13.389 31.720 29.742 1.00 60.50 ? 805 HIS A CE1 1 \nATOM 822 N NE2 . HIS A 1 113 ? 12.809 31.950 30.905 1.00 62.29 ? 805 HIS A NE2 1 \nATOM 823 N N . LYS A 1 114 ? 18.074 28.090 33.066 1.00 44.74 ? 806 LYS A N 1 \nATOM 824 C CA . LYS A 1 114 ? 18.785 26.942 33.615 1.00 45.17 ? 806 LYS A CA 1 \nATOM 825 C C . LYS A 1 114 ? 18.172 26.384 34.918 1.00 56.68 ? 806 LYS A C 1 \nATOM 826 O O . LYS A 1 114 ? 17.865 25.192 35.011 1.00 53.97 ? 806 LYS A O 1 \nATOM 827 C CB . LYS A 1 114 ? 20.268 27.288 33.806 1.00 43.12 ? 806 LYS A CB 1 \nATOM 828 C CG . LYS A 1 114 ? 21.042 26.183 34.499 1.00 58.87 ? 806 LYS A CG 1 \nATOM 829 C CD . LYS A 1 114 ? 22.491 26.560 34.763 1.00 64.56 ? 806 LYS A CD 1 \nATOM 830 C CE . LYS A 1 114 ? 23.200 25.398 35.441 1.00 65.16 ? 806 LYS A CE 1 \nATOM 831 N NZ . LYS A 1 114 ? 24.382 25.844 36.218 1.00 60.36 ? 806 LYS A NZ 1 \nATOM 832 N N . ASP A 1 115 ? 17.965 27.256 35.904 1.00 53.18 ? 807 ASP A N 1 \nATOM 833 C CA . ASP A 1 115 ? 17.482 26.843 37.231 1.00 56.78 ? 807 ASP A CA 1 \nATOM 834 C C . ASP A 1 115 ? 16.028 26.323 37.271 1.00 63.01 ? 807 ASP A C 1 \nATOM 835 O O . ASP A 1 115 ? 15.553 25.851 38.313 1.00 56.81 ? 807 ASP A O 1 \nATOM 836 C CB . ASP A 1 115 ? 17.667 27.995 38.233 1.00 62.76 ? 807 ASP A CB 1 \nATOM 837 C CG . ASP A 1 115 ? 19.124 28.431 38.363 1.00 73.79 ? 807 ASP A CG 1 \nATOM 838 O OD1 . ASP A 1 115 ? 20.027 27.618 38.050 1.00 68.87 ? 807 ASP A OD1 1 \nATOM 839 O OD2 . ASP A 1 115 ? 19.366 29.586 38.782 1.00 75.03 ? 807 ASP A OD2 1 \nATOM 840 N N . ASN A 1 116 ? 15.330 26.396 36.142 1.00 45.89 ? 808 ASN A N 1 \nATOM 841 C CA . ASN A 1 116 ? 13.943 25.914 36.067 1.00 56.29 ? 808 ASN A CA 1 \nATOM 842 C C . ASN A 1 116 ? 13.695 24.837 35.025 1.00 52.02 ? 808 ASN A C 1 \nATOM 843 O O . ASN A 1 116 ? 12.554 24.400 34.845 1.00 49.29 ? 808 ASN A O 1 \nATOM 844 C CB . ASN A 1 116 ? 12.980 27.078 35.838 1.00 48.40 ? 808 ASN A CB 1 \nATOM 845 C CG . ASN A 1 116 ? 12.826 27.946 37.065 1.00 62.63 ? 808 ASN A CG 1 \nATOM 846 O OD1 . ASN A 1 116 ? 12.477 27.461 38.144 1.00 73.28 ? 808 ASN A OD1 1 \nATOM 847 N ND2 . ASN A 1 116 ? 13.085 29.238 36.909 1.00 61.06 ? 808 ASN A ND2 1 \nATOM 848 N N . ILE A 1 117 ? 14.753 24.416 34.339 1.00 48.57 ? 809 ILE A N 1 \nATOM 849 C CA . ILE A 1 117 ? 14.637 23.400 33.288 1.00 41.03 ? 809 ILE A CA 1 \nATOM 850 C C . ILE A 1 117 ? 14.874 21.999 33.849 1.00 45.86 ? 809 ILE A C 1 \nATOM 851 O O . ILE A 1 117 ? 15.958 21.694 34.351 1.00 41.10 ? 809 ILE A O 1 \nATOM 852 C CB . ILE A 1 117 ? 15.604 23.686 32.115 1.00 41.13 ? 809 ILE A CB 1 \nATOM 853 C CG1 . ILE A 1 117 ? 15.190 24.972 31.390 1.00 35.35 ? 809 ILE A CG1 1 \nATOM 854 C CG2 . ILE A 1 117 ? 15.645 22.510 31.144 1.00 38.57 ? 809 ILE A CG2 1 \nATOM 855 C CD1 . ILE A 1 117 ? 16.272 25.545 30.484 1.00 34.81 ? 809 ILE A CD1 1 \nATOM 856 N N . GLY A 1 118 ? 13.852 21.151 33.736 1.00 42.20 ? 810 GLY A N 1 \nATOM 857 C CA . GLY A 1 118 ? 13.925 19.761 34.180 1.00 45.43 ? 810 GLY A CA 1 \nATOM 858 C C . GLY A 1 118 ? 14.296 18.770 33.086 1.00 40.55 ? 810 GLY A C 1 \nATOM 859 O O . GLY A 1 118 ? 14.349 19.116 31.901 1.00 40.46 ? 810 GLY A O 1 \nATOM 860 N N . SER A 1 119 ? 14.534 17.525 33.485 1.00 36.70 ? 811 SER A N 1 \nATOM 861 C CA . SER A 1 119 ? 15.009 16.508 32.567 1.00 39.63 ? 811 SER A CA 1 \nATOM 862 C C . SER A 1 119 ? 14.044 16.236 31.431 1.00 40.65 ? 811 SER A C 1 \nATOM 863 O O . SER A 1 119 ? 14.482 15.944 30.322 1.00 35.55 ? 811 SER A O 1 \nATOM 864 C CB . SER A 1 119 ? 15.310 15.211 33.314 1.00 42.84 ? 811 SER A CB 1 \nATOM 865 O OG . SER A 1 119 ? 14.205 14.860 34.128 1.00 46.09 ? 811 SER A OG 1 \nATOM 866 N N . GLN A 1 120 ? 12.738 16.306 31.721 1.00 36.00 ? 812 GLN A N 1 \nATOM 867 C CA . GLN A 1 120 ? 11.706 16.021 30.737 1.00 37.19 ? 812 GLN A CA 1 \nATOM 868 C C . GLN A 1 120 ? 11.785 16.967 29.549 1.00 36.52 ? 812 GLN A C 1 \nATOM 869 O O . GLN A 1 120 ? 11.662 16.540 28.397 1.00 33.95 ? 812 GLN A O 1 \nATOM 870 C CB . GLN A 1 120 ? 10.313 16.118 31.379 1.00 42.80 ? 812 GLN A CB 1 \nATOM 871 C CG . GLN A 1 120 ? 9.171 15.675 30.473 1.00 41.78 ? 812 GLN A CG 1 \nATOM 872 C CD . GLN A 1 120 ? 9.182 14.179 30.210 1.00 46.95 ? 812 GLN A CD 1 \nATOM 873 O OE1 . GLN A 1 120 ? 8.750 13.390 31.044 1.00 44.42 ? 812 GLN A OE1 1 \nATOM 874 N NE2 . GLN A 1 120 ? 9.675 13.785 29.044 1.00 42.08 ? 812 GLN A NE2 1 \nATOM 875 N N . TYR A 1 121 ? 11.963 18.254 29.832 1.00 32.34 ? 813 TYR A N 1 \nATOM 876 C CA . TYR A 1 121 ? 12.030 19.240 28.771 1.00 32.29 ? 813 TYR A CA 1 \nATOM 877 C C . TYR A 1 121 ? 13.266 19.034 27.908 1.00 31.16 ? 813 TYR A C 1 \nATOM 878 O O . TYR A 1 121 ? 13.163 19.089 26.680 1.00 29.68 ? 813 TYR A O 1 \nATOM 879 C CB . TYR A 1 121 ? 12.024 20.652 29.344 1.00 38.14 ? 813 TYR A CB 1 \nATOM 880 C CG . TYR A 1 121 ? 10.622 21.155 29.638 1.00 51.63 ? 813 TYR A CG 1 \nATOM 881 C CD1 . TYR A 1 121 ? 9.906 21.869 28.679 1.00 54.26 ? 813 TYR A CD1 1 \nATOM 882 C CD2 . TYR A 1 121 ? 10.009 20.895 30.864 1.00 53.00 ? 813 TYR A CD2 1 \nATOM 883 C CE1 . TYR A 1 121 ? 8.622 22.329 28.940 1.00 68.44 ? 813 TYR A CE1 1 \nATOM 884 C CE2 . TYR A 1 121 ? 8.726 21.352 31.135 1.00 63.66 ? 813 TYR A CE2 1 \nATOM 885 C CZ . TYR A 1 121 ? 8.039 22.066 30.169 1.00 71.43 ? 813 TYR A CZ 1 \nATOM 886 O OH . TYR A 1 121 ? 6.767 22.523 30.430 1.00 76.05 ? 813 TYR A OH 1 \nATOM 887 N N . LEU A 1 122 ? 14.420 18.807 28.549 1.00 36.58 ? 814 LEU A N 1 \nATOM 888 C CA . LEU A 1 122 ? 15.674 18.661 27.821 1.00 30.86 ? 814 LEU A CA 1 \nATOM 889 C C . LEU A 1 122 ? 15.637 17.463 26.892 1.00 35.35 ? 814 LEU A C 1 \nATOM 890 O O . LEU A 1 122 ? 16.056 17.551 25.749 1.00 32.61 ? 814 LEU A O 1 \nATOM 891 C CB . LEU A 1 122 ? 16.871 18.486 28.781 1.00 34.36 ? 814 LEU A CB 1 \nATOM 892 C CG . LEU A 1 122 ? 17.315 19.756 29.502 1.00 32.88 ? 814 LEU A CG 1 \nATOM 893 C CD1 . LEU A 1 122 ? 18.045 19.417 30.796 1.00 31.09 ? 814 LEU A CD1 1 \nATOM 894 C CD2 . LEU A 1 122 ? 18.149 20.612 28.556 1.00 31.70 ? 814 LEU A CD2 1 \nATOM 895 N N . LEU A 1 123 ? 15.127 16.340 27.389 1.00 32.49 ? 815 LEU A N 1 \nATOM 896 C CA . LEU A 1 123 ? 15.018 15.148 26.557 1.00 32.42 ? 815 LEU A CA 1 \nATOM 897 C C . LEU A 1 123 ? 13.996 15.297 25.445 1.00 28.76 ? 815 LEU A C 1 \nATOM 898 O O . LEU A 1 123 ? 14.208 14.802 24.337 1.00 26.06 ? 815 LEU A O 1 \nATOM 899 C CB . LEU A 1 123 ? 14.741 13.911 27.415 1.00 29.83 ? 815 LEU A CB 1 \nATOM 900 C CG . LEU A 1 123 ? 15.915 13.501 28.312 1.00 33.92 ? 815 LEU A CG 1 \nATOM 901 C CD1 . LEU A 1 123 ? 15.462 12.483 29.345 1.00 36.17 ? 815 LEU A CD1 1 \nATOM 902 C CD2 . LEU A 1 123 ? 17.080 12.941 27.508 1.00 37.71 ? 815 LEU A CD2 1 \nATOM 903 N N . ASN A 1 124 ? 12.867 15.947 25.736 1.00 30.63 ? 816 ASN A N 1 \nATOM 904 C CA . ASN A 1 124 ? 11.881 16.223 24.681 1.00 31.65 ? 816 ASN A CA 1 \nATOM 905 C C . ASN A 1 124 ? 12.464 17.122 23.582 1.00 28.45 ? 816 ASN A C 1 \nATOM 906 O O . ASN A 1 124 ? 12.242 16.892 22.404 1.00 28.56 ? 816 ASN A O 1 \nATOM 907 C CB . ASN A 1 124 ? 10.589 16.848 25.249 1.00 31.15 ? 816 ASN A CB 1 \nATOM 908 C CG . ASN A 1 124 ? 9.707 15.839 25.984 1.00 41.85 ? 816 ASN A CG 1 \nATOM 909 O OD1 . ASN A 1 124 ? 9.945 14.631 25.965 1.00 44.46 ? 816 ASN A OD1 1 \nATOM 910 N ND2 . ASN A 1 124 ? 8.653 16.349 26.627 1.00 44.28 ? 816 ASN A ND2 1 \nATOM 911 N N . TRP A 1 125 ? 13.245 18.122 23.953 1.00 31.52 ? 817 TRP A N 1 \nATOM 912 C CA . TRP A 1 125 ? 13.885 18.918 22.908 1.00 34.10 ? 817 TRP A CA 1 \nATOM 913 C C . TRP A 1 125 ? 14.764 18.075 21.997 1.00 28.46 ? 817 TRP A C 1 \nATOM 914 O O . TRP A 1 125 ? 14.776 18.295 20.785 1.00 27.78 ? 817 TRP A O 1 \nATOM 915 C CB . TRP A 1 125 ? 14.656 20.106 23.455 1.00 35.22 ? 817 TRP A CB 1 \nATOM 916 C CG . TRP A 1 125 ? 13.763 21.120 24.175 1.00 35.48 ? 817 TRP A CG 1 \nATOM 917 C CD1 . TRP A 1 125 ? 12.435 21.414 23.920 1.00 38.29 ? 817 TRP A CD1 1 \nATOM 918 C CD2 . TRP A 1 125 ? 14.147 21.925 25.286 1.00 33.22 ? 817 TRP A CD2 1 \nATOM 919 N NE1 . TRP A 1 125 ? 11.996 22.373 24.796 1.00 34.21 ? 817 TRP A NE1 1 \nATOM 920 C CE2 . TRP A 1 125 ? 13.019 22.700 25.653 1.00 42.26 ? 817 TRP A CE2 1 \nATOM 921 C CE3 . TRP A 1 125 ? 15.343 22.066 26.017 1.00 35.06 ? 817 TRP A CE3 1 \nATOM 922 C CZ2 . TRP A 1 125 ? 13.048 23.613 26.725 1.00 36.27 ? 817 TRP A CZ2 1 \nATOM 923 C CZ3 . TRP A 1 125 ? 15.376 22.974 27.084 1.00 37.42 ? 817 TRP A CZ3 1 \nATOM 924 C CH2 . TRP A 1 125 ? 14.226 23.738 27.424 1.00 39.45 ? 817 TRP A CH2 1 \nATOM 925 N N . CYS A 1 126 ? 15.495 17.121 22.578 1.00 31.30 ? 818 CYS A N 1 \nATOM 926 C CA . CYS A 1 126 ? 16.398 16.272 21.797 1.00 28.29 ? 818 CYS A CA 1 \nATOM 927 C C . CYS A 1 126 ? 15.629 15.435 20.803 1.00 27.53 ? 818 CYS A C 1 \nATOM 928 O O . CYS A 1 126 ? 16.079 15.239 19.659 1.00 24.60 ? 818 CYS A O 1 \nATOM 929 C CB . CYS A 1 126 ? 17.216 15.373 22.712 1.00 30.70 ? 818 CYS A CB 1 \nATOM 930 S SG . CYS A 1 126 ? 18.371 16.323 23.741 1.00 32.48 ? 818 CYS A SG 1 \nATOM 931 N N . VAL A 1 127 ? 14.447 14.962 21.226 1.00 29.56 ? 819 VAL A N 1 \nATOM 932 C CA . VAL A 1 127 ? 13.585 14.184 20.330 1.00 26.87 ? 819 VAL A CA 1 \nATOM 933 C C . VAL A 1 127 ? 13.133 15.070 19.189 1.00 22.48 ? 819 VAL A C 1 \nATOM 934 O O . VAL A 1 127 ? 13.221 14.688 18.026 1.00 27.83 ? 819 VAL A O 1 \nATOM 935 C CB . VAL A 1 127 ? 12.334 13.601 21.046 1.00 30.60 ? 819 VAL A CB 1 \nATOM 936 C CG1 . VAL A 1 127 ? 11.386 12.992 20.031 1.00 33.23 ? 819 VAL A CG1 1 \nATOM 937 C CG2 . VAL A 1 127 ? 12.751 12.531 22.052 1.00 33.03 ? 819 VAL A CG2 1 \nATOM 938 N N . GLN A 1 128 ? 12.588 16.240 19.538 1.00 25.20 ? 820 GLN A N 1 \nATOM 939 C CA . GLN A 1 128 ? 12.071 17.161 18.544 1.00 24.15 ? 820 GLN A CA 1 \nATOM 940 C C . GLN A 1 128 ? 13.084 17.584 17.506 1.00 28.99 ? 820 GLN A C 1 \nATOM 941 O O . GLN A 1 128 ? 12.771 17.653 16.320 1.00 26.26 ? 820 GLN A O 1 \nATOM 942 C CB . GLN A 1 128 ? 11.485 18.387 19.236 1.00 30.21 ? 820 GLN A CB 1 \nATOM 943 C CG . GLN A 1 128 ? 10.167 18.044 19.948 1.00 29.63 ? 820 GLN A CG 1 \nATOM 944 C CD . GLN A 1 128 ? 9.625 19.192 20.778 1.00 40.17 ? 820 GLN A CD 1 \nATOM 945 O OE1 . GLN A 1 128 ? 10.012 20.344 20.586 1.00 38.95 ? 820 GLN A OE1 1 \nATOM 946 N NE2 . GLN A 1 128 ? 8.715 18.876 21.719 1.00 39.16 ? 820 GLN A NE2 1 \nATOM 947 N N . ILE A 1 129 ? 14.286 17.887 17.970 1.00 26.92 ? 821 ILE A N 1 \nATOM 948 C CA . ILE A 1 129 ? 15.378 18.243 17.044 1.00 27.15 ? 821 ILE A CA 1 \nATOM 949 C C . ILE A 1 129 ? 15.708 17.057 16.121 1.00 21.32 ? 821 ILE A C 1 \nATOM 950 O O . ILE A 1 129 ? 15.835 17.221 14.917 1.00 22.85 ? 821 ILE A O 1 \nATOM 951 C CB . ILE A 1 129 ? 16.633 18.777 17.769 1.00 28.62 ? 821 ILE A CB 1 \nATOM 952 C CG1 . ILE A 1 129 ? 16.328 20.096 18.516 1.00 25.26 ? 821 ILE A CG1 1 \nATOM 953 C CG2 . ILE A 1 129 ? 17.749 18.986 16.749 1.00 24.04 ? 821 ILE A CG2 1 \nATOM 954 C CD1 . ILE A 1 129 ? 17.358 20.475 19.579 1.00 24.33 ? 821 ILE A CD1 1 \nATOM 955 N N . ALA A 1 130 ? 15.776 15.855 16.678 1.00 23.15 ? 822 ALA A N 1 \nATOM 956 C CA . ALA A 1 130 ? 16.024 14.676 15.861 1.00 26.29 ? 822 ALA A CA 1 \nATOM 957 C C . ALA A 1 130 ? 14.870 14.421 14.888 1.00 22.85 ? 822 ALA A C 1 \nATOM 958 O O . ALA A 1 130 ? 15.078 14.004 13.766 1.00 22.39 ? 822 ALA A O 1 \nATOM 959 C CB . ALA A 1 130 ? 16.303 13.459 16.738 1.00 32.12 ? 822 ALA A CB 1 \nATOM 960 N N . LYS A 1 131 ? 13.620 14.706 15.281 1.00 22.94 ? 823 LYS A N 1 \nATOM 961 C CA . LYS A 1 131 ? 12.570 14.518 14.276 1.00 24.82 ? 823 LYS A CA 1 \nATOM 962 C C . LYS A 1 131 ? 12.712 15.503 13.100 1.00 23.26 ? 823 LYS A C 1 \nATOM 963 O O . LYS A 1 131 ? 12.557 15.124 11.928 1.00 26.11 ? 823 LYS A O 1 \nATOM 964 C CB . LYS A 1 131 ? 11.183 14.694 14.927 1.00 22.51 ? 823 LYS A CB 1 \nATOM 965 C CG . LYS A 1 131 ? 10.779 13.603 15.894 1.00 28.59 ? 823 LYS A CG 1 \nATOM 966 C CD . LYS A 1 131 ? 9.395 13.859 16.515 1.00 31.72 ? 823 LYS A CD 1 \nATOM 967 C CE . LYS A 1 131 ? 9.078 12.757 17.512 1.00 37.15 ? 823 LYS A CE 1 \nATOM 968 N NZ . LYS A 1 131 ? 7.670 12.819 18.034 1.00 38.50 ? 823 LYS A NZ 1 \nATOM 969 N N . GLY A 1 132 ? 12.985 16.775 13.391 1.00 25.36 ? 824 GLY A N 1 \nATOM 970 C CA . GLY A 1 132 ? 13.145 17.759 12.309 1.00 29.39 ? 824 GLY A CA 1 \nATOM 971 C C . GLY A 1 132 ? 14.330 17.419 11.403 1.00 26.12 ? 824 GLY A C 1 \nATOM 972 O O . GLY A 1 132 ? 14.287 17.590 10.179 1.00 24.27 ? 824 GLY A O 1 \nATOM 973 N N . MET A 1 133 ? 15.416 16.956 12.009 1.00 27.53 ? 825 MET A N 1 \nATOM 974 C CA . MET A 1 133 ? 16.585 16.546 11.189 1.00 24.74 ? 825 MET A CA 1 \nATOM 975 C C . MET A 1 133 ? 16.271 15.293 10.348 1.00 23.11 ? 825 MET A C 1 \nATOM 976 O O . MET A 1 133 ? 16.627 15.224 9.171 1.00 25.98 ? 825 MET A O 1 \nATOM 977 C CB . MET A 1 133 ? 17.820 16.335 12.068 1.00 26.81 ? 825 MET A CB 1 \nATOM 978 C CG . MET A 1 133 ? 18.301 17.619 12.738 1.00 28.15 ? 825 MET A CG 1 \nATOM 979 S SD . MET A 1 133 ? 18.784 18.939 11.613 1.00 28.88 ? 825 MET A SD 1 \nATOM 980 C CE . MET A 1 133 ? 20.287 18.281 10.877 1.00 27.33 ? 825 MET A CE 1 \nATOM 981 N N . ASN A 1 134 ? 15.517 14.352 10.905 1.00 27.36 ? 826 ASN A N 1 \nATOM 982 C CA . ASN A 1 134 ? 15.105 13.212 10.109 1.00 26.66 ? 826 ASN A CA 1 \nATOM 983 C C . ASN A 1 134 ? 14.194 13.641 8.933 1.00 24.20 ? 826 ASN A C 1 \nATOM 984 O O . ASN A 1 134 ? 14.274 13.071 7.825 1.00 22.04 ? 826 ASN A O 1 \nATOM 985 C CB . ASN A 1 134 ? 14.425 12.149 10.976 1.00 26.04 ? 826 ASN A CB 1 \nATOM 986 C CG . ASN A 1 134 ? 14.052 10.912 10.187 1.00 28.55 ? 826 ASN A CG 1 \nATOM 987 O OD1 . ASN A 1 134 ? 14.915 10.179 9.684 1.00 27.71 ? 826 ASN A OD1 1 \nATOM 988 N ND2 . ASN A 1 134 ? 12.746 10.665 10.078 1.00 31.03 ? 826 ASN A ND2 1 \nATOM 989 N N . TYR A 1 135 ? 13.365 14.662 9.159 1.00 30.63 ? 827 TYR A N 1 \nATOM 990 C CA . TYR A 1 135 ? 12.519 15.203 8.080 1.00 29.94 ? 827 TYR A CA 1 \nATOM 991 C C . TYR A 1 135 ? 13.389 15.835 7.001 1.00 30.42 ? 827 TYR A C 1 \nATOM 992 O O . TYR A 1 135 ? 13.182 15.591 5.813 1.00 26.26 ? 827 TYR A O 1 \nATOM 993 C CB . TYR A 1 135 ? 11.488 16.219 8.608 1.00 27.76 ? 827 TYR A CB 1 \nATOM 994 C CG . TYR A 1 135 ? 10.671 16.810 7.495 1.00 26.46 ? 827 TYR A CG 1 \nATOM 995 C CD1 . TYR A 1 135 ? 9.442 16.223 7.089 1.00 28.24 ? 827 TYR A CD1 1 \nATOM 996 C CD2 . TYR A 1 135 ? 11.074 17.986 6.891 1.00 26.58 ? 827 TYR A CD2 1 \nATOM 997 C CE1 . TYR A 1 135 ? 8.711 16.792 6.051 1.00 24.43 ? 827 TYR A CE1 1 \nATOM 998 C CE2 . TYR A 1 135 ? 10.380 18.533 5.846 1.00 24.77 ? 827 TYR A CE2 1 \nATOM 999 C CZ . TYR A 1 135 ? 9.154 17.955 5.472 1.00 29.96 ? 827 TYR A CZ 1 \nATOM 1000 O OH . TYR A 1 135 ? 8.510 18.524 4.443 1.00 28.47 ? 827 TYR A OH 1 \nATOM 1001 N N . LEU A 1 136 ? 14.400 16.619 7.395 1.00 28.36 ? 828 LEU A N 1 \nATOM 1002 C CA . LEU A 1 136 ? 15.313 17.165 6.391 1.00 30.91 ? 828 LEU A CA 1 \nATOM 1003 C C . LEU A 1 136 ? 16.033 16.056 5.597 1.00 25.76 ? 828 LEU A C 1 \nATOM 1004 O O . LEU A 1 136 ? 16.242 16.188 4.400 1.00 24.44 ? 828 LEU A O 1 \nATOM 1005 C CB . LEU A 1 136 ? 16.298 18.149 7.029 1.00 24.38 ? 828 LEU A CB 1 \nATOM 1006 C CG . LEU A 1 136 ? 15.708 19.448 7.601 1.00 26.71 ? 828 LEU A CG 1 \nATOM 1007 C CD1 . LEU A 1 136 ? 16.776 20.314 8.270 1.00 34.46 ? 828 LEU A CD1 1 \nATOM 1008 C CD2 . LEU A 1 136 ? 15.025 20.236 6.478 1.00 32.58 ? 828 LEU A CD2 1 \nATOM 1009 N N . GLU A 1 137 ? 16.362 14.944 6.253 1.00 26.25 ? 829 GLU A N 1 \nATOM 1010 C CA . GLU A 1 137 ? 17.037 13.848 5.551 1.00 25.11 ? 829 GLU A CA 1 \nATOM 1011 C C . GLU A 1 137 ? 16.085 13.197 4.524 1.00 28.25 ? 829 GLU A C 1 \nATOM 1012 O O . GLU A 1 137 ? 16.466 12.860 3.407 1.00 26.58 ? 829 GLU A O 1 \nATOM 1013 C CB . GLU A 1 137 ? 17.688 12.862 6.540 1.00 24.51 ? 829 GLU A CB 1 \nATOM 1014 C CG . GLU A 1 137 ? 18.425 11.676 5.898 1.00 30.84 ? 829 GLU A CG 1 \nATOM 1015 C CD . GLU A 1 137 ? 19.136 10.739 6.887 1.00 29.05 ? 829 GLU A CD 1 \nATOM 1016 O OE1 . GLU A 1 137 ? 19.042 10.932 8.126 1.00 33.17 ? 829 GLU A OE1 1 \nATOM 1017 O OE2 . GLU A 1 137 ? 19.758 9.762 6.413 1.00 25.79 ? 829 GLU A OE2 1 \nATOM 1018 N N . ASP A 1 138 ? 14.822 13.067 4.895 1.00 28.69 ? 830 ASP A N 1 \nATOM 1019 C CA . ASP A 1 138 ? 13.805 12.642 3.916 1.00 32.95 ? 830 ASP A CA 1 \nATOM 1020 C C . ASP A 1 138 ? 13.687 13.610 2.727 1.00 30.22 ? 830 ASP A C 1 \nATOM 1021 O O . ASP A 1 138 ? 13.474 13.181 1.591 1.00 31.90 ? 830 ASP A O 1 \nATOM 1022 C CB . ASP A 1 138 ? 12.453 12.404 4.600 1.00 30.71 ? 830 ASP A CB 1 \nATOM 1023 C CG . ASP A 1 138 ? 12.429 11.120 5.445 1.00 33.56 ? 830 ASP A CG 1 \nATOM 1024 O OD1 . ASP A 1 138 ? 11.726 11.097 6.469 1.00 33.94 ? 830 ASP A OD1 1 \nATOM 1025 O OD2 . ASP A 1 138 ? 13.131 10.142 5.116 1.00 34.53 ? 830 ASP A OD2 1 \nATOM 1026 N N . ARG A 1 139 ? 13.844 14.905 2.985 1.00 24.69 ? 831 ARG A N 1 \nATOM 1027 C CA . ARG A 1 139 ? 13.849 15.901 1.922 1.00 27.76 ? 831 ARG A CA 1 \nATOM 1028 C C . ARG A 1 139 ? 15.213 15.968 1.207 1.00 30.75 ? 831 ARG A C 1 \nATOM 1029 O O . ARG A 1 139 ? 15.390 16.755 0.314 1.00 33.68 ? 831 ARG A O 1 \nATOM 1030 C CB . ARG A 1 139 ? 13.443 17.294 2.460 1.00 31.23 ? 831 ARG A CB 1 \nATOM 1031 C CG . ARG A 1 139 ? 11.941 17.456 2.717 1.00 48.98 ? 831 ARG A CG 1 \nATOM 1032 C CD . ARG A 1 139 ? 11.132 17.048 1.486 1.00 54.64 ? 831 ARG A CD 1 \nATOM 1033 N NE . ARG A 1 139 ? 9.727 17.486 1.420 1.00 61.13 ? 831 ARG A NE 1 \nATOM 1034 C CZ . ARG A 1 139 ? 9.329 18.755 1.320 1.00 57.98 ? 831 ARG A CZ 1 \nATOM 1035 N NH1 . ARG A 1 139 ? 8.030 19.054 1.222 1.00 43.34 ? 831 ARG A NH1 1 \nATOM 1036 N NH2 . ARG A 1 139 ? 10.224 19.734 1.332 1.00 75.24 ? 831 ARG A NH2 1 \nATOM 1037 N N . ARG A 1 140 ? 16.169 15.134 1.608 1.00 32.01 ? 832 ARG A N 1 \nATOM 1038 C CA . ARG A 1 140 ? 17.523 15.181 0.987 1.00 25.88 ? 832 ARG A CA 1 \nATOM 1039 C C . ARG A 1 140 ? 18.165 16.581 1.055 1.00 26.82 ? 832 ARG A C 1 \nATOM 1040 O O . ARG A 1 140 ? 18.870 17.014 0.144 1.00 39.99 ? 832 ARG A O 1 \nATOM 1041 C CB . ARG A 1 140 ? 17.481 14.595 -0.449 1.00 26.75 ? 832 ARG A CB 1 \nATOM 1042 C CG . ARG A 1 140 ? 16.852 13.203 -0.493 1.00 38.69 ? 832 ARG A CG 1 \nATOM 1043 C CD . ARG A 1 140 ? 16.749 12.615 -1.901 1.00 44.66 ? 832 ARG A CD 1 \nATOM 1044 N NE . ARG A 1 140 ? 18.060 12.375 -2.490 1.00 43.81 ? 832 ARG A NE 1 \nATOM 1045 C CZ . ARG A 1 140 ? 18.292 12.142 -3.782 1.00 59.18 ? 832 ARG A CZ 1 \nATOM 1046 N NH1 . ARG A 1 140 ? 19.539 11.932 -4.198 1.00 65.97 ? 832 ARG A NH1 1 \nATOM 1047 N NH2 . ARG A 1 140 ? 17.295 12.120 -4.663 1.00 52.24 ? 832 ARG A NH2 1 \nATOM 1048 N N . LEU A 1 141 ? 17.972 17.251 2.186 1.00 27.81 ? 833 LEU A N 1 \nATOM 1049 C CA . LEU A 1 141 ? 18.510 18.577 2.418 1.00 34.21 ? 833 LEU A CA 1 \nATOM 1050 C C . LEU A 1 141 ? 19.449 18.523 3.624 1.00 34.74 ? 833 LEU A C 1 \nATOM 1051 O O . LEU A 1 141 ? 18.999 18.429 4.771 1.00 30.53 ? 833 LEU A O 1 \nATOM 1052 C CB . LEU A 1 141 ? 17.364 19.579 2.657 1.00 34.42 ? 833 LEU A CB 1 \nATOM 1053 C CG . LEU A 1 141 ? 17.613 21.095 2.539 1.00 38.35 ? 833 LEU A CG 1 \nATOM 1054 C CD1 . LEU A 1 141 ? 16.355 21.860 2.907 1.00 47.96 ? 833 LEU A CD1 1 \nATOM 1055 C CD2 . LEU A 1 141 ? 18.768 21.594 3.393 1.00 52.23 ? 833 LEU A CD2 1 \nATOM 1056 N N . VAL A 1 142 ? 20.755 18.551 3.363 1.00 26.72 ? 834 VAL A N 1 \nATOM 1057 C CA . VAL A 1 142 ? 21.728 18.644 4.437 1.00 25.51 ? 834 VAL A CA 1 \nATOM 1058 C C . VAL A 1 142 ? 21.700 20.057 5.048 1.00 23.33 ? 834 VAL A C 1 \nATOM 1059 O O . VAL A 1 142 ? 21.694 21.057 4.313 1.00 28.02 ? 834 VAL A O 1 \nATOM 1060 C CB . VAL A 1 142 ? 23.156 18.309 3.917 1.00 25.87 ? 834 VAL A CB 1 \nATOM 1061 C CG1 . VAL A 1 142 ? 24.100 18.192 5.115 1.00 23.90 ? 834 VAL A CG1 1 \nATOM 1062 C CG2 . VAL A 1 142 ? 23.119 16.992 3.141 1.00 28.31 ? 834 VAL A CG2 1 \nATOM 1063 N N . HIS A 1 143 ? 21.660 20.124 6.381 1.00 24.32 ? 835 HIS A N 1 \nATOM 1064 C CA . HIS A 1 143 ? 21.506 21.383 7.113 1.00 23.28 ? 835 HIS A CA 1 \nATOM 1065 C C . HIS A 1 143 ? 22.785 22.162 6.940 1.00 27.03 ? 835 HIS A C 1 \nATOM 1066 O O . HIS A 1 143 ? 22.813 23.290 6.411 1.00 26.76 ? 835 HIS A O 1 \nATOM 1067 C CB . HIS A 1 143 ? 21.277 21.097 8.607 1.00 22.96 ? 835 HIS A CB 1 \nATOM 1068 C CG . HIS A 1 143 ? 20.801 22.288 9.388 1.00 25.87 ? 835 HIS A CG 1 \nATOM 1069 N ND1 . HIS A 1 143 ? 21.552 23.426 9.550 1.00 25.72 ? 835 HIS A ND1 1 \nATOM 1070 C CD2 . HIS A 1 143 ? 19.625 22.522 10.030 1.00 29.70 ? 835 HIS A CD2 1 \nATOM 1071 C CE1 . HIS A 1 143 ? 20.875 24.313 10.264 1.00 26.78 ? 835 HIS A CE1 1 \nATOM 1072 N NE2 . HIS A 1 143 ? 19.701 23.783 10.576 1.00 27.19 ? 835 HIS A NE2 1 \nATOM 1073 N N . ARG A 1 144 ? 23.853 21.527 7.386 1.00 25.53 ? 836 ARG A N 1 \nATOM 1074 C CA . ARG A 1 144 ? 25.221 22.123 7.370 1.00 24.68 ? 836 ARG A CA 1 \nATOM 1075 C C . ARG A 1 144 ? 25.537 23.182 8.437 1.00 30.73 ? 836 ARG A C 1 \nATOM 1076 O O . ARG A 1 144 ? 26.695 23.623 8.533 1.00 31.37 ? 836 ARG A O 1 \nATOM 1077 C CB . ARG A 1 144 ? 25.601 22.653 5.966 1.00 29.95 ? 836 ARG A CB 1 \nATOM 1078 C CG . ARG A 1 144 ? 25.531 21.613 4.858 1.00 29.36 ? 836 ARG A CG 1 \nATOM 1079 C CD . ARG A 1 144 ? 25.842 22.225 3.503 1.00 35.72 ? 836 ARG A CD 1 \nATOM 1080 N NE . ARG A 1 144 ? 25.737 21.236 2.426 1.00 35.96 ? 836 ARG A NE 1 \nATOM 1081 C CZ . ARG A 1 144 ? 24.613 20.915 1.795 1.00 42.66 ? 836 ARG A CZ 1 \nATOM 1082 N NH1 . ARG A 1 144 ? 23.454 21.500 2.119 1.00 43.85 ? 836 ARG A NH1 1 \nATOM 1083 N NH2 . ARG A 1 144 ? 24.655 20.006 0.825 1.00 45.95 ? 836 ARG A NH2 1 \nATOM 1084 N N . ASP A 1 145 ? 24.564 23.573 9.252 1.00 28.01 ? 837 ASP A N 1 \nATOM 1085 C CA . ASP A 1 145 ? 24.814 24.539 10.330 1.00 30.26 ? 837 ASP A CA 1 \nATOM 1086 C C . ASP A 1 145 ? 23.893 24.288 11.553 1.00 24.80 ? 837 ASP A C 1 \nATOM 1087 O O . ASP A 1 145 ? 23.436 25.220 12.215 1.00 27.76 ? 837 ASP A O 1 \nATOM 1088 C CB . ASP A 1 145 ? 24.667 25.972 9.766 1.00 35.19 ? 837 ASP A CB 1 \nATOM 1089 C CG . ASP A 1 145 ? 25.123 27.070 10.730 1.00 39.72 ? 837 ASP A CG 1 \nATOM 1090 O OD1 . ASP A 1 145 ? 24.630 28.217 10.587 1.00 39.41 ? 837 ASP A OD1 1 \nATOM 1091 O OD2 . ASP A 1 145 ? 25.968 26.824 11.608 1.00 39.11 ? 837 ASP A OD2 1 \nATOM 1092 N N . LEU A 1 146 ? 23.664 23.019 11.894 1.00 22.90 ? 838 LEU A N 1 \nATOM 1093 C CA . LEU A 1 146 ? 22.936 22.738 13.109 1.00 26.01 ? 838 LEU A CA 1 \nATOM 1094 C C . LEU A 1 146 ? 23.734 23.109 14.359 1.00 31.57 ? 838 LEU A C 1 \nATOM 1095 O O . LEU A 1 146 ? 24.933 22.815 14.484 1.00 23.80 ? 838 LEU A O 1 \nATOM 1096 C CB . LEU A 1 146 ? 22.428 21.289 13.139 1.00 23.02 ? 838 LEU A CB 1 \nATOM 1097 C CG . LEU A 1 146 ? 21.594 20.979 14.380 1.00 21.58 ? 838 LEU A CG 1 \nATOM 1098 C CD1 . LEU A 1 146 ? 20.220 21.710 14.325 1.00 23.98 ? 838 LEU A CD1 1 \nATOM 1099 C CD2 . LEU A 1 146 ? 21.381 19.486 14.377 1.00 26.15 ? 838 LEU A CD2 1 \nATOM 1100 N N . ALA A 1 147 ? 23.056 23.809 15.260 1.00 25.46 ? 839 ALA A N 1 \nATOM 1101 C CA . ALA A 1 147 ? 23.624 24.344 16.489 1.00 26.75 ? 839 ALA A CA 1 \nATOM 1102 C C . ALA A 1 147 ? 22.450 24.802 17.349 1.00 26.96 ? 839 ALA A C 1 \nATOM 1103 O O . ALA A 1 147 ? 21.368 25.075 16.818 1.00 27.56 ? 839 ALA A O 1 \nATOM 1104 C CB . ALA A 1 147 ? 24.560 25.503 16.172 1.00 26.89 ? 839 ALA A CB 1 \nATOM 1105 N N . ALA A 1 148 ? 22.647 24.874 18.660 1.00 25.41 ? 840 ALA A N 1 \nATOM 1106 C CA . ALA A 1 148 ? 21.586 25.344 19.568 1.00 28.19 ? 840 ALA A CA 1 \nATOM 1107 C C . ALA A 1 148 ? 21.088 26.729 19.178 1.00 32.62 ? 840 ALA A C 1 \nATOM 1108 O O . ALA A 1 148 ? 19.888 27.022 19.337 1.00 26.09 ? 840 ALA A O 1 \nATOM 1109 C CB . ALA A 1 148 ? 22.036 25.315 21.015 1.00 31.55 ? 840 ALA A CB 1 \nATOM 1110 N N . ARG A 1 149 ? 21.988 27.573 18.667 1.00 26.53 ? 841 ARG A N 1 \nATOM 1111 C CA . ARG A 1 149 ? 21.564 28.878 18.116 1.00 33.68 ? 841 ARG A CA 1 \nATOM 1112 C C . ARG A 1 149 ? 20.540 28.815 16.971 1.00 29.87 ? 841 ARG A C 1 \nATOM 1113 O O . ARG A 1 149 ? 19.785 29.780 16.780 1.00 30.30 ? 841 ARG A O 1 \nATOM 1114 C CB . ARG A 1 149 ? 22.764 29.723 17.692 1.00 28.34 ? 841 ARG A CB 1 \nATOM 1115 C CG . ARG A 1 149 ? 23.404 29.295 16.373 1.00 26.85 ? 841 ARG A CG 1 \nATOM 1116 C CD . ARG A 1 149 ? 24.776 29.947 16.162 1.00 29.53 ? 841 ARG A CD 1 \nATOM 1117 N NE . ARG A 1 149 ? 25.422 29.243 15.073 1.00 31.29 ? 841 ARG A NE 1 \nATOM 1118 C CZ . ARG A 1 149 ? 26.341 28.302 15.254 1.00 39.55 ? 841 ARG A CZ 1 \nATOM 1119 N NH1 . ARG A 1 149 ? 26.771 28.031 16.482 1.00 34.98 ? 841 ARG A NH1 1 \nATOM 1120 N NH2 . ARG A 1 149 ? 26.851 27.654 14.208 1.00 34.16 ? 841 ARG A NH2 1 \nATOM 1121 N N . ASN A 1 150 ? 20.510 27.690 16.239 1.00 27.08 ? 842 ASN A N 1 \nATOM 1122 C CA . ASN A 1 150 ? 19.637 27.487 15.083 1.00 30.03 ? 842 ASN A CA 1 \nATOM 1123 C C . ASN A 1 150 ? 18.422 26.601 15.370 1.00 24.67 ? 842 ASN A C 1 \nATOM 1124 O O . ASN A 1 150 ? 17.845 25.978 14.469 1.00 27.99 ? 842 ASN A O 1 \nATOM 1125 C CB . ASN A 1 150 ? 20.435 27.010 13.873 1.00 29.06 ? 842 ASN A CB 1 \nATOM 1126 C CG . ASN A 1 150 ? 21.262 28.134 13.254 1.00 37.72 ? 842 ASN A CG 1 \nATOM 1127 O OD1 . ASN A 1 150 ? 20.864 29.305 13.306 1.00 30.50 ? 842 ASN A OD1 1 \nATOM 1128 N ND2 . ASN A 1 150 ? 22.422 27.794 12.679 1.00 29.81 ? 842 ASN A ND2 1 \nATOM 1129 N N . VAL A 1 151 ? 18.136 26.486 16.658 1.00 23.76 ? 843 VAL A N 1 \nATOM 1130 C CA . VAL A 1 151 ? 16.903 25.867 17.159 1.00 30.91 ? 843 VAL A CA 1 \nATOM 1131 C C . VAL A 1 151 ? 16.114 26.985 17.836 1.00 31.47 ? 843 VAL A C 1 \nATOM 1132 O O . VAL A 1 151 ? 16.638 27.662 18.721 1.00 31.89 ? 843 VAL A O 1 \nATOM 1133 C CB . VAL A 1 151 ? 17.212 24.725 18.140 1.00 27.97 ? 843 VAL A CB 1 \nATOM 1134 C CG1 . VAL A 1 151 ? 15.915 24.065 18.619 1.00 27.30 ? 843 VAL A CG1 1 \nATOM 1135 C CG2 . VAL A 1 151 ? 18.140 23.693 17.466 1.00 24.18 ? 843 VAL A CG2 1 \nATOM 1136 N N . LEU A 1 152 ? 14.852 27.149 17.445 1.00 31.01 ? 844 LEU A N 1 \nATOM 1137 C CA . LEU A 1 152 ? 14.016 28.272 17.951 1.00 28.78 ? 844 LEU A CA 1 \nATOM 1138 C C . LEU A 1 152 ? 12.878 27.747 18.798 1.00 31.95 ? 844 LEU A C 1 \nATOM 1139 O O . LEU A 1 152 ? 12.356 26.667 18.531 1.00 29.93 ? 844 LEU A O 1 \nATOM 1140 C CB . LEU A 1 152 ? 13.463 29.114 16.782 1.00 31.04 ? 844 LEU A CB 1 \nATOM 1141 C CG . LEU A 1 152 ? 14.521 29.764 15.877 1.00 31.25 ? 844 LEU A CG 1 \nATOM 1142 C CD1 . LEU A 1 152 ? 13.961 30.700 14.816 1.00 33.04 ? 844 LEU A CD1 1 \nATOM 1143 C CD2 . LEU A 1 152 ? 15.550 30.506 16.706 1.00 35.54 ? 844 LEU A CD2 1 \nATOM 1144 N N . VAL A 1 153 ? 12.508 28.516 19.819 1.00 33.45 ? 845 VAL A N 1 \nATOM 1145 C CA . VAL A 1 153 ? 11.410 28.169 20.722 1.00 37.40 ? 845 VAL A CA 1 \nATOM 1146 C C . VAL A 1 153 ? 10.050 28.660 20.197 1.00 39.79 ? 845 VAL A C 1 \nATOM 1147 O O . VAL A 1 153 ? 9.791 29.864 20.151 1.00 40.55 ? 845 VAL A O 1 \nATOM 1148 C CB . VAL A 1 153 ? 11.706 28.704 22.144 1.00 37.90 ? 845 VAL A CB 1 \nATOM 1149 C CG1 . VAL A 1 153 ? 10.598 28.332 23.123 1.00 34.42 ? 845 VAL A CG1 1 \nATOM 1150 C CG2 . VAL A 1 153 ? 13.046 28.162 22.639 1.00 34.23 ? 845 VAL A CG2 1 \nATOM 1151 N N . LYS A 1 154 ? 9.193 27.725 19.786 1.00 36.10 ? 846 LYS A N 1 \nATOM 1152 C CA . LYS A 1 154 ? 7.792 28.043 19.467 1.00 43.58 ? 846 LYS A CA 1 \nATOM 1153 C C . LYS A 1 154 ? 7.040 28.141 20.792 1.00 38.19 ? 846 LYS A C 1 \nATOM 1154 O O . LYS A 1 154 ? 6.412 29.158 21.072 1.00 44.16 ? 846 LYS A O 1 \nATOM 1155 C CB . LYS A 1 154 ? 7.146 27.007 18.536 1.00 37.43 ? 846 LYS A CB 1 \nATOM 1156 C CG . LYS A 1 154 ? 5.735 27.380 18.068 1.00 51.46 ? 846 LYS A CG 1 \nATOM 1157 C CD . LYS A 1 154 ? 5.003 26.147 17.561 1.00 57.04 ? 846 LYS A CD 1 \nATOM 1158 C CE . LYS A 1 154 ? 4.089 26.461 16.386 1.00 75.97 ? 846 LYS A CE 1 \nATOM 1159 N NZ . LYS A 1 154 ? 2.821 27.114 16.809 1.00 61.01 ? 846 LYS A NZ 1 \nATOM 1160 N N . THR A 1 155 ? 7.130 27.085 21.599 1.00 36.95 ? 847 THR A N 1 \nATOM 1161 C CA . THR A 1 155 ? 6.734 27.118 23.010 1.00 39.96 ? 847 THR A CA 1 \nATOM 1162 C C . THR A 1 155 ? 7.791 26.344 23.785 1.00 49.25 ? 847 THR A C 1 \nATOM 1163 O O . THR A 1 155 ? 8.513 25.553 23.189 1.00 46.91 ? 847 THR A O 1 \nATOM 1164 C CB . THR A 1 155 ? 5.344 26.477 23.270 1.00 42.03 ? 847 THR A CB 1 \nATOM 1165 O OG1 . THR A 1 155 ? 5.416 25.049 23.139 1.00 40.28 ? 847 THR A OG1 1 \nATOM 1166 C CG2 . THR A 1 155 ? 4.263 27.039 22.331 1.00 47.29 ? 847 THR A CG2 1 \nATOM 1167 N N . PRO A 1 156 ? 7.901 26.572 25.111 1.00 47.74 ? 848 PRO A N 1 \nATOM 1168 C CA . PRO A 1 156 ? 8.844 25.778 25.902 1.00 44.52 ? 848 PRO A CA 1 \nATOM 1169 C C . PRO A 1 156 ? 8.762 24.277 25.619 1.00 44.91 ? 848 PRO A C 1 \nATOM 1170 O O . PRO A 1 156 ? 9.757 23.575 25.766 1.00 45.92 ? 848 PRO A O 1 \nATOM 1171 C CB . PRO A 1 156 ? 8.410 26.061 27.339 1.00 47.17 ? 848 PRO A CB 1 \nATOM 1172 C CG . PRO A 1 156 ? 7.836 27.433 27.296 1.00 54.20 ? 848 PRO A CG 1 \nATOM 1173 C CD . PRO A 1 156 ? 7.324 27.679 25.899 1.00 53.60 ? 848 PRO A CD 1 \nATOM 1174 N N . GLN A 1 157 ? 7.596 23.779 25.211 1.00 43.27 ? 849 GLN A N 1 \nATOM 1175 C CA . GLN A 1 157 ? 7.475 22.347 24.901 1.00 42.19 ? 849 GLN A CA 1 \nATOM 1176 C C . GLN A 1 157 ? 7.481 22.009 23.389 1.00 42.64 ? 849 GLN A C 1 \nATOM 1177 O O . GLN A 1 157 ? 7.190 20.866 23.001 1.00 45.37 ? 849 GLN A O 1 \nATOM 1178 C CB . GLN A 1 157 ? 6.267 21.718 25.627 1.00 58.29 ? 849 GLN A CB 1 \nATOM 1179 C CG . GLN A 1 157 ? 4.961 22.504 25.555 1.00 66.43 ? 849 GLN A CG 1 \nATOM 1180 C CD . GLN A 1 157 ? 4.884 23.642 26.570 1.00 62.36 ? 849 GLN A CD 1 \nATOM 1181 O OE1 . GLN A 1 157 ? 4.609 24.782 26.211 1.00 63.71 ? 849 GLN A OE1 1 \nATOM 1182 N NE2 . GLN A 1 157 ? 5.141 23.334 27.838 1.00 63.07 ? 849 GLN A NE2 1 \nATOM 1183 N N . HIS A 1 158 ? 7.806 22.998 22.549 1.00 43.34 ? 850 HIS A N 1 \nATOM 1184 C CA . HIS A 1 158 ? 7.827 22.837 21.080 1.00 36.09 ? 850 HIS A CA 1 \nATOM 1185 C C . HIS A 1 158 ? 8.939 23.707 20.451 1.00 35.72 ? 850 HIS A C 1 \nATOM 1186 O O . HIS A 1 158 ? 8.834 24.935 20.398 1.00 38.30 ? 850 HIS A O 1 \nATOM 1187 C CB . HIS A 1 158 ? 6.465 23.232 20.495 1.00 47.52 ? 850 HIS A CB 1 \nATOM 1188 C CG . HIS A 1 158 ? 6.285 22.897 19.044 1.00 56.05 ? 850 HIS A CG 1 \nATOM 1189 N ND1 . HIS A 1 158 ? 5.061 22.545 18.513 1.00 67.56 ? 850 HIS A ND1 1 \nATOM 1190 C CD2 . HIS A 1 158 ? 7.165 22.862 18.013 1.00 46.60 ? 850 HIS A CD2 1 \nATOM 1191 C CE1 . HIS A 1 158 ? 5.195 22.314 17.219 1.00 61.32 ? 850 HIS A CE1 1 \nATOM 1192 N NE2 . HIS A 1 158 ? 6.461 22.497 16.891 1.00 50.10 ? 850 HIS A NE2 1 \nATOM 1193 N N . VAL A 1 159 ? 9.997 23.065 19.957 1.00 30.62 ? 851 VAL A N 1 \nATOM 1194 C CA . VAL A 1 159 ? 11.119 23.801 19.316 1.00 27.66 ? 851 VAL A CA 1 \nATOM 1195 C C . VAL A 1 159 ? 11.258 23.414 17.837 1.00 29.34 ? 851 VAL A C 1 \nATOM 1196 O O . VAL A 1 159 ? 10.790 22.339 17.409 1.00 37.31 ? 851 VAL A O 1 \nATOM 1197 C CB . VAL A 1 159 ? 12.459 23.615 20.093 1.00 27.08 ? 851 VAL A CB 1 \nATOM 1198 C CG1 . VAL A 1 159 ? 12.320 24.093 21.527 1.00 28.71 ? 851 VAL A CG1 1 \nATOM 1199 C CG2 . VAL A 1 159 ? 12.917 22.166 20.074 1.00 29.61 ? 851 VAL A CG2 1 \nATOM 1200 N N . LYS A 1 160 ? 11.848 24.295 17.049 1.00 25.66 ? 852 LYS A N 1 \nATOM 1201 C CA . LYS A 1 160 ? 11.927 24.130 15.593 1.00 29.99 ? 852 LYS A CA 1 \nATOM 1202 C C . LYS A 1 160 ? 13.322 24.502 15.084 1.00 31.41 ? 852 LYS A C 1 \nATOM 1203 O O . LYS A 1 160 ? 13.919 25.461 15.577 1.00 32.82 ? 852 LYS A O 1 \nATOM 1204 C CB . LYS A 1 160 ? 10.930 25.045 14.883 1.00 29.63 ? 852 LYS A CB 1 \nATOM 1205 C CG . LYS A 1 160 ? 9.481 24.848 15.301 1.00 35.70 ? 852 LYS A CG 1 \nATOM 1206 C CD . LYS A 1 160 ? 8.547 25.799 14.559 1.00 39.50 ? 852 LYS A CD 1 \nATOM 1207 C CE . LYS A 1 160 ? 8.240 25.299 13.156 1.00 45.39 ? 852 LYS A CE 1 \nATOM 1208 N NZ . LYS A 1 160 ? 7.134 26.073 12.523 1.00 54.24 ? 852 LYS A NZ 1 \nATOM 1209 N N . ILE A 1 161 ? 13.787 23.781 14.065 1.00 27.56 ? 853 ILE A N 1 \nATOM 1210 C CA . ILE A 1 161 ? 15.114 24.014 13.466 1.00 30.12 ? 853 ILE A CA 1 \nATOM 1211 C C . ILE A 1 161 ? 15.005 25.045 12.339 1.00 31.59 ? 853 ILE A C 1 \nATOM 1212 O O . ILE A 1 161 ? 14.017 25.067 11.596 1.00 31.70 ? 853 ILE A O 1 \nATOM 1213 C CB . ILE A 1 161 ? 15.695 22.700 12.885 1.00 25.76 ? 853 ILE A CB 1 \nATOM 1214 C CG1 . ILE A 1 161 ? 15.805 21.647 13.983 1.00 26.76 ? 853 ILE A CG1 1 \nATOM 1215 C CG2 . ILE A 1 161 ? 17.031 22.964 12.191 1.00 32.39 ? 853 ILE A CG2 1 \nATOM 1216 C CD1 . ILE A 1 161 ? 15.788 20.251 13.420 1.00 36.59 ? 853 ILE A CD1 1 \nATOM 1217 N N . THR A 1 162 ? 16.008 25.909 12.237 1.00 25.25 ? 854 THR A N 1 \nATOM 1218 C CA . THR A 1 162 ? 16.073 26.896 11.179 1.00 27.24 ? 854 THR A CA 1 \nATOM 1219 C C . THR A 1 162 ? 17.503 26.936 10.582 1.00 28.06 ? 854 THR A C 1 \nATOM 1220 O O . THR A 1 162 ? 18.380 26.227 11.069 1.00 31.74 ? 854 THR A O 1 \nATOM 1221 C CB . THR A 1 162 ? 15.656 28.302 11.705 1.00 24.66 ? 854 THR A CB 1 \nATOM 1222 O OG1 . THR A 1 162 ? 15.473 29.166 10.579 1.00 25.50 ? 854 THR A OG1 1 \nATOM 1223 C CG2 . THR A 1 162 ? 16.714 28.916 12.649 1.00 28.04 ? 854 THR A CG2 1 \nATOM 1224 N N . ASP A 1 163 ? 17.692 27.727 9.517 1.00 26.22 ? 855 ASP A N 1 \nATOM 1225 C CA . ASP A 1 163 ? 19.025 28.078 8.949 1.00 33.58 ? 855 ASP A CA 1 \nATOM 1226 C C . ASP A 1 163 ? 19.662 26.928 8.139 1.00 27.70 ? 855 ASP A C 1 \nATOM 1227 O O . ASP A 1 163 ? 20.866 26.952 7.856 1.00 41.67 ? 855 ASP A O 1 \nATOM 1228 C CB . ASP A 1 163 ? 19.977 28.578 10.059 1.00 34.40 ? 855 ASP A CB 1 \nATOM 1229 C CG . ASP A 1 163 ? 20.915 29.702 9.592 1.00 43.40 ? 855 ASP A CG 1 \nATOM 1230 O OD1 . ASP A 1 163 ? 20.500 30.546 8.761 1.00 40.77 ? 855 ASP A OD1 1 \nATOM 1231 O OD2 . ASP A 1 163 ? 22.072 29.765 10.083 1.00 42.67 ? 855 ASP A OD2 1 \nATOM 1232 N N . PHE A 1 164 ? 18.848 25.931 7.775 1.00 31.84 ? 856 PHE A N 1 \nATOM 1233 C CA . PHE A 1 164 ? 19.295 24.768 6.988 1.00 27.77 ? 856 PHE A CA 1 \nATOM 1234 C C . PHE A 1 164 ? 19.514 25.134 5.526 1.00 38.25 ? 856 PHE A C 1 \nATOM 1235 O O . PHE A 1 164 ? 18.707 25.862 4.918 1.00 35.00 ? 856 PHE A O 1 \nATOM 1236 C CB . PHE A 1 164 ? 18.299 23.609 7.116 1.00 31.72 ? 856 PHE A CB 1 \nATOM 1237 C CG . PHE A 1 164 ? 16.859 24.013 6.902 1.00 37.42 ? 856 PHE A CG 1 \nATOM 1238 C CD1 . PHE A 1 164 ? 16.058 24.398 7.982 1.00 39.39 ? 856 PHE A CD1 1 \nATOM 1239 C CD2 . PHE A 1 164 ? 16.313 24.012 5.628 1.00 35.12 ? 856 PHE A CD2 1 \nATOM 1240 C CE1 . PHE A 1 164 ? 14.722 24.772 7.786 1.00 33.38 ? 856 PHE A CE1 1 \nATOM 1241 C CE2 . PHE A 1 164 ? 14.977 24.374 5.431 1.00 41.41 ? 856 PHE A CE2 1 \nATOM 1242 C CZ . PHE A 1 164 ? 14.198 24.755 6.510 1.00 31.08 ? 856 PHE A CZ 1 \nATOM 1243 N N . GLY A 1 165 ? 20.622 24.655 4.960 1.00 31.90 ? 857 GLY A N 1 \nATOM 1244 C CA . GLY A 1 165 ? 20.859 24.804 3.519 1.00 31.25 ? 857 GLY A CA 1 \nATOM 1245 C C . GLY A 1 165 ? 21.491 26.110 3.089 1.00 35.22 ? 857 GLY A C 1 \nATOM 1246 O O . GLY A 1 165 ? 21.668 26.359 1.897 1.00 36.36 ? 857 GLY A O 1 \nATOM 1247 N N . LEU A 1 166 ? 21.834 26.959 4.051 1.00 36.41 ? 858 LEU A N 1 \nATOM 1248 C CA . LEU A 1 166 ? 22.374 28.251 3.733 1.00 33.90 ? 858 LEU A CA 1 \nATOM 1249 C C . LEU A 1 166 ? 23.850 28.082 3.359 1.00 36.55 ? 858 LEU A C 1 \nATOM 1250 O O . LEU A 1 166 ? 24.343 28.746 2.449 1.00 35.70 ? 858 LEU A O 1 \nATOM 1251 C CB . LEU A 1 166 ? 22.223 29.193 4.931 1.00 41.10 ? 858 LEU A CB 1 \nATOM 1252 C CG . LEU A 1 166 ? 22.171 30.700 4.704 1.00 43.83 ? 858 LEU A CG 1 \nATOM 1253 C CD1 . LEU A 1 166 ? 21.064 31.083 3.723 1.00 46.99 ? 858 LEU A CD1 1 \nATOM 1254 C CD2 . LEU A 1 166 ? 21.948 31.375 6.046 1.00 35.64 ? 858 LEU A CD2 1 \nATOM 1255 N N . ALA A 1 167 ? 24.532 27.169 4.052 1.00 35.60 ? 859 ALA A N 1 \nATOM 1256 C CA . ALA A 1 167 ? 25.942 26.925 3.767 1.00 37.84 ? 859 ALA A CA 1 \nATOM 1257 C C . ALA A 1 167 ? 26.099 26.444 2.330 1.00 40.12 ? 859 ALA A C 1 \nATOM 1258 O O . ALA A 1 167 ? 27.072 26.801 1.659 1.00 37.50 ? 859 ALA A O 1 \nATOM 1259 C CB . ALA A 1 167 ? 26.545 25.930 4.746 1.00 34.95 ? 859 ALA A CB 1 \nATOM 1260 N N . LYS A 1 168 ? 25.133 25.648 1.851 1.00 35.37 ? 860 LYS A N 1 \nATOM 1261 C CA . LYS A 1 168 ? 25.130 25.217 0.457 1.00 40.64 ? 860 LYS A CA 1 \nATOM 1262 C C . LYS A 1 168 ? 24.865 26.396 -0.464 1.00 37.43 ? 860 LYS A C 1 \nATOM 1263 O O . LYS A 1 168 ? 25.539 26.565 -1.475 1.00 43.25 ? 860 LYS A O 1 \nATOM 1264 C CB . LYS A 1 168 ? 24.093 24.118 0.194 1.00 47.18 ? 860 LYS A CB 1 \nATOM 1265 C CG . LYS A 1 168 ? 23.823 23.875 -1.292 1.00 52.81 ? 860 LYS A CG 1 \nATOM 1266 C CD . LYS A 1 168 ? 23.407 22.442 -1.573 1.00 54.14 ? 860 LYS A CD 1 \nATOM 1267 C CE . LYS A 1 168 ? 23.585 22.101 -3.044 1.00 65.94 ? 860 LYS A CE 1 \nATOM 1268 N NZ . LYS A 1 168 ? 23.618 20.628 -3.255 1.00 73.01 ? 860 LYS A NZ 1 \nATOM 1269 N N . LEU A 1 169 ? 23.869 27.198 -0.120 1.00 35.22 ? 861 LEU A N 1 \nATOM 1270 C CA . LEU A 1 169 ? 23.469 28.302 -0.989 1.00 42.52 ? 861 LEU A CA 1 \nATOM 1271 C C . LEU A 1 169 ? 24.635 29.262 -1.217 1.00 43.31 ? 861 LEU A C 1 \nATOM 1272 O O . LEU A 1 169 ? 24.785 29.824 -2.307 1.00 42.59 ? 861 LEU A O 1 \nATOM 1273 C CB . LEU A 1 169 ? 22.281 29.042 -0.379 1.00 45.30 ? 861 LEU A CB 1 \nATOM 1274 C CG . LEU A 1 169 ? 21.724 30.283 -1.079 1.00 60.80 ? 861 LEU A CG 1 \nATOM 1275 C CD1 . LEU A 1 169 ? 21.344 29.986 -2.523 1.00 74.68 ? 861 LEU A CD1 1 \nATOM 1276 C CD2 . LEU A 1 169 ? 20.527 30.808 -0.297 1.00 46.66 ? 861 LEU A CD2 1 \nATOM 1277 N N . LEU A 1 170 ? 25.458 29.422 -0.184 1.00 43.61 ? 862 LEU A N 1 \nATOM 1278 C CA . LEU A 1 170 ? 26.554 30.390 -0.192 1.00 47.31 ? 862 LEU A CA 1 \nATOM 1279 C C . LEU A 1 170 ? 27.869 29.821 -0.747 1.00 48.26 ? 862 LEU A C 1 \nATOM 1280 O O . LEU A 1 170 ? 28.882 30.523 -0.807 1.00 49.35 ? 862 LEU A O 1 \nATOM 1281 C CB . LEU A 1 170 ? 26.749 30.970 1.218 1.00 45.15 ? 862 LEU A CB 1 \nATOM 1282 C CG . LEU A 1 170 ? 25.676 31.944 1.740 1.00 45.97 ? 862 LEU A CG 1 \nATOM 1283 C CD1 . LEU A 1 170 ? 25.961 32.300 3.191 1.00 48.31 ? 862 LEU A CD1 1 \nATOM 1284 C CD2 . LEU A 1 170 ? 25.608 33.210 0.888 1.00 47.47 ? 862 LEU A CD2 1 \nATOM 1285 N N . GLY A 1 171 ? 27.853 28.549 -1.142 1.00 49.38 ? 863 GLY A N 1 \nATOM 1286 C CA . GLY A 1 171 ? 29.018 27.916 -1.781 1.00 45.16 ? 863 GLY A CA 1 \nATOM 1287 C C . GLY A 1 171 ? 30.128 27.447 -0.847 1.00 39.80 ? 863 GLY A C 1 \nATOM 1288 O O . GLY A 1 171 ? 31.286 27.311 -1.271 1.00 50.15 ? 863 GLY A O 1 \nATOM 1289 N N . ALA A 1 172 ? 29.787 27.166 0.413 1.00 40.85 ? 864 ALA A N 1 \nATOM 1290 C CA . ALA A 1 172 ? 30.789 26.748 1.398 1.00 42.57 ? 864 ALA A CA 1 \nATOM 1291 C C . ALA A 1 172 ? 31.329 25.336 1.148 1.00 38.79 ? 864 ALA A C 1 \nATOM 1292 O O . ALA A 1 172 ? 32.211 24.884 1.866 1.00 42.81 ? 864 ALA A O 1 \nATOM 1293 C CB . ALA A 1 172 ? 30.257 26.864 2.811 1.00 41.45 ? 864 ALA A CB 1 \nATOM 1294 N N . GLU A 1 173 ? 30.779 24.650 0.148 1.00 36.82 ? 865 GLU A N 1 \nATOM 1295 C CA . GLU A 1 173 ? 31.281 23.322 -0.252 1.00 44.30 ? 865 GLU A CA 1 \nATOM 1296 C C . GLU A 1 173 ? 32.377 23.443 -1.311 1.00 47.98 ? 865 GLU A C 1 \nATOM 1297 O O . GLU A 1 173 ? 32.982 22.444 -1.707 1.00 40.23 ? 865 GLU A O 1 \nATOM 1298 C CB . GLU A 1 173 ? 30.145 22.407 -0.761 1.00 41.00 ? 865 GLU A CB 1 \nATOM 1299 C CG . GLU A 1 173 ? 29.020 22.190 0.244 1.00 53.30 ? 865 GLU A CG 1 \nATOM 1300 C CD . GLU A 1 173 ? 28.086 21.053 -0.137 1.00 66.21 ? 865 GLU A CD 1 \nATOM 1301 O OE1 . GLU A 1 173 ? 27.442 20.512 0.782 1.00 56.09 ? 865 GLU A OE1 1 \nATOM 1302 O OE2 . GLU A 1 173 ? 27.997 20.692 -1.337 1.00 63.67 ? 865 GLU A OE2 1 \nATOM 1303 N N . GLU A 1 174 ? 32.612 24.670 -1.770 1.00 47.17 ? 866 GLU A N 1 \nATOM 1304 C CA . GLU A 1 174 ? 33.608 24.955 -2.807 1.00 46.40 ? 866 GLU A CA 1 \nATOM 1305 C C . GLU A 1 174 ? 34.700 25.832 -2.210 1.00 40.98 ? 866 GLU A C 1 \nATOM 1306 O O . GLU A 1 174 ? 34.497 26.450 -1.164 1.00 38.94 ? 866 GLU A O 1 \nATOM 1307 C CB . GLU A 1 174 ? 32.956 25.644 -4.019 1.00 46.22 ? 866 GLU A CB 1 \nATOM 1308 C CG . GLU A 1 174 ? 32.102 24.730 -4.897 1.00 54.50 ? 866 GLU A CG 1 \nATOM 1309 C CD . GLU A 1 174 ? 30.714 24.468 -4.337 1.00 68.80 ? 866 GLU A CD 1 \nATOM 1310 O OE1 . GLU A 1 174 ? 30.121 23.425 -4.688 1.00 79.63 ? 866 GLU A OE1 1 \nATOM 1311 O OE2 . GLU A 1 174 ? 30.206 25.299 -3.553 1.00 68.10 ? 866 GLU A OE2 1 \nATOM 1312 N N . LYS A 1 175 ? 35.854 25.893 -2.877 1.00 37.24 ? 867 LYS A N 1 \nATOM 1313 C CA . LYS A 1 175 ? 37.036 26.539 -2.313 1.00 47.53 ? 867 LYS A CA 1 \nATOM 1314 C C . LYS A 1 175 ? 36.911 28.067 -2.320 1.00 42.85 ? 867 LYS A C 1 \nATOM 1315 O O . LYS A 1 175 ? 37.482 28.740 -1.459 1.00 40.83 ? 867 LYS A O 1 \nATOM 1316 C CB . LYS A 1 175 ? 38.325 26.074 -3.037 1.00 37.61 ? 867 LYS A CB 1 \nATOM 1317 C CG . LYS A 1 175 ? 38.432 26.433 -4.517 1.00 41.83 ? 867 LYS A CG 1 \nATOM 1318 C CD . LYS A 1 175 ? 39.175 25.359 -5.323 1.00 39.74 ? 867 LYS A CD 1 \nATOM 1319 C CE . LYS A 1 175 ? 38.867 25.438 -6.819 1.00 39.65 ? 867 LYS A CE 1 \nATOM 1320 N NZ . LYS A 1 175 ? 37.395 25.435 -7.144 1.00 43.75 ? 867 LYS A NZ 1 \nATOM 1321 N N . GLU A 1 176 ? 36.150 28.584 -3.288 1.00 40.06 ? 868 GLU A N 1 \nATOM 1322 C CA . GLU A 1 176 ? 36.053 30.019 -3.559 1.00 46.64 ? 868 GLU A CA 1 \nATOM 1323 C C . GLU A 1 176 ? 35.553 30.809 -2.344 1.00 48.10 ? 868 GLU A C 1 \nATOM 1324 O O . GLU A 1 176 ? 36.168 31.809 -1.964 1.00 42.32 ? 868 GLU A O 1 \nATOM 1325 C CB . GLU A 1 176 ? 35.192 30.281 -4.806 1.00 51.74 ? 868 GLU A CB 1 \nATOM 1326 C CG . GLU A 1 176 ? 35.891 29.990 -6.136 1.00 53.17 ? 868 GLU A CG 1 \nATOM 1327 C CD . GLU A 1 176 ? 35.976 28.505 -6.493 1.00 55.69 ? 868 GLU A CD 1 \nATOM 1328 O OE1 . GLU A 1 176 ? 35.179 27.686 -5.971 1.00 42.46 ? 868 GLU A OE1 1 \nATOM 1329 O OE2 . GLU A 1 176 ? 36.850 28.153 -7.324 1.00 48.42 ? 868 GLU A OE2 1 \nATOM 1330 N N . TYR A 1 177 ? 34.454 30.346 -1.739 1.00 45.27 ? 869 TYR A N 1 \nATOM 1331 C CA . TYR A 1 177 ? 33.932 30.900 -0.471 1.00 44.49 ? 869 TYR A CA 1 \nATOM 1332 C C . TYR A 1 177 ? 35.024 31.102 0.592 1.00 48.57 ? 869 TYR A C 1 \nATOM 1333 O O . TYR A 1 177 ? 35.104 32.164 1.215 1.00 44.29 ? 869 TYR A O 1 \nATOM 1334 C CB . TYR A 1 177 ? 32.801 29.997 0.082 1.00 48.00 ? 869 TYR A CB 1 \nATOM 1335 C CG . TYR A 1 177 ? 32.241 30.446 1.420 1.00 43.34 ? 869 TYR A CG 1 \nATOM 1336 C CD1 . TYR A 1 177 ? 32.588 29.791 2.597 1.00 37.95 ? 869 TYR A CD1 1 \nATOM 1337 C CD2 . TYR A 1 177 ? 31.372 31.544 1.509 1.00 44.45 ? 869 TYR A CD2 1 \nATOM 1338 C CE1 . TYR A 1 177 ? 32.083 30.202 3.827 1.00 37.47 ? 869 TYR A CE1 1 \nATOM 1339 C CE2 . TYR A 1 177 ? 30.878 31.968 2.739 1.00 42.96 ? 869 TYR A CE2 1 \nATOM 1340 C CZ . TYR A 1 177 ? 31.234 31.291 3.891 1.00 42.37 ? 869 TYR A CZ 1 \nATOM 1341 O OH . TYR A 1 177 ? 30.756 31.702 5.118 1.00 42.81 ? 869 TYR A OH 1 \nATOM 1342 N N . HIS A 1 178 ? 35.870 30.090 0.777 1.00 42.45 ? 870 HIS A N 1 \nATOM 1343 C CA . HIS A 1 178 ? 36.910 30.105 1.819 1.00 39.96 ? 870 HIS A CA 1 \nATOM 1344 C C . HIS A 1 178 ? 38.101 30.984 1.432 1.00 48.03 ? 870 HIS A C 1 \nATOM 1345 O O . HIS A 1 178 ? 38.716 31.644 2.285 1.00 44.35 ? 870 HIS A O 1 \nATOM 1346 C CB . HIS A 1 178 ? 37.352 28.671 2.130 1.00 43.61 ? 870 HIS A CB 1 \nATOM 1347 C CG . HIS A 1 178 ? 36.249 27.816 2.689 1.00 45.24 ? 870 HIS A CG 1 \nATOM 1348 N ND1 . HIS A 1 178 ? 35.330 27.165 1.891 1.00 48.50 ? 870 HIS A ND1 1 \nATOM 1349 C CD2 . HIS A 1 178 ? 35.909 27.525 3.966 1.00 41.55 ? 870 HIS A CD2 1 \nATOM 1350 C CE1 . HIS A 1 178 ? 34.478 26.501 2.653 1.00 40.12 ? 870 HIS A CE1 1 \nATOM 1351 N NE2 . HIS A 1 178 ? 34.803 26.708 3.917 1.00 54.39 ? 870 HIS A NE2 1 \nATOM 1352 N N . ALA A 1 179 ? 38.424 30.987 0.142 1.00 48.53 ? 871 ALA A N 1 \nATOM 1353 C CA . ALA A 1 179 ? 39.483 31.851 -0.386 1.00 52.92 ? 871 ALA A CA 1 \nATOM 1354 C C . ALA A 1 179 ? 39.090 33.330 -0.289 1.00 57.64 ? 871 ALA A C 1 \nATOM 1355 O O . ALA A 1 179 ? 39.955 34.191 -0.122 1.00 49.04 ? 871 ALA A O 1 \nATOM 1356 C CB . ALA A 1 179 ? 39.812 31.468 -1.828 1.00 50.28 ? 871 ALA A CB 1 \nATOM 1357 N N . GLU A 1 180 ? 37.784 33.610 -0.363 1.00 52.01 ? 872 GLU A N 1 \nATOM 1358 C CA . GLU A 1 180 ? 37.262 34.982 -0.336 1.00 56.03 ? 872 GLU A CA 1 \nATOM 1359 C C . GLU A 1 180 ? 36.943 35.500 1.077 1.00 59.17 ? 872 GLU A C 1 \nATOM 1360 O O . GLU A 1 180 ? 36.239 36.500 1.231 1.00 61.85 ? 872 GLU A O 1 \nATOM 1361 C CB . GLU A 1 180 ? 36.029 35.099 -1.244 1.00 68.02 ? 872 GLU A CB 1 \nATOM 1362 C CG . GLU A 1 180 ? 36.346 35.099 -2.734 1.00 77.21 ? 872 GLU A CG 1 \nATOM 1363 C CD . GLU A 1 180 ? 35.157 34.711 -3.601 1.00 97.81 ? 872 GLU A CD 1 \nATOM 1364 O OE1 . GLU A 1 180 ? 34.010 35.092 -3.275 1.00 102.61 ? 872 GLU A OE1 1 \nATOM 1365 O OE2 . GLU A 1 180 ? 35.372 34.023 -4.622 1.00 97.00 ? 872 GLU A OE2 1 \nATOM 1366 N N . GLY A 1 181 ? 37.469 34.823 2.098 1.00 58.69 ? 873 GLY A N 1 \nATOM 1367 C CA . GLY A 1 181 ? 37.326 35.262 3.487 1.00 54.40 ? 873 GLY A CA 1 \nATOM 1368 C C . GLY A 1 181 ? 36.155 34.670 4.258 1.00 44.99 ? 873 GLY A C 1 \nATOM 1369 O O . GLY A 1 181 ? 35.994 34.948 5.449 1.00 46.72 ? 873 GLY A O 1 \nATOM 1370 N N . GLY A 1 182 ? 35.348 33.841 3.597 1.00 41.02 ? 874 GLY A N 1 \nATOM 1371 C CA . GLY A 1 182 ? 34.156 33.248 4.231 1.00 46.70 ? 874 GLY A CA 1 \nATOM 1372 C C . GLY A 1 182 ? 34.533 32.316 5.367 1.00 46.89 ? 874 GLY A C 1 \nATOM 1373 O O . GLY A 1 182 ? 35.565 31.640 5.303 1.00 38.65 ? 874 GLY A O 1 \nATOM 1374 N N . LYS A 1 183 ? 33.707 32.283 6.417 1.00 40.97 ? 875 LYS A N 1 \nATOM 1375 C CA . LYS A 1 183 ? 33.971 31.414 7.573 1.00 44.70 ? 875 LYS A CA 1 \nATOM 1376 C C . LYS A 1 183 ? 32.851 30.407 7.758 1.00 45.71 ? 875 LYS A C 1 \nATOM 1377 O O . LYS A 1 183 ? 31.728 30.605 7.264 1.00 42.27 ? 875 LYS A O 1 \nATOM 1378 C CB . LYS A 1 183 ? 34.153 32.227 8.861 1.00 57.63 ? 875 LYS A CB 1 \nATOM 1379 C CG . LYS A 1 183 ? 35.303 33.225 8.833 1.00 64.74 ? 875 LYS A CG 1 \nATOM 1380 C CD . LYS A 1 183 ? 36.627 32.601 9.255 1.00 68.35 ? 875 LYS A CD 1 \nATOM 1381 C CE . LYS A 1 183 ? 37.710 33.669 9.334 1.00 73.60 ? 875 LYS A CE 1 \nATOM 1382 N NZ . LYS A 1 183 ? 38.878 33.251 10.159 1.00 70.79 ? 875 LYS A NZ 1 \nATOM 1383 N N . VAL A 1 184 ? 33.178 29.320 8.449 1.00 41.20 ? 876 VAL A N 1 \nATOM 1384 C CA . VAL A 1 184 ? 32.211 28.241 8.736 1.00 40.30 ? 876 VAL A CA 1 \nATOM 1385 C C . VAL A 1 184 ? 32.294 27.905 10.232 1.00 36.00 ? 876 VAL A C 1 \nATOM 1386 O O . VAL A 1 184 ? 33.310 28.204 10.880 1.00 41.42 ? 876 VAL A O 1 \nATOM 1387 C CB . VAL A 1 184 ? 32.448 26.993 7.845 1.00 35.33 ? 876 VAL A CB 1 \nATOM 1388 C CG1 . VAL A 1 184 ? 31.864 27.218 6.452 1.00 38.11 ? 876 VAL A CG1 1 \nATOM 1389 C CG2 . VAL A 1 184 ? 33.937 26.669 7.743 1.00 40.25 ? 876 VAL A CG2 1 \nATOM 1390 N N . PRO A 1 185 ? 31.232 27.304 10.788 1.00 36.65 ? 877 PRO A N 1 \nATOM 1391 C CA . PRO A 1 185 ? 31.168 27.085 12.243 1.00 32.43 ? 877 PRO A CA 1 \nATOM 1392 C C . PRO A 1 185 ? 31.989 25.871 12.669 1.00 33.61 ? 877 PRO A C 1 \nATOM 1393 O O . PRO A 1 185 ? 31.446 24.822 12.981 1.00 29.15 ? 877 PRO A O 1 \nATOM 1394 C CB . PRO A 1 185 ? 29.664 26.864 12.491 1.00 35.69 ? 877 PRO A CB 1 \nATOM 1395 C CG . PRO A 1 185 ? 29.144 26.302 11.211 1.00 33.67 ? 877 PRO A CG 1 \nATOM 1396 C CD . PRO A 1 185 ? 29.979 26.910 10.106 1.00 41.66 ? 877 PRO A CD 1 \nATOM 1397 N N . ILE A 1 186 ? 33.310 26.025 12.729 1.00 27.90 ? 878 ILE A N 1 \nATOM 1398 C CA . ILE A 1 186 ? 34.195 24.889 12.915 1.00 32.46 ? 878 ILE A CA 1 \nATOM 1399 C C . ILE A 1 186 ? 33.910 24.020 14.142 1.00 28.85 ? 878 ILE A C 1 \nATOM 1400 O O . ILE A 1 186 ? 34.082 22.801 14.086 1.00 28.98 ? 878 ILE A O 1 \nATOM 1401 C CB . ILE A 1 186 ? 35.683 25.345 12.980 1.00 32.09 ? 878 ILE A CB 1 \nATOM 1402 C CG1 . ILE A 1 186 ? 36.148 25.881 11.621 1.00 36.30 ? 878 ILE A CG1 1 \nATOM 1403 C CG2 . ILE A 1 186 ? 36.569 24.207 13.469 1.00 32.69 ? 878 ILE A CG2 1 \nATOM 1404 C CD1 . ILE A 1 186 ? 36.435 24.842 10.543 1.00 39.95 ? 878 ILE A CD1 1 \nATOM 1405 N N . LYS A 1 187 ? 33.533 24.645 15.259 1.00 29.60 ? 879 LYS A N 1 \nATOM 1406 C CA . LYS A 1 187 ? 33.367 23.911 16.510 1.00 26.22 ? 879 LYS A CA 1 \nATOM 1407 C C . LYS A 1 187 ? 32.094 23.034 16.526 1.00 24.84 ? 879 LYS A C 1 \nATOM 1408 O O . LYS A 1 187 ? 31.891 22.260 17.448 1.00 28.78 ? 879 LYS A O 1 \nATOM 1409 C CB . LYS A 1 187 ? 33.430 24.858 17.716 1.00 28.83 ? 879 LYS A CB 1 \nATOM 1410 C CG . LYS A 1 187 ? 34.842 25.401 17.951 1.00 38.19 ? 879 LYS A CG 1 \nATOM 1411 C CD . LYS A 1 187 ? 34.830 26.562 18.934 1.00 40.19 ? 879 LYS A CD 1 \nATOM 1412 C CE . LYS A 1 187 ? 36.246 27.029 19.228 1.00 32.84 ? 879 LYS A CE 1 \nATOM 1413 N NZ . LYS A 1 187 ? 36.263 28.136 20.240 1.00 34.70 ? 879 LYS A NZ 1 \nATOM 1414 N N . TRP A 1 188 ? 31.280 23.157 15.489 1.00 24.85 ? 880 TRP A N 1 \nATOM 1415 C CA . TRP A 1 188 ? 30.110 22.292 15.307 1.00 31.64 ? 880 TRP A CA 1 \nATOM 1416 C C . TRP A 1 188 ? 30.306 21.259 14.183 1.00 30.59 ? 880 TRP A C 1 \nATOM 1417 O O . TRP A 1 188 ? 29.457 20.390 13.978 1.00 34.02 ? 880 TRP A O 1 \nATOM 1418 C CB . TRP A 1 188 ? 28.878 23.149 15.031 1.00 27.14 ? 880 TRP A CB 1 \nATOM 1419 C CG . TRP A 1 188 ? 28.339 23.795 16.290 1.00 28.73 ? 880 TRP A CG 1 \nATOM 1420 C CD1 . TRP A 1 188 ? 27.276 23.367 17.051 1.00 28.66 ? 880 TRP A CD1 1 \nATOM 1421 C CD2 . TRP A 1 188 ? 28.859 24.962 16.945 1.00 31.97 ? 880 TRP A CD2 1 \nATOM 1422 N NE1 . TRP A 1 188 ? 27.115 24.199 18.138 1.00 28.60 ? 880 TRP A NE1 1 \nATOM 1423 C CE2 . TRP A 1 188 ? 28.064 25.190 18.091 1.00 30.62 ? 880 TRP A CE2 1 \nATOM 1424 C CE3 . TRP A 1 188 ? 29.917 25.850 16.662 1.00 31.59 ? 880 TRP A CE3 1 \nATOM 1425 C CZ2 . TRP A 1 188 ? 28.291 26.276 18.965 1.00 31.23 ? 880 TRP A CZ2 1 \nATOM 1426 C CZ3 . TRP A 1 188 ? 30.154 26.923 17.542 1.00 30.88 ? 880 TRP A CZ3 1 \nATOM 1427 C CH2 . TRP A 1 188 ? 29.358 27.112 18.676 1.00 25.65 ? 880 TRP A CH2 1 \nATOM 1428 N N . MET A 1 189 ? 31.427 21.349 13.460 1.00 27.44 ? 881 MET A N 1 \nATOM 1429 C CA . MET A 1 189 ? 31.540 20.623 12.193 1.00 26.86 ? 881 MET A CA 1 \nATOM 1430 C C . MET A 1 189 ? 32.150 19.249 12.353 1.00 28.50 ? 881 MET A C 1 \nATOM 1431 O O . MET A 1 189 ? 33.062 19.068 13.159 1.00 28.72 ? 881 MET A O 1 \nATOM 1432 C CB . MET A 1 189 ? 32.326 21.432 11.154 1.00 29.39 ? 881 MET A CB 1 \nATOM 1433 C CG . MET A 1 189 ? 31.563 22.600 10.554 1.00 32.10 ? 881 MET A CG 1 \nATOM 1434 S SD . MET A 1 189 ? 32.705 23.710 9.728 1.00 36.98 ? 881 MET A SD 1 \nATOM 1435 C CE . MET A 1 189 ? 33.274 22.696 8.370 1.00 32.20 ? 881 MET A CE 1 \nATOM 1436 N N . ALA A 1 190 ? 31.666 18.280 11.573 1.00 27.59 ? 882 ALA A N 1 \nATOM 1437 C CA . ALA A 1 190 ? 32.274 16.941 11.583 1.00 23.42 ? 882 ALA A CA 1 \nATOM 1438 C C . ALA A 1 190 ? 33.701 17.054 11.025 1.00 26.24 ? 882 ALA A C 1 \nATOM 1439 O O . ALA A 1 190 ? 33.983 17.914 10.193 1.00 25.83 ? 882 ALA A O 1 \nATOM 1440 C CB . ALA A 1 190 ? 31.483 15.966 10.710 1.00 21.36 ? 882 ALA A CB 1 \nATOM 1441 N N . LEU A 1 191 ? 34.575 16.153 11.432 1.00 29.23 ? 883 LEU A N 1 \nATOM 1442 C CA . LEU A 1 191 ? 35.973 16.210 10.953 1.00 30.11 ? 883 LEU A CA 1 \nATOM 1443 C C . LEU A 1 191 ? 36.095 16.155 9.415 1.00 31.93 ? 883 LEU A C 1 \nATOM 1444 O O . LEU A 1 191 ? 36.886 16.913 8.820 1.00 28.83 ? 883 LEU A O 1 \nATOM 1445 C CB . LEU A 1 191 ? 36.804 15.101 11.603 1.00 29.10 ? 883 LEU A CB 1 \nATOM 1446 C CG . LEU A 1 191 ? 38.327 15.214 11.398 1.00 28.93 ? 883 LEU A CG 1 \nATOM 1447 C CD1 . LEU A 1 191 ? 38.797 16.632 11.665 1.00 33.97 ? 883 LEU A CD1 1 \nATOM 1448 C CD2 . LEU A 1 191 ? 39.017 14.211 12.293 1.00 29.31 ? 883 LEU A CD2 1 \nATOM 1449 N N . GLU A 1 192 ? 35.311 15.288 8.761 1.00 21.95 ? 884 GLU A N 1 \nATOM 1450 C CA . GLU A 1 192 ? 35.344 15.209 7.296 1.00 22.92 ? 884 GLU A CA 1 \nATOM 1451 C C . GLU A 1 192 ? 34.876 16.508 6.591 1.00 26.17 ? 884 GLU A C 1 \nATOM 1452 O O . GLU A 1 192 ? 35.268 16.778 5.447 1.00 24.35 ? 884 GLU A O 1 \nATOM 1453 C CB . GLU A 1 192 ? 34.646 13.943 6.753 1.00 26.86 ? 884 GLU A CB 1 \nATOM 1454 C CG . GLU A 1 192 ? 33.105 13.951 6.895 1.00 27.94 ? 884 GLU A CG 1 \nATOM 1455 C CD . GLU A 1 192 ? 32.564 13.567 8.273 1.00 29.05 ? 884 GLU A CD 1 \nATOM 1456 O OE1 . GLU A 1 192 ? 33.301 13.408 9.265 1.00 25.06 ? 884 GLU A OE1 1 \nATOM 1457 O OE2 . GLU A 1 192 ? 31.319 13.447 8.409 1.00 23.90 ? 884 GLU A OE2 1 \nATOM 1458 N N . SER A 1 193 ? 34.033 17.294 7.263 1.00 30.81 ? 885 SER A N 1 \nATOM 1459 C CA . SER A 1 193 ? 33.587 18.585 6.721 1.00 25.73 ? 885 SER A CA 1 \nATOM 1460 C C . SER A 1 193 ? 34.723 19.608 6.802 1.00 27.51 ? 885 SER A C 1 \nATOM 1461 O O . SER A 1 193 ? 34.939 20.392 5.877 1.00 29.16 ? 885 SER A O 1 \nATOM 1462 C CB . SER A 1 193 ? 32.382 19.102 7.520 1.00 26.41 ? 885 SER A CB 1 \nATOM 1463 O OG . SER A 1 193 ? 31.330 18.146 7.461 1.00 29.44 ? 885 SER A OG 1 \nATOM 1464 N N . ILE A 1 194 ? 35.414 19.578 7.929 1.00 25.32 ? 886 ILE A N 1 \nATOM 1465 C CA . ILE A 1 194 ? 36.574 20.454 8.176 1.00 30.05 ? 886 ILE A CA 1 \nATOM 1466 C C . ILE A 1 194 ? 37.659 20.144 7.152 1.00 30.18 ? 886 ILE A C 1 \nATOM 1467 O O . ILE A 1 194 ? 38.150 21.055 6.475 1.00 32.84 ? 886 ILE A O 1 \nATOM 1468 C CB . ILE A 1 194 ? 37.110 20.303 9.615 1.00 36.22 ? 886 ILE A CB 1 \nATOM 1469 C CG1 . ILE A 1 194 ? 36.049 20.780 10.634 1.00 31.72 ? 886 ILE A CG1 1 \nATOM 1470 C CG2 . ILE A 1 194 ? 38.400 21.107 9.804 1.00 32.89 ? 886 ILE A CG2 1 \nATOM 1471 C CD1 . ILE A 1 194 ? 36.393 20.470 12.086 1.00 30.73 ? 886 ILE A CD1 1 \nATOM 1472 N N . LEU A 1 195 ? 37.993 18.853 6.989 1.00 31.51 ? 887 LEU A N 1 \nATOM 1473 C CA . LEU A 1 195 ? 39.125 18.443 6.148 1.00 34.19 ? 887 LEU A CA 1 \nATOM 1474 C C . LEU A 1 195 ? 38.849 18.409 4.655 1.00 36.04 ? 887 LEU A C 1 \nATOM 1475 O O . LEU A 1 195 ? 39.732 18.687 3.891 1.00 26.34 ? 887 LEU A O 1 \nATOM 1476 C CB . LEU A 1 195 ? 39.729 17.097 6.600 1.00 30.53 ? 887 LEU A CB 1 \nATOM 1477 C CG . LEU A 1 195 ? 40.150 17.042 8.077 1.00 39.64 ? 887 LEU A CG 1 \nATOM 1478 C CD1 . LEU A 1 195 ? 40.469 15.608 8.488 1.00 38.89 ? 887 LEU A CD1 1 \nATOM 1479 C CD2 . LEU A 1 195 ? 41.336 17.967 8.366 1.00 35.87 ? 887 LEU A CD2 1 \nATOM 1480 N N . HIS A 1 196 ? 37.628 18.086 4.233 1.00 26.10 ? 888 HIS A N 1 \nATOM 1481 C CA . HIS A 1 196 ? 37.369 17.835 2.818 1.00 24.98 ? 888 HIS A CA 1 \nATOM 1482 C C . HIS A 1 196 ? 36.058 18.409 2.302 1.00 28.24 ? 888 HIS A C 1 \nATOM 1483 O O . HIS A 1 196 ? 35.654 18.072 1.186 1.00 27.84 ? 888 HIS A O 1 \nATOM 1484 C CB . HIS A 1 196 ? 37.363 16.319 2.542 1.00 29.19 ? 888 HIS A CB 1 \nATOM 1485 C CG . HIS A 1 196 ? 38.705 15.681 2.728 1.00 31.15 ? 888 HIS A CG 1 \nATOM 1486 N ND1 . HIS A 1 196 ? 39.739 15.857 1.835 1.00 34.56 ? 888 HIS A ND1 1 \nATOM 1487 C CD2 . HIS A 1 196 ? 39.188 14.892 3.718 1.00 31.38 ? 888 HIS A CD2 1 \nATOM 1488 C CE1 . HIS A 1 196 ? 40.807 15.208 2.270 1.00 34.69 ? 888 HIS A CE1 1 \nATOM 1489 N NE2 . HIS A 1 196 ? 40.496 14.601 3.401 1.00 35.08 ? 888 HIS A NE2 1 \nATOM 1490 N N . ARG A 1 197 ? 35.422 19.255 3.114 1.00 25.02 ? 889 ARG A N 1 \nATOM 1491 C CA . ARG A 1 197 ? 34.179 19.942 2.731 1.00 32.39 ? 889 ARG A CA 1 \nATOM 1492 C C . ARG A 1 197 ? 33.118 18.923 2.370 1.00 26.78 ? 889 ARG A C 1 \nATOM 1493 O O . ARG A 1 197 ? 32.276 19.159 1.484 1.00 29.23 ? 889 ARG A O 1 \nATOM 1494 C CB . ARG A 1 197 ? 34.429 20.930 1.578 1.00 31.37 ? 889 ARG A CB 1 \nATOM 1495 C CG . ARG A 1 197 ? 35.516 21.943 1.891 1.00 33.25 ? 889 ARG A CG 1 \nATOM 1496 C CD . ARG A 1 197 ? 35.608 22.980 0.779 1.00 39.11 ? 889 ARG A CD 1 \nATOM 1497 N NE . ARG A 1 197 ? 36.544 24.044 1.105 1.00 37.65 ? 889 ARG A NE 1 \nATOM 1498 C CZ . ARG A 1 197 ? 37.701 24.266 0.468 1.00 46.93 ? 889 ARG A CZ 1 \nATOM 1499 N NH1 . ARG A 1 197 ? 38.074 23.526 -0.570 1.00 38.03 ? 889 ARG A NH1 1 \nATOM 1500 N NH2 . ARG A 1 197 ? 38.476 25.267 0.846 1.00 40.00 ? 889 ARG A NH2 1 \nATOM 1501 N N . ILE A 1 198 ? 33.175 17.774 3.039 1.00 26.13 ? 890 ILE A N 1 \nATOM 1502 C CA . ILE A 1 198 ? 32.145 16.730 2.876 1.00 29.66 ? 890 ILE A CA 1 \nATOM 1503 C C . ILE A 1 198 ? 31.018 17.016 3.855 1.00 26.43 ? 890 ILE A C 1 \nATOM 1504 O O . ILE A 1 198 ? 31.245 17.066 5.063 1.00 26.43 ? 890 ILE A O 1 \nATOM 1505 C CB . ILE A 1 198 ? 32.701 15.296 3.144 1.00 29.59 ? 890 ILE A CB 1 \nATOM 1506 C CG1 . ILE A 1 198 ? 33.716 14.901 2.071 1.00 34.56 ? 890 ILE A CG1 1 \nATOM 1507 C CG2 . ILE A 1 198 ? 31.564 14.262 3.147 1.00 26.41 ? 890 ILE A CG2 1 \nATOM 1508 C CD1 . ILE A 1 198 ? 34.686 13.798 2.502 1.00 27.38 ? 890 ILE A CD1 1 \nATOM 1509 N N . TYR A 1 199 ? 29.787 17.135 3.328 1.00 27.40 ? 891 TYR A N 1 \nATOM 1510 C CA . TYR A 1 199 ? 28.606 17.370 4.144 1.00 29.79 ? 891 TYR A CA 1 \nATOM 1511 C C . TYR A 1 199 ? 27.537 16.381 3.726 1.00 26.49 ? 891 TYR A C 1 \nATOM 1512 O O . TYR A 1 199 ? 27.188 16.314 2.550 1.00 29.21 ? 891 TYR A O 1 \nATOM 1513 C CB . TYR A 1 199 ? 28.046 18.756 3.884 1.00 31.16 ? 891 TYR A CB 1 \nATOM 1514 C CG . TYR A 1 199 ? 28.844 19.897 4.436 1.00 32.59 ? 891 TYR A CG 1 \nATOM 1515 C CD1 . TYR A 1 199 ? 28.639 20.341 5.751 1.00 30.54 ? 891 TYR A CD1 1 \nATOM 1516 C CD2 . TYR A 1 199 ? 29.797 20.548 3.648 1.00 32.80 ? 891 TYR A CD2 1 \nATOM 1517 C CE1 . TYR A 1 199 ? 29.363 21.411 6.254 1.00 37.58 ? 891 TYR A CE1 1 \nATOM 1518 C CE2 . TYR A 1 199 ? 30.514 21.623 4.141 1.00 34.48 ? 891 TYR A CE2 1 \nATOM 1519 C CZ . TYR A 1 199 ? 30.291 22.043 5.443 1.00 35.46 ? 891 TYR A CZ 1 \nATOM 1520 O OH . TYR A 1 199 ? 30.976 23.117 5.945 1.00 42.40 ? 891 TYR A OH 1 \nATOM 1521 N N . THR A 1 200 ? 27.092 15.591 4.699 1.00 27.14 ? 892 THR A N 1 \nATOM 1522 C CA . THR A 1 200 ? 26.052 14.573 4.503 1.00 28.00 ? 892 THR A CA 1 \nATOM 1523 C C . THR A 1 200 ? 25.132 14.670 5.688 1.00 24.99 ? 892 THR A C 1 \nATOM 1524 O O . THR A 1 200 ? 25.394 15.437 6.647 1.00 24.52 ? 892 THR A O 1 \nATOM 1525 C CB . THR A 1 200 ? 26.656 13.161 4.529 1.00 24.93 ? 892 THR A CB 1 \nATOM 1526 O OG1 . THR A 1 200 ? 27.152 12.906 5.842 1.00 26.37 ? 892 THR A OG1 1 \nATOM 1527 C CG2 . THR A 1 200 ? 27.808 13.012 3.492 1.00 29.56 ? 892 THR A CG2 1 \nATOM 1528 N N . HIS A 1 201 ? 24.060 13.868 5.664 1.00 26.44 ? 893 HIS A N 1 \nATOM 1529 C CA . HIS A 1 201 ? 23.230 13.753 6.839 1.00 29.70 ? 893 HIS A CA 1 \nATOM 1530 C C . HIS A 1 201 ? 23.987 13.219 8.061 1.00 24.12 ? 893 HIS A C 1 \nATOM 1531 O O . HIS A 1 201 ? 23.680 13.585 9.197 1.00 22.63 ? 893 HIS A O 1 \nATOM 1532 C CB . HIS A 1 201 ? 21.929 12.993 6.484 1.00 25.97 ? 893 HIS A CB 1 \nATOM 1533 C CG . HIS A 1 201 ? 21.172 13.679 5.386 1.00 27.52 ? 893 HIS A CG 1 \nATOM 1534 N ND1 . HIS A 1 201 ? 20.529 14.883 5.575 1.00 28.59 ? 893 HIS A ND1 1 \nATOM 1535 C CD2 . HIS A 1 201 ? 21.051 13.390 4.069 1.00 28.83 ? 893 HIS A CD2 1 \nATOM 1536 C CE1 . HIS A 1 201 ? 20.035 15.299 4.425 1.00 27.39 ? 893 HIS A CE1 1 \nATOM 1537 N NE2 . HIS A 1 201 ? 20.298 14.394 3.505 1.00 32.49 ? 893 HIS A NE2 1 \nATOM 1538 N N . GLN A 1 202 ? 25.059 12.470 7.828 1.00 26.66 ? 894 GLN A N 1 \nATOM 1539 C CA . GLN A 1 202 ? 25.919 11.997 8.926 1.00 29.47 ? 894 GLN A CA 1 \nATOM 1540 C C . GLN A 1 202 ? 26.906 13.056 9.499 1.00 26.86 ? 894 GLN A C 1 \nATOM 1541 O O . GLN A 1 202 ? 27.298 12.991 10.667 1.00 22.97 ? 894 GLN A O 1 \nATOM 1542 C CB . GLN A 1 202 ? 26.654 10.708 8.491 1.00 27.17 ? 894 GLN A CB 1 \nATOM 1543 C CG . GLN A 1 202 ? 25.705 9.525 8.192 1.00 24.91 ? 894 GLN A CG 1 \nATOM 1544 C CD . GLN A 1 202 ? 24.783 9.234 9.369 1.00 30.07 ? 894 GLN A CD 1 \nATOM 1545 O OE1 . GLN A 1 202 ? 23.581 9.588 9.349 1.00 27.00 ? 894 GLN A OE1 1 \nATOM 1546 N NE2 . GLN A 1 202 ? 25.334 8.605 10.418 1.00 27.72 ? 894 GLN A NE2 1 \nATOM 1547 N N . SER A 1 203 ? 27.288 14.034 8.695 1.00 24.14 ? 895 SER A N 1 \nATOM 1548 C CA . SER A 1 203 ? 27.927 15.211 9.257 1.00 27.27 ? 895 SER A CA 1 \nATOM 1549 C C . SER A 1 203 ? 26.958 16.056 10.075 1.00 27.74 ? 895 SER A C 1 \nATOM 1550 O O . SER A 1 203 ? 27.372 16.618 11.077 1.00 25.43 ? 895 SER A O 1 \nATOM 1551 C CB . SER A 1 203 ? 28.699 16.026 8.208 1.00 31.60 ? 895 SER A CB 1 \nATOM 1552 O OG . SER A 1 203 ? 27.862 16.621 7.234 1.00 25.89 ? 895 SER A OG 1 \nATOM 1553 N N . ASP A 1 204 ? 25.672 16.123 9.675 1.00 26.73 ? 896 ASP A N 1 \nATOM 1554 C CA . ASP A 1 204 ? 24.643 16.770 10.518 1.00 24.53 ? 896 ASP A CA 1 \nATOM 1555 C C . ASP A 1 204 ? 24.481 16.058 11.860 1.00 20.29 ? 896 ASP A C 1 \nATOM 1556 O O . ASP A 1 204 ? 24.275 16.687 12.887 1.00 22.46 ? 896 ASP A O 1 \nATOM 1557 C CB . ASP A 1 204 ? 23.246 16.817 9.833 1.00 28.43 ? 896 ASP A CB 1 \nATOM 1558 C CG . ASP A 1 204 ? 23.121 17.900 8.737 1.00 31.24 ? 896 ASP A CG 1 \nATOM 1559 O OD1 . ASP A 1 204 ? 22.115 17.834 7.982 1.00 27.91 ? 896 ASP A OD1 1 \nATOM 1560 O OD2 . ASP A 1 204 ? 23.997 18.781 8.573 1.00 26.34 ? 896 ASP A OD2 1 \nATOM 1561 N N . VAL A 1 205 ? 24.598 14.736 11.846 1.00 20.23 ? 897 VAL A N 1 \nATOM 1562 C CA . VAL A 1 205 ? 24.610 13.991 13.102 1.00 19.28 ? 897 VAL A CA 1 \nATOM 1563 C C . VAL A 1 205 ? 25.629 14.450 14.120 1.00 25.81 ? 897 VAL A C 1 \nATOM 1564 O O . VAL A 1 205 ? 25.320 14.560 15.295 1.00 22.78 ? 897 VAL A O 1 \nATOM 1565 C CB . VAL A 1 205 ? 24.658 12.448 12.868 1.00 19.54 ? 897 VAL A CB 1 \nATOM 1566 C CG1 . VAL A 1 205 ? 24.843 11.704 14.183 1.00 19.88 ? 897 VAL A CG1 1 \nATOM 1567 C CG2 . VAL A 1 205 ? 23.325 11.945 12.233 1.00 24.43 ? 897 VAL A CG2 1 \nATOM 1568 N N . TRP A 1 206 ? 26.864 14.693 13.659 1.00 21.20 ? 898 TRP A N 1 \nATOM 1569 C CA . TRP A 1 206 ? 27.927 15.223 14.521 1.00 24.82 ? 898 TRP A CA 1 \nATOM 1570 C C . TRP A 1 206 ? 27.505 16.541 15.151 1.00 23.28 ? 898 TRP A C 1 \nATOM 1571 O O . TRP A 1 206 ? 27.615 16.712 16.379 1.00 21.81 ? 898 TRP A O 1 \nATOM 1572 C CB . TRP A 1 206 ? 29.205 15.401 13.666 1.00 22.74 ? 898 TRP A CB 1 \nATOM 1573 C CG . TRP A 1 206 ? 30.380 15.970 14.398 1.00 20.42 ? 898 TRP A CG 1 \nATOM 1574 C CD1 . TRP A 1 206 ? 30.466 17.185 15.058 1.00 24.29 ? 898 TRP A CD1 1 \nATOM 1575 C CD2 . TRP A 1 206 ? 31.674 15.336 14.558 1.00 24.05 ? 898 TRP A CD2 1 \nATOM 1576 N NE1 . TRP A 1 206 ? 31.757 17.336 15.607 1.00 23.39 ? 898 TRP A NE1 1 \nATOM 1577 C CE2 . TRP A 1 206 ? 32.494 16.220 15.304 1.00 23.70 ? 898 TRP A CE2 1 \nATOM 1578 C CE3 . TRP A 1 206 ? 32.210 14.127 14.116 1.00 26.61 ? 898 TRP A CE3 1 \nATOM 1579 C CZ2 . TRP A 1 206 ? 33.837 15.910 15.635 1.00 27.97 ? 898 TRP A CZ2 1 \nATOM 1580 C CZ3 . TRP A 1 206 ? 33.568 13.828 14.425 1.00 27.65 ? 898 TRP A CZ3 1 \nATOM 1581 C CH2 . TRP A 1 206 ? 34.333 14.704 15.185 1.00 26.29 ? 898 TRP A CH2 1 \nATOM 1582 N N . SER A 1 207 ? 26.971 17.444 14.316 1.00 21.82 ? 899 SER A N 1 \nATOM 1583 C CA . SER A 1 207 ? 26.558 18.772 14.763 1.00 21.42 ? 899 SER A CA 1 \nATOM 1584 C C . SER A 1 207 ? 25.369 18.645 15.715 1.00 24.08 ? 899 SER A C 1 \nATOM 1585 O O . SER A 1 207 ? 25.228 19.457 16.652 1.00 23.02 ? 899 SER A O 1 \nATOM 1586 C CB . SER A 1 207 ? 26.142 19.636 13.571 1.00 22.79 ? 899 SER A CB 1 \nATOM 1587 O OG . SER A 1 207 ? 27.196 19.709 12.622 1.00 29.32 ? 899 SER A OG 1 \nATOM 1588 N N . TYR A 1 208 ? 24.551 17.615 15.484 1.00 24.08 ? 900 TYR A N 1 \nATOM 1589 C CA . TYR A 1 208 ? 23.474 17.266 16.443 1.00 22.45 ? 900 TYR A CA 1 \nATOM 1590 C C . TYR A 1 208 ? 24.039 16.904 17.797 1.00 24.83 ? 900 TYR A C 1 \nATOM 1591 O O . TYR A 1 208 ? 23.514 17.330 18.811 1.00 22.80 ? 900 TYR A O 1 \nATOM 1592 C CB . TYR A 1 208 ? 22.565 16.129 15.923 1.00 26.91 ? 900 TYR A CB 1 \nATOM 1593 C CG . TYR A 1 208 ? 21.483 15.683 16.918 1.00 24.64 ? 900 TYR A CG 1 \nATOM 1594 C CD1 . TYR A 1 208 ? 21.709 14.629 17.818 1.00 24.58 ? 900 TYR A CD1 1 \nATOM 1595 C CD2 . TYR A 1 208 ? 20.207 16.282 16.921 1.00 29.41 ? 900 TYR A CD2 1 \nATOM 1596 C CE1 . TYR A 1 208 ? 20.714 14.188 18.692 1.00 30.37 ? 900 TYR A CE1 1 \nATOM 1597 C CE2 . TYR A 1 208 ? 19.220 15.867 17.813 1.00 25.82 ? 900 TYR A CE2 1 \nATOM 1598 C CZ . TYR A 1 208 ? 19.472 14.819 18.694 1.00 30.20 ? 900 TYR A CZ 1 \nATOM 1599 O OH . TYR A 1 208 ? 18.495 14.386 19.571 1.00 29.23 ? 900 TYR A OH 1 \nATOM 1600 N N . GLY A 1 209 ? 25.144 16.142 17.822 1.00 25.68 ? 901 GLY A N 1 \nATOM 1601 C CA . GLY A 1 209 ? 25.756 15.748 19.096 1.00 23.98 ? 901 GLY A CA 1 \nATOM 1602 C C . GLY A 1 209 ? 26.223 17.007 19.827 1.00 24.33 ? 901 GLY A C 1 \nATOM 1603 O O . GLY A 1 209 ? 26.101 17.084 21.035 1.00 23.86 ? 901 GLY A O 1 \nATOM 1604 N N . VAL A 1 210 ? 26.818 17.960 19.086 1.00 25.05 ? 902 VAL A N 1 \nATOM 1605 C CA . VAL A 1 210 ? 27.315 19.214 19.683 1.00 21.83 ? 902 VAL A CA 1 \nATOM 1606 C C . VAL A 1 210 ? 26.114 20.019 20.243 1.00 24.08 ? 902 VAL A C 1 \nATOM 1607 O O . VAL A 1 210 ? 26.152 20.532 21.345 1.00 26.25 ? 902 VAL A O 1 \nATOM 1608 C CB . VAL A 1 210 ? 28.167 20.062 18.704 1.00 24.89 ? 902 VAL A CB 1 \nATOM 1609 C CG1 . VAL A 1 210 ? 28.771 21.289 19.420 1.00 26.81 ? 902 VAL A CG1 1 \nATOM 1610 C CG2 . VAL A 1 210 ? 29.308 19.223 18.111 1.00 22.20 ? 902 VAL A CG2 1 \nATOM 1611 N N . THR A 1 211 ? 25.058 20.097 19.457 1.00 23.91 ? 903 THR A N 1 \nATOM 1612 C CA . THR A 1 211 ? 23.826 20.789 19.902 1.00 24.59 ? 903 THR A CA 1 \nATOM 1613 C C . THR A 1 211 ? 23.306 20.220 21.235 1.00 20.47 ? 903 THR A C 1 \nATOM 1614 O O . THR A 1 211 ? 23.031 20.953 22.193 1.00 23.36 ? 903 THR A O 1 \nATOM 1615 C CB . THR A 1 211 ? 22.761 20.724 18.787 1.00 22.55 ? 903 THR A CB 1 \nATOM 1616 O OG1 . THR A 1 211 ? 23.273 21.268 17.569 1.00 24.10 ? 903 THR A OG1 1 \nATOM 1617 C CG2 . THR A 1 211 ? 21.429 21.492 19.168 1.00 24.23 ? 903 THR A CG2 1 \nATOM 1618 N N . VAL A 1 212 ? 23.170 18.901 21.300 1.00 22.65 ? 904 VAL A N 1 \nATOM 1619 C CA . VAL A 1 212 ? 22.729 18.231 22.517 1.00 24.32 ? 904 VAL A CA 1 \nATOM 1620 C C . VAL A 1 212 ? 23.639 18.562 23.686 1.00 29.53 ? 904 VAL A C 1 \nATOM 1621 O O . VAL A 1 212 ? 23.174 18.813 24.780 1.00 25.51 ? 904 VAL A O 1 \nATOM 1622 C CB . VAL A 1 212 ? 22.614 16.698 22.303 1.00 26.14 ? 904 VAL A CB 1 \nATOM 1623 C CG1 . VAL A 1 212 ? 22.367 15.967 23.621 1.00 32.14 ? 904 VAL A CG1 1 \nATOM 1624 C CG2 . VAL A 1 212 ? 21.469 16.388 21.352 1.00 29.78 ? 904 VAL A CG2 1 \nATOM 1625 N N . TRP A 1 213 ? 24.951 18.547 23.442 1.00 25.37 ? 905 TRP A N 1 \nATOM 1626 C CA . TRP A 1 213 ? 25.909 18.952 24.450 1.00 26.02 ? 905 TRP A CA 1 \nATOM 1627 C C . TRP A 1 213 ? 25.618 20.397 24.929 1.00 25.24 ? 905 TRP A C 1 \nATOM 1628 O O . TRP A 1 213 ? 25.647 20.692 26.122 1.00 25.58 ? 905 TRP A O 1 \nATOM 1629 C CB . TRP A 1 213 ? 27.344 18.846 23.879 1.00 27.12 ? 905 TRP A CB 1 \nATOM 1630 C CG . TRP A 1 213 ? 28.457 19.135 24.901 1.00 29.75 ? 905 TRP A CG 1 \nATOM 1631 C CD1 . TRP A 1 213 ? 29.071 18.227 25.727 1.00 29.86 ? 905 TRP A CD1 1 \nATOM 1632 C CD2 . TRP A 1 213 ? 29.059 20.406 25.194 1.00 29.09 ? 905 TRP A CD2 1 \nATOM 1633 N NE1 . TRP A 1 213 ? 30.016 18.857 26.518 1.00 27.53 ? 905 TRP A NE1 1 \nATOM 1634 C CE2 . TRP A 1 213 ? 30.038 20.187 26.202 1.00 31.67 ? 905 TRP A CE2 1 \nATOM 1635 C CE3 . TRP A 1 213 ? 28.896 21.705 24.680 1.00 29.99 ? 905 TRP A CE3 1 \nATOM 1636 C CZ2 . TRP A 1 213 ? 30.822 21.226 26.732 1.00 31.76 ? 905 TRP A CZ2 1 \nATOM 1637 C CZ3 . TRP A 1 213 ? 29.670 22.739 25.211 1.00 29.19 ? 905 TRP A CZ3 1 \nATOM 1638 C CH2 . TRP A 1 213 ? 30.632 22.487 26.218 1.00 31.16 ? 905 TRP A CH2 1 \nATOM 1639 N N . GLU A 1 214 ? 25.375 21.300 23.992 1.00 23.57 ? 906 GLU A N 1 \nATOM 1640 C CA . GLU A 1 214 ? 25.081 22.673 24.361 1.00 26.68 ? 906 GLU A CA 1 \nATOM 1641 C C . GLU A 1 214 ? 23.849 22.707 25.272 1.00 29.46 ? 906 GLU A C 1 \nATOM 1642 O O . GLU A 1 214 ? 23.811 23.439 26.244 1.00 30.72 ? 906 GLU A O 1 \nATOM 1643 C CB . GLU A 1 214 ? 24.731 23.494 23.126 1.00 29.21 ? 906 GLU A CB 1 \nATOM 1644 C CG . GLU A 1 214 ? 25.885 23.793 22.205 1.00 26.76 ? 906 GLU A CG 1 \nATOM 1645 C CD . GLU A 1 214 ? 25.419 24.646 21.045 1.00 26.29 ? 906 GLU A CD 1 \nATOM 1646 O OE1 . GLU A 1 214 ? 25.522 25.884 21.177 1.00 28.98 ? 906 GLU A OE1 1 \nATOM 1647 O OE2 . GLU A 1 214 ? 24.934 24.103 20.035 1.00 28.76 ? 906 GLU A OE2 1 \nATOM 1648 N N . LEU A 1 215 ? 22.852 21.897 24.946 1.00 28.88 ? 907 LEU A N 1 \nATOM 1649 C CA . LEU A 1 215 ? 21.629 21.859 25.737 1.00 31.17 ? 907 LEU A CA 1 \nATOM 1650 C C . LEU A 1 215 ? 21.876 21.375 27.176 1.00 30.41 ? 907 LEU A C 1 \nATOM 1651 O O . LEU A 1 215 ? 21.476 22.031 28.157 1.00 31.35 ? 907 LEU A O 1 \nATOM 1652 C CB . LEU A 1 215 ? 20.588 20.965 25.036 1.00 30.07 ? 907 LEU A CB 1 \nATOM 1653 C CG . LEU A 1 215 ? 20.073 21.493 23.692 1.00 29.46 ? 907 LEU A CG 1 \nATOM 1654 C CD1 . LEU A 1 215 ? 18.881 20.670 23.250 1.00 32.66 ? 907 LEU A CD1 1 \nATOM 1655 C CD2 . LEU A 1 215 ? 19.698 22.976 23.760 1.00 30.38 ? 907 LEU A CD2 1 \nATOM 1656 N N . MET A 1 216 ? 22.572 20.248 27.280 1.00 33.26 ? 908 MET A N 1 \nATOM 1657 C CA . MET A 1 216 ? 22.815 19.567 28.555 1.00 33.03 ? 908 MET A CA 1 \nATOM 1658 C C . MET A 1 216 ? 23.776 20.319 29.480 1.00 33.19 ? 908 MET A C 1 \nATOM 1659 O O . MET A 1 216 ? 23.833 20.034 30.667 1.00 32.50 ? 908 MET A O 1 \nATOM 1660 C CB . MET A 1 216 ? 23.378 18.162 28.308 1.00 29.57 ? 908 MET A CB 1 \nATOM 1661 C CG . MET A 1 216 ? 22.499 17.227 27.502 1.00 31.43 ? 908 MET A CG 1 \nATOM 1662 S SD . MET A 1 216 ? 20.915 16.950 28.305 1.00 38.14 ? 908 MET A SD 1 \nATOM 1663 C CE . MET A 1 216 ? 19.955 16.171 26.994 1.00 35.57 ? 908 MET A CE 1 \nATOM 1664 N N . THR A 1 217 ? 24.529 21.266 28.926 1.00 34.84 ? 909 THR A N 1 \nATOM 1665 C CA . THR A 1 217 ? 25.422 22.110 29.715 1.00 31.46 ? 909 THR A CA 1 \nATOM 1666 C C . THR A 1 217 ? 24.758 23.462 29.973 1.00 35.43 ? 909 THR A C 1 \nATOM 1667 O O . THR A 1 217 ? 25.369 24.375 30.533 1.00 33.37 ? 909 THR A O 1 \nATOM 1668 C CB . THR A 1 217 ? 26.755 22.383 28.990 1.00 30.17 ? 909 THR A CB 1 \nATOM 1669 O OG1 . THR A 1 217 ? 26.503 23.074 27.759 1.00 32.39 ? 909 THR A OG1 1 \nATOM 1670 C CG2 . THR A 1 217 ? 27.548 21.085 28.733 1.00 34.41 ? 909 THR A CG2 1 \nATOM 1671 N N . PHE A 1 218 ? 23.507 23.580 29.542 1.00 32.72 ? 910 PHE A N 1 \nATOM 1672 C CA . PHE A 1 218 ? 22.753 24.834 29.661 1.00 39.49 ? 910 PHE A CA 1 \nATOM 1673 C C . PHE A 1 218 ? 23.452 25.975 28.916 1.00 37.32 ? 910 PHE A C 1 \nATOM 1674 O O . PHE A 1 218 ? 23.512 27.121 29.379 1.00 34.56 ? 910 PHE A O 1 \nATOM 1675 C CB . PHE A 1 218 ? 22.465 25.145 31.144 1.00 38.60 ? 910 PHE A CB 1 \nATOM 1676 C CG . PHE A 1 218 ? 21.737 24.031 31.852 1.00 35.82 ? 910 PHE A CG 1 \nATOM 1677 C CD1 . PHE A 1 218 ? 20.360 23.874 31.695 1.00 42.92 ? 910 PHE A CD1 1 \nATOM 1678 C CD2 . PHE A 1 218 ? 22.424 23.129 32.671 1.00 39.39 ? 910 PHE A CD2 1 \nATOM 1679 C CE1 . PHE A 1 218 ? 19.684 22.843 32.335 1.00 38.58 ? 910 PHE A CE1 1 \nATOM 1680 C CE2 . PHE A 1 218 ? 21.751 22.095 33.320 1.00 38.85 ? 910 PHE A CE2 1 \nATOM 1681 C CZ . PHE A 1 218 ? 20.377 21.960 33.156 1.00 39.25 ? 910 PHE A CZ 1 \nATOM 1682 N N . GLY A 1 219 ? 23.972 25.646 27.741 1.00 30.24 ? 911 GLY A N 1 \nATOM 1683 C CA . GLY A 1 219 ? 24.480 26.659 26.818 1.00 30.44 ? 911 GLY A CA 1 \nATOM 1684 C C . GLY A 1 219 ? 25.938 27.038 26.976 1.00 31.34 ? 911 GLY A C 1 \nATOM 1685 O O . GLY A 1 219 ? 26.322 28.160 26.631 1.00 31.20 ? 911 GLY A O 1 \nATOM 1686 N N . SER A 1 220 ? 26.761 26.109 27.461 1.00 34.43 ? 912 SER A N 1 \nATOM 1687 C CA . SER A 1 220 ? 28.216 26.310 27.408 1.00 32.44 ? 912 SER A CA 1 \nATOM 1688 C C . SER A 1 220 ? 28.744 26.398 25.977 1.00 30.35 ? 912 SER A C 1 \nATOM 1689 O O . SER A 1 220 ? 28.186 25.815 25.051 1.00 29.13 ? 912 SER A O 1 \nATOM 1690 C CB . SER A 1 220 ? 28.963 25.201 28.160 1.00 37.09 ? 912 SER A CB 1 \nATOM 1691 O OG . SER A 1 220 ? 28.615 25.224 29.524 1.00 37.39 ? 912 SER A OG 1 \nATOM 1692 N N . LYS A 1 221 ? 29.864 27.105 25.822 1.00 34.33 ? 913 LYS A N 1 \nATOM 1693 C CA . LYS A 1 221 ? 30.544 27.258 24.535 1.00 36.05 ? 913 LYS A CA 1 \nATOM 1694 C C . LYS A 1 221 ? 31.469 26.073 24.282 1.00 36.45 ? 913 LYS A C 1 \nATOM 1695 O O . LYS A 1 221 ? 32.367 25.819 25.085 1.00 32.75 ? 913 LYS A O 1 \nATOM 1696 C CB . LYS A 1 221 ? 31.374 28.541 24.538 1.00 37.89 ? 913 LYS A CB 1 \nATOM 1697 C CG . LYS A 1 221 ? 30.549 29.809 24.490 1.00 41.62 ? 913 LYS A CG 1 \nATOM 1698 C CD . LYS A 1 221 ? 31.439 31.046 24.591 1.00 54.77 ? 913 LYS A CD 1 \nATOM 1699 C CE . LYS A 1 221 ? 32.281 31.258 23.338 1.00 63.20 ? 913 LYS A CE 1 \nATOM 1700 N NZ . LYS A 1 221 ? 33.156 32.457 23.448 1.00 79.59 ? 913 LYS A NZ 1 \nATOM 1701 N N . PRO A 1 222 ? 31.254 25.337 23.175 1.00 34.16 ? 914 PRO A N 1 \nATOM 1702 C CA . PRO A 1 222 ? 32.058 24.118 22.968 1.00 29.10 ? 914 PRO A CA 1 \nATOM 1703 C C . PRO A 1 222 ? 33.536 24.481 22.719 1.00 34.77 ? 914 PRO A C 1 \nATOM 1704 O O . PRO A 1 222 ? 33.814 25.439 21.996 1.00 33.33 ? 914 PRO A O 1 \nATOM 1705 C CB . PRO A 1 222 ? 31.411 23.481 21.733 1.00 33.91 ? 914 PRO A CB 1 \nATOM 1706 C CG . PRO A 1 222 ? 30.778 24.614 21.005 1.00 34.78 ? 914 PRO A CG 1 \nATOM 1707 C CD . PRO A 1 222 ? 30.298 25.560 22.076 1.00 32.97 ? 914 PRO A CD 1 \nATOM 1708 N N . TYR A 1 223 ? 34.458 23.737 23.325 1.00 33.25 ? 915 TYR A N 1 \nATOM 1709 C CA . TYR A 1 223 ? 35.895 23.998 23.177 1.00 33.85 ? 915 TYR A CA 1 \nATOM 1710 C C . TYR A 1 223 ? 36.207 25.471 23.468 1.00 39.64 ? 915 TYR A C 1 \nATOM 1711 O O . TYR A 1 223 ? 36.948 26.117 22.718 1.00 45.53 ? 915 TYR A O 1 \nATOM 1712 C CB . TYR A 1 223 ? 36.364 23.665 21.764 1.00 33.52 ? 915 TYR A CB 1 \nATOM 1713 C CG . TYR A 1 223 ? 35.818 22.388 21.190 1.00 29.32 ? 915 TYR A CG 1 \nATOM 1714 C CD1 . TYR A 1 223 ? 36.385 21.162 21.511 1.00 32.58 ? 915 TYR A CD1 1 \nATOM 1715 C CD2 . TYR A 1 223 ? 34.742 22.417 20.307 1.00 36.08 ? 915 TYR A CD2 1 \nATOM 1716 C CE1 . TYR A 1 223 ? 35.888 19.981 20.977 1.00 33.76 ? 915 TYR A CE1 1 \nATOM 1717 C CE2 . TYR A 1 223 ? 34.231 21.250 19.767 1.00 31.31 ? 915 TYR A CE2 1 \nATOM 1718 C CZ . TYR A 1 223 ? 34.802 20.038 20.107 1.00 30.34 ? 915 TYR A CZ 1 \nATOM 1719 O OH . TYR A 1 223 ? 34.315 18.876 19.539 1.00 36.05 ? 915 TYR A OH 1 \nATOM 1720 N N . ASP A 1 224 ? 35.618 25.991 24.543 1.00 43.33 ? 916 ASP A N 1 \nATOM 1721 C CA . ASP A 1 224 ? 35.768 27.396 24.940 1.00 48.23 ? 916 ASP A CA 1 \nATOM 1722 C C . ASP A 1 224 ? 37.254 27.719 25.124 1.00 48.30 ? 916 ASP A C 1 \nATOM 1723 O O . ASP A 1 224 ? 37.983 26.961 25.774 1.00 46.71 ? 916 ASP A O 1 \nATOM 1724 C CB . ASP A 1 224 ? 34.988 27.650 26.242 1.00 52.14 ? 916 ASP A CB 1 \nATOM 1725 C CG . ASP A 1 224 ? 34.922 29.136 26.628 1.00 54.58 ? 916 ASP A CG 1 \nATOM 1726 O OD1 . ASP A 1 224 ? 34.708 29.421 27.821 1.00 60.52 ? 916 ASP A OD1 1 \nATOM 1727 O OD2 . ASP A 1 224 ? 35.064 30.008 25.751 1.00 47.27 ? 916 ASP A OD2 1 \nATOM 1728 N N . GLY A 1 225 ? 37.697 28.813 24.511 1.00 56.46 ? 917 GLY A N 1 \nATOM 1729 C CA . GLY A 1 225 ? 39.085 29.258 24.635 1.00 76.19 ? 917 GLY A CA 1 \nATOM 1730 C C . GLY A 1 225 ? 40.035 28.671 23.604 1.00 72.63 ? 917 GLY A C 1 \nATOM 1731 O O . GLY A 1 225 ? 41.021 29.316 23.238 1.00 63.76 ? 917 GLY A O 1 \nATOM 1732 N N . ILE A 1 226 ? 39.738 27.452 23.143 1.00 63.90 ? 918 ILE A N 1 \nATOM 1733 C CA . ILE A 1 226 ? 40.529 26.764 22.114 1.00 49.40 ? 918 ILE A CA 1 \nATOM 1734 C C . ILE A 1 226 ? 40.345 27.411 20.732 1.00 55.67 ? 918 ILE A C 1 \nATOM 1735 O O . ILE A 1 226 ? 39.215 27.569 20.259 1.00 53.67 ? 918 ILE A O 1 \nATOM 1736 C CB . ILE A 1 226 ? 40.247 25.246 22.089 1.00 58.39 ? 918 ILE A CB 1 \nATOM 1737 C CG1 . ILE A 1 226 ? 40.788 24.592 23.362 1.00 67.71 ? 918 ILE A CG1 1 \nATOM 1738 C CG2 . ILE A 1 226 ? 40.855 24.585 20.856 1.00 49.74 ? 918 ILE A CG2 1 \nATOM 1739 C CD1 . ILE A 1 226 ? 40.277 23.185 23.600 1.00 83.95 ? 918 ILE A CD1 1 \nATOM 1740 N N . PRO A 1 227 ? 41.465 27.809 20.091 1.00 55.34 ? 919 PRO A N 1 \nATOM 1741 C CA . PRO A 1 227 ? 41.367 28.478 18.797 1.00 51.65 ? 919 PRO A CA 1 \nATOM 1742 C C . PRO A 1 227 ? 40.839 27.524 17.737 1.00 46.00 ? 919 PRO A C 1 \nATOM 1743 O O . PRO A 1 227 ? 41.228 26.335 17.700 1.00 36.86 ? 919 PRO A O 1 \nATOM 1744 C CB . PRO A 1 227 ? 42.817 28.854 18.466 1.00 48.91 ? 919 PRO A CB 1 \nATOM 1745 C CG . PRO A 1 227 ? 43.602 28.650 19.726 1.00 59.54 ? 919 PRO A CG 1 \nATOM 1746 C CD . PRO A 1 227 ? 42.867 27.590 20.494 1.00 61.20 ? 919 PRO A CD 1 \nATOM 1747 N N . ALA A 1 228 ? 39.982 28.055 16.877 1.00 42.96 ? 920 ALA A N 1 \nATOM 1748 C CA . ALA A 1 228 ? 39.380 27.267 15.795 1.00 53.07 ? 920 ALA A CA 1 \nATOM 1749 C C . ALA A 1 228 ? 40.428 26.554 14.926 1.00 52.49 ? 920 ALA A C 1 \nATOM 1750 O O . ALA A 1 228 ? 40.200 25.430 14.477 1.00 39.45 ? 920 ALA A O 1 \nATOM 1751 C CB . ALA A 1 228 ? 38.482 28.136 14.939 1.00 41.74 ? 920 ALA A CB 1 \nATOM 1752 N N . SER A 1 229 ? 41.578 27.191 14.706 1.00 42.14 ? 921 SER A N 1 \nATOM 1753 C CA . SER A 1 229 ? 42.638 26.564 13.918 1.00 38.91 ? 921 SER A CA 1 \nATOM 1754 C C . SER A 1 229 ? 43.218 25.280 14.535 1.00 41.47 ? 921 SER A C 1 \nATOM 1755 O O . SER A 1 229 ? 43.852 24.491 13.834 1.00 45.17 ? 921 SER A O 1 \nATOM 1756 C CB . SER A 1 229 ? 43.758 27.580 13.611 1.00 43.76 ? 921 SER A CB 1 \nATOM 1757 O OG . SER A 1 229 ? 44.498 27.894 14.783 1.00 45.49 ? 921 SER A OG 1 \nATOM 1758 N N . GLU A 1 230 ? 42.994 25.066 15.832 1.00 38.81 ? 922 GLU A N 1 \nATOM 1759 C CA . GLU A 1 230 ? 43.508 23.877 16.524 1.00 37.90 ? 922 GLU A CA 1 \nATOM 1760 C C . GLU A 1 230 ? 42.483 22.741 16.610 1.00 32.89 ? 922 GLU A C 1 \nATOM 1761 O O . GLU A 1 230 ? 42.824 21.636 17.051 1.00 37.01 ? 922 GLU A O 1 \nATOM 1762 C CB . GLU A 1 230 ? 43.996 24.218 17.938 1.00 43.95 ? 922 GLU A CB 1 \nATOM 1763 C CG . GLU A 1 230 ? 45.241 25.107 17.988 1.00 58.60 ? 922 GLU A CG 1 \nATOM 1764 C CD . GLU A 1 230 ? 46.562 24.340 17.959 1.00 74.68 ? 922 GLU A CD 1 \nATOM 1765 O OE1 . GLU A 1 230 ? 47.536 24.836 18.567 1.00 92.16 ? 922 GLU A OE1 1 \nATOM 1766 O OE2 . GLU A 1 230 ? 46.653 23.253 17.338 1.00 65.14 ? 922 GLU A OE2 1 \nATOM 1767 N N . ILE A 1 231 ? 41.253 22.998 16.186 1.00 36.85 ? 923 ILE A N 1 \nATOM 1768 C CA . ILE A 1 231 ? 40.183 21.993 16.380 1.00 30.58 ? 923 ILE A CA 1 \nATOM 1769 C C . ILE A 1 231 ? 40.420 20.666 15.649 1.00 27.72 ? 923 ILE A C 1 \nATOM 1770 O O . ILE A 1 231 ? 40.283 19.600 16.258 1.00 32.41 ? 923 ILE A O 1 \nATOM 1771 C CB . ILE A 1 231 ? 38.766 22.575 16.099 1.00 36.31 ? 923 ILE A CB 1 \nATOM 1772 C CG1 . ILE A 1 231 ? 38.369 23.629 17.159 1.00 35.07 ? 923 ILE A CG1 1 \nATOM 1773 C CG2 . ILE A 1 231 ? 37.725 21.455 16.020 1.00 31.73 ? 923 ILE A CG2 1 \nATOM 1774 C CD1 . ILE A 1 231 ? 38.250 23.123 18.592 1.00 32.22 ? 923 ILE A CD1 1 \nATOM 1775 N N . SER A 1 232 ? 40.756 20.704 14.355 1.00 28.13 ? 924 SER A N 1 \nATOM 1776 C CA . SER A 1 232 ? 41.002 19.463 13.633 1.00 35.63 ? 924 SER A CA 1 \nATOM 1777 C C . SER A 1 232 ? 42.110 18.610 14.291 1.00 34.96 ? 924 SER A C 1 \nATOM 1778 O O . SER A 1 232 ? 41.992 17.378 14.352 1.00 29.18 ? 924 SER A O 1 \nATOM 1779 C CB . SER A 1 232 ? 41.305 19.725 12.150 1.00 39.13 ? 924 SER A CB 1 \nATOM 1780 O OG . SER A 1 232 ? 42.613 20.267 11.983 1.00 41.55 ? 924 SER A OG 1 \nATOM 1781 N N . SER A 1 233 ? 43.194 19.226 14.792 1.00 38.53 ? 925 SER A N 1 \nATOM 1782 C CA . SER A 1 233 ? 44.236 18.385 15.393 1.00 37.45 ? 925 SER A CA 1 \nATOM 1783 C C . SER A 1 233 ? 43.771 17.767 16.716 1.00 35.21 ? 925 SER A C 1 \nATOM 1784 O O . SER A 1 233 ? 44.032 16.602 16.994 1.00 33.66 ? 925 SER A O 1 \nATOM 1785 C CB . SER A 1 233 ? 45.579 19.125 15.558 1.00 47.26 ? 925 SER A CB 1 \nATOM 1786 O OG . SER A 1 233 ? 45.435 20.233 16.416 1.00 54.50 ? 925 SER A OG 1 \nATOM 1787 N N . ILE A 1 234 ? 43.029 18.547 17.497 1.00 35.17 ? 926 ILE A N 1 \nATOM 1788 C CA . ILE A 1 234 ? 42.404 18.065 18.728 1.00 40.33 ? 926 ILE A CA 1 \nATOM 1789 C C . ILE A 1 234 ? 41.474 16.855 18.453 1.00 34.53 ? 926 ILE A C 1 \nATOM 1790 O O . ILE A 1 234 ? 41.637 15.787 19.056 1.00 32.95 ? 926 ILE A O 1 \nATOM 1791 C CB . ILE A 1 234 ? 41.718 19.262 19.443 1.00 44.79 ? 926 ILE A CB 1 \nATOM 1792 C CG1 . ILE A 1 234 ? 42.727 19.924 20.400 1.00 48.92 ? 926 ILE A CG1 1 \nATOM 1793 C CG2 . ILE A 1 234 ? 40.399 18.888 20.114 1.00 51.95 ? 926 ILE A CG2 1 \nATOM 1794 C CD1 . ILE A 1 234 ? 42.280 21.255 20.973 1.00 61.81 ? 926 ILE A CD1 1 \nATOM 1795 N N . LEU A 1 235 ? 40.532 17.007 17.520 1.00 37.12 ? 927 LEU A N 1 \nATOM 1796 C CA . LEU A 1 235 ? 39.655 15.893 17.106 1.00 32.43 ? 927 LEU A CA 1 \nATOM 1797 C C . LEU A 1 235 ? 40.412 14.654 16.605 1.00 30.80 ? 927 LEU A C 1 \nATOM 1798 O O . LEU A 1 235 ? 40.043 13.515 16.922 1.00 31.95 ? 927 LEU A O 1 \nATOM 1799 C CB . LEU A 1 235 ? 38.673 16.349 16.012 1.00 30.99 ? 927 LEU A CB 1 \nATOM 1800 C CG . LEU A 1 235 ? 37.709 17.440 16.463 1.00 32.53 ? 927 LEU A CG 1 \nATOM 1801 C CD1 . LEU A 1 235 ? 36.815 17.889 15.312 1.00 33.89 ? 927 LEU A CD1 1 \nATOM 1802 C CD2 . LEU A 1 235 ? 36.891 16.918 17.625 1.00 30.69 ? 927 LEU A CD2 1 \nATOM 1803 N N . GLU A 1 236 ? 41.450 14.888 15.810 1.00 37.01 ? 928 GLU A N 1 \nATOM 1804 C CA . GLU A 1 236 ? 42.284 13.804 15.268 1.00 39.13 ? 928 GLU A CA 1 \nATOM 1805 C C . GLU A 1 236 ? 43.002 13.019 16.360 1.00 41.39 ? 928 GLU A C 1 \nATOM 1806 O O . GLU A 1 236 ? 43.225 11.816 16.209 1.00 38.80 ? 928 GLU A O 1 \nATOM 1807 C CB . GLU A 1 236 ? 43.307 14.339 14.255 1.00 40.49 ? 928 GLU A CB 1 \nATOM 1808 C CG . GLU A 1 236 ? 42.754 14.636 12.870 1.00 44.84 ? 928 GLU A CG 1 \nATOM 1809 C CD . GLU A 1 236 ? 43.660 15.532 12.036 1.00 69.64 ? 928 GLU A CD 1 \nATOM 1810 O OE1 . GLU A 1 236 ? 43.599 15.442 10.790 1.00 74.90 ? 928 GLU A OE1 1 \nATOM 1811 O OE2 . GLU A 1 236 ? 44.432 16.332 12.616 1.00 62.95 ? 928 GLU A OE2 1 \nATOM 1812 N N . LYS A 1 237 ? 43.370 13.694 17.448 1.00 40.90 ? 929 LYS A N 1 \nATOM 1813 C CA . LYS A 1 237 ? 44.002 13.020 18.591 1.00 41.80 ? 929 LYS A CA 1 \nATOM 1814 C C . LYS A 1 237 ? 43.006 12.231 19.453 1.00 46.80 ? 929 LYS A C 1 \nATOM 1815 O O . LYS A 1 237 ? 43.398 11.536 20.394 1.00 44.25 ? 929 LYS A O 1 \nATOM 1816 C CB . LYS A 1 237 ? 44.758 14.025 19.459 1.00 50.08 ? 929 LYS A CB 1 \nATOM 1817 C CG . LYS A 1 237 ? 45.966 14.663 18.770 1.00 40.31 ? 929 LYS A CG 1 \nATOM 1818 C CD . LYS A 1 237 ? 46.644 15.696 19.666 1.00 67.33 ? 929 LYS A CD 1 \nATOM 1819 C CE . LYS A 1 237 ? 47.436 15.043 20.796 1.00 79.96 ? 929 LYS A CE 1 \nATOM 1820 N NZ . LYS A 1 237 ? 48.135 16.035 21.664 1.00 77.70 ? 929 LYS A NZ 1 \nATOM 1821 N N . GLY A 1 238 ? 41.721 12.345 19.125 1.00 37.47 ? 930 GLY A N 1 \nATOM 1822 C CA . GLY A 1 238 ? 40.652 11.633 19.840 1.00 39.43 ? 930 GLY A CA 1 \nATOM 1823 C C . GLY A 1 238 ? 39.970 12.436 20.930 1.00 38.99 ? 930 GLY A C 1 \nATOM 1824 O O . GLY A 1 238 ? 39.110 11.903 21.646 1.00 41.30 ? 930 GLY A O 1 \nATOM 1825 N N . GLU A 1 239 ? 40.330 13.714 21.069 1.00 32.16 ? 931 GLU A N 1 \nATOM 1826 C CA . GLU A 1 239 ? 39.759 14.534 22.132 1.00 32.85 ? 931 GLU A CA 1 \nATOM 1827 C C . GLU A 1 239 ? 38.329 14.954 21.745 1.00 28.27 ? 931 GLU A C 1 \nATOM 1828 O O . GLU A 1 239 ? 38.075 15.227 20.573 1.00 28.77 ? 931 GLU A O 1 \nATOM 1829 C CB . GLU A 1 239 ? 40.603 15.762 22.393 1.00 36.69 ? 931 GLU A CB 1 \nATOM 1830 C CG . GLU A 1 239 ? 40.082 16.662 23.503 1.00 49.53 ? 931 GLU A CG 1 \nATOM 1831 C CD . GLU A 1 239 ? 41.036 17.806 23.818 1.00 69.08 ? 931 GLU A CD 1 \nATOM 1832 O OE1 . GLU A 1 239 ? 42.249 17.685 23.508 1.00 53.32 ? 931 GLU A OE1 1 \nATOM 1833 O OE2 . GLU A 1 239 ? 40.568 18.828 24.374 1.00 53.97 ? 931 GLU A OE2 1 \nATOM 1834 N N . ARG A 1 240 ? 37.436 14.994 22.732 1.00 32.01 ? 932 ARG A N 1 \nATOM 1835 C CA . ARG A 1 240 ? 35.995 15.304 22.490 1.00 28.11 ? 932 ARG A CA 1 \nATOM 1836 C C . ARG A 1 240 ? 35.471 16.272 23.565 1.00 32.94 ? 932 ARG A C 1 \nATOM 1837 O O . ARG A 1 240 ? 36.145 16.500 24.574 1.00 32.49 ? 932 ARG A O 1 \nATOM 1838 C CB . ARG A 1 240 ? 35.184 14.002 22.501 1.00 26.86 ? 932 ARG A CB 1 \nATOM 1839 C CG . ARG A 1 240 ? 35.365 13.048 21.316 1.00 27.27 ? 932 ARG A CG 1 \nATOM 1840 C CD . ARG A 1 240 ? 35.153 13.715 19.958 1.00 27.89 ? 932 ARG A CD 1 \nATOM 1841 N NE . ARG A 1 240 ? 35.303 12.791 18.844 1.00 28.64 ? 932 ARG A NE 1 \nATOM 1842 C CZ . ARG A 1 240 ? 36.449 12.531 18.213 1.00 43.88 ? 932 ARG A CZ 1 \nATOM 1843 N NH1 . ARG A 1 240 ? 36.458 11.657 17.217 1.00 36.00 ? 932 ARG A NH1 1 \nATOM 1844 N NH2 . ARG A 1 240 ? 37.584 13.133 18.580 1.00 28.88 ? 932 ARG A NH2 1 \nATOM 1845 N N . LEU A 1 241 ? 34.284 16.855 23.361 1.00 28.49 ? 933 LEU A N 1 \nATOM 1846 C CA . LEU A 1 241 ? 33.643 17.646 24.416 1.00 26.44 ? 933 LEU A CA 1 \nATOM 1847 C C . LEU A 1 241 ? 33.400 16.752 25.622 1.00 27.19 ? 933 LEU A C 1 \nATOM 1848 O O . LEU A 1 241 ? 33.077 15.575 25.443 1.00 32.58 ? 933 LEU A O 1 \nATOM 1849 C CB . LEU A 1 241 ? 32.311 18.241 23.907 1.00 29.48 ? 933 LEU A CB 1 \nATOM 1850 C CG . LEU A 1 241 ? 32.510 19.274 22.790 1.00 28.80 ? 933 LEU A CG 1 \nATOM 1851 C CD1 . LEU A 1 241 ? 31.191 19.477 22.015 1.00 25.49 ? 933 LEU A CD1 1 \nATOM 1852 C CD2 . LEU A 1 241 ? 33.058 20.587 23.368 1.00 24.54 ? 933 LEU A CD2 1 \nATOM 1853 N N . PRO A 1 242 ? 33.563 17.290 26.848 1.00 29.32 ? 934 PRO A N 1 \nATOM 1854 C CA . PRO A 1 242 ? 33.465 16.519 28.091 1.00 31.42 ? 934 PRO A CA 1 \nATOM 1855 C C . PRO A 1 242 ? 32.034 16.165 28.451 1.00 31.97 ? 934 PRO A C 1 \nATOM 1856 O O . PRO A 1 242 ? 31.093 16.860 28.022 1.00 30.19 ? 934 PRO A O 1 \nATOM 1857 C CB . PRO A 1 242 ? 34.021 17.485 29.144 1.00 39.73 ? 934 PRO A CB 1 \nATOM 1858 C CG . PRO A 1 242 ? 33.717 18.844 28.599 1.00 38.13 ? 934 PRO A CG 1 \nATOM 1859 C CD . PRO A 1 242 ? 33.907 18.703 27.109 1.00 35.28 ? 934 PRO A CD 1 \nATOM 1860 N N . GLN A 1 243 ? 31.885 15.115 29.245 1.00 30.53 ? 935 GLN A N 1 \nATOM 1861 C CA . GLN A 1 243 ? 30.573 14.712 29.766 1.00 29.08 ? 935 GLN A CA 1 \nATOM 1862 C C . GLN A 1 243 ? 29.934 15.848 30.576 1.00 32.66 ? 935 GLN A C 1 \nATOM 1863 O O . GLN A 1 243 ? 30.528 16.340 31.528 1.00 36.94 ? 935 GLN A O 1 \nATOM 1864 C CB . GLN A 1 243 ? 30.703 13.453 30.638 1.00 32.68 ? 935 GLN A CB 1 \nATOM 1865 C CG . GLN A 1 243 ? 29.388 13.003 31.278 1.00 37.61 ? 935 GLN A CG 1 \nATOM 1866 C CD . GLN A 1 243 ? 29.522 11.707 32.068 1.00 41.28 ? 935 GLN A CD 1 \nATOM 1867 O OE1 . GLN A 1 243 ? 30.577 11.088 32.077 1.00 38.24 ? 935 GLN A OE1 1 \nATOM 1868 N NE2 . GLN A 1 243 ? 28.447 11.306 32.755 1.00 34.59 ? 935 GLN A NE2 1 \nATOM 1869 N N . PRO A 1 244 ? 28.713 16.273 30.190 1.00 36.45 ? 936 PRO A N 1 \nATOM 1870 C CA . PRO A 1 244 ? 28.008 17.267 31.005 1.00 39.54 ? 936 PRO A CA 1 \nATOM 1871 C C . PRO A 1 244 ? 27.664 16.677 32.377 1.00 36.69 ? 936 PRO A C 1 \nATOM 1872 O O . PRO A 1 244 ? 27.317 15.497 32.453 1.00 35.68 ? 936 PRO A O 1 \nATOM 1873 C CB . PRO A 1 244 ? 26.741 17.562 30.181 1.00 34.20 ? 936 PRO A CB 1 \nATOM 1874 C CG . PRO A 1 244 ? 27.131 17.223 28.774 1.00 32.85 ? 936 PRO A CG 1 \nATOM 1875 C CD . PRO A 1 244 ? 27.993 15.990 28.938 1.00 36.06 ? 936 PRO A CD 1 \nATOM 1876 N N . PRO A 1 245 ? 27.830 17.472 33.457 1.00 38.32 ? 937 PRO A N 1 \nATOM 1877 C CA . PRO A 1 245 ? 27.599 17.015 34.833 1.00 40.21 ? 937 PRO A CA 1 \nATOM 1878 C C . PRO A 1 245 ? 26.233 16.386 35.062 1.00 40.46 ? 937 PRO A C 1 \nATOM 1879 O O . PRO A 1 245 ? 26.126 15.433 35.842 1.00 37.59 ? 937 PRO A O 1 \nATOM 1880 C CB . PRO A 1 245 ? 27.741 18.296 35.655 1.00 46.41 ? 937 PRO A CB 1 \nATOM 1881 C CG . PRO A 1 245 ? 28.715 19.118 34.886 1.00 46.70 ? 937 PRO A CG 1 \nATOM 1882 C CD . PRO A 1 245 ? 28.506 18.788 33.426 1.00 39.47 ? 937 PRO A CD 1 \nATOM 1883 N N . ILE A 1 246 ? 25.204 16.876 34.374 1.00 34.10 ? 938 ILE A N 1 \nATOM 1884 C CA . ILE A 1 246 ? 23.855 16.329 34.558 1.00 37.91 ? 938 ILE A CA 1 \nATOM 1885 C C . ILE A 1 246 ? 23.631 14.986 33.839 1.00 37.49 ? 938 ILE A C 1 \nATOM 1886 O O . ILE A 1 246 ? 22.660 14.289 34.126 1.00 41.11 ? 938 ILE A O 1 \nATOM 1887 C CB . ILE A 1 246 ? 22.731 17.329 34.163 1.00 33.35 ? 938 ILE A CB 1 \nATOM 1888 C CG1 . ILE A 1 246 ? 22.714 17.586 32.640 1.00 35.59 ? 938 ILE A CG1 1 \nATOM 1889 C CG2 . ILE A 1 246 ? 22.828 18.633 34.966 1.00 36.27 ? 938 ILE A CG2 1 \nATOM 1890 C CD1 . ILE A 1 246 ? 21.420 18.224 32.136 1.00 34.32 ? 938 ILE A CD1 1 \nATOM 1891 N N . CYS A 1 247 ? 24.516 14.620 32.915 1.00 34.04 ? 939 CYS A N 1 \nATOM 1892 C CA . CYS A 1 247 ? 24.244 13.437 32.081 1.00 31.20 ? 939 CYS A CA 1 \nATOM 1893 C C . CYS A 1 247 ? 24.743 12.159 32.706 1.00 36.53 ? 939 CYS A C 1 \nATOM 1894 O O . CYS A 1 247 ? 25.908 12.071 33.106 1.00 31.88 ? 939 CYS A O 1 \nATOM 1895 C CB . CYS A 1 247 ? 24.905 13.551 30.709 1.00 32.11 ? 939 CYS A CB 1 \nATOM 1896 S SG . CYS A 1 247 ? 24.327 14.888 29.665 1.00 37.25 ? 939 CYS A SG 1 \nATOM 1897 N N . THR A 1 248 ? 23.891 11.141 32.747 1.00 32.45 ? 940 THR A N 1 \nATOM 1898 C CA . THR A 1 248 ? 24.426 9.802 32.980 1.00 35.97 ? 940 THR A CA 1 \nATOM 1899 C C . THR A 1 248 ? 25.287 9.401 31.793 1.00 34.97 ? 940 THR A C 1 \nATOM 1900 O O . THR A 1 248 ? 25.203 10.005 30.717 1.00 33.70 ? 940 THR A O 1 \nATOM 1901 C CB . THR A 1 248 ? 23.305 8.757 33.128 1.00 35.72 ? 940 THR A CB 1 \nATOM 1902 O OG1 . THR A 1 248 ? 22.500 8.763 31.945 1.00 39.68 ? 940 THR A OG1 1 \nATOM 1903 C CG2 . THR A 1 248 ? 22.449 9.071 34.363 1.00 40.81 ? 940 THR A CG2 1 \nATOM 1904 N N . ILE A 1 249 ? 26.085 8.351 31.966 1.00 33.98 ? 941 ILE A N 1 \nATOM 1905 C CA . ILE A 1 249 ? 26.923 7.835 30.883 1.00 36.66 ? 941 ILE A CA 1 \nATOM 1906 C C . ILE A 1 249 ? 26.138 7.370 29.646 1.00 29.75 ? 941 ILE A C 1 \nATOM 1907 O O . ILE A 1 249 ? 26.623 7.493 28.531 1.00 33.08 ? 941 ILE A O 1 \nATOM 1908 C CB . ILE A 1 249 ? 27.930 6.758 31.391 1.00 41.29 ? 941 ILE A CB 1 \nATOM 1909 C CG1 . ILE A 1 249 ? 29.080 6.560 30.399 1.00 41.07 ? 941 ILE A CG1 1 \nATOM 1910 C CG2 . ILE A 1 249 ? 27.233 5.445 31.720 1.00 36.91 ? 941 ILE A CG2 1 \nATOM 1911 C CD1 . ILE A 1 249 ? 30.126 7.650 30.441 1.00 44.87 ? 941 ILE A CD1 1 \nATOM 1912 N N . ASP A 1 250 ? 24.925 6.850 29.840 1.00 35.62 ? 942 ASP A N 1 \nATOM 1913 C CA . ASP A 1 250 ? 24.058 6.438 28.727 1.00 35.94 ? 942 ASP A CA 1 \nATOM 1914 C C . ASP A 1 250 ? 23.799 7.600 27.757 1.00 33.14 ? 942 ASP A C 1 \nATOM 1915 O O . ASP A 1 250 ? 23.804 7.423 26.529 1.00 31.94 ? 942 ASP A O 1 \nATOM 1916 C CB . ASP A 1 250 ? 22.716 5.941 29.274 1.00 34.61 ? 942 ASP A CB 1 \nATOM 1917 C CG . ASP A 1 250 ? 22.882 4.975 30.427 1.00 57.33 ? 942 ASP A CG 1 \nATOM 1918 O OD1 . ASP A 1 250 ? 22.854 3.759 30.156 1.00 55.48 ? 942 ASP A OD1 1 \nATOM 1919 O OD2 . ASP A 1 250 ? 23.075 5.431 31.589 1.00 61.31 ? 942 ASP A OD2 1 \nATOM 1920 N N . VAL A 1 251 ? 23.575 8.782 28.316 1.00 31.75 ? 943 VAL A N 1 \nATOM 1921 C CA . VAL A 1 251 ? 23.296 9.965 27.488 1.00 32.99 ? 943 VAL A CA 1 \nATOM 1922 C C . VAL A 1 251 ? 24.574 10.469 26.835 1.00 32.91 ? 943 VAL A C 1 \nATOM 1923 O O . VAL A 1 251 ? 24.594 10.757 25.638 1.00 30.24 ? 943 VAL A O 1 \nATOM 1924 C CB . VAL A 1 251 ? 22.603 11.095 28.278 1.00 38.37 ? 943 VAL A CB 1 \nATOM 1925 C CG1 . VAL A 1 251 ? 22.510 12.373 27.438 1.00 34.73 ? 943 VAL A CG1 1 \nATOM 1926 C CG2 . VAL A 1 251 ? 21.217 10.649 28.705 1.00 36.83 ? 943 VAL A CG2 1 \nATOM 1927 N N . TYR A 1 252 ? 25.647 10.557 27.612 1.00 32.14 ? 944 TYR A N 1 \nATOM 1928 C CA . TYR A 1 252 ? 26.927 10.980 27.042 1.00 31.45 ? 944 TYR A CA 1 \nATOM 1929 C C . TYR A 1 252 ? 27.404 10.020 25.942 1.00 29.66 ? 944 TYR A C 1 \nATOM 1930 O O . TYR A 1 252 ? 27.973 10.463 24.949 1.00 30.29 ? 944 TYR A O 1 \nATOM 1931 C CB . TYR A 1 252 ? 27.964 11.172 28.146 1.00 31.25 ? 944 TYR A CB 1 \nATOM 1932 C CG . TYR A 1 252 ? 29.292 11.716 27.677 1.00 33.16 ? 944 TYR A CG 1 \nATOM 1933 C CD1 . TYR A 1 252 ? 30.480 11.078 28.026 1.00 38.27 ? 944 TYR A CD1 1 \nATOM 1934 C CD2 . TYR A 1 252 ? 29.363 12.874 26.876 1.00 30.07 ? 944 TYR A CD2 1 \nATOM 1935 C CE1 . TYR A 1 252 ? 31.701 11.576 27.611 1.00 34.59 ? 944 TYR A CE1 1 \nATOM 1936 C CE2 . TYR A 1 252 ? 30.586 13.381 26.456 1.00 30.25 ? 944 TYR A CE2 1 \nATOM 1937 C CZ . TYR A 1 252 ? 31.740 12.734 26.829 1.00 33.30 ? 944 TYR A CZ 1 \nATOM 1938 O OH . TYR A 1 252 ? 32.946 13.214 26.403 1.00 32.21 ? 944 TYR A OH 1 \nATOM 1939 N N . MET A 1 253 ? 27.179 8.710 26.113 1.00 28.39 ? 945 MET A N 1 \nATOM 1940 C CA . MET A 1 253 ? 27.573 7.751 25.079 1.00 31.97 ? 945 MET A CA 1 \nATOM 1941 C C . MET A 1 253 ? 26.931 8.061 23.738 1.00 36.65 ? 945 MET A C 1 \nATOM 1942 O O . MET A 1 253 ? 27.522 7.845 22.690 1.00 28.47 ? 945 MET A O 1 \nATOM 1943 C CB . MET A 1 253 ? 27.202 6.316 25.454 1.00 38.25 ? 945 MET A CB 1 \nATOM 1944 C CG . MET A 1 253 ? 28.192 5.594 26.346 1.00 55.75 ? 945 MET A CG 1 \nATOM 1945 S SD . MET A 1 253 ? 29.792 5.350 25.555 1.00 67.50 ? 945 MET A SD 1 \nATOM 1946 C CE . MET A 1 253 ? 30.653 6.763 26.204 1.00 33.80 ? 945 MET A CE 1 \nATOM 1947 N N . ILE A 1 254 ? 25.689 8.529 23.763 1.00 30.37 ? 946 ILE A N 1 \nATOM 1948 C CA . ILE A 1 254 ? 25.062 8.912 22.527 1.00 31.60 ? 946 ILE A CA 1 \nATOM 1949 C C . ILE A 1 254 ? 25.826 10.040 21.849 1.00 24.60 ? 946 ILE A C 1 \nATOM 1950 O O . ILE A 1 254 ? 26.081 9.958 20.654 1.00 26.88 ? 946 ILE A O 1 \nATOM 1951 C CB . ILE A 1 254 ? 23.604 9.359 22.747 1.00 34.97 ? 946 ILE A CB 1 \nATOM 1952 C CG1 . ILE A 1 254 ? 22.796 8.227 23.371 1.00 41.69 ? 946 ILE A CG1 1 \nATOM 1953 C CG2 . ILE A 1 254 ? 22.984 9.808 21.430 1.00 36.80 ? 946 ILE A CG2 1 \nATOM 1954 C CD1 . ILE A 1 254 ? 21.374 8.639 23.700 1.00 41.79 ? 946 ILE A CD1 1 \nATOM 1955 N N . MET A 1 255 ? 26.132 11.097 22.606 1.00 24.86 ? 947 MET A N 1 \nATOM 1956 C CA . MET A 1 255 ? 26.870 12.239 22.100 1.00 30.27 ? 947 MET A CA 1 \nATOM 1957 C C . MET A 1 255 ? 28.209 11.750 21.532 1.00 28.44 ? 947 MET A C 1 \nATOM 1958 O O . MET A 1 255 ? 28.639 12.157 20.443 1.00 29.20 ? 947 MET A O 1 \nATOM 1959 C CB . MET A 1 255 ? 27.147 13.237 23.233 1.00 31.12 ? 947 MET A CB 1 \nATOM 1960 C CG . MET A 1 255 ? 26.092 14.323 23.437 1.00 37.09 ? 947 MET A CG 1 \nATOM 1961 S SD . MET A 1 255 ? 26.416 15.215 24.976 1.00 41.55 ? 947 MET A SD 1 \nATOM 1962 C CE . MET A 1 255 ? 25.321 14.328 26.057 1.00 38.59 ? 947 MET A CE 1 \nATOM 1963 N N . VAL A 1 256 ? 28.856 10.867 22.284 1.00 27.85 ? 948 VAL A N 1 \nATOM 1964 C CA . VAL A 1 256 ? 30.157 10.315 21.867 1.00 28.13 ? 948 VAL A CA 1 \nATOM 1965 C C . VAL A 1 256 ? 30.089 9.557 20.548 1.00 25.79 ? 948 VAL A C 1 \nATOM 1966 O O . VAL A 1 256 ? 30.941 9.740 19.686 1.00 26.90 ? 948 VAL A O 1 \nATOM 1967 C CB . VAL A 1 256 ? 30.817 9.463 22.997 1.00 35.26 ? 948 VAL A CB 1 \nATOM 1968 C CG1 . VAL A 1 256 ? 32.037 8.701 22.473 1.00 32.02 ? 948 VAL A CG1 1 \nATOM 1969 C CG2 . VAL A 1 256 ? 31.236 10.376 24.148 1.00 32.56 ? 948 VAL A CG2 1 \nATOM 1970 N N . LYS A 1 257 ? 29.031 8.755 20.361 1.00 27.83 ? 949 LYS A N 1 \nATOM 1971 C CA . LYS A 1 257 ? 28.774 8.081 19.101 1.00 27.08 ? 949 LYS A CA 1 \nATOM 1972 C C . LYS A 1 257 ? 28.585 9.047 17.933 1.00 25.07 ? 949 LYS A C 1 \nATOM 1973 O O . LYS A 1 257 ? 29.025 8.744 16.823 1.00 24.22 ? 949 LYS A O 1 \nATOM 1974 C CB . LYS A 1 257 ? 27.539 7.151 19.198 1.00 30.67 ? 949 LYS A CB 1 \nATOM 1975 C CG . LYS A 1 257 ? 27.699 5.954 20.116 1.00 50.64 ? 949 LYS A CG 1 \nATOM 1976 C CD . LYS A 1 257 ? 26.468 5.062 20.040 1.00 51.67 ? 949 LYS A CD 1 \nATOM 1977 C CE . LYS A 1 257 ? 26.423 4.044 21.167 1.00 82.77 ? 949 LYS A CE 1 \nATOM 1978 N NZ . LYS A 1 257 ? 25.147 3.272 21.132 1.00 91.62 ? 949 LYS A NZ 1 \nATOM 1979 N N . CYS A 1 258 ? 27.916 10.191 18.177 1.00 25.41 ? 950 CYS A N 1 \nATOM 1980 C CA . CYS A 1 258 ? 27.705 11.180 17.129 1.00 19.95 ? 950 CYS A CA 1 \nATOM 1981 C C . CYS A 1 258 ? 29.041 11.770 16.638 1.00 23.74 ? 950 CYS A C 1 \nATOM 1982 O O . CYS A 1 258 ? 29.101 12.339 15.565 1.00 25.93 ? 950 CYS A O 1 \nATOM 1983 C CB . CYS A 1 258 ? 26.879 12.333 17.670 1.00 19.18 ? 950 CYS A CB 1 \nATOM 1984 S SG . CYS A 1 258 ? 25.132 11.865 17.902 1.00 27.36 ? 950 CYS A SG 1 \nATOM 1985 N N . TRP A 1 259 ? 30.088 11.654 17.440 1.00 26.52 ? 951 TRP A N 1 \nATOM 1986 C CA . TRP A 1 259 ? 31.397 12.217 17.056 1.00 25.40 ? 951 TRP A CA 1 \nATOM 1987 C C . TRP A 1 259 ? 32.490 11.223 16.667 1.00 26.10 ? 951 TRP A C 1 \nATOM 1988 O O . TRP A 1 259 ? 33.711 11.543 16.678 1.00 28.21 ? 951 TRP A O 1 \nATOM 1989 C CB . TRP A 1 259 ? 31.924 13.148 18.145 1.00 29.36 ? 951 TRP A CB 1 \nATOM 1990 C CG . TRP A 1 259 ? 30.945 14.182 18.676 1.00 26.70 ? 951 TRP A CG 1 \nATOM 1991 C CD1 . TRP A 1 259 ? 30.089 14.983 17.956 1.00 24.99 ? 951 TRP A CD1 1 \nATOM 1992 C CD2 . TRP A 1 259 ? 30.788 14.550 20.045 1.00 27.29 ? 951 TRP A CD2 1 \nATOM 1993 N NE1 . TRP A 1 259 ? 29.440 15.834 18.802 1.00 24.81 ? 951 TRP A NE1 1 \nATOM 1994 C CE2 . TRP A 1 259 ? 29.813 15.567 20.092 1.00 28.56 ? 951 TRP A CE2 1 \nATOM 1995 C CE3 . TRP A 1 259 ? 31.365 14.099 21.250 1.00 21.85 ? 951 TRP A CE3 1 \nATOM 1996 C CZ2 . TRP A 1 259 ? 29.396 16.145 21.294 1.00 29.28 ? 951 TRP A CZ2 1 \nATOM 1997 C CZ3 . TRP A 1 259 ? 30.964 14.656 22.427 1.00 26.79 ? 951 TRP A CZ3 1 \nATOM 1998 C CH2 . TRP A 1 259 ? 29.962 15.679 22.449 1.00 25.12 ? 951 TRP A CH2 1 \nATOM 1999 N N . MET A 1 260 ? 32.068 10.028 16.295 1.00 28.04 ? 952 MET A N 1 \nATOM 2000 C CA . MET A 1 260 ? 32.971 9.031 15.724 1.00 31.49 ? 952 MET A CA 1 \nATOM 2001 C C . MET A 1 260 ? 33.558 9.485 14.406 1.00 31.35 ? 952 MET A C 1 \nATOM 2002 O O . MET A 1 260 ? 32.898 10.092 13.574 1.00 22.79 ? 952 MET A O 1 \nATOM 2003 C CB . MET A 1 260 ? 32.235 7.699 15.549 1.00 29.84 ? 952 MET A CB 1 \nATOM 2004 C CG . MET A 1 260 ? 31.955 7.055 16.881 1.00 35.69 ? 952 MET A CG 1 \nATOM 2005 S SD . MET A 1 260 ? 31.264 5.418 16.645 1.00 50.21 ? 952 MET A SD 1 \nATOM 2006 C CE . MET A 1 260 ? 29.532 5.748 16.482 1.00 49.56 ? 952 MET A CE 1 \nATOM 2007 N N . ILE A 1 261 ? 34.849 9.215 14.207 1.00 26.28 ? 953 ILE A N 1 \nATOM 2008 C CA . ILE A 1 261 ? 35.477 9.572 12.945 1.00 26.84 ? 953 ILE A CA 1 \nATOM 2009 C C . ILE A 1 261 ? 34.795 8.949 11.721 1.00 26.04 ? 953 ILE A C 1 \nATOM 2010 O O . ILE A 1 261 ? 34.618 9.606 10.661 1.00 27.41 ? 953 ILE A O 1 \nATOM 2011 C CB . ILE A 1 261 ? 37.008 9.189 13.002 1.00 27.73 ? 953 ILE A CB 1 \nATOM 2012 C CG1 . ILE A 1 261 ? 37.730 10.036 14.057 1.00 41.78 ? 953 ILE A CG1 1 \nATOM 2013 C CG2 . ILE A 1 261 ? 37.658 9.347 11.637 1.00 34.33 ? 953 ILE A CG2 1 \nATOM 2014 C CD1 . ILE A 1 261 ? 37.358 11.509 14.059 1.00 44.58 ? 953 ILE A CD1 1 \nATOM 2015 N N . ASP A 1 262 ? 34.376 7.696 11.878 1.00 29.16 ? 954 ASP A N 1 \nATOM 2016 C CA . ASP A 1 262 ? 33.643 6.975 10.837 1.00 25.74 ? 954 ASP A CA 1 \nATOM 2017 C C . ASP A 1 262 ? 32.196 7.450 10.801 1.00 28.20 ? 954 ASP A C 1 \nATOM 2018 O O . ASP A 1 262 ? 31.405 7.040 11.644 1.00 28.96 ? 954 ASP A O 1 \nATOM 2019 C CB . ASP A 1 262 ? 33.681 5.473 11.100 1.00 29.26 ? 954 ASP A CB 1 \nATOM 2020 C CG . ASP A 1 262 ? 32.932 4.663 10.055 1.00 44.06 ? 954 ASP A CG 1 \nATOM 2021 O OD1 . ASP A 1 262 ? 32.812 3.447 10.275 1.00 41.62 ? 954 ASP A OD1 1 \nATOM 2022 O OD2 . ASP A 1 262 ? 32.448 5.217 9.035 1.00 48.86 ? 954 ASP A OD2 1 \nATOM 2023 N N . ALA A 1 263 ? 31.874 8.302 9.828 1.00 23.94 ? 955 ALA A N 1 \nATOM 2024 C CA . ALA A 1 263 ? 30.497 8.895 9.752 1.00 27.43 ? 955 ALA A CA 1 \nATOM 2025 C C . ALA A 1 263 ? 29.398 7.840 9.609 1.00 26.35 ? 955 ALA A C 1 \nATOM 2026 O O . ALA A 1 263 ? 28.243 8.053 10.075 1.00 28.83 ? 955 ALA A O 1 \nATOM 2027 C CB . ALA A 1 263 ? 30.425 9.862 8.584 1.00 28.45 ? 955 ALA A CB 1 \nATOM 2028 N N . ASP A 1 264 ? 29.709 6.752 8.874 1.00 26.69 ? 956 ASP A N 1 \nATOM 2029 C CA . ASP A 1 264 ? 28.798 5.640 8.673 1.00 35.35 ? 956 ASP A CA 1 \nATOM 2030 C C . ASP A 1 264 ? 28.457 4.912 9.979 1.00 40.99 ? 956 ASP A C 1 \nATOM 2031 O O . ASP A 1 264 ? 27.404 4.282 10.089 1.00 37.36 ? 956 ASP A O 1 \nATOM 2032 C CB . ASP A 1 264 ? 29.334 4.636 7.633 1.00 32.05 ? 956 ASP A CB 1 \nATOM 2033 C CG . ASP A 1 264 ? 29.294 5.172 6.206 1.00 36.02 ? 956 ASP A CG 1 \nATOM 2034 O OD1 . ASP A 1 264 ? 28.299 5.828 5.811 1.00 35.49 ? 956 ASP A OD1 1 \nATOM 2035 O OD2 . ASP A 1 264 ? 30.257 4.924 5.444 1.00 34.40 ? 956 ASP A OD2 1 \nATOM 2036 N N . SER A 1 265 ? 29.350 4.987 10.957 1.00 27.19 ? 957 SER A N 1 \nATOM 2037 C CA . SER A 1 265 ? 29.096 4.376 12.282 1.00 33.80 ? 957 SER A CA 1 \nATOM 2038 C C . SER A 1 265 ? 28.258 5.210 13.267 1.00 30.15 ? 957 SER A C 1 \nATOM 2039 O O . SER A 1 265 ? 27.822 4.689 14.294 1.00 29.39 ? 957 SER A O 1 \nATOM 2040 C CB . SER A 1 265 ? 30.420 3.971 12.943 1.00 38.98 ? 957 SER A CB 1 \nATOM 2041 O OG . SER A 1 265 ? 30.965 2.841 12.272 1.00 49.31 ? 957 SER A OG 1 \nATOM 2042 N N . ARG A 1 266 ? 28.104 6.507 12.989 1.00 24.60 ? 958 ARG A N 1 \nATOM 2043 C CA . ARG A 1 266 ? 27.427 7.421 13.874 1.00 22.34 ? 958 ARG A CA 1 \nATOM 2044 C C . ARG A 1 266 ? 25.958 6.978 13.823 1.00 26.19 ? 958 ARG A C 1 \nATOM 2045 O O . ARG A 1 266 ? 25.567 6.399 12.818 1.00 29.89 ? 958 ARG A O 1 \nATOM 2046 C CB . ARG A 1 266 ? 27.487 8.840 13.320 1.00 22.29 ? 958 ARG A CB 1 \nATOM 2047 C CG . ARG A 1 266 ? 28.877 9.471 13.416 1.00 26.42 ? 958 ARG A CG 1 \nATOM 2048 C CD . ARG A 1 266 ? 28.968 10.829 12.731 1.00 21.30 ? 958 ARG A CD 1 \nATOM 2049 N NE . ARG A 1 266 ? 30.421 11.064 12.508 1.00 23.89 ? 958 ARG A NE 1 \nATOM 2050 C CZ . ARG A 1 266 ? 30.895 11.848 11.556 1.00 24.19 ? 958 ARG A CZ 1 \nATOM 2051 N NH1 . ARG A 1 266 ? 32.214 11.950 11.405 1.00 25.65 ? 958 ARG A NH1 1 \nATOM 2052 N NH2 . ARG A 1 266 ? 30.062 12.523 10.754 1.00 24.53 ? 958 ARG A NH2 1 \nATOM 2053 N N . PRO A 1 267 ? 25.180 7.292 14.873 1.00 25.41 ? 959 PRO A N 1 \nATOM 2054 C CA . PRO A 1 267 ? 23.727 6.979 14.901 1.00 29.19 ? 959 PRO A CA 1 \nATOM 2055 C C . PRO A 1 267 ? 23.027 7.670 13.743 1.00 29.90 ? 959 PRO A C 1 \nATOM 2056 O O . PRO A 1 267 ? 23.515 8.685 13.220 1.00 29.85 ? 959 PRO A O 1 \nATOM 2057 C CB . PRO A 1 267 ? 23.253 7.611 16.218 1.00 27.16 ? 959 PRO A CB 1 \nATOM 2058 C CG . PRO A 1 267 ? 24.496 7.779 17.044 1.00 33.36 ? 959 PRO A CG 1 \nATOM 2059 C CD . PRO A 1 267 ? 25.558 8.113 16.031 1.00 25.57 ? 959 PRO A CD 1 \nATOM 2060 N N . LYS A 1 268 ? 21.865 7.156 13.352 1.00 29.28 ? 960 LYS A N 1 \nATOM 2061 C CA . LYS A 1 268 ? 21.033 7.865 12.390 1.00 30.63 ? 960 LYS A CA 1 \nATOM 2062 C C . LYS A 1 268 ? 19.933 8.641 13.110 1.00 31.70 ? 960 LYS A C 1 \nATOM 2063 O O . LYS A 1 268 ? 19.543 8.314 14.221 1.00 28.52 ? 960 LYS A O 1 \nATOM 2064 C CB . LYS A 1 268 ? 20.365 6.870 11.429 1.00 32.29 ? 960 LYS A CB 1 \nATOM 2065 C CG . LYS A 1 268 ? 21.313 5.899 10.741 1.00 36.44 ? 960 LYS A CG 1 \nATOM 2066 C CD . LYS A 1 268 ? 22.209 6.612 9.746 1.00 37.47 ? 960 LYS A CD 1 \nATOM 2067 C CE . LYS A 1 268 ? 23.462 5.782 9.499 1.00 48.14 ? 960 LYS A CE 1 \nATOM 2068 N NZ . LYS A 1 268 ? 23.127 4.504 8.814 1.00 57.44 ? 960 LYS A NZ 1 \nATOM 2069 N N . PHE A 1 269 ? 19.394 9.652 12.456 1.00 24.91 ? 961 PHE A N 1 \nATOM 2070 C CA . PHE A 1 269 ? 18.433 10.468 13.137 1.00 26.97 ? 961 PHE A CA 1 \nATOM 2071 C C . PHE A 1 269 ? 17.237 9.612 13.525 1.00 22.48 ? 961 PHE A C 1 \nATOM 2072 O O . PHE A 1 269 ? 16.689 9.800 14.595 1.00 26.85 ? 961 PHE A O 1 \nATOM 2073 C CB . PHE A 1 269 ? 18.014 11.643 12.277 1.00 33.43 ? 961 PHE A CB 1 \nATOM 2074 C CG . PHE A 1 269 ? 19.026 12.743 12.274 1.00 24.90 ? 961 PHE A CG 1 \nATOM 2075 C CD1 . PHE A 1 269 ? 19.358 13.369 13.466 1.00 23.94 ? 961 PHE A CD1 1 \nATOM 2076 C CD2 . PHE A 1 269 ? 19.630 13.143 11.093 1.00 24.13 ? 961 PHE A CD2 1 \nATOM 2077 C CE1 . PHE A 1 269 ? 20.352 14.358 13.498 1.00 26.04 ? 961 PHE A CE1 1 \nATOM 2078 C CE2 . PHE A 1 269 ? 20.554 14.165 11.109 1.00 27.17 ? 961 PHE A CE2 1 \nATOM 2079 C CZ . PHE A 1 269 ? 20.904 14.778 12.306 1.00 25.42 ? 961 PHE A CZ 1 \nATOM 2080 N N . ARG A 1 270 ? 16.913 8.620 12.705 1.00 24.16 ? 962 ARG A N 1 \nATOM 2081 C CA . ARG A 1 270 ? 15.698 7.803 12.997 1.00 32.45 ? 962 ARG A CA 1 \nATOM 2082 C C . ARG A 1 270 ? 15.979 7.043 14.307 1.00 35.66 ? 962 ARG A C 1 \nATOM 2083 O O . ARG A 1 270 ? 15.109 6.916 15.173 1.00 34.39 ? 962 ARG A O 1 \nATOM 2084 C CB . ARG A 1 270 ? 15.393 6.848 11.821 1.00 36.50 ? 962 ARG A CB 1 \nATOM 2085 C CG . ARG A 1 270 ? 16.445 5.762 11.594 1.00 48.32 ? 962 ARG A CG 1 \nATOM 2086 C CD . ARG A 1 270 ? 16.647 5.384 10.127 1.00 72.54 ? 962 ARG A CD 1 \nATOM 2087 N NE . ARG A 1 270 ? 17.491 6.337 9.388 1.00 61.27 ? 962 ARG A NE 1 \nATOM 2088 C CZ . ARG A 1 270 ? 18.232 6.030 8.322 1.00 64.43 ? 962 ARG A CZ 1 \nATOM 2089 N NH1 . ARG A 1 270 ? 18.264 4.780 7.865 1.00 77.99 ? 962 ARG A NH1 1 \nATOM 2090 N NH2 . ARG A 1 270 ? 18.964 6.968 7.716 1.00 54.18 ? 962 ARG A NH2 1 \nATOM 2091 N N . GLU A 1 271 ? 17.232 6.598 14.462 1.00 30.85 ? 963 GLU A N 1 \nATOM 2092 C CA . GLU A 1 271 ? 17.713 5.932 15.695 1.00 32.05 ? 963 GLU A CA 1 \nATOM 2093 C C . GLU A 1 271 ? 17.723 6.833 16.937 1.00 31.45 ? 963 GLU A C 1 \nATOM 2094 O O . GLU A 1 271 ? 17.424 6.388 18.040 1.00 29.54 ? 963 GLU A O 1 \nATOM 2095 C CB . GLU A 1 271 ? 19.123 5.344 15.466 1.00 37.66 ? 963 GLU A CB 1 \nATOM 2096 C CG . GLU A 1 271 ? 19.140 4.191 14.463 1.00 39.70 ? 963 GLU A CG 1 \nATOM 2097 C CD . GLU A 1 271 ? 20.539 3.774 14.022 1.00 60.45 ? 963 GLU A CD 1 \nATOM 2098 O OE1 . GLU A 1 271 ? 20.644 2.752 13.313 1.00 56.23 ? 963 GLU A OE1 1 \nATOM 2099 O OE2 . GLU A 1 271 ? 21.533 4.453 14.369 1.00 41.38 ? 963 GLU A OE2 1 \nATOM 2100 N N . LEU A 1 272 ? 18.100 8.096 16.762 1.00 25.31 ? 964 LEU A N 1 \nATOM 2101 C CA . LEU A 1 272 ? 18.184 9.032 17.859 1.00 26.32 ? 964 LEU A CA 1 \nATOM 2102 C C . LEU A 1 272 ? 16.778 9.424 18.328 1.00 26.13 ? 964 LEU A C 1 \nATOM 2103 O O . LEU A 1 272 ? 16.542 9.584 19.516 1.00 28.65 ? 964 LEU A O 1 \nATOM 2104 C CB . LEU A 1 272 ? 18.960 10.264 17.395 1.00 25.89 ? 964 LEU A CB 1 \nATOM 2105 C CG . LEU A 1 272 ? 20.460 10.072 17.111 1.00 28.60 ? 964 LEU A CG 1 \nATOM 2106 C CD1 . LEU A 1 272 ? 20.942 11.251 16.261 1.00 28.66 ? 964 LEU A CD1 1 \nATOM 2107 C CD2 . LEU A 1 272 ? 21.206 9.996 18.428 1.00 27.47 ? 964 LEU A CD2 1 \nATOM 2108 N N . ILE A 1 273 ? 15.848 9.508 17.390 1.00 28.34 ? 965 ILE A N 1 \nATOM 2109 C CA . ILE A 1 273 ? 14.435 9.745 17.762 1.00 26.46 ? 965 ILE A CA 1 \nATOM 2110 C C . ILE A 1 273 ? 13.987 8.624 18.726 1.00 30.61 ? 965 ILE A C 1 \nATOM 2111 O O . ILE A 1 273 ? 13.446 8.890 19.807 1.00 35.75 ? 965 ILE A O 1 \nATOM 2112 C CB . ILE A 1 273 ? 13.507 9.775 16.531 1.00 25.40 ? 965 ILE A CB 1 \nATOM 2113 C CG1 . ILE A 1 273 ? 13.784 10.979 15.618 1.00 25.97 ? 965 ILE A CG1 1 \nATOM 2114 C CG2 . ILE A 1 273 ? 12.032 9.811 17.000 1.00 25.35 ? 965 ILE A CG2 1 \nATOM 2115 C CD1 . ILE A 1 273 ? 13.176 10.873 14.232 1.00 30.34 ? 965 ILE A CD1 1 \nATOM 2116 N N . ILE A 1 274 ? 14.233 7.375 18.338 1.00 29.68 ? 966 ILE A N 1 \nATOM 2117 C CA . ILE A 1 274 ? 13.841 6.221 19.176 1.00 33.21 ? 966 ILE A CA 1 \nATOM 2118 C C . ILE A 1 274 ? 14.534 6.232 20.529 1.00 36.70 ? 966 ILE A C 1 \nATOM 2119 O O . ILE A 1 274 ? 13.885 6.070 21.549 1.00 31.29 ? 966 ILE A O 1 \nATOM 2120 C CB . ILE A 1 274 ? 14.066 4.878 18.435 1.00 37.90 ? 966 ILE A CB 1 \nATOM 2121 C CG1 . ILE A 1 274 ? 13.175 4.837 17.184 1.00 35.13 ? 966 ILE A CG1 1 \nATOM 2122 C CG2 . ILE A 1 274 ? 13.825 3.690 19.359 1.00 38.22 ? 966 ILE A CG2 1 \nATOM 2123 C CD1 . ILE A 1 274 ? 13.473 3.718 16.211 1.00 39.64 ? 966 ILE A CD1 1 \nATOM 2124 N N . GLU A 1 275 ? 15.857 6.436 20.546 1.00 29.87 ? 967 GLU A N 1 \nATOM 2125 C CA . GLU A 1 275 ? 16.596 6.395 21.799 1.00 30.45 ? 967 GLU A CA 1 \nATOM 2126 C C . GLU A 1 275 ? 16.229 7.514 22.744 1.00 27.32 ? 967 GLU A C 1 \nATOM 2127 O O . GLU A 1 275 ? 16.050 7.279 23.938 1.00 31.31 ? 967 GLU A O 1 \nATOM 2128 C CB . GLU A 1 275 ? 18.118 6.417 21.550 1.00 29.82 ? 967 GLU A CB 1 \nATOM 2129 C CG . GLU A 1 275 ? 18.888 6.111 22.833 1.00 41.91 ? 967 GLU A CG 1 \nATOM 2130 C CD . GLU A 1 275 ? 20.220 5.413 22.612 1.00 67.96 ? 967 GLU A CD 1 \nATOM 2131 O OE1 . GLU A 1 275 ? 20.706 5.384 21.459 1.00 72.73 ? 967 GLU A OE1 1 \nATOM 2132 O OE2 . GLU A 1 275 ? 20.787 4.895 23.605 1.00 71.12 ? 967 GLU A OE2 1 \nATOM 2133 N N . PHE A 1 276 ? 16.157 8.746 22.244 1.00 25.09 ? 968 PHE A N 1 \nATOM 2134 C CA . PHE A 1 276 ? 15.799 9.825 23.118 1.00 24.70 ? 968 PHE A CA 1 \nATOM 2135 C C . PHE A 1 276 ? 14.334 9.732 23.526 1.00 27.77 ? 968 PHE A C 1 \nATOM 2136 O O . PHE A 1 276 ? 13.984 10.202 24.602 1.00 33.79 ? 968 PHE A O 1 \nATOM 2137 C CB . PHE A 1 276 ? 16.098 11.200 22.519 1.00 29.04 ? 968 PHE A CB 1 \nATOM 2138 C CG . PHE A 1 276 ? 17.534 11.615 22.687 1.00 26.08 ? 968 PHE A CG 1 \nATOM 2139 C CD1 . PHE A 1 276 ? 17.986 12.107 23.923 1.00 28.02 ? 968 PHE A CD1 1 \nATOM 2140 C CD2 . PHE A 1 276 ? 18.414 11.523 21.643 1.00 31.48 ? 968 PHE A CD2 1 \nATOM 2141 C CE1 . PHE A 1 276 ? 19.312 12.484 24.098 1.00 37.91 ? 968 PHE A CE1 1 \nATOM 2142 C CE2 . PHE A 1 276 ? 19.764 11.894 21.814 1.00 28.57 ? 968 PHE A CE2 1 \nATOM 2143 C CZ . PHE A 1 276 ? 20.193 12.375 23.040 1.00 28.34 ? 968 PHE A CZ 1 \nATOM 2144 N N . SER A 1 277 ? 13.498 9.131 22.682 1.00 30.87 ? 969 SER A N 1 \nATOM 2145 C CA . SER A 1 277 ? 12.068 8.965 23.060 1.00 33.85 ? 969 SER A CA 1 \nATOM 2146 C C . SER A 1 277 ? 11.898 7.999 24.228 1.00 33.17 ? 969 SER A C 1 \nATOM 2147 O O . SER A 1 277 ? 11.093 8.243 25.128 1.00 34.84 ? 969 SER A O 1 \nATOM 2148 C CB . SER A 1 277 ? 11.181 8.532 21.883 1.00 32.06 ? 969 SER A CB 1 \nATOM 2149 O OG . SER A 1 277 ? 10.991 9.585 20.955 1.00 33.02 ? 969 SER A OG 1 \nATOM 2150 N N . LYS A 1 278 ? 12.652 6.908 24.205 1.00 32.14 ? 970 LYS A N 1 \nATOM 2151 C CA . LYS A 1 278 ? 12.703 5.961 25.309 1.00 37.37 ? 970 LYS A CA 1 \nATOM 2152 C C . LYS A 1 278 ? 13.193 6.609 26.609 1.00 39.04 ? 970 LYS A C 1 \nATOM 2153 O O . LYS A 1 278 ? 12.638 6.378 27.685 1.00 34.22 ? 970 LYS A O 1 \nATOM 2154 C CB . LYS A 1 278 ? 13.586 4.781 24.930 1.00 44.71 ? 970 LYS A CB 1 \nATOM 2155 C CG . LYS A 1 278 ? 13.514 3.603 25.888 1.00 54.40 ? 970 LYS A CG 1 \nATOM 2156 C CD . LYS A 1 278 ? 14.842 2.871 25.914 1.00 66.75 ? 970 LYS A CD 1 \nATOM 2157 C CE . LYS A 1 278 ? 15.858 3.647 26.735 1.00 61.14 ? 970 LYS A CE 1 \nATOM 2158 N NZ . LYS A 1 278 ? 17.221 3.578 26.145 1.00 57.30 ? 970 LYS A NZ 1 \nATOM 2159 N N . MET A 1 279 ? 14.221 7.447 26.507 1.00 34.27 ? 971 MET A N 1 \nATOM 2160 C CA . MET A 1 279 ? 14.714 8.170 27.667 1.00 38.53 ? 971 MET A CA 1 \nATOM 2161 C C . MET A 1 279 ? 13.699 9.182 28.205 1.00 36.40 ? 971 MET A C 1 \nATOM 2162 O O . MET A 1 279 ? 13.541 9.326 29.421 1.00 37.01 ? 971 MET A O 1 \nATOM 2163 C CB . MET A 1 279 ? 16.045 8.860 27.343 1.00 32.59 ? 971 MET A CB 1 \nATOM 2164 C CG . MET A 1 279 ? 17.187 7.876 27.201 1.00 37.63 ? 971 MET A CG 1 \nATOM 2165 S SD . MET A 1 279 ? 18.730 8.693 26.743 1.00 42.65 ? 971 MET A SD 1 \nATOM 2166 C CE . MET A 1 279 ? 19.755 7.243 26.504 1.00 41.03 ? 971 MET A CE 1 \nATOM 2167 N N . ALA A 1 280 ? 13.022 9.881 27.306 1.00 35.63 ? 972 ALA A N 1 \nATOM 2168 C CA . ALA A 1 280 ? 12.009 10.863 27.707 1.00 40.29 ? 972 ALA A CA 1 \nATOM 2169 C C . ALA A 1 280 ? 10.846 10.214 28.471 1.00 39.74 ? 972 ALA A C 1 \nATOM 2170 O O . ALA A 1 280 ? 10.048 10.905 29.100 1.00 41.83 ? 972 ALA A O 1 \nATOM 2171 C CB . ALA A 1 280 ? 11.484 11.612 26.501 1.00 36.65 ? 972 ALA A CB 1 \nATOM 2172 N N . ARG A 1 281 ? 10.763 8.890 28.411 1.00 38.80 ? 973 ARG A N 1 \nATOM 2173 C CA . ARG A 1 281 ? 9.721 8.145 29.122 1.00 45.17 ? 973 ARG A CA 1 \nATOM 2174 C C . ARG A 1 281 ? 10.071 7.938 30.587 1.00 46.95 ? 973 ARG A C 1 \nATOM 2175 O O . ARG A 1 281 ? 9.193 7.680 31.408 1.00 46.82 ? 973 ARG A O 1 \nATOM 2176 C CB . ARG A 1 281 ? 9.460 6.799 28.448 1.00 49.11 ? 973 ARG A CB 1 \nATOM 2177 C CG . ARG A 1 281 ? 8.497 6.894 27.281 1.00 63.00 ? 973 ARG A CG 1 \nATOM 2178 C CD . ARG A 1 281 ? 8.006 5.523 26.852 1.00 68.86 ? 973 ARG A CD 1 \nATOM 2179 N NE . ARG A 1 281 ? 8.972 4.845 25.992 1.00 74.80 ? 973 ARG A NE 1 \nATOM 2180 C CZ . ARG A 1 281 ? 9.147 5.112 24.699 1.00 74.25 ? 973 ARG A CZ 1 \nATOM 2181 N NH1 . ARG A 1 281 ? 8.426 6.054 24.094 1.00 60.78 ? 973 ARG A NH1 1 \nATOM 2182 N NH2 . ARG A 1 281 ? 10.052 4.439 24.007 1.00 62.58 ? 973 ARG A NH2 1 \nATOM 2183 N N . ASP A 1 282 ? 11.356 8.059 30.913 1.00 44.27 ? 974 ASP A N 1 \nATOM 2184 C CA . ASP A 1 282 ? 11.825 7.902 32.281 1.00 40.09 ? 974 ASP A CA 1 \nATOM 2185 C C . ASP A 1 282 ? 12.989 8.886 32.485 1.00 43.22 ? 974 ASP A C 1 \nATOM 2186 O O . ASP A 1 282 ? 14.125 8.467 32.685 1.00 44.56 ? 974 ASP A O 1 \nATOM 2187 C CB . ASP A 1 282 ? 12.254 6.440 32.496 1.00 49.38 ? 974 ASP A CB 1 \nATOM 2188 C CG . ASP A 1 282 ? 12.701 6.146 33.922 1.00 50.59 ? 974 ASP A CG 1 \nATOM 2189 O OD1 . ASP A 1 282 ? 12.452 6.968 34.825 1.00 48.82 ? 974 ASP A OD1 1 \nATOM 2190 O OD2 . ASP A 1 282 ? 13.317 5.076 34.134 1.00 59.91 ? 974 ASP A OD2 1 \nATOM 2191 N N . PRO A 1 283 ? 12.706 10.199 32.427 1.00 47.74 ? 975 PRO A N 1 \nATOM 2192 C CA . PRO A 1 283 ? 13.787 11.200 32.291 1.00 38.86 ? 975 PRO A CA 1 \nATOM 2193 C C . PRO A 1 283 ? 14.784 11.235 33.452 1.00 49.16 ? 975 PRO A C 1 \nATOM 2194 O O . PRO A 1 283 ? 15.972 11.511 33.256 1.00 35.53 ? 975 PRO A O 1 \nATOM 2195 C CB . PRO A 1 283 ? 13.033 12.530 32.189 1.00 42.70 ? 975 PRO A CB 1 \nATOM 2196 C CG . PRO A 1 283 ? 11.678 12.271 32.763 1.00 40.71 ? 975 PRO A CG 1 \nATOM 2197 C CD . PRO A 1 283 ? 11.371 10.826 32.491 1.00 37.78 ? 975 PRO A CD 1 \nATOM 2198 N N . GLN A 1 284 ? 14.305 10.943 34.654 1.00 46.37 ? 976 GLN A N 1 \nATOM 2199 C CA . GLN A 1 284 ? 15.132 11.037 35.844 1.00 44.65 ? 976 GLN A CA 1 \nATOM 2200 C C . GLN A 1 284 ? 16.125 9.898 35.976 1.00 44.99 ? 976 GLN A C 1 \nATOM 2201 O O . GLN A 1 284 ? 17.103 10.018 36.712 1.00 46.21 ? 976 GLN A O 1 \nATOM 2202 C CB . GLN A 1 284 ? 14.268 11.228 37.092 1.00 49.69 ? 976 GLN A CB 1 \nATOM 2203 C CG . GLN A 1 284 ? 13.475 12.530 37.034 1.00 56.06 ? 976 GLN A CG 1 \nATOM 2204 C CD . GLN A 1 284 ? 12.517 12.716 38.191 1.00 63.88 ? 976 GLN A CD 1 \nATOM 2205 O OE1 . GLN A 1 284 ? 11.316 12.930 37.993 1.00 71.50 ? 976 GLN A OE1 1 \nATOM 2206 N NE2 . GLN A 1 284 ? 13.039 12.644 39.403 1.00 50.50 ? 976 GLN A NE2 1 \nATOM 2207 N N . ARG A 1 285 ? 15.884 8.808 35.243 1.00 42.74 ? 977 ARG A N 1 \nATOM 2208 C CA . ARG A 1 285 ? 16.888 7.757 35.069 1.00 45.63 ? 977 ARG A CA 1 \nATOM 2209 C C . ARG A 1 285 ? 18.112 8.246 34.274 1.00 43.53 ? 977 ARG A C 1 \nATOM 2210 O O . ARG A 1 285 ? 19.234 7.782 34.496 1.00 42.89 ? 977 ARG A O 1 \nATOM 2211 C CB . ARG A 1 285 ? 16.281 6.535 34.364 1.00 45.27 ? 977 ARG A CB 1 \nATOM 2212 C CG . ARG A 1 285 ? 17.132 5.283 34.472 1.00 46.22 ? 977 ARG A CG 1 \nATOM 2213 C CD . ARG A 1 285 ? 16.596 4.107 33.671 1.00 54.73 ? 977 ARG A CD 1 \nATOM 2214 N NE . ARG A 1 285 ? 17.709 3.226 33.297 1.00 57.38 ? 977 ARG A NE 1 \nATOM 2215 C CZ . ARG A 1 285 ? 17.623 2.135 32.532 1.00 64.89 ? 977 ARG A CZ 1 \nATOM 2216 N NH1 . ARG A 1 285 ? 18.720 1.429 32.275 1.00 58.85 ? 977 ARG A NH1 1 \nATOM 2217 N NH2 . ARG A 1 285 ? 16.465 1.744 32.016 1.00 46.96 ? 977 ARG A NH2 1 \nATOM 2218 N N . TYR A 1 286 ? 17.904 9.187 33.354 1.00 45.93 ? 978 TYR A N 1 \nATOM 2219 C CA . TYR A 1 286 ? 18.962 9.530 32.383 1.00 38.90 ? 978 TYR A CA 1 \nATOM 2220 C C . TYR A 1 286 ? 19.665 10.872 32.595 1.00 39.82 ? 978 TYR A C 1 \nATOM 2221 O O . TYR A 1 286 ? 20.848 11.039 32.216 1.00 32.24 ? 978 TYR A O 1 \nATOM 2222 C CB . TYR A 1 286 ? 18.411 9.401 30.966 1.00 35.50 ? 978 TYR A CB 1 \nATOM 2223 C CG . TYR A 1 286 ? 17.969 7.990 30.665 1.00 38.93 ? 978 TYR A CG 1 \nATOM 2224 C CD1 . TYR A 1 286 ? 16.619 7.628 30.743 1.00 41.70 ? 978 TYR A CD1 1 \nATOM 2225 C CD2 . TYR A 1 286 ? 18.900 7.009 30.321 1.00 39.01 ? 978 TYR A CD2 1 \nATOM 2226 C CE1 . TYR A 1 286 ? 16.211 6.324 30.474 1.00 40.99 ? 978 TYR A CE1 1 \nATOM 2227 C CE2 . TYR A 1 286 ? 18.500 5.699 30.064 1.00 43.77 ? 978 TYR A CE2 1 \nATOM 2228 C CZ . TYR A 1 286 ? 17.154 5.369 30.140 1.00 47.30 ? 978 TYR A CZ 1 \nATOM 2229 O OH . TYR A 1 286 ? 16.756 4.081 29.863 1.00 43.86 ? 978 TYR A OH 1 \nATOM 2230 N N . LEU A 1 287 ? 18.938 11.822 33.181 1.00 32.08 ? 979 LEU A N 1 \nATOM 2231 C CA . LEU A 1 287 ? 19.534 13.110 33.578 1.00 32.15 ? 979 LEU A CA 1 \nATOM 2232 C C . LEU A 1 287 ? 19.379 13.331 35.074 1.00 37.34 ? 979 LEU A C 1 \nATOM 2233 O O . LEU A 1 287 ? 18.300 13.095 35.640 1.00 40.97 ? 979 LEU A O 1 \nATOM 2234 C CB . LEU A 1 287 ? 18.920 14.286 32.787 1.00 32.90 ? 979 LEU A CB 1 \nATOM 2235 C CG . LEU A 1 287 ? 19.028 14.222 31.257 1.00 37.92 ? 979 LEU A CG 1 \nATOM 2236 C CD1 . LEU A 1 287 ? 18.289 15.375 30.604 1.00 34.76 ? 979 LEU A CD1 1 \nATOM 2237 C CD2 . LEU A 1 287 ? 20.481 14.218 30.787 1.00 30.23 ? 979 LEU A CD2 1 \nATOM 2238 N N . VAL A 1 288 ? 20.460 13.780 35.710 1.00 35.35 ? 980 VAL A N 1 \nATOM 2239 C CA . VAL A 1 288 ? 20.490 14.006 37.150 1.00 41.00 ? 980 VAL A CA 1 \nATOM 2240 C C . VAL A 1 288 ? 20.533 15.506 37.424 1.00 40.10 ? 980 VAL A C 1 \nATOM 2241 O O . VAL A 1 288 ? 21.585 16.134 37.309 1.00 40.40 ? 980 VAL A O 1 \nATOM 2242 C CB . VAL A 1 288 ? 21.692 13.297 37.827 1.00 41.35 ? 980 VAL A CB 1 \nATOM 2243 C CG1 . VAL A 1 288 ? 21.594 13.413 39.343 1.00 47.67 ? 980 VAL A CG1 1 \nATOM 2244 C CG2 . VAL A 1 288 ? 21.748 11.832 37.428 1.00 44.11 ? 980 VAL A CG2 1 \nATOM 2245 N N . ILE A 1 289 ? 19.380 16.067 37.785 1.00 38.21 ? 981 ILE A N 1 \nATOM 2246 C CA . ILE A 1 289 ? 19.229 17.500 38.005 1.00 41.44 ? 981 ILE A CA 1 \nATOM 2247 C C . ILE A 1 289 ? 18.665 17.708 39.411 1.00 50.08 ? 981 ILE A C 1 \nATOM 2248 O O . ILE A 1 289 ? 17.603 17.179 39.731 1.00 46.16 ? 981 ILE A O 1 \nATOM 2249 C CB . ILE A 1 289 ? 18.273 18.126 36.956 1.00 43.63 ? 981 ILE A CB 1 \nATOM 2250 C CG1 . ILE A 1 289 ? 18.811 17.912 35.526 1.00 40.45 ? 981 ILE A CG1 1 \nATOM 2251 C CG2 . ILE A 1 289 ? 18.020 19.603 37.244 1.00 44.86 ? 981 ILE A CG2 1 \nATOM 2252 C CD1 . ILE A 1 289 ? 17.808 18.200 34.428 1.00 44.41 ? 981 ILE A CD1 1 \nATOM 2253 N N . GLN A 1 290 ? 19.367 18.469 40.247 1.00 50.83 ? 982 GLN A N 1 \nATOM 2254 C CA . GLN A 1 290 ? 18.880 18.741 41.600 1.00 51.62 ? 982 GLN A CA 1 \nATOM 2255 C C . GLN A 1 290 ? 17.574 19.526 41.551 1.00 55.46 ? 982 GLN A C 1 \nATOM 2256 O O . GLN A 1 290 ? 17.480 20.552 40.874 1.00 57.81 ? 982 GLN A O 1 \nATOM 2257 C CB . GLN A 1 290 ? 19.919 19.503 42.417 1.00 66.60 ? 982 GLN A CB 1 \nATOM 2258 C CG . GLN A 1 290 ? 19.629 19.481 43.912 1.00 84.41 ? 982 GLN A CG 1 \nATOM 2259 C CD . GLN A 1 290 ? 20.596 20.323 44.721 1.00 91.98 ? 982 GLN A CD 1 \nATOM 2260 O OE1 . GLN A 1 290 ? 20.963 21.428 44.321 1.00 79.66 ? 982 GLN A OE1 1 \nATOM 2261 N NE2 . GLN A 1 290 ? 21.005 19.805 45.874 1.00 98.17 ? 982 GLN A NE2 1 \nATOM 2262 N N . GLY A 1 291 ? 16.564 19.031 42.260 1.00 57.34 ? 983 GLY A N 1 \nATOM 2263 C CA . GLY A 1 291 ? 15.272 19.707 42.324 1.00 58.56 ? 983 GLY A CA 1 \nATOM 2264 C C . GLY A 1 291 ? 14.382 19.380 41.140 1.00 64.74 ? 983 GLY A C 1 \nATOM 2265 O O . GLY A 1 291 ? 13.302 19.957 40.991 1.00 57.96 ? 983 GLY A O 1 \nATOM 2266 N N . ASP A 1 292 ? 14.829 18.429 40.319 1.00 58.41 ? 984 ASP A N 1 \nATOM 2267 C CA . ASP A 1 292 ? 14.153 18.052 39.082 1.00 50.51 ? 984 ASP A CA 1 \nATOM 2268 C C . ASP A 1 292 ? 12.631 17.979 39.234 1.00 54.41 ? 984 ASP A C 1 \nATOM 2269 O O . ASP A 1 292 ? 11.900 18.579 38.444 1.00 54.82 ? 984 ASP A O 1 \nATOM 2270 C CB . ASP A 1 292 ? 14.706 16.714 38.572 1.00 41.18 ? 984 ASP A CB 1 \nATOM 2271 C CG . ASP A 1 292 ? 14.494 16.510 37.081 1.00 51.31 ? 984 ASP A CG 1 \nATOM 2272 O OD1 . ASP A 1 292 ? 13.942 17.406 36.407 1.00 55.80 ? 984 ASP A OD1 1 \nATOM 2273 O OD2 . ASP A 1 292 ? 14.890 15.434 36.583 1.00 53.67 ? 984 ASP A OD2 1 \nATOM 2274 N N . GLU A 1 293 ? 12.168 17.250 40.250 1.00 61.44 ? 985 GLU A N 1 \nATOM 2275 C CA . GLU A 1 293 ? 10.734 17.068 40.514 1.00 75.39 ? 985 GLU A CA 1 \nATOM 2276 C C . GLU A 1 293 ? 9.997 18.398 40.742 1.00 70.39 ? 985 GLU A C 1 \nATOM 2277 O O . GLU A 1 293 ? 8.878 18.582 40.260 1.00 71.81 ? 985 GLU A O 1 \nATOM 2278 C CB . GLU A 1 293 ? 10.529 16.127 41.710 1.00 87.47 ? 985 GLU A CB 1 \nATOM 2279 C CG . GLU A 1 293 ? 9.132 15.530 41.829 1.00 106.30 ? 985 GLU A CG 1 \nATOM 2280 C CD . GLU A 1 293 ? 8.910 14.338 40.911 1.00 119.07 ? 985 GLU A CD 1 \nATOM 2281 O OE1 . GLU A 1 293 ? 9.723 13.387 40.948 1.00 109.24 ? 985 GLU A OE1 1 \nATOM 2282 O OE2 . GLU A 1 293 ? 7.911 14.345 40.160 1.00 120.64 ? 985 GLU A OE2 1 \nATOM 2283 N N . ARG A 1 294 ? 10.636 19.315 41.465 1.00 70.04 ? 986 ARG A N 1 \nATOM 2284 C CA . ARG A 1 294 ? 10.063 20.626 41.770 1.00 74.49 ? 986 ARG A CA 1 \nATOM 2285 C C . ARG A 1 294 ? 10.618 21.720 40.852 1.00 82.24 ? 986 ARG A C 1 \nATOM 2286 O O . ARG A 1 294 ? 11.241 22.679 41.317 1.00 98.92 ? 986 ARG A O 1 \nATOM 2287 C CB . ARG A 1 294 ? 10.291 20.990 43.249 1.00 78.16 ? 986 ARG A CB 1 \nATOM 2288 C CG . ARG A 1 294 ? 9.347 20.310 44.236 1.00 89.52 ? 986 ARG A CG 1 \nATOM 2289 C CD . ARG A 1 294 ? 9.857 18.947 44.685 1.00 91.30 ? 986 ARG A CD 1 \nATOM 2290 N NE . ARG A 1 294 ? 10.823 19.046 45.780 1.00 105.11 ? 986 ARG A NE 1 \nATOM 2291 C CZ . ARG A 1 294 ? 10.561 18.740 47.050 1.00 116.04 ? 986 ARG A CZ 1 \nATOM 2292 N NH1 . ARG A 1 294 ? 9.358 18.302 47.404 1.00 113.63 ? 986 ARG A NH1 1 \nATOM 2293 N NH2 . ARG A 1 294 ? 11.509 18.865 47.973 1.00 102.80 ? 986 ARG A NH2 1 \nATOM 2294 N N . MET A 1 295 ? 10.395 21.570 39.548 1.00 81.34 ? 987 MET A N 1 \nATOM 2295 C CA . MET A 1 295 ? 10.823 22.582 38.579 1.00 74.92 ? 987 MET A CA 1 \nATOM 2296 C C . MET A 1 295 ? 9.706 23.056 37.667 1.00 78.05 ? 987 MET A C 1 \nATOM 2297 O O . MET A 1 295 ? 9.112 22.272 36.924 1.00 65.68 ? 987 MET A O 1 \nATOM 2298 C CB . MET A 1 295 ? 12.022 22.112 37.756 1.00 80.36 ? 987 MET A CB 1 \nATOM 2299 C CG . MET A 1 295 ? 13.333 22.695 38.244 1.00 67.52 ? 987 MET A CG 1 \nATOM 2300 S SD . MET A 1 295 ? 14.745 21.861 37.521 1.00 74.21 ? 987 MET A SD 1 \nATOM 2301 C CE . MET A 1 295 ? 16.070 22.517 38.532 1.00 74.56 ? 987 MET A CE 1 \nATOM 2302 N N . HIS A 1 296 ? 9.450 24.356 37.730 1.00 94.20 ? 988 HIS A N 1 \nATOM 2303 C CA . HIS A 1 296 ? 8.340 24.980 37.028 1.00 94.97 ? 988 HIS A CA 1 \nATOM 2304 C C . HIS A 1 296 ? 8.871 25.986 36.014 1.00 76.90 ? 988 HIS A C 1 \nATOM 2305 O O . HIS A 1 296 ? 9.596 26.914 36.376 1.00 78.04 ? 988 HIS A O 1 \nATOM 2306 C CB . HIS A 1 296 ? 7.414 25.673 38.040 1.00 115.88 ? 988 HIS A CB 1 \nATOM 2307 C CG . HIS A 1 296 ? 8.135 26.558 39.016 1.00 132.41 ? 988 HIS A CG 1 \nATOM 2308 N ND1 . HIS A 1 296 ? 8.836 26.062 40.095 1.00 126.55 ? 988 HIS A ND1 1 \nATOM 2309 C CD2 . HIS A 1 296 ? 8.264 27.905 39.071 1.00 128.35 ? 988 HIS A CD2 1 \nATOM 2310 C CE1 . HIS A 1 296 ? 9.366 27.065 40.772 1.00 120.82 ? 988 HIS A CE1 1 \nATOM 2311 N NE2 . HIS A 1 296 ? 9.034 28.194 40.172 1.00 121.40 ? 988 HIS A NE2 1 \nATOM 2312 N N . LEU A 1 297 ? 8.529 25.798 34.744 1.00 61.44 ? 989 LEU A N 1 \nATOM 2313 C CA . LEU A 1 297 ? 8.944 26.763 33.728 1.00 72.63 ? 989 LEU A CA 1 \nATOM 2314 C C . LEU A 1 297 ? 8.065 28.009 33.747 1.00 85.75 ? 989 LEU A C 1 \nATOM 2315 O O . LEU A 1 297 ? 6.834 27.894 33.749 1.00 68.16 ? 989 LEU A O 1 \nATOM 2316 C CB . LEU A 1 297 ? 8.997 26.145 32.325 1.00 67.66 ? 989 LEU A CB 1 \nATOM 2317 C CG . LEU A 1 297 ? 10.311 25.454 31.936 1.00 67.91 ? 989 LEU A CG 1 \nATOM 2318 C CD1 . LEU A 1 297 ? 10.234 25.008 30.488 1.00 65.81 ? 989 LEU A CD1 1 \nATOM 2319 C CD2 . LEU A 1 297 ? 11.531 26.344 32.152 1.00 50.84 ? 989 LEU A CD2 1 \nATOM 2320 N N . PRO A 1 298 ? 8.700 29.202 33.773 1.00 86.52 ? 990 PRO A N 1 \nATOM 2321 C CA . PRO A 1 298 ? 7.985 30.476 33.786 1.00 89.95 ? 990 PRO A CA 1 \nATOM 2322 C C . PRO A 1 298 ? 7.082 30.614 32.576 1.00 85.79 ? 990 PRO A C 1 \nATOM 2323 O O . PRO A 1 298 ? 7.395 30.085 31.505 1.00 80.02 ? 990 PRO A O 1 \nATOM 2324 C CB . PRO A 1 298 ? 9.110 31.515 33.708 1.00 92.65 ? 990 PRO A CB 1 \nATOM 2325 C CG . PRO A 1 298 ? 10.305 30.821 34.259 1.00 91.35 ? 990 PRO A CG 1 \nATOM 2326 C CD . PRO A 1 298 ? 10.161 29.400 33.802 1.00 83.38 ? 990 PRO A CD 1 \nATOM 2327 N N . SER A 1 299 ? 5.965 31.312 32.762 1.00 84.48 ? 991 SER A N 1 \nATOM 2328 C CA . SER A 1 299 ? 5.051 31.639 31.676 1.00 93.44 ? 991 SER A CA 1 \nATOM 2329 C C . SER A 1 299 ? 5.854 32.156 30.482 1.00 92.51 ? 991 SER A C 1 \nATOM 2330 O O . SER A 1 299 ? 6.660 33.080 30.632 1.00 91.73 ? 991 SER A O 1 \nATOM 2331 C CB . SER A 1 299 ? 4.032 32.684 32.138 1.00 98.17 ? 991 SER A CB 1 \nATOM 2332 O OG . SER A 1 299 ? 3.057 32.924 31.141 1.00 92.32 ? 991 SER A OG 1 \nATOM 2333 N N . PRO A 1 300 ? 5.655 31.541 29.299 1.00 96.28 ? 992 PRO A N 1 \nATOM 2334 C CA . PRO A 1 300 ? 6.471 31.836 28.118 1.00 93.22 ? 992 PRO A CA 1 \nATOM 2335 C C . PRO A 1 300 ? 6.521 33.327 27.773 1.00 101.42 ? 992 PRO A C 1 \nATOM 2336 O O . PRO A 1 300 ? 7.588 33.832 27.417 1.00 105.40 ? 992 PRO A O 1 \nATOM 2337 C CB . PRO A 1 300 ? 5.781 31.044 26.999 1.00 89.86 ? 992 PRO A CB 1 \nATOM 2338 C CG . PRO A 1 300 ? 5.037 29.959 27.697 1.00 95.22 ? 992 PRO A CG 1 \nATOM 2339 C CD . PRO A 1 300 ? 4.610 30.540 29.012 1.00 100.69 ? 992 PRO A CD 1 \nATOM 2340 N N . THR A 1 301 ? 5.386 34.019 27.896 1.00 81.78 ? 993 THR A N 1 \nATOM 2341 C CA . THR A 1 301 ? 5.290 35.439 27.527 1.00 91.40 ? 993 THR A CA 1 \nATOM 2342 C C . THR A 1 301 ? 5.809 36.395 28.607 1.00 106.34 ? 993 THR A C 1 \nATOM 2343 O O . THR A 1 301 ? 5.974 37.594 28.355 1.00 103.45 ? 993 THR A O 1 \nATOM 2344 C CB . THR A 1 301 ? 3.857 35.833 27.114 1.00 90.34 ? 993 THR A CB 1 \nATOM 2345 O OG1 . THR A 1 301 ? 2.911 35.171 27.963 1.00 97.10 ? 993 THR A OG1 1 \nATOM 2346 C CG2 . THR A 1 301 ? 3.590 35.439 25.666 1.00 85.30 ? 993 THR A CG2 1 \nATOM 2347 N N . ASP A 1 302 ? 6.066 35.861 29.800 1.00 111.43 ? 994 ASP A N 1 \nATOM 2348 C CA . ASP A 1 302 ? 6.711 36.622 30.869 1.00 102.16 ? 994 ASP A CA 1 \nATOM 2349 C C . ASP A 1 302 ? 8.228 36.642 30.686 1.00 91.62 ? 994 ASP A C 1 \nATOM 2350 O O . ASP A 1 302 ? 8.942 37.286 31.459 1.00 91.58 ? 994 ASP A O 1 \nATOM 2351 C CB . ASP A 1 302 ? 6.352 36.050 32.248 1.00 102.74 ? 994 ASP A CB 1 \nATOM 2352 C CG . ASP A 1 302 ? 4.889 36.266 32.618 1.00 109.76 ? 994 ASP A CG 1 \nATOM 2353 O OD1 . ASP A 1 302 ? 4.078 36.622 31.733 1.00 97.63 ? 994 ASP A OD1 1 \nATOM 2354 O OD2 . ASP A 1 302 ? 4.551 36.072 33.807 1.00 97.59 ? 994 ASP A OD2 1 \nATOM 2355 N N . SER A 1 303 ? 8.716 35.937 29.664 1.00 82.22 ? 995 SER A N 1 \nATOM 2356 C CA . SER A 1 303 ? 10.146 35.925 29.364 1.00 72.60 ? 995 SER A CA 1 \nATOM 2357 C C . SER A 1 303 ? 10.578 37.299 28.878 1.00 75.53 ? 995 SER A C 1 \nATOM 2358 O O . SER A 1 303 ? 9.802 38.037 28.253 1.00 70.58 ? 995 SER A O 1 \nATOM 2359 C CB . SER A 1 303 ? 10.526 34.838 28.336 1.00 76.40 ? 995 SER A CB 1 \nATOM 2360 O OG . SER A 1 303 ? 10.649 35.348 27.010 1.00 56.44 ? 995 SER A OG 1 \nATOM 2361 N N . ASN A 1 304 ? 11.823 37.631 29.181 1.00 70.57 ? 996 ASN A N 1 \nATOM 2362 C CA . ASN A 1 304 ? 12.399 38.885 28.758 1.00 73.99 ? 996 ASN A CA 1 \nATOM 2363 C C . ASN A 1 304 ? 12.426 38.999 27.234 1.00 75.58 ? 996 ASN A C 1 \nATOM 2364 O O . ASN A 1 304 ? 12.012 40.027 26.679 1.00 73.07 ? 996 ASN A O 1 \nATOM 2365 C CB . ASN A 1 304 ? 13.791 39.042 29.372 1.00 63.63 ? 996 ASN A CB 1 \nATOM 2366 C CG . ASN A 1 304 ? 13.744 39.179 30.887 1.00 74.59 ? 996 ASN A CG 1 \nATOM 2367 O OD1 . ASN A 1 304 ? 12.766 39.689 31.448 1.00 68.42 ? 996 ASN A OD1 1 \nATOM 2368 N ND2 . ASN A 1 304 ? 14.799 38.723 31.558 1.00 60.65 ? 996 ASN A ND2 1 \nATOM 2369 N N . PHE A 1 305 ? 12.862 37.923 26.570 1.00 67.63 ? 997 PHE A N 1 \nATOM 2370 C CA . PHE A 1 305 ? 13.005 37.907 25.112 1.00 45.42 ? 997 PHE A CA 1 \nATOM 2371 C C . PHE A 1 305 ? 11.723 38.287 24.381 1.00 51.92 ? 997 PHE A C 1 \nATOM 2372 O O . PHE A 1 305 ? 11.767 39.103 23.461 1.00 62.38 ? 997 PHE A O 1 \nATOM 2373 C CB . PHE A 1 305 ? 13.574 36.568 24.597 1.00 55.03 ? 997 PHE A CB 1 \nATOM 2374 C CG . PHE A 1 305 ? 14.234 36.683 23.247 1.00 45.20 ? 997 PHE A CG 1 \nATOM 2375 C CD1 . PHE A 1 305 ? 13.478 36.619 22.079 1.00 41.23 ? 997 PHE A CD1 1 \nATOM 2376 C CD2 . PHE A 1 305 ? 15.601 36.904 23.143 1.00 48.66 ? 997 PHE A CD2 1 \nATOM 2377 C CE1 . PHE A 1 305 ? 14.070 36.757 20.831 1.00 36.44 ? 997 PHE A CE1 1 \nATOM 2378 C CE2 . PHE A 1 305 ? 16.208 37.047 21.903 1.00 48.46 ? 997 PHE A CE2 1 \nATOM 2379 C CZ . PHE A 1 305 ? 15.445 36.979 20.742 1.00 37.79 ? 997 PHE A CZ 1 \nATOM 2380 N N . TYR A 1 306 ? 10.589 37.715 24.789 1.00 43.98 ? 998 TYR A N 1 \nATOM 2381 C CA . TYR A 1 306 ? 9.319 37.981 24.111 1.00 50.06 ? 998 TYR A CA 1 \nATOM 2382 C C . TYR A 1 306 ? 8.932 39.466 24.207 1.00 52.66 ? 998 TYR A C 1 \nATOM 2383 O O . TYR A 1 306 ? 8.694 40.110 23.181 1.00 50.37 ? 998 TYR A O 1 \nATOM 2384 C CB . TYR A 1 306 ? 8.182 37.087 24.631 1.00 50.26 ? 998 TYR A CB 1 \nATOM 2385 C CG . TYR A 1 306 ? 6.861 37.329 23.917 1.00 53.59 ? 998 TYR A CG 1 \nATOM 2386 C CD1 . TYR A 1 306 ? 6.503 36.573 22.808 1.00 65.72 ? 998 TYR A CD1 1 \nATOM 2387 C CD2 . TYR A 1 306 ? 5.975 38.320 24.349 1.00 66.46 ? 998 TYR A CD2 1 \nATOM 2388 C CE1 . TYR A 1 306 ? 5.305 36.785 22.146 1.00 71.54 ? 998 TYR A CE1 1 \nATOM 2389 C CE2 . TYR A 1 306 ? 4.776 38.545 23.691 1.00 67.06 ? 998 TYR A CE2 1 \nATOM 2390 C CZ . TYR A 1 306 ? 4.445 37.775 22.590 1.00 81.38 ? 998 TYR A CZ 1 \nATOM 2391 O OH . TYR A 1 306 ? 3.255 37.987 21.927 1.00 83.86 ? 998 TYR A OH 1 \nATOM 2392 N N . ARG A 1 307 ? 8.874 39.991 25.432 1.00 56.42 ? 999 ARG A N 1 \nATOM 2393 C CA . ARG A 1 307 ? 8.503 41.399 25.661 1.00 66.76 ? 999 ARG A CA 1 \nATOM 2394 C C . ARG A 1 307 ? 9.413 42.378 24.905 1.00 72.09 ? 999 ARG A C 1 \nATOM 2395 O O . ARG A 1 307 ? 8.908 43.316 24.264 1.00 54.14 ? 999 ARG A O 1 \nATOM 2396 C CB . ARG A 1 307 ? 8.470 41.731 27.157 1.00 75.45 ? 999 ARG A CB 1 \nATOM 2397 C CG . ARG A 1 307 ? 7.216 41.268 27.883 1.00 74.94 ? 999 ARG A CG 1 \nATOM 2398 C CD . ARG A 1 307 ? 7.080 41.993 29.214 1.00 92.57 ? 999 ARG A CD 1 \nATOM 2399 N NE . ARG A 1 307 ? 5.868 41.637 29.954 1.00 100.40 ? 999 ARG A NE 1 \nATOM 2400 C CZ . ARG A 1 307 ? 4.684 42.235 29.815 1.00 91.52 ? 999 ARG A CZ 1 \nATOM 2401 N NH1 . ARG A 1 307 ? 3.653 41.834 30.548 1.00 82.09 ? 999 ARG A NH1 1 \nATOM 2402 N NH2 . ARG A 1 307 ? 4.521 43.229 28.948 1.00 73.74 ? 999 ARG A NH2 1 \nATOM 2403 N N . ALA A 1 308 ? 10.733 42.126 24.981 1.00 57.15 ? 1000 ALA A N 1 \nATOM 2404 C CA . ALA A 1 308 ? 11.789 42.855 24.248 1.00 68.38 ? 1000 ALA A CA 1 \nATOM 2405 C C . ALA A 1 308 ? 11.556 42.981 22.738 1.00 71.95 ? 1000 ALA A C 1 \nATOM 2406 O O . ALA A 1 308 ? 12.022 43.944 22.112 1.00 65.03 ? 1000 ALA A O 1 \nATOM 2407 C CB . ALA A 1 308 ? 13.165 42.217 24.502 1.00 40.39 ? 1000 ALA A CB 1 \nATOM 2408 N N . LEU A 1 309 ? 10.858 42.001 22.161 1.00 46.21 ? 1001 LEU A N 1 \nATOM 2409 C CA . LEU A 1 309 ? 10.599 41.970 20.736 1.00 40.49 ? 1001 LEU A CA 1 \nATOM 2410 C C . LEU A 1 309 ? 9.259 42.576 20.348 1.00 53.57 ? 1001 LEU A C 1 \nATOM 2411 O O . LEU A 1 309 ? 9.165 43.282 19.337 1.00 53.84 ? 1001 LEU A O 1 \nATOM 2412 C CB . LEU A 1 309 ? 10.631 40.517 20.238 1.00 45.77 ? 1001 LEU A CB 1 \nATOM 2413 C CG . LEU A 1 309 ? 11.848 40.057 19.447 1.00 44.23 ? 1001 LEU A CG 1 \nATOM 2414 C CD1 . LEU A 1 309 ? 13.080 40.042 20.339 1.00 48.87 ? 1001 LEU A CD1 1 \nATOM 2415 C CD2 . LEU A 1 309 ? 11.594 38.682 18.855 1.00 41.26 ? 1001 LEU A CD2 1 \nATOM 2416 N N . MET A 1 310 ? 8.227 42.280 21.138 1.00 53.10 ? 1002 MET A N 1 \nATOM 2417 C CA . MET A 1 310 ? 6.840 42.522 20.706 1.00 62.26 ? 1002 MET A CA 1 \nATOM 2418 C C . MET A 1 310 ? 6.179 43.786 21.256 1.00 69.68 ? 1002 MET A C 1 \nATOM 2419 O O . MET A 1 310 ? 5.263 44.326 20.625 1.00 61.34 ? 1002 MET A O 1 \nATOM 2420 C CB . MET A 1 310 ? 5.961 41.304 21.002 1.00 58.73 ? 1002 MET A CB 1 \nATOM 2421 C CG . MET A 1 310 ? 6.454 39.993 20.406 1.00 69.22 ? 1002 MET A CG 1 \nATOM 2422 S SD . MET A 1 310 ? 6.912 40.077 18.661 1.00 66.89 ? 1002 MET A SD 1 \nATOM 2423 C CE . MET A 1 310 ? 5.350 40.495 17.883 1.00 72.08 ? 1002 MET A CE 1 \nATOM 2424 N N . ASP A 1 311 ? 6.640 44.251 22.416 1.00 73.79 ? 1003 ASP A N 1 \nATOM 2425 C CA . ASP A 1 311 ? 6.024 45.404 23.095 1.00 93.71 ? 1003 ASP A CA 1 \nATOM 2426 C C . ASP A 1 311 ? 6.280 46.765 22.430 1.00 87.67 ? 1003 ASP A C 1 \nATOM 2427 O O . ASP A 1 311 ? 5.575 47.736 22.721 1.00 88.50 ? 1003 ASP A O 1 \nATOM 2428 C CB . ASP A 1 311 ? 6.420 45.449 24.578 1.00 89.49 ? 1003 ASP A CB 1 \nATOM 2429 C CG . ASP A 1 311 ? 5.643 44.452 25.426 1.00 94.17 ? 1003 ASP A CG 1 \nATOM 2430 O OD1 . ASP A 1 311 ? 5.332 43.344 24.936 1.00 89.80 ? 1003 ASP A OD1 1 \nATOM 2431 O OD2 . ASP A 1 311 ? 5.350 44.779 26.596 1.00 109.80 ? 1003 ASP A OD2 1 \nATOM 2432 N N . GLU A 1 312 ? 7.276 46.830 21.546 1.00 85.41 ? 1004 GLU A N 1 \nATOM 2433 C CA . GLU A 1 312 ? 7.565 48.046 20.781 1.00 93.45 ? 1004 GLU A CA 1 \nATOM 2434 C C . GLU A 1 312 ? 6.314 48.554 20.060 1.00 91.45 ? 1004 GLU A C 1 \nATOM 2435 O O . GLU A 1 312 ? 5.539 47.762 19.520 1.00 82.23 ? 1004 GLU A O 1 \nATOM 2436 C CB . GLU A 1 312 ? 8.690 47.788 19.775 1.00 93.39 ? 1004 GLU A CB 1 \nATOM 2437 C CG . GLU A 1 312 ? 9.148 49.021 19.005 1.00 94.09 ? 1004 GLU A CG 1 \nATOM 2438 C CD . GLU A 1 312 ? 10.248 48.715 18.005 1.00 101.52 ? 1004 GLU A CD 1 \nATOM 2439 O OE1 . GLU A 1 312 ? 10.530 49.583 17.147 1.00 80.73 ? 1004 GLU A OE1 1 \nATOM 2440 O OE2 . GLU A 1 312 ? 10.832 47.611 18.072 1.00 81.92 ? 1004 GLU A OE2 1 \nATOM 2441 N N . GLU A 1 313 ? 6.126 49.874 20.064 1.00 95.81 ? 1005 GLU A N 1 \nATOM 2442 C CA . GLU A 1 313 ? 4.944 50.509 19.468 1.00 104.88 ? 1005 GLU A CA 1 \nATOM 2443 C C . GLU A 1 313 ? 4.859 50.336 17.949 1.00 106.59 ? 1005 GLU A C 1 \nATOM 2444 O O . GLU A 1 313 ? 3.762 50.332 17.384 1.00 111.84 ? 1005 GLU A O 1 \nATOM 2445 C CB . GLU A 1 313 ? 4.872 51.991 19.851 1.00 104.00 ? 1005 GLU A CB 1 \nATOM 2446 C CG . GLU A 1 313 ? 4.303 52.231 21.243 1.00 107.89 ? 1005 GLU A CG 1 \nATOM 2447 C CD . GLU A 1 313 ? 4.496 53.654 21.742 1.00 110.98 ? 1005 GLU A CD 1 \nATOM 2448 O OE1 . GLU A 1 313 ? 4.178 53.906 22.925 1.00 95.43 ? 1005 GLU A OE1 1 \nATOM 2449 O OE2 . GLU A 1 313 ? 4.963 54.518 20.966 1.00 103.24 ? 1005 GLU A OE2 1 \nATOM 2450 N N . ASP A 1 314 ? 6.016 50.190 17.301 1.00 117.69 ? 1006 ASP A N 1 \nATOM 2451 C CA . ASP A 1 314 ? 6.085 49.910 15.862 1.00 122.83 ? 1006 ASP A CA 1 \nATOM 2452 C C . ASP A 1 314 ? 5.346 48.617 15.502 1.00 114.70 ? 1006 ASP A C 1 \nATOM 2453 O O . ASP A 1 314 ? 4.738 48.520 14.432 1.00 108.57 ? 1006 ASP A O 1 \nATOM 2454 C CB . ASP A 1 314 ? 7.541 49.857 15.382 1.00 123.65 ? 1006 ASP A CB 1 \nATOM 2455 C CG . ASP A 1 314 ? 8.165 51.241 15.222 1.00 120.44 ? 1006 ASP A CG 1 \nATOM 2456 O OD1 . ASP A 1 314 ? 7.426 52.226 15.000 1.00 108.22 ? 1006 ASP A OD1 1 \nATOM 2457 O OD2 . ASP A 1 314 ? 9.407 51.342 15.307 1.00 108.51 ? 1006 ASP A OD2 1 \nATOM 2458 N N . MET A 1 315 ? 5.403 47.637 16.405 1.00 95.23 ? 1007 MET A N 1 \nATOM 2459 C CA . MET A 1 315 ? 4.582 46.431 16.311 1.00 90.94 ? 1007 MET A CA 1 \nATOM 2460 C C . MET A 1 315 ? 3.162 46.781 16.768 1.00 99.19 ? 1007 MET A C 1 \nATOM 2461 O O . MET A 1 315 ? 2.757 46.435 17.880 1.00 109.79 ? 1007 MET A O 1 \nATOM 2462 C CB . MET A 1 315 ? 5.163 45.292 17.172 1.00 83.16 ? 1007 MET A CB 1 \nATOM 2463 C CG . MET A 1 315 ? 6.685 45.153 17.169 1.00 67.00 ? 1007 MET A CG 1 \nATOM 2464 S SD . MET A 1 315 ? 7.428 44.700 15.581 1.00 68.15 ? 1007 MET A SD 1 \nATOM 2465 C CE . MET A 1 315 ? 6.871 43.001 15.382 1.00 58.33 ? 1007 MET A CE 1 \nATOM 2466 N N . ASP A 1 316 ? 2.420 47.477 15.905 1.00 111.50 ? 1008 ASP A N 1 \nATOM 2467 C CA . ASP A 1 316 ? 1.107 48.039 16.253 1.00 111.00 ? 1008 ASP A CA 1 \nATOM 2468 C C . ASP A 1 316 ? 0.024 46.965 16.422 1.00 105.42 ? 1008 ASP A C 1 \nATOM 2469 O O . ASP A 1 316 ? -0.178 46.451 17.524 1.00 105.28 ? 1008 ASP A O 1 \nATOM 2470 C CB . ASP A 1 316 ? 0.682 49.099 15.220 1.00 123.41 ? 1008 ASP A CB 1 \nATOM 2471 C CG . ASP A 1 316 ? -0.499 49.949 15.690 1.00 120.55 ? 1008 ASP A CG 1 \nATOM 2472 O OD1 . ASP A 1 316 ? -1.629 49.728 15.200 1.00 80.53 ? 1008 ASP A OD1 1 \nATOM 2473 O OD2 . ASP A 1 316 ? -0.301 50.839 16.547 1.00 117.47 ? 1008 ASP A OD2 1 \nATOM 2474 N N . ASP A 1 317 ? -0.672 46.641 15.333 1.00 102.23 ? 1009 ASP A N 1 \nATOM 2475 C CA . ASP A 1 317 ? -1.728 45.629 15.348 1.00 100.67 ? 1009 ASP A CA 1 \nATOM 2476 C C . ASP A 1 317 ? -1.355 44.501 14.390 1.00 93.72 ? 1009 ASP A C 1 \nATOM 2477 O O . ASP A 1 317 ? -1.402 44.671 13.165 1.00 74.22 ? 1009 ASP A O 1 \nATOM 2478 C CB . ASP A 1 317 ? -3.084 46.245 14.971 1.00 101.82 ? 1009 ASP A CB 1 \nATOM 2479 C CG . ASP A 1 317 ? -3.662 47.128 16.072 1.00 113.32 ? 1009 ASP A CG 1 \nATOM 2480 O OD1 . ASP A 1 317 ? -4.035 48.284 15.777 1.00 104.40 ? 1009 ASP A OD1 1 \nATOM 2481 O OD2 . ASP A 1 317 ? -3.754 46.668 17.231 1.00 113.63 ? 1009 ASP A OD2 1 \nATOM 2482 N N . VAL A 1 318 ? -0.985 43.353 14.957 1.00 93.07 ? 1010 VAL A N 1 \nATOM 2483 C CA . VAL A 1 318 ? -0.383 42.257 14.187 1.00 80.23 ? 1010 VAL A CA 1 \nATOM 2484 C C . VAL A 1 318 ? -1.136 40.925 14.278 1.00 79.25 ? 1010 VAL A C 1 \nATOM 2485 O O . VAL A 1 318 ? -1.857 40.676 15.248 1.00 78.35 ? 1010 VAL A O 1 \nATOM 2486 C CB . VAL A 1 318 ? 1.103 42.050 14.572 1.00 82.37 ? 1010 VAL A CB 1 \nATOM 2487 C CG1 . VAL A 1 318 ? 1.915 43.299 14.251 1.00 87.87 ? 1010 VAL A CG1 1 \nATOM 2488 C CG2 . VAL A 1 318 ? 1.248 41.678 16.045 1.00 79.77 ? 1010 VAL A CG2 1 \nATOM 2489 N N . VAL A 1 319 ? -0.963 40.087 13.251 1.00 68.99 ? 1011 VAL A N 1 \nATOM 2490 C CA . VAL A 1 319 ? -1.523 38.727 13.204 1.00 64.51 ? 1011 VAL A CA 1 \nATOM 2491 C C . VAL A 1 319 ? -0.404 37.704 12.973 1.00 77.21 ? 1011 VAL A C 1 \nATOM 2492 O O . VAL A 1 319 ? 0.322 37.780 11.976 1.00 67.63 ? 1011 VAL A O 1 \nATOM 2493 C CB . VAL A 1 319 ? -2.604 38.567 12.100 1.00 69.31 ? 1011 VAL A CB 1 \nATOM 2494 C CG1 . VAL A 1 319 ? -3.068 37.117 11.995 1.00 73.03 ? 1011 VAL A CG1 1 \nATOM 2495 C CG2 . VAL A 1 319 ? -3.800 39.476 12.359 1.00 60.85 ? 1011 VAL A CG2 1 \nATOM 2496 N N . ASP A 1 320 ? -0.283 36.751 13.898 1.00 78.10 ? 1012 ASP A N 1 \nATOM 2497 C CA . ASP A 1 320 ? 0.709 35.675 13.829 1.00 78.78 ? 1012 ASP A CA 1 \nATOM 2498 C C . ASP A 1 320 ? 0.619 34.932 12.495 1.00 74.28 ? 1012 ASP A C 1 \nATOM 2499 O O . ASP A 1 320 ? -0.485 34.665 12.006 1.00 66.35 ? 1012 ASP A O 1 \nATOM 2500 C CB . ASP A 1 320 ? 0.493 34.703 14.996 1.00 81.42 ? 1012 ASP A CB 1 \nATOM 2501 C CG . ASP A 1 320 ? 1.685 33.798 15.237 1.00 99.02 ? 1012 ASP A CG 1 \nATOM 2502 O OD1 . ASP A 1 320 ? 2.690 34.271 15.810 1.00 104.15 ? 1012 ASP A OD1 1 \nATOM 2503 O OD2 . ASP A 1 320 ? 1.608 32.606 14.874 1.00 101.05 ? 1012 ASP A OD2 1 \nATOM 2504 N N . ALA A 1 321 ? 1.772 34.604 11.907 1.00 52.96 ? 1013 ALA A N 1 \nATOM 2505 C CA . ALA A 1 321 ? 1.813 33.912 10.605 1.00 59.48 ? 1013 ALA A CA 1 \nATOM 2506 C C . ALA A 1 321 ? 1.024 32.597 10.556 1.00 67.96 ? 1013 ALA A C 1 \nATOM 2507 O O . ALA A 1 321 ? 0.465 32.243 9.508 1.00 66.31 ? 1013 ALA A O 1 \nATOM 2508 C CB . ALA A 1 321 ? 3.243 33.702 10.139 1.00 62.75 ? 1013 ALA A CB 1 \nATOM 2509 N N . ASP A 1 322 ? 0.985 31.884 11.684 1.00 59.70 ? 1014 ASP A N 1 \nATOM 2510 C CA . ASP A 1 322 ? 0.200 30.654 11.812 1.00 74.24 ? 1014 ASP A CA 1 \nATOM 2511 C C . ASP A 1 322 ? -1.300 30.913 11.667 1.00 74.57 ? 1014 ASP A C 1 \nATOM 2512 O O . ASP A 1 322 ? -2.018 30.130 11.040 1.00 82.55 ? 1014 ASP A O 1 \nATOM 2513 C CB . ASP A 1 322 ? 0.476 29.981 13.160 1.00 83.80 ? 1014 ASP A CB 1 \nATOM 2514 C CG . ASP A 1 322 ? 1.930 29.578 13.328 1.00 86.76 ? 1014 ASP A CG 1 \nATOM 2515 O OD1 . ASP A 1 322 ? 2.458 29.709 14.454 1.00 96.46 ? 1014 ASP A OD1 1 \nATOM 2516 O OD2 . ASP A 1 322 ? 2.546 29.131 12.339 1.00 92.15 ? 1014 ASP A OD2 1 \nATOM 2517 N N . GLU A 1 323 ? -1.762 32.013 12.255 1.00 69.63 ? 1015 GLU A N 1 \nATOM 2518 C CA . GLU A 1 323 ? -3.169 32.406 12.205 1.00 84.01 ? 1015 GLU A CA 1 \nATOM 2519 C C . GLU A 1 323 ? -3.563 32.965 10.830 1.00 81.26 ? 1015 GLU A C 1 \nATOM 2520 O O . GLU A 1 323 ? -4.711 32.817 10.401 1.00 75.65 ? 1015 GLU A O 1 \nATOM 2521 C CB . GLU A 1 323 ? -3.466 33.432 13.304 1.00 89.15 ? 1015 GLU A CB 1 \nATOM 2522 C CG . GLU A 1 323 ? -4.941 33.592 13.645 1.00 106.04 ? 1015 GLU A CG 1 \nATOM 2523 C CD . GLU A 1 323 ? -5.193 34.639 14.717 1.00 119.25 ? 1015 GLU A CD 1 \nATOM 2524 O OE1 . GLU A 1 323 ? -4.251 34.982 15.465 1.00 124.44 ? 1015 GLU A OE1 1 \nATOM 2525 O OE2 . GLU A 1 323 ? -6.342 35.119 14.814 1.00 124.84 ? 1015 GLU A OE2 1 \nATOM 2526 N N . TYR A 1 324 ? -2.609 33.605 10.154 1.00 71.06 ? 1016 TYR A N 1 \nATOM 2527 C CA . TYR A 1 324 ? -2.825 34.180 8.825 1.00 72.33 ? 1016 TYR A CA 1 \nATOM 2528 C C . TYR A 1 324 ? -2.791 33.132 7.709 1.00 74.97 ? 1016 TYR A C 1 \nATOM 2529 O O . TYR A 1 324 ? -3.570 33.223 6.756 1.00 81.17 ? 1016 TYR A O 1 \nATOM 2530 C CB . TYR A 1 324 ? -1.810 35.297 8.549 1.00 84.93 ? 1016 TYR A CB 1 \nATOM 2531 C CG . TYR A 1 324 ? -1.665 35.681 7.088 1.00 86.99 ? 1016 TYR A CG 1 \nATOM 2532 C CD1 . TYR A 1 324 ? -0.805 34.974 6.243 1.00 91.38 ? 1016 TYR A CD1 1 \nATOM 2533 C CD2 . TYR A 1 324 ? -2.379 36.754 6.552 1.00 79.32 ? 1016 TYR A CD2 1 \nATOM 2534 C CE1 . TYR A 1 324 ? -0.668 35.316 4.908 1.00 95.57 ? 1016 TYR A CE1 1 \nATOM 2535 C CE2 . TYR A 1 324 ? -2.244 37.108 5.217 1.00 82.46 ? 1016 TYR A CE2 1 \nATOM 2536 C CZ . TYR A 1 324 ? -1.387 36.385 4.400 1.00 97.13 ? 1016 TYR A CZ 1 \nATOM 2537 O OH . TYR A 1 324 ? -1.236 36.717 3.072 1.00 93.34 ? 1016 TYR A OH 1 \nATOM 2538 N N . LEU A 1 325 ? -1.889 32.157 7.823 1.00 79.31 ? 1017 LEU A N 1 \nATOM 2539 C CA . LEU A 1 325 ? -1.752 31.089 6.826 1.00 78.37 ? 1017 LEU A CA 1 \nATOM 2540 C C . LEU A 1 325 ? -2.418 29.794 7.290 1.00 79.78 ? 1017 LEU A C 1 \nATOM 2541 O O . LEU A 1 325 ? -3.584 29.532 6.982 1.00 86.61 ? 1017 LEU A O 1 \nATOM 2542 C CB . LEU A 1 325 ? -0.272 30.850 6.492 1.00 96.14 ? 1017 LEU A CB 1 \nATOM 2543 C CG . LEU A 1 325 ? 0.143 29.601 5.697 1.00 116.26 ? 1017 LEU A CG 1 \nATOM 2544 C CD1 . LEU A 1 325 ? -0.313 29.652 4.243 1.00 121.68 ? 1017 LEU A CD1 1 \nATOM 2545 C CD2 . LEU A 1 325 ? 1.648 29.383 5.783 1.00 110.27 ? 1017 LEU A CD2 1 \nHETATM 2546 C C1 . W32 B 2 . ? 17.523 28.990 5.798 1.00 31.51 ? 1101 W32 A C1 1 \nHETATM 2547 C C2 . W32 B 2 . ? 16.291 28.418 6.080 1.00 30.31 ? 1101 W32 A C2 1 \nHETATM 2548 C C3 . W32 B 2 . ? 17.399 32.400 11.069 1.00 27.58 ? 1101 W32 A C3 1 \nHETATM 2549 C C4 . W32 B 2 . ? 17.766 30.265 6.269 1.00 29.96 ? 1101 W32 A C4 1 \nHETATM 2550 C C5 . W32 B 2 . ? 17.620 31.995 9.772 1.00 28.42 ? 1101 W32 A C5 1 \nHETATM 2551 C C6 . W32 B 2 . ? 15.605 30.408 7.268 1.00 28.58 ? 1101 W32 A C6 1 \nHETATM 2552 C C7 . W32 B 2 . ? 15.786 33.991 10.313 1.00 27.15 ? 1101 W32 A C7 1 \nHETATM 2553 C C8 . W32 B 2 . ? 12.748 33.566 13.379 1.00 31.64 ? 1101 W32 A C8 1 \nHETATM 2554 C C9 . W32 B 2 . ? 14.942 34.492 14.574 1.00 35.19 ? 1101 W32 A C9 1 \nHETATM 2555 C C10 . W32 B 2 . ? 15.370 29.134 6.809 1.00 25.91 ? 1101 W32 A C10 1 \nHETATM 2556 C C11 . W32 B 2 . ? 16.480 33.398 11.352 1.00 28.93 ? 1101 W32 A C11 1 \nHETATM 2557 C C12 . W32 B 2 . ? 16.830 30.965 6.994 1.00 32.48 ? 1101 W32 A C12 1 \nHETATM 2558 C C13 . W32 B 2 . ? 16.923 32.597 8.743 1.00 27.90 ? 1101 W32 A C13 1 \nHETATM 2559 C C14 . W32 B 2 . ? 15.995 33.592 9.009 1.00 29.12 ? 1101 W32 A C14 1 \nHETATM 2560 C C15 . W32 B 2 . ? 13.699 34.562 15.192 1.00 29.35 ? 1101 W32 A C15 1 \nHETATM 2561 C C16 . W32 B 2 . ? 14.989 33.935 13.305 1.00 35.49 ? 1101 W32 A C16 1 \nHETATM 2562 C C17 . W32 B 2 . ? 16.163 35.029 15.170 1.00 34.55 ? 1101 W32 A C17 1 \nHETATM 2563 C C18 . W32 B 2 . ? 16.443 35.196 16.465 1.00 31.64 ? 1101 W32 A C18 1 \nHETATM 2564 C C19 . W32 B 2 . ? 17.734 35.864 16.810 1.00 41.85 ? 1101 W32 A C19 1 \nHETATM 2565 C C20 . W32 B 2 . ? 15.566 34.815 17.582 1.00 34.23 ? 1101 W32 A C20 1 \nHETATM 2566 C C21 . W32 B 2 . ? 14.310 35.640 17.409 1.00 33.52 ? 1101 W32 A C21 1 \nHETATM 2567 C C22 . W32 B 2 . ? 23.039 35.053 18.700 1.00 86.61 ? 1101 W32 A C22 1 \nHETATM 2568 C C23 . W32 B 2 . ? 20.048 36.322 16.157 1.00 53.53 ? 1101 W32 A C23 1 \nHETATM 2569 C C24 . W32 B 2 . ? 20.735 35.538 17.258 1.00 62.21 ? 1101 W32 A C24 1 \nHETATM 2570 C C25 . W32 B 2 . ? 14.038 28.522 7.120 1.00 27.55 ? 1101 W32 A C25 1 \nHETATM 2571 N N26 . W32 B 2 . ? 12.598 34.091 14.590 1.00 29.72 ? 1101 W32 A N26 1 \nHETATM 2572 N N27 . W32 B 2 . ? 13.891 33.461 12.695 1.00 32.32 ? 1101 W32 A N27 1 \nHETATM 2573 N N28 . W32 B 2 . ? 13.391 35.060 16.456 1.00 30.86 ? 1101 W32 A N28 1 \nHETATM 2574 N N29 . W32 B 2 . ? 16.248 33.857 12.650 1.00 28.23 ? 1101 W32 A N29 1 \nHETATM 2575 N N30 . W32 B 2 . ? 18.733 35.791 15.867 1.00 40.18 ? 1101 W32 A N30 1 \nHETATM 2576 O O31 . W32 B 2 . ? 17.835 36.482 17.860 1.00 50.74 ? 1101 W32 A O31 1 \nHETATM 2577 O O32 . W32 B 2 . ? 23.066 36.437 16.489 1.00 63.85 ? 1101 W32 A O32 1 \nHETATM 2578 O O33 . W32 B 2 . ? 21.997 37.443 18.557 1.00 81.42 ? 1101 W32 A O33 1 \nHETATM 2579 O O34 . W32 B 2 . ? 17.118 32.249 7.424 1.00 30.16 ? 1101 W32 A O34 1 \nHETATM 2580 F F35 . W32 B 2 . ? 14.097 27.611 8.115 1.00 35.13 ? 1101 W32 A F35 1 \nHETATM 2581 F F36 . W32 B 2 . ? 13.166 29.438 7.562 1.00 34.11 ? 1101 W32 A F36 1 \nHETATM 2582 F F37 . W32 B 2 . ? 13.559 27.856 6.039 1.00 32.07 ? 1101 W32 A F37 1 \nHETATM 2583 S S38 . W32 B 2 . ? 22.276 36.305 17.700 1.00 84.11 ? 1101 W32 A S38 1 \nHETATM 2584 CL CL1 . W32 B 2 . ? 15.137 34.343 7.702 1.00 34.16 ? 1101 W32 A CL1 1 \nHETATM 2585 S S . SO4 C 3 . ? 28.315 33.136 22.172 1.00 54.09 ? 1102 SO4 A S 1 \nHETATM 2586 O O1 . SO4 C 3 . ? 27.668 33.301 20.863 1.00 50.36 ? 1102 SO4 A O1 1 \nHETATM 2587 O O2 . SO4 C 3 . ? 29.746 33.509 22.064 1.00 60.30 ? 1102 SO4 A O2 1 \nHETATM 2588 O O3 . SO4 C 3 . ? 28.196 31.721 22.585 1.00 45.28 ? 1102 SO4 A O3 1 \nHETATM 2589 O O4 . SO4 C 3 . ? 27.636 33.973 23.182 1.00 70.80 ? 1102 SO4 A O4 1 \nHETATM 2590 O O . HOH D 4 . ? 18.952 33.681 13.748 1.00 30.72 ? 2001 HOH A O 1 \nHETATM 2591 O O . HOH D 4 . ? 35.442 12.036 9.937 1.00 30.09 ? 2002 HOH A O 1 \nHETATM 2592 O O . HOH D 4 . ? 24.978 20.704 10.598 1.00 31.13 ? 2003 HOH A O 1 \nHETATM 2593 O O . HOH D 4 . ? 34.337 20.372 15.165 1.00 28.11 ? 2004 HOH A O 1 \nHETATM 2594 O O . HOH D 4 . ? 6.509 21.354 -6.071 1.00 29.38 ? 2005 HOH A O 1 \nHETATM 2595 O O . HOH D 4 . ? 26.485 18.720 8.106 1.00 30.82 ? 2006 HOH A O 1 \nHETATM 2596 O O . HOH D 4 . ? 20.845 10.119 9.908 1.00 30.60 ? 2007 HOH A O 1 \nHETATM 2597 O O . HOH D 4 . ? 17.257 9.102 9.766 1.00 32.20 ? 2008 HOH A O 1 \nHETATM 2598 O O . HOH D 4 . ? 36.130 7.683 16.487 1.00 38.69 ? 2009 HOH A O 1 \nHETATM 2599 O O . HOH D 4 . ? 13.664 30.957 11.228 1.00 31.50 ? 2010 HOH A O 1 \nHETATM 2600 O O . HOH D 4 . ? 23.367 25.952 6.551 1.00 37.12 ? 2011 HOH A O 1 \nHETATM 2601 O O . HOH D 4 . ? 30.886 28.537 28.215 1.00 40.46 ? 2012 HOH A O 1 \nHETATM 2602 O O . HOH D 4 . ? 32.756 19.653 17.155 1.00 28.58 ? 2013 HOH A O 1 \nHETATM 2603 O O . HOH D 4 . ? 21.686 36.822 -11.628 1.00 56.11 ? 2014 HOH A O 1 \nHETATM 2604 O O . HOH D 4 . ? 39.487 7.019 16.025 1.00 50.43 ? 2015 HOH A O 1 \nHETATM 2605 O O . HOH D 4 . ? 24.717 27.461 19.113 1.00 29.62 ? 2016 HOH A O 1 \nHETATM 2606 O O . HOH D 4 . ? 26.919 27.315 22.960 1.00 32.92 ? 2017 HOH A O 1 \nHETATM 2607 O O . HOH D 4 . ? 21.677 19.209 0.486 1.00 37.84 ? 2018 HOH A O 1 \nHETATM 2608 O O . HOH D 4 . ? 8.443 31.994 19.416 1.00 35.04 ? 2019 HOH A O 1 \nHETATM 2609 O O . HOH D 4 . ? 17.135 42.163 -0.961 1.00 57.68 ? 2020 HOH A O 1 \nHETATM 2610 O O . HOH D 4 . ? 36.632 30.489 18.215 1.00 60.99 ? 2021 HOH A O 1 \nHETATM 2611 O O . HOH D 4 . ? 33.379 16.584 20.716 1.00 38.49 ? 2022 HOH A O 1 \nHETATM 2612 O O . HOH D 4 . ? 25.300 19.757 32.915 1.00 32.97 ? 2023 HOH A O 1 \nHETATM 2613 O O . HOH D 4 . ? 33.014 27.649 15.526 1.00 36.60 ? 2024 HOH A O 1 \nHETATM 2614 O O . HOH D 4 . ? 33.617 10.243 19.744 1.00 33.88 ? 2025 HOH A O 1 \nHETATM 2615 O O . HOH D 4 . ? 7.754 30.842 8.414 1.00 40.67 ? 2026 HOH A O 1 \nHETATM 2616 O O . HOH D 4 . ? 10.668 30.874 11.297 1.00 33.82 ? 2027 HOH A O 1 \nHETATM 2617 O O . HOH D 4 . ? 26.832 24.553 13.022 1.00 39.16 ? 2028 HOH A O 1 \nHETATM 2618 O O . HOH D 4 . ? 21.042 33.463 11.806 1.00 38.83 ? 2029 HOH A O 1 \nHETATM 2619 O O . HOH D 4 . ? 7.739 23.297 8.108 1.00 42.86 ? 2030 HOH A O 1 \nHETATM 2620 O O . HOH D 4 . ? 10.905 13.095 11.221 1.00 32.44 ? 2031 HOH A O 1 \nHETATM 2621 O O . HOH D 4 . ? 12.309 6.679 14.280 1.00 40.84 ? 2032 HOH A O 1 \nHETATM 2622 O O . HOH D 4 . ? 6.371 16.396 8.444 1.00 42.41 ? 2033 HOH A O 1 \nHETATM 2623 O O . HOH D 4 . ? 11.382 8.774 7.622 1.00 36.18 ? 2034 HOH A O 1 \nHETATM 2624 O O . HOH D 4 . ? 37.978 12.473 9.028 1.00 37.99 ? 2035 HOH A O 1 \nHETATM 2625 O O . HOH D 4 . ? 26.334 29.616 19.096 1.00 35.40 ? 2036 HOH A O 1 \nHETATM 2626 O O . HOH D 4 . ? 28.085 29.293 21.311 1.00 33.80 ? 2037 HOH A O 1 \nHETATM 2627 O O . HOH D 4 . ? 29.678 19.189 9.597 1.00 38.78 ? 2038 HOH A O 1 \nHETATM 2628 O O . HOH D 4 . ? 18.829 31.034 14.369 1.00 42.03 ? 2039 HOH A O 1 \nHETATM 2629 O O . HOH D 4 . ? 38.239 13.151 6.193 1.00 35.39 ? 2040 HOH A O 1 \nHETATM 2630 O O . HOH D 4 . ? 42.253 18.534 4.456 1.00 39.85 ? 2041 HOH A O 1 \nHETATM 2631 O O . HOH D 4 . ? 35.880 6.018 8.596 1.00 41.37 ? 2042 HOH A O 1 \nHETATM 2632 O O . HOH D 4 . ? 6.868 14.238 27.659 1.00 57.08 ? 2043 HOH A O 1 \nHETATM 2633 O O . HOH D 4 . ? 25.840 9.403 3.926 1.00 37.52 ? 2044 HOH A O 1 \nHETATM 2634 O O . HOH D 4 . ? 23.916 10.923 4.843 1.00 36.39 ? 2045 HOH A O 1 \nHETATM 2635 O O . HOH D 4 . ? 22.297 9.245 6.744 1.00 32.79 ? 2046 HOH A O 1 \nHETATM 2636 O O . HOH D 4 . ? 25.735 6.067 7.008 1.00 36.43 ? 2047 HOH A O 1 \nHETATM 2637 O O . HOH D 4 . ? 25.275 3.366 7.768 1.00 39.99 ? 2048 HOH A O 1 \nHETATM 2638 O O . HOH D 4 . ? 31.874 2.778 6.260 1.00 50.43 ? 2049 HOH A O 1 \nHETATM 2639 O O . HOH D 4 . ? 35.219 5.807 14.085 1.00 38.24 ? 2050 HOH A O 1 \nHETATM 2640 O O . HOH D 4 . ? 21.161 14.370 0.807 1.00 42.08 ? 2051 HOH A O 1 \nHETATM 2641 O O . HOH D 4 . ? 23.868 13.162 2.145 1.00 37.79 ? 2052 HOH A O 1 \nHETATM 2642 O O . HOH D 4 . ? 17.291 14.374 37.680 1.00 50.83 ? 2053 HOH A O 1 \nHETATM 2643 O O . HOH D 4 . ? 34.232 13.602 30.125 1.00 38.30 ? 2054 HOH A O 1 \nHETATM 2644 O O . HOH D 4 . ? 24.841 32.749 10.356 1.00 44.08 ? 2055 HOH A O 1 \nHETATM 2645 O O . HOH D 4 . ? 29.807 17.978 0.516 1.00 38.25 ? 2056 HOH A O 1 \nHETATM 2646 O O . HOH D 4 . ? 6.362 17.239 3.587 1.00 38.89 ? 2057 HOH A O 1 \nHETATM 2647 O O . HOH D 4 . ? 44.102 21.764 13.753 1.00 42.91 ? 2058 HOH A O 1 \nHETATM 2648 O O . HOH D 4 . ? 34.739 22.287 26.071 1.00 41.30 ? 2059 HOH A O 1 \nHETATM 2649 O O . HOH D 4 . ? 19.809 15.737 8.120 1.00 39.13 ? 2060 HOH A O 1 \nHETATM 2650 O O . HOH D 4 . ? 34.786 23.238 5.336 1.00 41.49 ? 2061 HOH A O 1 \nHETATM 2651 O O . HOH D 4 . ? 11.549 4.709 21.682 1.00 43.83 ? 2062 HOH A O 1 \nHETATM 2652 O O . HOH D 4 . ? 32.328 28.947 -3.320 1.00 46.43 ? 2063 HOH A O 1 \nHETATM 2653 O O . HOH D 4 . ? 15.198 32.353 23.952 1.00 39.56 ? 2064 HOH A O 1 \nHETATM 2654 O O . HOH D 4 . ? 27.994 8.896 5.683 1.00 34.43 ? 2065 HOH A O 1 \nHETATM 2655 O O . HOH D 4 . ? 7.938 16.137 22.485 1.00 51.73 ? 2066 HOH A O 1 \nHETATM 2656 O O . HOH D 4 . ? 6.882 48.187 -5.358 1.00 52.22 ? 2067 HOH A O 1 \nHETATM 2657 O O . HOH D 4 . ? 7.809 14.973 13.054 1.00 45.62 ? 2068 HOH A O 1 \nHETATM 2658 O O . HOH D 4 . ? 9.129 11.157 13.552 1.00 51.16 ? 2069 HOH A O 1 \nHETATM 2659 O O . HOH D 4 . ? 8.607 28.931 10.382 1.00 44.69 ? 2070 HOH A O 1 \nHETATM 2660 O O . HOH D 4 . ? 17.819 11.733 38.870 1.00 43.75 ? 2071 HOH A O 1 \nHETATM 2661 O O . HOH D 4 . ? 19.521 9.398 3.628 1.00 43.64 ? 2072 HOH A O 1 \nHETATM 2662 O O . HOH D 4 . ? 32.704 24.308 4.378 1.00 40.08 ? 2073 HOH A O 1 \nHETATM 2663 O O . HOH D 4 . ? 40.870 23.271 12.777 1.00 44.98 ? 2074 HOH A O 1 \nHETATM 2664 O O . HOH D 4 . ? 7.122 11.266 27.389 1.00 56.70 ? 2075 HOH A O 1 \nHETATM 2665 O O . HOH D 4 . ? 43.891 19.989 6.225 1.00 53.70 ? 2076 HOH A O 1 \nHETATM 2666 O O . HOH D 4 . ? 30.592 29.461 20.862 1.00 40.74 ? 2077 HOH A O 1 \nHETATM 2667 O O . HOH D 4 . ? 43.928 19.888 24.129 1.00 59.50 ? 2078 HOH A O 1 \nHETATM 2668 O O . HOH D 4 . ? 28.233 24.649 -1.481 1.00 49.45 ? 2079 HOH A O 1 \nHETATM 2669 O O . HOH D 4 . ? 37.537 9.737 20.442 1.00 49.24 ? 2080 HOH A O 1 \nHETATM 2670 O O . HOH D 4 . ? 26.400 4.566 16.784 1.00 49.49 ? 2081 HOH A O 1 \nHETATM 2671 O O . HOH D 4 . ? 9.514 5.252 19.588 1.00 60.51 ? 2082 HOH A O 1 \n# \nloop_\n_atom_site_anisotrop.id \n_atom_site_anisotrop.type_symbol \n_atom_site_anisotrop.pdbx_label_atom_id \n_atom_site_anisotrop.pdbx_label_alt_id \n_atom_site_anisotrop.pdbx_label_comp_id \n_atom_site_anisotrop.pdbx_label_asym_id \n_atom_site_anisotrop.pdbx_label_seq_id \n_atom_site_anisotrop.pdbx_PDB_ins_code \n_atom_site_anisotrop.U[1][1] \n_atom_site_anisotrop.U[2][2] \n_atom_site_anisotrop.U[3][3] \n_atom_site_anisotrop.U[1][2] \n_atom_site_anisotrop.U[1][3] \n_atom_site_anisotrop.U[2][3] \n_atom_site_anisotrop.pdbx_auth_seq_id \n_atom_site_anisotrop.pdbx_auth_comp_id \n_atom_site_anisotrop.pdbx_auth_asym_id \n_atom_site_anisotrop.pdbx_auth_atom_id \n1 N N . GLN A 9 ? 0.5420 0.5609 0.7188 0.0196 -0.0946 0.0018 701 GLN A N \n2 C CA . GLN A 9 ? 0.5718 0.6034 0.7606 0.0189 -0.0889 0.0026 701 GLN A CA \n3 C C . GLN A 9 ? 0.5291 0.5587 0.7054 0.0136 -0.0837 0.0025 701 GLN A C \n4 O O . GLN A 9 ? 0.5250 0.5624 0.7078 0.0121 -0.0798 0.0032 701 GLN A O \n5 C CB . GLN A 9 ? 0.7425 0.7772 0.9441 0.0183 -0.0959 0.0044 701 GLN A CB \n6 C CG . GLN A 9 ? 0.9845 1.0353 1.2070 0.0212 -0.0913 0.0051 701 GLN A CG \n7 C CD . GLN A 9 ? 1.2016 1.2555 1.4362 0.0193 -0.0983 0.0073 701 GLN A CD \n8 O OE1 . GLN A 9 ? 1.1085 1.1671 1.3582 0.0228 -0.1033 0.0080 701 GLN A OE1 \n9 N NE2 . GLN A 9 ? 1.1782 1.2293 1.4064 0.0139 -0.0989 0.0084 701 GLN A NE2 \n10 N N . ALA A 10 ? 0.5196 0.5388 0.6783 0.0110 -0.0835 0.0016 702 ALA A N \n11 C CA . ALA A 10 ? 0.4921 0.5092 0.6387 0.0066 -0.0783 0.0012 702 ALA A CA \n12 C C . ALA A 10 ? 0.5473 0.5756 0.7003 0.0082 -0.0688 0.0005 702 ALA A C \n13 O O . ALA A 10 ? 0.4974 0.5312 0.6570 0.0124 -0.0653 -0.0001 702 ALA A O \n14 C CB . ALA A 10 ? 0.4911 0.4965 0.6197 0.0041 -0.0793 0.0005 702 ALA A CB \n15 N N . LEU A 11 ? 0.4239 0.4548 0.5741 0.0049 -0.0649 0.0006 703 LEU A N \n16 C CA . LEU A 11 ? 0.4156 0.4550 0.5689 0.0058 -0.0563 0.0000 703 LEU A CA \n17 C C . LEU A 11 ? 0.4192 0.4552 0.5621 0.0060 -0.0523 -0.0012 703 LEU A C \n18 O O . LEU A 11 ? 0.4334 0.4749 0.5807 0.0091 -0.0473 -0.0019 703 LEU A O \n19 C CB . LEU A 11 ? 0.3930 0.4338 0.5436 0.0021 -0.0540 0.0002 703 LEU A CB \n20 C CG . LEU A 11 ? 0.5234 0.5745 0.6820 0.0032 -0.0469 0.0001 703 LEU A CG \n21 C CD1 . LEU A 11 ? 0.5515 0.6118 0.7256 0.0071 -0.0456 0.0008 703 LEU A CD1 \n22 C CD2 . LEU A 11 ? 0.4888 0.5405 0.6470 0.0000 -0.0470 0.0007 703 LEU A CD2 \n23 N N . LEU A 12 ? 0.3764 0.4028 0.5052 0.0025 -0.0546 -0.0015 704 LEU A N \n24 C CA . LEU A 12 ? 0.3710 0.3925 0.4891 0.0020 -0.0524 -0.0024 704 LEU A CA \n25 C C . LEU A 12 ? 0.3995 0.4124 0.5132 0.0031 -0.0588 -0.0022 704 LEU A C \n26 O O . LEU A 12 ? 0.4022 0.4059 0.5070 0.0000 -0.0643 -0.0017 704 LEU A O \n27 C CB . LEU A 12 ? 0.3820 0.3990 0.4875 -0.0028 -0.0503 -0.0028 704 LEU A CB \n28 C CG . LEU A 12 ? 0.4517 0.4647 0.5466 -0.0044 -0.0477 -0.0034 704 LEU A CG \n29 C CD1 . LEU A 12 ? 0.3941 0.4144 0.4944 -0.0015 -0.0418 -0.0040 704 LEU A CD1 \n30 C CD2 . LEU A 12 ? 0.4643 0.4734 0.5479 -0.0094 -0.0458 -0.0037 704 LEU A CD2 \n31 N N . ARG A 13 ? 0.4031 0.4183 0.5225 0.0076 -0.0582 -0.0027 705 ARG A N \n32 C CA . ARG A 13 ? 0.4373 0.4437 0.5524 0.0093 -0.0645 -0.0027 705 ARG A CA \n33 C C . ARG A 13 ? 0.4882 0.4845 0.5869 0.0059 -0.0653 -0.0029 705 ARG A C \n34 O O . ARG A 13 ? 0.4859 0.4841 0.5800 0.0050 -0.0597 -0.0034 705 ARG A O \n35 C CB . ARG A 13 ? 0.5446 0.5561 0.6704 0.0157 -0.0635 -0.0034 705 ARG A CB \n36 C CG . ARG A 13 ? 0.5619 0.5820 0.7045 0.0191 -0.0647 -0.0029 705 ARG A CG \n37 C CD . ARG A 13 ? 0.7699 0.7979 0.9236 0.0253 -0.0604 -0.0039 705 ARG A CD \n38 N NE . ARG A 13 ? 1.0335 1.0620 1.1977 0.0299 -0.0658 -0.0039 705 ARG A NE \n39 C CZ . ARG A 13 ? 1.1062 1.1447 1.2872 0.0325 -0.0657 -0.0033 705 ARG A CZ \n40 N NH1 . ARG A 13 ? 1.1689 1.2171 1.3574 0.0307 -0.0606 -0.0026 705 ARG A NH1 \n41 N NH2 . ARG A 13 ? 1.0971 1.1359 1.2879 0.0370 -0.0711 -0.0035 705 ARG A NH2 \n42 N N . ILE A 14 ? 0.4766 0.4618 0.5663 0.0037 -0.0725 -0.0023 706 ILE A N \n43 C CA . ILE A 14 ? 0.5346 0.5092 0.6083 0.0000 -0.0739 -0.0022 706 ILE A CA \n44 C C . ILE A 14 ? 0.5844 0.5540 0.6582 0.0043 -0.0776 -0.0026 706 ILE A C \n45 O O . ILE A 14 ? 0.5473 0.5111 0.6227 0.0063 -0.0849 -0.0023 706 ILE A O \n46 C CB . ILE A 14 ? 0.6555 0.6189 0.7171 -0.0052 -0.0798 -0.0012 706 ILE A CB \n47 C CG1 . ILE A 14 ? 0.6363 0.6039 0.6991 -0.0084 -0.0774 -0.0010 706 ILE A CG1 \n48 C CG2 . ILE A 14 ? 0.6817 0.6350 0.7265 -0.0098 -0.0802 -0.0009 706 ILE A CG2 \n49 C CD1 . ILE A 14 ? 0.5418 0.5176 0.6047 -0.0102 -0.0685 -0.0016 706 ILE A CD1 \n50 N N . LEU A 15 ? 0.5526 0.5242 0.6247 0.0058 -0.0729 -0.0033 707 LEU A N \n51 C CA . LEU A 15 ? 0.5596 0.5267 0.6320 0.0107 -0.0757 -0.0041 707 LEU A CA \n52 C C . LEU A 15 ? 0.6465 0.5998 0.7022 0.0070 -0.0803 -0.0035 707 LEU A C \n53 O O . LEU A 15 ? 0.6247 0.5756 0.6699 0.0014 -0.0776 -0.0029 707 LEU A O \n54 C CB . LEU A 15 ? 0.5854 0.5608 0.6642 0.0147 -0.0686 -0.0052 707 LEU A CB \n55 C CG . LEU A 15 ? 0.6627 0.6521 0.7566 0.0179 -0.0624 -0.0057 707 LEU A CG \n56 C CD1 . LEU A 15 ? 0.5197 0.5132 0.6153 0.0213 -0.0563 -0.0067 707 LEU A CD1 \n57 C CD2 . LEU A 15 ? 0.5352 0.5290 0.6428 0.0224 -0.0658 -0.0057 707 LEU A CD2 \n58 N N . LYS A 16 ? 0.6234 0.5679 0.6771 0.0102 -0.0874 -0.0037 708 LYS A N \n59 C CA . LYS A 16 ? 0.7895 0.7197 0.8274 0.0076 -0.0924 -0.0033 708 LYS A CA \n60 C C . LYS A 16 ? 0.6539 0.5843 0.6901 0.0106 -0.0888 -0.0042 708 LYS A C \n61 O O . LYS A 16 ? 0.5800 0.5184 0.6277 0.0170 -0.0853 -0.0056 708 LYS A O \n62 C CB . LYS A 16 ? 0.8027 0.7226 0.8395 0.0105 -0.1023 -0.0032 708 LYS A CB \n63 C CG . LYS A 16 ? 0.9974 0.9118 1.0307 0.0063 -0.1081 -0.0019 708 LYS A CG \n64 C CD . LYS A 16 ? 1.1801 1.0964 1.2267 0.0122 -0.1142 -0.0024 708 LYS A CD \n65 C CE . LYS A 16 ? 1.2334 1.1425 1.2810 0.0184 -0.1201 -0.0034 708 LYS A CE \n66 N NZ . LYS A 16 ? 1.2740 1.1877 1.3377 0.0248 -0.1251 -0.0040 708 LYS A NZ \n67 N N . GLU A 17 ? 0.6711 0.5923 0.6924 0.0058 -0.0897 -0.0034 709 GLU A N \n68 C CA . GLU A 17 ? 0.6996 0.6184 0.7165 0.0077 -0.0874 -0.0040 709 GLU A CA \n69 C C . GLU A 17 ? 0.7493 0.6645 0.7710 0.0160 -0.0908 -0.0057 709 GLU A C \n70 O O . GLU A 17 ? 0.6931 0.6115 0.7176 0.0203 -0.0865 -0.0070 709 GLU A O \n71 C CB . GLU A 17 ? 0.7825 0.6893 0.7817 0.0007 -0.0904 -0.0025 709 GLU A CB \n72 C CG . GLU A 17 ? 0.9433 0.8557 0.9387 -0.0067 -0.0849 -0.0012 709 GLU A CG \n73 C CD . GLU A 17 ? 1.2260 1.1279 1.2053 -0.0138 -0.0871 0.0004 709 GLU A CD \n74 O OE1 . GLU A 17 ? 1.0992 1.0038 1.0763 -0.0157 -0.0830 0.0006 709 GLU A OE1 \n75 O OE2 . GLU A 17 ? 1.3467 1.2373 1.3152 -0.0178 -0.0933 0.0015 709 GLU A OE2 \n76 N N . THR A 18 ? 0.7519 0.6602 0.7742 0.0185 -0.0984 -0.0058 710 THR A N \n77 C CA . THR A 18 ? 0.7982 0.7034 0.8264 0.0270 -0.1020 -0.0076 710 THR A CA \n78 C C . THR A 18 ? 0.6977 0.6180 0.7450 0.0341 -0.0960 -0.0093 710 THR A C \n79 O O . THR A 18 ? 0.7409 0.6612 0.7941 0.0417 -0.0962 -0.0111 710 THR A O \n80 C CB . THR A 18 ? 0.8306 0.7247 0.8558 0.0278 -0.1125 -0.0073 710 THR A CB \n81 O OG1 . THR A 18 ? 0.8246 0.7251 0.8581 0.0258 -0.1136 -0.0064 710 THR A OG1 \n82 C CG2 . THR A 18 ? 0.8237 0.7009 0.8285 0.0213 -0.1189 -0.0057 710 THR A CG2 \n83 N N . GLU A 19 ? 0.6396 0.5723 0.6959 0.0315 -0.0905 -0.0086 711 GLU A N \n84 C CA . GLU A 19 ? 0.7106 0.6578 0.7851 0.0369 -0.0850 -0.0096 711 GLU A CA \n85 C C . GLU A 19 ? 0.7201 0.6751 0.7975 0.0392 -0.0760 -0.0107 711 GLU A C \n86 O O . GLU A 19 ? 0.6446 0.6101 0.7356 0.0446 -0.0711 -0.0118 711 GLU A O \n87 C CB . GLU A 19 ? 0.7716 0.7278 0.8537 0.0328 -0.0834 -0.0083 711 GLU A CB \n88 C CG . GLU A 19 ? 0.7783 0.7312 0.8645 0.0327 -0.0914 -0.0076 711 GLU A CG \n89 C CD . GLU A 19 ? 0.7319 0.6940 0.8256 0.0290 -0.0891 -0.0064 711 GLU A CD \n90 O OE1 . GLU A 19 ? 0.6710 0.6268 0.7549 0.0226 -0.0923 -0.0050 711 GLU A OE1 \n91 O OE2 . GLU A 19 ? 0.9164 0.8915 1.0251 0.0323 -0.0839 -0.0068 711 GLU A OE2 \n92 N N . PHE A 20 ? 0.6126 0.5625 0.6772 0.0347 -0.0737 -0.0101 712 PHE A N \n93 C CA . PHE A 20 ? 0.6800 0.6359 0.7455 0.0360 -0.0658 -0.0109 712 PHE A CA \n94 C C . PHE A 20 ? 0.5750 0.5195 0.6252 0.0345 -0.0670 -0.0110 712 PHE A C \n95 O O . PHE A 20 ? 0.6289 0.5627 0.6669 0.0299 -0.0728 -0.0098 712 PHE A O \n96 C CB . PHE A 20 ? 0.5773 0.5442 0.6475 0.0312 -0.0596 -0.0098 712 PHE A CB \n97 C CG . PHE A 20 ? 0.5363 0.4987 0.5954 0.0230 -0.0611 -0.0082 712 PHE A CG \n98 C CD1 . PHE A 20 ? 0.6429 0.6038 0.6934 0.0194 -0.0577 -0.0077 712 PHE A CD1 \n99 C CD2 . PHE A 20 ? 0.5799 0.5395 0.6368 0.0188 -0.0658 -0.0070 712 PHE A CD2 \n100 C CE1 . PHE A 20 ? 0.5615 0.5195 0.6029 0.0119 -0.0584 -0.0062 712 PHE A CE1 \n101 C CE2 . PHE A 20 ? 0.5369 0.4926 0.5832 0.0113 -0.0663 -0.0056 712 PHE A CE2 \n102 C CZ . PHE A 20 ? 0.5934 0.5490 0.6327 0.0079 -0.0623 -0.0052 712 PHE A CZ \n103 N N . LYS A 21 ? 0.5851 0.5316 0.6355 0.0380 -0.0617 -0.0122 713 LYS A N \n104 C CA . LYS A 21 ? 0.5833 0.5185 0.6194 0.0373 -0.0630 -0.0123 713 LYS A CA \n105 C C . LYS A 21 ? 0.6357 0.5763 0.6708 0.0357 -0.0559 -0.0123 713 LYS A C \n106 O O . LYS A 21 ? 0.5776 0.5274 0.6223 0.0399 -0.0498 -0.0134 713 LYS A O \n107 C CB . LYS A 21 ? 0.6447 0.5718 0.6792 0.0452 -0.0657 -0.0145 713 LYS A CB \n108 C CG . LYS A 21 ? 0.7942 0.7120 0.8262 0.0470 -0.0744 -0.0146 713 LYS A CG \n109 C CD . LYS A 21 ? 1.0478 0.9594 1.0806 0.0561 -0.0762 -0.0172 713 LYS A CD \n110 C CE . LYS A 21 ? 0.9047 0.8099 0.9397 0.0592 -0.0846 -0.0176 713 LYS A CE \n111 N NZ . LYS A 21 ? 0.9764 0.8743 1.0113 0.0684 -0.0869 -0.0203 713 LYS A NZ \n112 N N . LYS A 22 ? 0.5503 0.4849 0.5736 0.0295 -0.0571 -0.0108 714 LYS A N \n113 C CA . LYS A 22 ? 0.5983 0.5351 0.6184 0.0278 -0.0520 -0.0106 714 LYS A CA \n114 C C . LYS A 22 ? 0.6513 0.5786 0.6641 0.0333 -0.0525 -0.0122 714 LYS A C \n115 O O . LYS A 22 ? 0.6188 0.5331 0.6207 0.0335 -0.0585 -0.0123 714 LYS A O \n116 C CB . LYS A 22 ? 0.6461 0.5793 0.6566 0.0193 -0.0539 -0.0085 714 LYS A CB \n117 C CG . LYS A 22 ? 0.6952 0.6366 0.7107 0.0133 -0.0530 -0.0070 714 LYS A CG \n118 C CD . LYS A 22 ? 0.6996 0.6380 0.7060 0.0055 -0.0538 -0.0050 714 LYS A CD \n119 C CE . LYS A 22 ? 0.6853 0.6286 0.6933 -0.0006 -0.0539 -0.0036 714 LYS A CE \n120 N NZ . LYS A 22 ? 0.6756 0.6102 0.6776 -0.0020 -0.0602 -0.0031 714 LYS A NZ \n121 N N . ILE A 23 ? 0.5442 0.4768 0.5619 0.0378 -0.0463 -0.0136 715 ILE A N \n122 C CA . ILE A 23 ? 0.6316 0.5552 0.6425 0.0440 -0.0459 -0.0155 715 ILE A CA \n123 C C . ILE A 23 ? 0.6970 0.6143 0.6965 0.0408 -0.0447 -0.0149 715 ILE A C \n124 O O . ILE A 23 ? 0.6679 0.5716 0.6544 0.0413 -0.0490 -0.0151 715 ILE A O \n125 C CB . ILE A 23 ? 0.5406 0.4724 0.5633 0.0520 -0.0400 -0.0178 715 ILE A CB \n126 C CG1 . ILE A 23 ? 0.7073 0.6422 0.7398 0.0555 -0.0433 -0.0184 715 ILE A CG1 \n127 C CG2 . ILE A 23 ? 0.6282 0.5509 0.6430 0.0584 -0.0381 -0.0200 715 ILE A CG2 \n128 C CD1 . ILE A 23 ? 0.6901 0.6334 0.7357 0.0635 -0.0382 -0.0205 715 ILE A CD1 \n129 N N . LYS A 24 ? 0.5733 0.5001 0.5776 0.0374 -0.0396 -0.0139 716 LYS A N \n130 C CA . LYS A 24 ? 0.5657 0.4877 0.5607 0.0338 -0.0389 -0.0130 716 LYS A CA \n131 C C . LYS A 24 ? 0.6018 0.5341 0.6025 0.0269 -0.0368 -0.0110 716 LYS A C \n132 O O . LYS A 24 ? 0.4912 0.4354 0.5038 0.0266 -0.0335 -0.0109 716 LYS A O \n133 C CB . LYS A 24 ? 0.5531 0.4736 0.5466 0.0395 -0.0335 -0.0148 716 LYS A CB \n134 C CG . LYS A 24 ? 0.6711 0.5791 0.6557 0.0463 -0.0353 -0.0170 716 LYS A CG \n135 C CD . LYS A 24 ? 0.6245 0.5165 0.5919 0.0436 -0.0409 -0.0163 716 LYS A CD \n136 C CE . LYS A 24 ? 0.6951 0.5734 0.6535 0.0494 -0.0453 -0.0182 716 LYS A CE \n137 N NZ . LYS A 24 ? 0.7803 0.6553 0.7373 0.0579 -0.0403 -0.0212 716 LYS A NZ \n138 N N . VAL A 25 ? 0.5479 0.4754 0.5403 0.0214 -0.0388 -0.0094 717 VAL A N \n139 C CA . VAL A 25 ? 0.5797 0.5165 0.5772 0.0155 -0.0366 -0.0077 717 VAL A CA \n140 C C . VAL A 25 ? 0.5679 0.5116 0.5711 0.0181 -0.0305 -0.0085 717 VAL A C \n141 O O . VAL A 25 ? 0.5561 0.4932 0.5533 0.0220 -0.0291 -0.0096 717 VAL A O \n142 C CB . VAL A 25 ? 0.6752 0.6053 0.6631 0.0090 -0.0408 -0.0057 717 VAL A CB \n143 C CG1 . VAL A 25 ? 0.6255 0.5664 0.6205 0.0036 -0.0382 -0.0043 717 VAL A CG1 \n144 C CG2 . VAL A 25 ? 0.6742 0.5969 0.6553 0.0054 -0.0469 -0.0046 717 VAL A CG2 \n145 N N . LEU A 26 ? 0.4854 0.4416 0.4993 0.0160 -0.0270 -0.0080 718 LEU A N \n146 C CA . LEU A 26 ? 0.4266 0.3884 0.4445 0.0169 -0.0220 -0.0082 718 LEU A CA \n147 C C . LEU A 26 ? 0.4798 0.4421 0.4950 0.0109 -0.0235 -0.0065 718 LEU A C \n148 O O . LEU A 26 ? 0.4640 0.4199 0.4720 0.0109 -0.0239 -0.0064 718 LEU A O \n149 C CB . LEU A 26 ? 0.4616 0.4357 0.4927 0.0189 -0.0172 -0.0088 718 LEU A CB \n150 C CG . LEU A 26 ? 0.4637 0.4379 0.4987 0.0254 -0.0155 -0.0105 718 LEU A CG \n151 C CD1 . LEU A 26 ? 0.4676 0.4540 0.5162 0.0267 -0.0118 -0.0107 718 LEU A CD1 \n152 C CD2 . LEU A 26 ? 0.5541 0.5213 0.5826 0.0304 -0.0128 -0.0119 718 LEU A CD2 \n153 N N . GLY A 27 ? 0.4649 0.4345 0.4857 0.0059 -0.0244 -0.0053 719 GLY A N \n154 C CA . GLY A 27 ? 0.5634 0.5350 0.5834 0.0002 -0.0257 -0.0037 719 GLY A CA \n155 C C . GLY A 27 ? 0.7203 0.7009 0.7474 -0.0045 -0.0258 -0.0027 719 GLY A C \n156 O O . GLY A 27 ? 0.6658 0.6516 0.6986 -0.0035 -0.0244 -0.0033 719 GLY A O \n157 N N . SER A 28 ? 0.6398 0.6221 0.6664 -0.0098 -0.0273 -0.0013 720 SER A N \n158 C CA . SER A 28 ? 0.6494 0.6406 0.6824 -0.0146 -0.0266 -0.0004 720 SER A CA \n159 C C . SER A 28 ? 0.6178 0.6193 0.6603 -0.0150 -0.0230 -0.0007 720 SER A C \n160 O O . SER A 28 ? 0.6850 0.6859 0.7279 -0.0127 -0.0220 -0.0010 720 SER A O \n161 C CB . SER A 28 ? 0.8048 0.7918 0.8320 -0.0206 -0.0306 0.0014 720 SER A CB \n162 O OG . SER A 28 ? 0.8620 0.8410 0.8816 -0.0214 -0.0339 0.0017 720 SER A OG \n163 N N . GLY A 29 ? 0.7044 0.7145 0.7535 -0.0178 -0.0213 -0.0006 721 GLY A N \n164 C CA . GLY A 29 ? 0.6960 0.7159 0.7542 -0.0182 -0.0182 -0.0010 721 GLY A CA \n165 C C . GLY A 29 ? 0.7718 0.7984 0.8338 -0.0230 -0.0176 -0.0004 721 GLY A C \n166 O O . GLY A 29 ? 0.7501 0.7733 0.8072 -0.0262 -0.0195 0.0004 721 GLY A O \n167 N N . ALA A 30 ? 0.8690 0.9047 0.9395 -0.0233 -0.0149 -0.0009 722 ALA A N \n168 C CA . ALA A 30 ? 0.8869 0.9301 0.9621 -0.0272 -0.0131 -0.0008 722 ALA A CA \n169 C C . ALA A 30 ? 0.8699 0.9124 0.9424 -0.0280 -0.0122 -0.0012 722 ALA A C \n170 O O . ALA A 30 ? 0.7110 0.7539 0.7811 -0.0325 -0.0124 -0.0004 722 ALA A O \n171 C CB . ALA A 30 ? 0.9124 0.9648 0.9971 -0.0259 -0.0102 -0.0019 722 ALA A CB \n172 N N . PHE A 31 ? 0.6621 0.7032 0.7351 -0.0240 -0.0114 -0.0024 723 PHE A N \n173 C CA . PHE A 31 ? 0.5373 0.5777 0.6084 -0.0245 -0.0110 -0.0028 723 PHE A CA \n174 C C . PHE A 31 ? 0.5787 0.6097 0.6414 -0.0245 -0.0145 -0.0021 723 PHE A C \n175 O O . PHE A 31 ? 0.5892 0.6180 0.6487 -0.0261 -0.0152 -0.0021 723 PHE A O \n176 C CB . PHE A 31 ? 0.6469 0.6917 0.7240 -0.0208 -0.0086 -0.0043 723 PHE A CB \n177 C CG . PHE A 31 ? 0.6439 0.6971 0.7285 -0.0209 -0.0054 -0.0051 723 PHE A CG \n178 C CD1 . PHE A 31 ? 0.5928 0.6492 0.6831 -0.0171 -0.0040 -0.0060 723 PHE A CD1 \n179 C CD2 . PHE A 31 ? 0.5779 0.6359 0.6639 -0.0247 -0.0038 -0.0051 723 PHE A CD2 \n180 C CE1 . PHE A 31 ? 0.6524 0.7156 0.7491 -0.0169 -0.0017 -0.0069 723 PHE A CE1 \n181 C CE2 . PHE A 31 ? 0.4985 0.5643 0.5918 -0.0241 -0.0010 -0.0061 723 PHE A CE2 \n182 C CZ . PHE A 31 ? 0.5596 0.6275 0.6580 -0.0201 -0.0003 -0.0071 723 PHE A CZ \n183 N N . GLY A 32 ? 0.5278 0.5523 0.5863 -0.0227 -0.0170 -0.0017 724 GLY A N \n184 C CA . GLY A 32 ? 0.3769 0.3919 0.4274 -0.0221 -0.0207 -0.0012 724 GLY A CA \n185 C C . GLY A 32 ? 0.5134 0.5215 0.5601 -0.0181 -0.0225 -0.0014 724 GLY A C \n186 O O . GLY A 32 ? 0.5802 0.5901 0.6294 -0.0165 -0.0212 -0.0016 724 GLY A O \n187 N N . THR A 33 ? 0.4764 0.4762 0.5170 -0.0163 -0.0257 -0.0015 725 THR A N \n188 C CA . THR A 33 ? 0.4823 0.4736 0.5174 -0.0124 -0.0278 -0.0018 725 THR A CA \n189 C C . THR A 33 ? 0.4780 0.4682 0.5160 -0.0063 -0.0273 -0.0033 725 THR A C \n190 O O . THR A 33 ? 0.4210 0.4104 0.4595 -0.0061 -0.0289 -0.0034 725 THR A O \n191 C CB . THR A 33 ? 0.6312 0.6119 0.6553 -0.0156 -0.0328 -0.0006 725 THR A CB \n192 O OG1 . THR A 33 ? 0.5929 0.5754 0.6155 -0.0214 -0.0332 0.0009 725 THR A OG1 \n193 C CG2 . THR A 33 ? 0.5708 0.5414 0.5880 -0.0112 -0.0352 -0.0012 725 THR A CG2 \n194 N N . VAL A 34 ? 0.4022 0.3916 0.4414 -0.0015 -0.0253 -0.0042 726 VAL A N \n195 C CA . VAL A 34 ? 0.4419 0.4323 0.4860 0.0044 -0.0238 -0.0057 726 VAL A CA \n196 C C . VAL A 34 ? 0.4252 0.4055 0.4621 0.0088 -0.0260 -0.0065 726 VAL A C \n197 O O . VAL A 34 ? 0.4311 0.4047 0.4604 0.0087 -0.0268 -0.0063 726 VAL A O \n198 C CB . VAL A 34 ? 0.4085 0.4075 0.4612 0.0070 -0.0185 -0.0063 726 VAL A CB \n199 C CG1 . VAL A 34 ? 0.4253 0.4273 0.4848 0.0124 -0.0167 -0.0075 726 VAL A CG1 \n200 C CG2 . VAL A 34 ? 0.4510 0.4591 0.5102 0.0031 -0.0167 -0.0058 726 VAL A CG2 \n201 N N . TYR A 35 ? 0.4224 0.4013 0.4619 0.0127 -0.0273 -0.0074 727 TYR A N \n202 C CA . TYR A 35 ? 0.4083 0.3779 0.4422 0.0178 -0.0295 -0.0085 727 TYR A CA \n203 C C . TYR A 35 ? 0.4640 0.4392 0.5073 0.0243 -0.0258 -0.0101 727 TYR A C \n204 O O . TYR A 35 ? 0.4261 0.4106 0.4799 0.0244 -0.0240 -0.0100 727 TYR A O \n205 C CB . TYR A 35 ? 0.4395 0.4011 0.4676 0.0166 -0.0357 -0.0082 727 TYR A CB \n206 C CG . TYR A 35 ? 0.5156 0.4718 0.5346 0.0096 -0.0396 -0.0064 727 TYR A CG \n207 C CD1 . TYR A 35 ? 0.5819 0.5260 0.5887 0.0087 -0.0437 -0.0060 727 TYR A CD1 \n208 C CD2 . TYR A 35 ? 0.6136 0.5765 0.6360 0.0038 -0.0390 -0.0051 727 TYR A CD2 \n209 C CE1 . TYR A 35 ? 0.5355 0.4751 0.5344 0.0016 -0.0471 -0.0040 727 TYR A CE1 \n210 C CE2 . TYR A 35 ? 0.5874 0.5464 0.6021 -0.0027 -0.0417 -0.0034 727 TYR A CE2 \n211 C CZ . TYR A 35 ? 0.6596 0.6072 0.6630 -0.0041 -0.0458 -0.0027 727 TYR A CZ \n212 O OH . TYR A 35 ? 0.5373 0.4816 0.5337 -0.0112 -0.0485 -0.0007 727 TYR A OH \n213 N N . LYS A 36 ? 0.3901 0.3594 0.4296 0.0297 -0.0248 -0.0115 728 LYS A N \n214 C CA . LYS A 36 ? 0.4303 0.4034 0.4782 0.0365 -0.0220 -0.0132 728 LYS A CA \n215 C C . LYS A 36 ? 0.4869 0.4551 0.5348 0.0384 -0.0277 -0.0136 728 LYS A C \n216 O O . LYS A 36 ? 0.5013 0.4585 0.5382 0.0369 -0.0330 -0.0133 728 LYS A O \n217 C CB . LYS A 36 ? 0.5029 0.4705 0.5455 0.0419 -0.0186 -0.0148 728 LYS A CB \n218 C CG . LYS A 36 ? 0.6256 0.5983 0.6778 0.0491 -0.0145 -0.0167 728 LYS A CG \n219 C CD . LYS A 36 ? 0.5212 0.4864 0.5657 0.0546 -0.0112 -0.0185 728 LYS A CD \n220 C CE . LYS A 36 ? 0.6339 0.5857 0.6682 0.0579 -0.0166 -0.0198 728 LYS A CE \n221 N NZ . LYS A 36 ? 0.6462 0.5889 0.6706 0.0629 -0.0134 -0.0216 728 LYS A NZ \n222 N N . GLY A 37 ? 0.4750 0.4507 0.5347 0.0415 -0.0271 -0.0141 729 GLY A N \n223 C CA . GLY A 37 ? 0.4963 0.4672 0.5566 0.0434 -0.0331 -0.0144 729 GLY A CA \n224 C C . GLY A 37 ? 0.4489 0.4271 0.5229 0.0495 -0.0317 -0.0156 729 GLY A C \n225 O O . GLY A 37 ? 0.3944 0.3817 0.4776 0.0524 -0.0254 -0.0163 729 GLY A O \n226 N N . LEU A 38 ? 0.5185 0.4925 0.5939 0.0512 -0.0379 -0.0158 730 LEU A N \n227 C CA . LEU A 38 ? 0.4975 0.4788 0.5874 0.0564 -0.0380 -0.0167 730 LEU A CA \n228 C C . LEU A 38 ? 0.4499 0.4324 0.5437 0.0525 -0.0441 -0.0152 730 LEU A C \n229 O O . LEU A 38 ? 0.5295 0.5021 0.6126 0.0486 -0.0504 -0.0143 730 LEU A O \n230 C CB . LEU A 38 ? 0.6831 0.6574 0.7722 0.0642 -0.0403 -0.0189 730 LEU A CB \n231 C CG . LEU A 38 ? 0.6703 0.6452 0.7594 0.0704 -0.0335 -0.0210 730 LEU A CG \n232 C CD1 . LEU A 38 ? 0.6819 0.6476 0.7684 0.0779 -0.0372 -0.0233 730 LEU A CD1 \n233 C CD2 . LEU A 38 ? 0.7618 0.7519 0.8667 0.0729 -0.0256 -0.0212 730 LEU A CD2 \n234 N N . TRP A 39 ? 0.5003 0.4945 0.6088 0.0531 -0.0421 -0.0147 731 TRP A N \n235 C CA . TRP A 39 ? 0.4490 0.4439 0.5620 0.0503 -0.0481 -0.0135 731 TRP A CA \n236 C C . TRP A 39 ? 0.5233 0.5204 0.6484 0.0570 -0.0516 -0.0145 731 TRP A C \n237 O O . TRP A 39 ? 0.4699 0.4773 0.6087 0.0618 -0.0466 -0.0154 731 TRP A O \n238 C CB . TRP A 39 ? 0.5252 0.5302 0.6450 0.0454 -0.0449 -0.0119 731 TRP A CB \n239 C CG . TRP A 39 ? 0.5772 0.5833 0.7026 0.0430 -0.0508 -0.0107 731 TRP A CG \n240 C CD1 . TRP A 39 ? 0.6799 0.6758 0.7979 0.0410 -0.0591 -0.0102 731 TRP A CD1 \n241 C CD2 . TRP A 39 ? 0.6790 0.6959 0.8175 0.0419 -0.0494 -0.0097 731 TRP A CD2 \n242 N NE1 . TRP A 39 ? 0.7321 0.7315 0.8574 0.0390 -0.0629 -0.0090 731 TRP A NE1 \n243 C CE2 . TRP A 39 ? 0.6477 0.6600 0.7859 0.0395 -0.0572 -0.0087 731 TRP A CE2 \n244 C CE3 . TRP A 39 ? 0.5756 0.6048 0.7253 0.0425 -0.0426 -0.0095 731 TRP A CE3 \n245 C CZ2 . TRP A 39 ? 0.7745 0.7940 0.9232 0.0378 -0.0586 -0.0075 731 TRP A CZ2 \n246 C CZ3 . TRP A 39 ? 0.6856 0.7224 0.8462 0.0407 -0.0439 -0.0082 731 TRP A CZ3 \n247 C CH2 . TRP A 39 ? 0.7032 0.7351 0.8634 0.0385 -0.0519 -0.0073 731 TRP A CH2 \n248 N N . ILE A 40 ? 0.5550 0.5420 0.6747 0.0570 -0.0602 -0.0144 732 ILE A N \n249 C CA . ILE A 40 ? 0.6524 0.6397 0.7827 0.0628 -0.0656 -0.0152 732 ILE A CA \n250 C C . ILE A 40 ? 0.6218 0.6096 0.7559 0.0582 -0.0721 -0.0133 732 ILE A C \n251 O O . ILE A 40 ? 0.7091 0.6851 0.8313 0.0545 -0.0795 -0.0125 732 ILE A O \n252 C CB . ILE A 40 ? 0.6609 0.6339 0.7807 0.0668 -0.0715 -0.0167 732 ILE A CB \n253 C CG1 . ILE A 40 ? 0.6670 0.6368 0.7788 0.0699 -0.0655 -0.0183 732 ILE A CG1 \n254 C CG2 . ILE A 40 ? 0.8103 0.7845 0.9428 0.0741 -0.0766 -0.0179 732 ILE A CG2 \n255 C CD1 . ILE A 40 ? 0.7342 0.6869 0.8274 0.0689 -0.0711 -0.0187 732 ILE A CD1 \n256 N N . PRO A 41 ? 0.6345 0.6352 0.7837 0.0579 -0.0693 -0.0125 733 PRO A N \n257 C CA . PRO A 41 ? 0.6905 0.6909 0.8432 0.0539 -0.0760 -0.0107 733 PRO A CA \n258 C C . PRO A 41 ? 0.7821 0.7723 0.9336 0.0569 -0.0862 -0.0110 733 PRO A C \n259 O O . PRO A 41 ? 0.5827 0.5737 0.7418 0.0643 -0.0870 -0.0127 733 PRO A O \n260 C CB . PRO A 41 ? 0.7509 0.7670 0.9231 0.0557 -0.0718 -0.0102 733 PRO A CB \n261 C CG . PRO A 41 ? 0.7176 0.7419 0.8915 0.0570 -0.0612 -0.0110 733 PRO A CG \n262 C CD . PRO A 41 ? 0.7353 0.7505 0.8981 0.0607 -0.0602 -0.0129 733 PRO A CD \n263 N N . GLU A 42 ? 0.8490 0.8293 0.9904 0.0513 -0.0939 -0.0095 734 GLU A N \n264 C CA . GLU A 42 ? 1.1664 1.1326 1.3001 0.0526 -0.1043 -0.0097 734 GLU A CA \n265 C C . GLU A 42 ? 1.1970 1.1660 1.3464 0.0603 -0.1098 -0.0106 734 GLU A C \n266 O O . GLU A 42 ? 1.1585 1.1211 1.3061 0.0661 -0.1124 -0.0124 734 GLU A O \n267 C CB . GLU A 42 ? 1.3563 1.3120 1.4768 0.0446 -0.1111 -0.0076 734 GLU A CB \n268 C CG . GLU A 42 ? 1.5131 1.4771 1.6415 0.0403 -0.1102 -0.0060 734 GLU A CG \n269 C CD . GLU A 42 ? 1.7189 1.6734 1.8304 0.0316 -0.1126 -0.0044 734 GLU A CD \n270 O OE1 . GLU A 42 ? 1.6803 1.6203 1.7788 0.0290 -0.1208 -0.0037 734 GLU A OE1 \n271 O OE2 . GLU A 42 ? 1.6609 1.6224 1.7719 0.0273 -0.1061 -0.0038 734 GLU A OE2 \n272 N N . GLY A 43 ? 0.9273 0.9058 1.0924 0.0604 -0.1116 -0.0096 735 GLY A N \n273 C CA . GLY A 43 ? 1.2413 1.2231 1.4229 0.0671 -0.1178 -0.0102 735 GLY A CA \n274 C C . GLY A 43 ? 1.1310 1.1278 1.3312 0.0750 -0.1099 -0.0120 735 GLY A C \n275 O O . GLY A 43 ? 1.0334 1.0323 1.2459 0.0823 -0.1135 -0.0134 735 GLY A O \n276 N N . GLU A 44 ? 1.0028 1.0097 1.2045 0.0734 -0.0990 -0.0121 736 GLU A N \n277 C CA . GLU A 44 ? 0.9093 0.9317 1.1285 0.0795 -0.0901 -0.0134 736 GLU A CA \n278 C C . GLU A 44 ? 0.9792 0.9973 1.1934 0.0864 -0.0861 -0.0162 736 GLU A C \n279 O O . GLU A 44 ? 0.9644 0.9675 1.1617 0.0861 -0.0908 -0.0170 736 GLU A O \n280 C CB . GLU A 44 ? 0.9439 0.9772 1.1652 0.0745 -0.0808 -0.0121 736 GLU A CB \n281 C CG . GLU A 44 ? 0.8991 0.9310 1.1169 0.0664 -0.0852 -0.0095 736 GLU A CG \n282 C CD . GLU A 44 ? 1.0263 1.0690 1.2476 0.0620 -0.0768 -0.0083 736 GLU A CD \n283 O OE1 . GLU A 44 ? 0.9260 0.9636 1.1353 0.0550 -0.0774 -0.0070 736 GLU A OE1 \n284 O OE2 . GLU A 44 ? 1.1291 1.1851 1.3650 0.0654 -0.0695 -0.0087 736 GLU A OE2 \n285 N N . LYS A 45 ? 0.8575 0.8882 1.0857 0.0924 -0.0776 -0.0177 737 LYS A N \n286 C CA . LYS A 45 ? 1.0232 1.0497 1.2471 0.0998 -0.0737 -0.0207 737 LYS A CA \n287 C C . LYS A 45 ? 1.1394 1.1733 1.3618 0.1003 -0.0610 -0.0216 737 LYS A C \n288 O O . LYS A 45 ? 1.2995 1.3415 1.5326 0.1074 -0.0543 -0.0236 737 LYS A O \n289 C CB . LYS A 45 ? 1.2102 1.2412 1.4514 0.1091 -0.0770 -0.0226 737 LYS A CB \n290 C CG . LYS A 45 ? 1.3034 1.3224 1.5417 0.1099 -0.0906 -0.0223 737 LYS A CG \n291 C CD . LYS A 45 ? 1.4089 1.4304 1.6623 0.1205 -0.0938 -0.0249 737 LYS A CD \n292 C CE . LYS A 45 ? 1.4770 1.4851 1.7159 0.1267 -0.0934 -0.0280 737 LYS A CE \n293 N NZ . LYS A 45 ? 1.4929 1.5040 1.7476 0.1378 -0.0964 -0.0308 737 LYS A NZ \n294 N N . VAL A 46 ? 0.9539 0.9849 1.1628 0.0928 -0.0578 -0.0201 738 VAL A N \n295 C CA . VAL A 46 ? 0.8091 0.8451 1.0140 0.0922 -0.0468 -0.0207 738 VAL A CA \n296 C C . VAL A 46 ? 0.7822 0.8057 0.9646 0.0868 -0.0466 -0.0204 738 VAL A C \n297 O O . VAL A 46 ? 0.5589 0.5726 0.7300 0.0814 -0.0537 -0.0191 738 VAL A O \n298 C CB . VAL A 46 ? 0.8603 0.9119 1.0784 0.0884 -0.0403 -0.0188 738 VAL A CB \n299 C CG1 . VAL A 46 ? 0.9984 1.0644 1.2397 0.0942 -0.0378 -0.0193 738 VAL A CG1 \n300 C CG2 . VAL A 46 ? 0.7309 0.7814 0.9458 0.0800 -0.0457 -0.0161 738 VAL A CG2 \n301 N N . LYS A 47 ? 0.6855 0.7094 0.8618 0.0882 -0.0382 -0.0216 739 LYS A N \n302 C CA . LYS A 47 ? 0.7141 0.7284 0.8714 0.0831 -0.0369 -0.0211 739 LYS A CA \n303 C C . LYS A 47 ? 0.5750 0.5997 0.7355 0.0789 -0.0285 -0.0199 739 LYS A C \n304 O O . LYS A 47 ? 0.5541 0.5880 0.7239 0.0827 -0.0208 -0.0208 739 LYS A O \n305 C CB . LYS A 47 ? 0.6464 0.6502 0.7920 0.0884 -0.0352 -0.0236 739 LYS A CB \n306 C CG . LYS A 47 ? 0.8120 0.8031 0.9515 0.0926 -0.0439 -0.0249 739 LYS A CG \n307 C CD . LYS A 47 ? 0.8257 0.8089 0.9573 0.0996 -0.0407 -0.0278 739 LYS A CD \n308 C CE . LYS A 47 ? 0.8535 0.8206 0.9739 0.1026 -0.0498 -0.0290 739 LYS A CE \n309 N NZ . LYS A 47 ? 0.7836 0.7417 0.8942 0.1091 -0.0464 -0.0319 739 LYS A NZ \n310 N N . ILE A 48 ? 0.6242 0.6472 0.7771 0.0711 -0.0299 -0.0179 740 ILE A N \n311 C CA . ILE A 48 ? 0.4873 0.5194 0.6429 0.0670 -0.0229 -0.0167 740 ILE A CA \n312 C C . ILE A 48 ? 0.4382 0.4622 0.5770 0.0627 -0.0210 -0.0165 740 ILE A C \n313 O O . ILE A 48 ? 0.4231 0.4389 0.5512 0.0581 -0.0264 -0.0156 740 ILE A O \n314 C CB . ILE A 48 ? 0.5364 0.5760 0.7005 0.0616 -0.0255 -0.0145 740 ILE A CB \n315 C CG1 . ILE A 48 ? 0.4896 0.5371 0.6711 0.0655 -0.0282 -0.0144 740 ILE A CG1 \n316 C CG2 . ILE A 48 ? 0.4709 0.5188 0.6372 0.0575 -0.0187 -0.0134 740 ILE A CG2 \n317 C CD1 . ILE A 48 ? 0.5101 0.5589 0.6957 0.0605 -0.0348 -0.0124 740 ILE A CD1 \n318 N N . PRO A 49 ? 0.4620 0.4882 0.5985 0.0642 -0.0135 -0.0173 741 PRO A N \n319 C CA . PRO A 49 ? 0.4508 0.4699 0.5724 0.0601 -0.0119 -0.0169 741 PRO A CA \n320 C C . PRO A 49 ? 0.4429 0.4656 0.5636 0.0525 -0.0129 -0.0148 741 PRO A C \n321 O O . PRO A 49 ? 0.4329 0.4659 0.5639 0.0508 -0.0097 -0.0138 741 PRO A O \n322 C CB . PRO A 49 ? 0.4452 0.4677 0.5675 0.0633 -0.0035 -0.0179 741 PRO A CB \n323 C CG . PRO A 49 ? 0.4767 0.5061 0.6123 0.0703 -0.0007 -0.0193 741 PRO A CG \n324 C CD . PRO A 49 ? 0.4725 0.5084 0.6204 0.0690 -0.0059 -0.0182 741 PRO A CD \n325 N N . VAL A 50 ? 0.4513 0.4652 0.5597 0.0480 -0.0172 -0.0141 742 VAL A N \n326 C CA . VAL A 50 ? 0.4420 0.4583 0.5484 0.0411 -0.0184 -0.0124 742 VAL A CA \n327 C C . VAL A 50 ? 0.4083 0.4179 0.5016 0.0373 -0.0178 -0.0121 742 VAL A C \n328 O O . VAL A 50 ? 0.4027 0.4032 0.4862 0.0391 -0.0190 -0.0129 742 VAL A O \n329 C CB . VAL A 50 ? 0.4323 0.4458 0.5388 0.0383 -0.0254 -0.0116 742 VAL A CB \n330 C CG1 . VAL A 50 ? 0.4662 0.4876 0.5870 0.0410 -0.0263 -0.0115 742 VAL A CG1 \n331 C CG2 . VAL A 50 ? 0.4472 0.4481 0.5425 0.0390 -0.0314 -0.0120 742 VAL A CG2 \n332 N N . ALA A 51 ? 0.3559 0.3703 0.4495 0.0322 -0.0161 -0.0109 743 ALA A N \n333 C CA . ALA A 51 ? 0.3627 0.3718 0.4456 0.0275 -0.0169 -0.0102 743 ALA A CA \n334 C C . ALA A 51 ? 0.3415 0.3486 0.4217 0.0227 -0.0219 -0.0092 743 ALA A C \n335 O O . ALA A 51 ? 0.3424 0.3548 0.4298 0.0218 -0.0229 -0.0088 743 ALA A O \n336 C CB . ALA A 51 ? 0.3176 0.3334 0.4030 0.0252 -0.0120 -0.0098 743 ALA A CB \n337 N N . ILE A 52 ? 0.3550 0.3537 0.4241 0.0195 -0.0252 -0.0087 744 ILE A N \n338 C CA . ILE A 52 ? 0.3208 0.3162 0.3852 0.0146 -0.0296 -0.0077 744 ILE A CA \n339 C C . ILE A 52 ? 0.3993 0.3946 0.4576 0.0089 -0.0285 -0.0067 744 ILE A C \n340 O O . ILE A 52 ? 0.3874 0.3772 0.4385 0.0086 -0.0287 -0.0066 744 ILE A O \n341 C CB . ILE A 52 ? 0.3975 0.3817 0.4537 0.0157 -0.0355 -0.0078 744 ILE A CB \n342 C CG1 . ILE A 52 ? 0.4130 0.3977 0.4766 0.0219 -0.0369 -0.0089 744 ILE A CG1 \n343 C CG2 . ILE A 52 ? 0.4103 0.3898 0.4598 0.0098 -0.0399 -0.0065 744 ILE A CG2 \n344 C CD1 . ILE A 52 ? 0.5386 0.5119 0.5948 0.0249 -0.0422 -0.0096 744 ILE A CD1 \n345 N N . LYS A 53 ? 0.3721 0.3735 0.4336 0.0048 -0.0272 -0.0060 745 LYS A N \n346 C CA . LYS A 53 ? 0.3851 0.3878 0.4425 -0.0005 -0.0259 -0.0052 745 LYS A CA \n347 C C . LYS A 53 ? 0.4788 0.4769 0.5293 -0.0056 -0.0295 -0.0042 745 LYS A C \n348 O O . LYS A 53 ? 0.4724 0.4724 0.5253 -0.0068 -0.0302 -0.0042 745 LYS A O \n349 C CB . LYS A 53 ? 0.3374 0.3504 0.4031 -0.0012 -0.0212 -0.0054 745 LYS A CB \n350 C CG . LYS A 53 ? 0.3772 0.3928 0.4406 -0.0058 -0.0196 -0.0047 745 LYS A CG \n351 C CD . LYS A 53 ? 0.3706 0.3945 0.4416 -0.0046 -0.0153 -0.0052 745 LYS A CD \n352 C CE . LYS A 53 ? 0.4141 0.4407 0.4840 -0.0085 -0.0141 -0.0047 745 LYS A CE \n353 N NZ . LYS A 53 ? 0.4602 0.4932 0.5365 -0.0069 -0.0107 -0.0052 745 LYS A NZ \n354 N N . GLU A 54 ? 0.4315 0.4227 0.4729 -0.0089 -0.0318 -0.0033 746 GLU A N \n355 C CA . GLU A 54 ? 0.4188 0.4055 0.4525 -0.0149 -0.0345 -0.0020 746 GLU A CA \n356 C C . GLU A 54 ? 0.5190 0.5125 0.5540 -0.0199 -0.0310 -0.0014 746 GLU A C \n357 O O . GLU A 54 ? 0.5046 0.4993 0.5396 -0.0204 -0.0298 -0.0010 746 GLU A O \n358 C CB . GLU A 54 ? 0.4863 0.4613 0.5092 -0.0159 -0.0395 -0.0012 746 GLU A CB \n359 C CG . GLU A 54 ? 0.5544 0.5226 0.5684 -0.0215 -0.0433 0.0000 746 GLU A CG \n360 C CD . GLU A 54 ? 0.7303 0.6852 0.7338 -0.0210 -0.0494 0.0005 746 GLU A CD \n361 O OE1 . GLU A 54 ? 0.7859 0.7363 0.7852 -0.0204 -0.0505 0.0007 746 GLU A OE1 \n362 O OE2 . GLU A 54 ? 0.7327 0.6809 0.7318 -0.0211 -0.0537 0.0006 746 GLU A OE2 \n363 N N . LEU A 55 ? 0.5468 0.5442 0.5829 -0.0234 -0.0295 -0.0012 747 LEU A N \n364 C CA . LEU A 55 ? 0.6078 0.6135 0.6476 -0.0269 -0.0253 -0.0010 747 LEU A CA \n365 C C . LEU A 55 ? 0.7493 0.7523 0.7821 -0.0331 -0.0262 0.0004 747 LEU A C \n366 O O . LEU A 55 ? 0.6291 0.6230 0.6528 -0.0357 -0.0302 0.0015 747 LEU A O \n367 C CB . LEU A 55 ? 0.5203 0.5318 0.5645 -0.0275 -0.0226 -0.0018 747 LEU A CB \n368 C CG . LEU A 55 ? 0.5849 0.5998 0.6365 -0.0224 -0.0220 -0.0031 747 LEU A CG \n369 C CD1 . LEU A 55 ? 0.6954 0.7155 0.7500 -0.0239 -0.0193 -0.0038 747 LEU A CD1 \n370 C CD2 . LEU A 55 ? 0.5867 0.6064 0.6457 -0.0178 -0.0198 -0.0037 747 LEU A CD2 \n371 N N . ARG A 56 ? 0.8219 0.8329 0.8596 -0.0355 -0.0226 0.0006 748 ARG A N \n372 C CA . ARG A 56 ? 1.1080 1.1195 1.1418 -0.0420 -0.0223 0.0021 748 ARG A CA \n373 C C . ARG A 56 ? 1.0388 1.0509 1.0694 -0.0460 -0.0206 0.0021 748 ARG A C \n374 O O . ARG A 56 ? 0.7229 0.7402 0.7583 -0.0440 -0.0176 0.0007 748 ARG A O \n375 C CB . ARG A 56 ? 1.1845 1.2057 1.2267 -0.0428 -0.0188 0.0020 748 ARG A CB \n376 C CG . ARG A 56 ? 1.3936 1.4149 1.4396 -0.0384 -0.0196 0.0017 748 ARG A CG \n377 C CD . ARG A 56 ? 1.4596 1.4761 1.5009 -0.0413 -0.0228 0.0034 748 ARG A CD \n378 N NE . ARG A 56 ? 1.5199 1.5339 1.5623 -0.0368 -0.0241 0.0030 748 ARG A NE \n379 C CZ . ARG A 56 ? 1.5598 1.5723 1.6013 -0.0384 -0.0260 0.0041 748 ARG A CZ \n380 N NH1 . ARG A 56 ? 1.4878 1.4968 1.5289 -0.0341 -0.0269 0.0035 748 ARG A NH1 \n381 N NH2 . ARG A 56 ? 1.5250 1.5393 1.5659 -0.0444 -0.0269 0.0059 748 ARG A NH2 \n382 N N . GLU A 57 ? 1.2379 1.2438 1.2593 -0.0517 -0.0227 0.0038 749 GLU A N \n383 C CA . GLU A 57 ? 1.3739 1.3784 1.3896 -0.0563 -0.0212 0.0041 749 GLU A CA \n384 C C . GLU A 57 ? 1.4962 1.5115 1.5174 -0.0600 -0.0151 0.0039 749 GLU A C \n385 O O . GLU A 57 ? 1.6001 1.6236 1.6296 -0.0596 -0.0129 0.0039 749 GLU A O \n386 C CB . GLU A 57 ? 1.3684 1.3614 1.3712 -0.0615 -0.0258 0.0061 749 GLU A CB \n387 C CG . GLU A 57 ? 1.5587 1.5401 1.5553 -0.0577 -0.0322 0.0061 749 GLU A CG \n388 C CD . GLU A 57 ? 1.6847 1.6535 1.6677 -0.0629 -0.0374 0.0082 749 GLU A CD \n389 O OE1 . GLU A 57 ? 1.6527 1.6217 1.6305 -0.0700 -0.0358 0.0098 749 GLU A OE1 \n390 O OE2 . GLU A 57 ? 1.8156 1.7743 1.7932 -0.0598 -0.0431 0.0082 749 GLU A OE2 \n391 N N . ALA A 58 ? 1.4459 1.4609 1.4624 -0.0635 -0.0126 0.0037 750 ALA A N \n392 C CA . ALA A 58 ? 1.4919 1.5165 1.5125 -0.0672 -0.0063 0.0033 750 ALA A CA \n393 C C . ALA A 58 ? 1.5944 1.6135 1.6037 -0.0748 -0.0056 0.0049 750 ALA A C \n394 O O . ALA A 58 ? 1.7984 1.8057 1.7963 -0.0764 -0.0100 0.0058 750 ALA A O \n395 C CB . ALA A 58 ? 1.3958 1.4268 1.4228 -0.0632 -0.0021 0.0008 750 ALA A CB \n396 N N . THR A 59 ? 1.5547 1.5824 1.5674 -0.0794 -0.0001 0.0053 751 THR A N \n397 C CA . THR A 59 ? 1.5666 1.5906 1.5692 -0.0871 0.0018 0.0068 751 THR A CA \n398 C C . THR A 59 ? 1.5758 1.5949 1.5705 -0.0869 0.0040 0.0053 751 THR A C \n399 O O . THR A 59 ? 1.4822 1.4902 1.4632 -0.0914 0.0017 0.0065 751 THR A O \n400 C CB . THR A 59 ? 1.4814 1.5178 1.4915 -0.0918 0.0081 0.0075 751 THR A CB \n401 O OG1 . THR A 59 ? 1.2875 1.3301 1.3077 -0.0907 0.0061 0.0084 751 THR A OG1 \n402 C CG2 . THR A 59 ? 1.2617 1.2932 1.2605 -0.1009 0.0093 0.0099 751 THR A CG2 \n403 N N . SER A 60 ? 1.5251 1.5517 1.5280 -0.0818 0.0080 0.0026 752 SER A N \n404 C CA . SER A 60 ? 1.7078 1.7293 1.7041 -0.0805 0.0093 0.0009 752 SER A CA \n405 C C . SER A 60 ? 1.6285 1.6482 1.6299 -0.0729 0.0055 -0.0006 752 SER A C \n406 O O . SER A 60 ? 1.5703 1.5985 1.5817 -0.0682 0.0087 -0.0027 752 SER A O \n407 C CB . SER A 60 ? 1.6547 1.6855 1.6546 -0.0816 0.0178 -0.0009 752 SER A CB \n408 O OG . SER A 60 ? 1.5039 1.5285 1.4960 -0.0802 0.0188 -0.0027 752 SER A OG \n409 N N . PRO A 61 ? 1.5006 1.5094 1.4955 -0.0716 -0.0015 0.0003 753 PRO A N \n410 C CA . PRO A 61 ? 1.3478 1.3554 1.3483 -0.0648 -0.0052 -0.0008 753 PRO A CA \n411 C C . PRO A 61 ? 1.2333 1.2375 1.2304 -0.0631 -0.0046 -0.0024 753 PRO A C \n412 O O . PRO A 61 ? 1.1256 1.1245 1.1123 -0.0674 -0.0028 -0.0024 753 PRO A O \n413 C CB . PRO A 61 ? 1.3646 1.3613 1.3586 -0.0646 -0.0127 0.0008 753 PRO A CB \n414 C CG . PRO A 61 ? 1.3697 1.3608 1.3534 -0.0718 -0.0134 0.0030 753 PRO A CG \n415 C CD . PRO A 61 ? 1.3088 1.3053 1.2904 -0.0766 -0.0064 0.0026 753 PRO A CD \n416 N N . LYS A 62 ? 1.1578 1.1646 1.1629 -0.0570 -0.0062 -0.0037 754 LYS A N \n417 C CA . LYS A 62 ? 0.9913 0.9940 0.9936 -0.0551 -0.0070 -0.0051 754 LYS A CA \n418 C C . LYS A 62 ? 0.9257 0.9148 0.9173 -0.0563 -0.0140 -0.0038 754 LYS A C \n419 O O . LYS A 62 ? 0.9143 0.8987 0.9044 -0.0563 -0.0188 -0.0023 754 LYS A O \n420 C CB . LYS A 62 ? 0.8340 0.8438 0.8488 -0.0487 -0.0069 -0.0065 754 LYS A CB \n421 C CG . LYS A 62 ? 0.8269 0.8487 0.8513 -0.0471 -0.0005 -0.0079 754 LYS A CG \n422 C CD . LYS A 62 ? 0.8297 0.8571 0.8652 -0.0412 -0.0010 -0.0091 754 LYS A CD \n423 C CE . LYS A 62 ? 0.8751 0.9132 0.9194 -0.0396 0.0045 -0.0106 754 LYS A CE \n424 N NZ . LYS A 62 ? 0.8804 0.9229 0.9343 -0.0343 0.0038 -0.0116 754 LYS A NZ \n425 N N . ALA A 63 ? 0.8671 0.8494 0.8510 -0.0573 -0.0150 -0.0045 755 ALA A N \n426 C CA . ALA A 63 ? 0.8306 0.7997 0.8051 -0.0580 -0.0224 -0.0034 755 ALA A CA \n427 C C . ALA A 63 ? 0.7631 0.7333 0.7477 -0.0520 -0.0279 -0.0033 755 ALA A C \n428 O O . ALA A 63 ? 0.6261 0.6060 0.6231 -0.0475 -0.0255 -0.0044 755 ALA A O \n429 C CB . ALA A 63 ? 0.8198 0.7814 0.7843 -0.0600 -0.0223 -0.0043 755 ALA A CB \n430 N N . ASN A 64 ? 0.7207 0.6810 0.7001 -0.0520 -0.0351 -0.0020 756 ASN A N \n431 C CA . ASN A 64 ? 0.7466 0.7080 0.7358 -0.0462 -0.0402 -0.0020 756 ASN A CA \n432 C C . ASN A 64 ? 0.6435 0.6089 0.6407 -0.0426 -0.0403 -0.0031 756 ASN A C \n433 O O . ASN A 64 ? 0.6698 0.6435 0.6800 -0.0376 -0.0398 -0.0036 756 ASN A O \n434 C CB . ASN A 64 ? 0.7970 0.7460 0.7785 -0.0468 -0.0485 -0.0006 756 ASN A CB \n435 C CG . ASN A 64 ? 0.8562 0.8025 0.8338 -0.0484 -0.0495 0.0004 756 ASN A CG \n436 O OD1 . ASN A 64 ? 0.8723 0.8078 0.8422 -0.0494 -0.0560 0.0016 756 ASN A OD1 \n437 N ND2 . ASN A 64 ? 0.8060 0.7616 0.7890 -0.0486 -0.0436 0.0002 756 ASN A ND2 \n438 N N . LYS A 65 ? 0.6292 0.5884 0.6180 -0.0452 -0.0409 -0.0035 757 LYS A N \n439 C CA . LYS A 65 ? 0.6983 0.6592 0.6930 -0.0423 -0.0421 -0.0043 757 LYS A CA \n440 C C . LYS A 65 ? 0.6684 0.6420 0.6741 -0.0396 -0.0354 -0.0058 757 LYS A C \n441 O O . LYS A 65 ? 0.4950 0.4735 0.5108 -0.0357 -0.0365 -0.0061 757 LYS A O \n442 C CB . LYS A 65 ? 0.7462 0.6956 0.7275 -0.0459 -0.0449 -0.0044 757 LYS A CB \n443 C CG . LYS A 65 ? 0.8235 0.7718 0.7942 -0.0503 -0.0382 -0.0054 757 LYS A CG \n444 C CD . LYS A 65 ? 0.8875 0.8232 0.8441 -0.0535 -0.0411 -0.0056 757 LYS A CD \n445 C CE . LYS A 65 ? 1.0394 0.9751 0.9864 -0.0571 -0.0333 -0.0070 757 LYS A CE \n446 N NZ . LYS A 65 ? 1.2974 1.2194 1.2288 -0.0602 -0.0360 -0.0074 757 LYS A NZ \n447 N N . GLU A 66 ? 0.5339 0.5129 0.5379 -0.0417 -0.0287 -0.0065 758 GLU A N \n448 C CA . GLU A 66 ? 0.5727 0.5636 0.5871 -0.0390 -0.0226 -0.0079 758 GLU A CA \n449 C C . GLU A 66 ? 0.5628 0.5620 0.5901 -0.0348 -0.0227 -0.0075 758 GLU A C \n450 O O . GLU A 66 ? 0.5319 0.5383 0.5696 -0.0311 -0.0213 -0.0082 758 GLU A O \n451 C CB . GLU A 66 ? 0.7101 0.7046 0.7198 -0.0424 -0.0158 -0.0087 758 GLU A CB \n452 C CG . GLU A 66 ? 0.9416 0.9464 0.9599 -0.0399 -0.0098 -0.0106 758 GLU A CG \n453 C CD . GLU A 66 ? 1.1205 1.1299 1.1358 -0.0430 -0.0030 -0.0115 758 GLU A CD \n454 O OE1 . GLU A 66 ? 1.3700 1.3894 1.3945 -0.0408 0.0015 -0.0126 758 GLU A OE1 \n455 O OE2 . GLU A 66 ? 1.0307 1.0336 1.0344 -0.0478 -0.0022 -0.0110 758 GLU A OE2 \n456 N N . ILE A 67 ? 0.4829 0.4803 0.5086 -0.0357 -0.0244 -0.0063 759 ILE A N \n457 C CA . ILE A 67 ? 0.4997 0.5022 0.5350 -0.0318 -0.0254 -0.0058 759 ILE A CA \n458 C C . ILE A 67 ? 0.4590 0.4609 0.5016 -0.0275 -0.0299 -0.0056 759 ILE A C \n459 O O . ILE A 67 ? 0.4433 0.4528 0.4968 -0.0236 -0.0284 -0.0059 759 ILE A O \n460 C CB . ILE A 67 ? 0.5400 0.5374 0.5694 -0.0337 -0.0276 -0.0046 759 ILE A CB \n461 C CG1 . ILE A 67 ? 0.5931 0.5944 0.6195 -0.0374 -0.0225 -0.0046 759 ILE A CG1 \n462 C CG2 . ILE A 67 ? 0.5420 0.5415 0.5793 -0.0291 -0.0301 -0.0042 759 ILE A CG2 \n463 C CD1 . ILE A 67 ? 0.5535 0.5491 0.5725 -0.0405 -0.0247 -0.0031 759 ILE A CD1 \n464 N N . LEU A 68 ? 0.4029 0.3958 0.4394 -0.0286 -0.0355 -0.0049 760 LEU A N \n465 C CA . LEU A 68 ? 0.5517 0.5445 0.5960 -0.0249 -0.0403 -0.0046 760 LEU A CA \n466 C C . LEU A 68 ? 0.5372 0.5366 0.5894 -0.0232 -0.0379 -0.0054 760 LEU A C \n467 O O . LEU A 68 ? 0.4592 0.4645 0.5228 -0.0194 -0.0385 -0.0052 760 LEU A O \n468 C CB . LEU A 68 ? 0.4702 0.4514 0.5062 -0.0267 -0.0475 -0.0037 760 LEU A CB \n469 C CG . LEU A 68 ? 0.5156 0.4901 0.5461 -0.0271 -0.0512 -0.0028 760 LEU A CG \n470 C CD1 . LEU A 68 ? 0.6034 0.5646 0.6229 -0.0298 -0.0585 -0.0019 760 LEU A CD1 \n471 C CD2 . LEU A 68 ? 0.4923 0.4723 0.5345 -0.0217 -0.0522 -0.0027 760 LEU A CD2 \n472 N N . ASP A 69 ? 0.4570 0.4554 0.5030 -0.0260 -0.0349 -0.0062 761 ASP A N \n473 C CA . ASP A 69 ? 0.4783 0.4811 0.5297 -0.0247 -0.0330 -0.0071 761 ASP A CA \n474 C C . ASP A 69 ? 0.5570 0.5711 0.6197 -0.0215 -0.0281 -0.0077 761 ASP A C \n475 O O . ASP A 69 ? 0.4906 0.5092 0.5622 -0.0190 -0.0286 -0.0076 761 ASP A O \n476 C CB . ASP A 69 ? 0.5471 0.5453 0.5877 -0.0281 -0.0306 -0.0082 761 ASP A CB \n477 C CG . ASP A 69 ? 0.7236 0.7246 0.7681 -0.0267 -0.0292 -0.0093 761 ASP A CG \n478 O OD1 . ASP A 69 ? 0.6087 0.6131 0.6515 -0.0272 -0.0237 -0.0108 761 ASP A OD1 \n479 O OD2 . ASP A 69 ? 0.5894 0.5891 0.6389 -0.0252 -0.0337 -0.0086 761 ASP A OD2 \n480 N N . GLU A 70 ? 0.4300 0.4482 0.4922 -0.0220 -0.0237 -0.0081 762 GLU A N \n481 C CA . GLU A 70 ? 0.4078 0.4352 0.4794 -0.0193 -0.0196 -0.0085 762 GLU A CA \n482 C C . GLU A 70 ? 0.3738 0.4039 0.4536 -0.0159 -0.0216 -0.0075 762 GLU A C \n483 O O . GLU A 70 ? 0.4230 0.4594 0.5119 -0.0131 -0.0200 -0.0076 762 GLU A O \n484 C CB . GLU A 70 ? 0.4732 0.5038 0.5419 -0.0211 -0.0150 -0.0091 762 GLU A CB \n485 C CG . GLU A 70 ? 0.5558 0.5852 0.6178 -0.0240 -0.0120 -0.0103 762 GLU A CG \n486 C CD . GLU A 70 ? 0.8193 0.8552 0.8829 -0.0248 -0.0066 -0.0112 762 GLU A CD \n487 O OE1 . GLU A 70 ? 0.7418 0.7770 0.7997 -0.0273 -0.0036 -0.0123 762 GLU A OE1 \n488 O OE2 . GLU A 70 ? 0.7233 0.7650 0.7939 -0.0229 -0.0053 -0.0109 762 GLU A OE2 \n489 N N . ALA A 71 ? 0.3592 0.3840 0.4355 -0.0161 -0.0252 -0.0067 763 ALA A N \n490 C CA . ALA A 71 ? 0.3449 0.3718 0.4286 -0.0124 -0.0268 -0.0060 763 ALA A CA \n491 C C . ALA A 71 ? 0.3643 0.3934 0.4565 -0.0100 -0.0294 -0.0056 763 ALA A C \n492 O O . ALA A 71 ? 0.3616 0.3962 0.4631 -0.0066 -0.0284 -0.0054 763 ALA A O \n493 C CB . ALA A 71 ? 0.3676 0.3874 0.4452 -0.0128 -0.0307 -0.0054 763 ALA A CB \n494 N N . TYR A 72 ? 0.3293 0.3539 0.4182 -0.0120 -0.0327 -0.0055 764 TYR A N \n495 C CA . TYR A 72 ? 0.3366 0.3628 0.4338 -0.0102 -0.0361 -0.0047 764 TYR A CA \n496 C C . TYR A 72 ? 0.3166 0.3516 0.4230 -0.0085 -0.0319 -0.0050 764 TYR A C \n497 O O . TYR A 72 ? 0.3194 0.3593 0.4360 -0.0060 -0.0326 -0.0042 764 TYR A O \n498 C CB . TYR A 72 ? 0.3550 0.3738 0.4455 -0.0131 -0.0405 -0.0045 764 TYR A CB \n499 C CG . TYR A 72 ? 0.3434 0.3637 0.4428 -0.0118 -0.0448 -0.0035 764 TYR A CG \n500 C CD1 . TYR A 72 ? 0.3371 0.3606 0.4401 -0.0123 -0.0435 -0.0036 764 TYR A CD1 \n501 C CD2 . TYR A 72 ? 0.3529 0.3714 0.4575 -0.0101 -0.0503 -0.0024 764 TYR A CD2 \n502 C CE1 . TYR A 72 ? 0.4169 0.4418 0.5284 -0.0116 -0.0477 -0.0024 764 TYR A CE1 \n503 C CE2 . TYR A 72 ? 0.3858 0.4066 0.5001 -0.0091 -0.0544 -0.0012 764 TYR A CE2 \n504 C CZ . TYR A 72 ? 0.3495 0.3736 0.4671 -0.0101 -0.0531 -0.0011 764 TYR A CZ \n505 O OH . TYR A 72 ? 0.4096 0.4360 0.5370 -0.0097 -0.0575 0.0002 764 TYR A OH \n506 N N . VAL A 73 ? 0.3378 0.3749 0.4407 -0.0098 -0.0275 -0.0060 765 VAL A N \n507 C CA . VAL A 73 ? 0.3283 0.3725 0.4388 -0.0084 -0.0240 -0.0062 765 VAL A CA \n508 C C . VAL A 73 ? 0.3048 0.3548 0.4224 -0.0055 -0.0212 -0.0059 765 VAL A C \n509 O O . VAL A 73 ? 0.2999 0.3554 0.4260 -0.0037 -0.0199 -0.0053 765 VAL A O \n510 C CB . VAL A 73 ? 0.3849 0.4298 0.4902 -0.0100 -0.0200 -0.0076 765 VAL A CB \n511 C CG1 . VAL A 73 ? 0.4236 0.4747 0.5362 -0.0084 -0.0173 -0.0078 765 VAL A CG1 \n512 C CG2 . VAL A 73 ? 0.4496 0.4878 0.5462 -0.0127 -0.0221 -0.0083 765 VAL A CG2 \n513 N N . MET A 74 ? 0.2829 0.3312 0.3963 -0.0052 -0.0204 -0.0061 766 MET A N \n514 C CA . MET A 74 ? 0.2877 0.3399 0.4058 -0.0024 -0.0179 -0.0059 766 MET A CA \n515 C C . MET A 74 ? 0.3467 0.4001 0.4724 0.0004 -0.0202 -0.0051 766 MET A C \n516 O O . MET A 74 ? 0.3738 0.4322 0.5063 0.0031 -0.0176 -0.0048 766 MET A O \n517 C CB . MET A 74 ? 0.3460 0.3948 0.4566 -0.0031 -0.0169 -0.0063 766 MET A CB \n518 C CG . MET A 74 ? 0.4095 0.4587 0.5145 -0.0059 -0.0141 -0.0071 766 MET A CG \n519 S SD . MET A 74 ? 0.4008 0.4444 0.4965 -0.0079 -0.0150 -0.0070 766 MET A SD \n520 C CE . MET A 74 ? 0.3262 0.3728 0.4185 -0.0109 -0.0110 -0.0077 766 MET A CE \n521 N N . ALA A 75 ? 0.2656 0.3147 0.3904 0.0000 -0.0252 -0.0046 767 ALA A N \n522 C CA . ALA A 75 ? 0.2975 0.3484 0.4312 0.0028 -0.0281 -0.0038 767 ALA A CA \n523 C C . ALA A 75 ? 0.3196 0.3760 0.4633 0.0030 -0.0287 -0.0029 767 ALA A C \n524 O O . ALA A 75 ? 0.3746 0.4355 0.5286 0.0056 -0.0296 -0.0021 767 ALA A O \n525 C CB . ALA A 75 ? 0.2950 0.3382 0.4237 0.0022 -0.0341 -0.0035 767 ALA A CB \n526 N N . SER A 76 ? 0.3572 0.4132 0.4980 0.0002 -0.0282 -0.0029 768 SER A N \n527 C CA . SER A 76 ? 0.3946 0.4539 0.5428 -0.0004 -0.0299 -0.0019 768 SER A CA \n528 C C . SER A 76 ? 0.3727 0.4399 0.5288 0.0006 -0.0249 -0.0016 768 SER A C \n529 O O . SER A 76 ? 0.4448 0.5159 0.6088 0.0002 -0.0260 -0.0004 768 SER A O \n530 C CB . SER A 76 ? 0.3198 0.3734 0.4595 -0.0039 -0.0318 -0.0024 768 SER A CB \n531 O OG . SER A 76 ? 0.4849 0.5409 0.6219 -0.0045 -0.0270 -0.0033 768 SER A OG \n532 N N . VAL A 77 ? 0.3042 0.3734 0.4578 0.0018 -0.0200 -0.0024 769 VAL A N \n533 C CA . VAL A 77 ? 0.3247 0.3998 0.4835 0.0024 -0.0155 -0.0021 769 VAL A CA \n534 C C . VAL A 77 ? 0.3687 0.4501 0.5386 0.0048 -0.0140 -0.0009 769 VAL A C \n535 O O . VAL A 77 ? 0.4329 0.5147 0.6052 0.0074 -0.0141 -0.0011 769 VAL A O \n536 C CB . VAL A 77 ? 0.3814 0.4560 0.5338 0.0027 -0.0111 -0.0032 769 VAL A CB \n537 C CG1 . VAL A 77 ? 0.3608 0.4310 0.5044 0.0002 -0.0118 -0.0043 769 VAL A CG1 \n538 C CG2 . VAL A 77 ? 0.4688 0.5418 0.6187 0.0050 -0.0101 -0.0037 769 VAL A CG2 \n539 N N . ASP A 78 ? 0.3175 0.4037 0.4942 0.0039 -0.0127 0.0001 770 ASP A N \n540 C CA . ASP A 78 ? 0.4067 0.4999 0.5951 0.0056 -0.0111 0.0015 770 ASP A CA \n541 C C . ASP A 78 ? 0.3131 0.4103 0.5035 0.0047 -0.0064 0.0021 770 ASP A C \n542 O O . ASP A 78 ? 0.3297 0.4285 0.5234 0.0022 -0.0076 0.0033 770 ASP A O \n543 C CB . ASP A 78 ? 0.3660 0.4609 0.5627 0.0044 -0.0164 0.0030 770 ASP A CB \n544 C CG . ASP A 78 ? 0.4215 0.5249 0.6323 0.0062 -0.0148 0.0045 770 ASP A CG \n545 O OD1 . ASP A 78 ? 0.4180 0.5248 0.6312 0.0093 -0.0102 0.0039 770 ASP A OD1 \n546 O OD2 . ASP A 78 ? 0.6700 0.7767 0.8894 0.0044 -0.0181 0.0062 770 ASP A OD2 \n547 N N . ASN A 79 ? 0.2585 0.3563 0.4459 0.0066 -0.0014 0.0013 771 ASN A N \n548 C CA . ASN A 79 ? 0.2689 0.3689 0.4561 0.0058 0.0031 0.0018 771 ASN A CA \n549 C C . ASN A 79 ? 0.2652 0.3663 0.4515 0.0088 0.0081 0.0013 771 ASN A C \n550 O O . ASN A 79 ? 0.3167 0.4140 0.4974 0.0109 0.0079 0.0000 771 ASN A O \n551 C CB . ASN A 79 ? 0.3097 0.4047 0.4873 0.0038 0.0027 0.0009 771 ASN A CB \n552 C CG . ASN A 79 ? 0.3228 0.4187 0.4991 0.0029 0.0065 0.0014 771 ASN A CG \n553 O OD1 . ASN A 79 ? 0.3208 0.4155 0.4928 0.0043 0.0101 0.0008 771 ASN A OD1 \n554 N ND2 . ASN A 79 ? 0.3130 0.4101 0.4923 0.0003 0.0054 0.0027 771 ASN A ND2 \n555 N N . PRO A 80 ? 0.3693 0.4748 0.5601 0.0089 0.0128 0.0023 772 PRO A N \n556 C CA . PRO A 80 ? 0.3736 0.4796 0.5632 0.0119 0.0180 0.0018 772 PRO A CA \n557 C C . PRO A 80 ? 0.3282 0.4272 0.5054 0.0126 0.0194 0.0003 772 PRO A C \n558 O O . PRO A 80 ? 0.2973 0.3944 0.4712 0.0155 0.0223 -0.0005 772 PRO A O \n559 C CB . PRO A 80 ? 0.4673 0.5783 0.6622 0.0105 0.0226 0.0034 772 PRO A CB \n560 C CG . PRO A 80 ? 0.5154 0.6308 0.7190 0.0075 0.0190 0.0051 772 PRO A CG \n561 C CD . PRO A 80 ? 0.3635 0.4734 0.5611 0.0060 0.0132 0.0043 772 PRO A CD \n562 N N . HIS A 81 ? 0.3168 0.4120 0.4874 0.0100 0.0173 0.0000 773 HIS A N \n563 C CA . HIS A 81 ? 0.3260 0.4151 0.4860 0.0103 0.0182 -0.0011 773 HIS A CA \n564 C C . HIS A 81 ? 0.2991 0.3839 0.4534 0.0100 0.0142 -0.0023 773 HIS A C \n565 O O . HIS A 81 ? 0.3228 0.4035 0.4695 0.0093 0.0140 -0.0031 773 HIS A O \n566 C CB . HIS A 81 ? 0.2993 0.3870 0.4558 0.0080 0.0198 -0.0005 773 HIS A CB \n567 C CG . HIS A 81 ? 0.4032 0.4948 0.5647 0.0075 0.0238 0.0010 773 HIS A CG \n568 N ND1 . HIS A 81 ? 0.3713 0.4632 0.5321 0.0096 0.0287 0.0010 773 HIS A ND1 \n569 C CD2 . HIS A 81 ? 0.4626 0.5579 0.6300 0.0050 0.0236 0.0025 773 HIS A CD2 \n570 C CE1 . HIS A 81 ? 0.3658 0.4619 0.5319 0.0082 0.0319 0.0026 773 HIS A CE1 \n571 N NE2 . HIS A 81 ? 0.3285 0.4267 0.4988 0.0053 0.0287 0.0037 773 HIS A NE2 \n572 N N . VAL A 82 ? 0.3293 0.4152 0.4873 0.0103 0.0110 -0.0024 774 VAL A N \n573 C CA . VAL A 82 ? 0.3244 0.4062 0.4768 0.0097 0.0074 -0.0034 774 VAL A CA \n574 C C . VAL A 82 ? 0.3232 0.4040 0.4771 0.0121 0.0058 -0.0037 774 VAL A C \n575 O O . VAL A 82 ? 0.3463 0.4307 0.5081 0.0131 0.0048 -0.0030 774 VAL A O \n576 C CB . VAL A 82 ? 0.4008 0.4826 0.5538 0.0070 0.0039 -0.0034 774 VAL A CB \n577 C CG1 . VAL A 82 ? 0.2900 0.3672 0.4357 0.0060 0.0013 -0.0044 774 VAL A CG1 \n578 C CG2 . VAL A 82 ? 0.3588 0.4417 0.5116 0.0051 0.0050 -0.0031 774 VAL A CG2 \n579 N N . CYS A 83 ? 0.3192 0.3949 0.4656 0.0130 0.0053 -0.0047 775 CYS A N \n580 C CA . CYS A 83 ? 0.3447 0.4175 0.4903 0.0149 0.0027 -0.0051 775 CYS A CA \n581 C C . CYS A 83 ? 0.3218 0.3934 0.4678 0.0129 -0.0021 -0.0049 775 CYS A C \n582 O O . CYS A 83 ? 0.3820 0.4530 0.5251 0.0098 -0.0033 -0.0049 775 CYS A O \n583 C CB . CYS A 83 ? 0.3039 0.3703 0.4397 0.0154 0.0027 -0.0059 775 CYS A CB \n584 S SG . CYS A 83 ? 0.3937 0.4590 0.5269 0.0183 0.0077 -0.0063 775 CYS A SG \n585 N N . ARG A 84 ? 0.2800 0.3504 0.4288 0.0146 -0.0051 -0.0049 776 ARG A N \n586 C CA . ARG A 84 ? 0.2602 0.3277 0.4076 0.0125 -0.0103 -0.0047 776 ARG A CA \n587 C C . ARG A 84 ? 0.2505 0.3112 0.3915 0.0133 -0.0138 -0.0052 776 ARG A C \n588 O O . ARG A 84 ? 0.2948 0.3540 0.4357 0.0166 -0.0130 -0.0056 776 ARG A O \n589 C CB . ARG A 84 ? 0.3903 0.4623 0.5478 0.0127 -0.0125 -0.0036 776 ARG A CB \n590 C CG . ARG A 84 ? 0.4227 0.4956 0.5870 0.0161 -0.0147 -0.0035 776 ARG A CG \n591 C CD . ARG A 84 ? 0.6046 0.6802 0.7774 0.0151 -0.0191 -0.0023 776 ARG A CD \n592 N NE . ARG A 84 ? 0.5696 0.6437 0.7469 0.0181 -0.0231 -0.0023 776 ARG A NE \n593 C CZ . ARG A 84 ? 0.6357 0.7027 0.8077 0.0171 -0.0293 -0.0024 776 ARG A CZ \n594 N NH1 . ARG A 84 ? 0.5065 0.5672 0.6682 0.0130 -0.0318 -0.0024 776 ARG A NH1 \n595 N NH2 . ARG A 84 ? 0.7123 0.7782 0.8893 0.0203 -0.0332 -0.0025 776 ARG A NH2 \n596 N N . LEU A 85 ? 0.3523 0.4081 0.4866 0.0102 -0.0174 -0.0052 777 LEU A N \n597 C CA . LEU A 85 ? 0.4424 0.4906 0.5692 0.0099 -0.0214 -0.0054 777 LEU A CA \n598 C C . LEU A 85 ? 0.4605 0.5081 0.5937 0.0124 -0.0258 -0.0050 777 LEU A C \n599 O O . LEU A 85 ? 0.3983 0.4489 0.5381 0.0117 -0.0278 -0.0043 777 LEU A O \n600 C CB . LEU A 85 ? 0.4243 0.4679 0.5421 0.0053 -0.0233 -0.0054 777 LEU A CB \n601 C CG . LEU A 85 ? 0.4833 0.5186 0.5902 0.0034 -0.0260 -0.0055 777 LEU A CG \n602 C CD1 . LEU A 85 ? 0.4002 0.4347 0.5036 0.0047 -0.0231 -0.0059 777 LEU A CD1 \n603 C CD2 . LEU A 85 ? 0.4528 0.4854 0.5520 -0.0013 -0.0263 -0.0055 777 LEU A CD2 \n604 N N . LEU A 86 ? 0.3919 0.4355 0.5237 0.0155 -0.0275 -0.0055 778 LEU A N \n605 C CA . LEU A 86 ? 0.4094 0.4519 0.5474 0.0184 -0.0323 -0.0053 778 LEU A CA \n606 C C . LEU A 86 ? 0.4495 0.4823 0.5785 0.0159 -0.0390 -0.0050 778 LEU A C \n607 O O . LEU A 86 ? 0.5158 0.5470 0.6488 0.0162 -0.0444 -0.0044 778 LEU A O \n608 C CB . LEU A 86 ? 0.3567 0.3996 0.4982 0.0238 -0.0307 -0.0062 778 LEU A CB \n609 C CG . LEU A 86 ? 0.4776 0.5295 0.6286 0.0272 -0.0242 -0.0065 778 LEU A CG \n610 C CD1 . LEU A 86 ? 0.4629 0.5123 0.6132 0.0324 -0.0227 -0.0078 778 LEU A CD1 \n611 C CD2 . LEU A 86 ? 0.6299 0.6907 0.7954 0.0281 -0.0243 -0.0056 778 LEU A CD2 \n612 N N . GLY A 87 ? 0.4424 0.4684 0.5588 0.0131 -0.0390 -0.0053 779 GLY A N \n613 C CA . GLY A 87 ? 0.4418 0.4575 0.5480 0.0106 -0.0450 -0.0050 779 GLY A CA \n614 C C . GLY A 87 ? 0.4039 0.4142 0.4970 0.0060 -0.0437 -0.0049 779 GLY A C \n615 O O . GLY A 87 ? 0.4021 0.4163 0.4942 0.0052 -0.0384 -0.0052 779 GLY A O \n616 N N . ILE A 88 ? 0.4339 0.4348 0.5170 0.0027 -0.0487 -0.0044 780 ILE A N \n617 C CA . ILE A 88 ? 0.3940 0.3896 0.4647 -0.0022 -0.0478 -0.0041 780 ILE A CA \n618 C C . ILE A 88 ? 0.4611 0.4446 0.5213 -0.0038 -0.0544 -0.0035 780 ILE A C \n619 O O . ILE A 88 ? 0.4409 0.4199 0.5025 -0.0023 -0.0601 -0.0033 780 ILE A O \n620 C CB . ILE A 88 ? 0.4429 0.4416 0.5115 -0.0068 -0.0451 -0.0039 780 ILE A CB \n621 C CG1 . ILE A 88 ? 0.4507 0.4467 0.5088 -0.0118 -0.0426 -0.0037 780 ILE A CG1 \n622 C CG2 . ILE A 88 ? 0.4840 0.4783 0.5513 -0.0084 -0.0499 -0.0034 780 ILE A CG2 \n623 C CD1 . ILE A 88 ? 0.5010 0.5021 0.5590 -0.0151 -0.0383 -0.0039 780 ILE A CD1 \n624 N N . CYS A 89 ? 0.4241 0.4021 0.4739 -0.0069 -0.0539 -0.0032 781 CYS A N \n625 C CA . CYS A 89 ? 0.5001 0.4657 0.5380 -0.0093 -0.0600 -0.0024 781 CYS A CA \n626 C C . CYS A 89 ? 0.5421 0.5047 0.5688 -0.0162 -0.0579 -0.0016 781 CYS A C \n627 O O . CYS A 89 ? 0.5386 0.5047 0.5643 -0.0174 -0.0536 -0.0016 781 CYS A O \n628 C CB . CYS A 89 ? 0.5332 0.4940 0.5704 -0.0050 -0.0626 -0.0029 781 CYS A CB \n629 S SG . CYS A 89 ? 0.6760 0.6198 0.6973 -0.0079 -0.0708 -0.0019 781 CYS A SG \n630 N N . LEU A 90 ? 0.5191 0.4755 0.5376 -0.0208 -0.0607 -0.0008 782 LEU A N \n631 C CA . LEU A 90 ? 0.6776 0.6306 0.6849 -0.0277 -0.0585 0.0000 782 LEU A CA \n632 C C . LEU A 90 ? 0.7556 0.6950 0.7494 -0.0309 -0.0645 0.0012 782 LEU A C \n633 O O . LEU A 90 ? 0.7032 0.6334 0.6929 -0.0299 -0.0713 0.0015 782 LEU A O \n634 C CB . LEU A 90 ? 0.6064 0.5606 0.6114 -0.0313 -0.0568 0.0000 782 LEU A CB \n635 C CG . LEU A 90 ? 0.6390 0.6052 0.6562 -0.0286 -0.0516 -0.0011 782 LEU A CG \n636 C CD1 . LEU A 90 ? 0.7460 0.7101 0.7589 -0.0317 -0.0516 -0.0012 782 LEU A CD1 \n637 C CD2 . LEU A 90 ? 0.5959 0.5721 0.6179 -0.0289 -0.0445 -0.0016 782 LEU A CD2 \n638 N N . THR A 91 ? 0.7468 0.6851 0.7344 -0.0344 -0.0624 0.0019 783 THR A N \n639 C CA . THR A 91 ? 0.7666 0.6920 0.7401 -0.0387 -0.0675 0.0034 783 THR A CA \n640 C C . THR A 91 ? 0.7453 0.6729 0.7121 -0.0461 -0.0626 0.0046 783 THR A C \n641 O O . THR A 91 ? 0.8968 0.8296 0.8639 -0.0493 -0.0582 0.0044 783 THR A O \n642 C CB . THR A 91 ? 0.7592 0.6801 0.7327 -0.0347 -0.0709 0.0033 783 THR A CB \n643 O OG1 . THR A 91 ? 0.8318 0.7621 0.8118 -0.0336 -0.0651 0.0029 783 THR A OG1 \n644 C CG2 . THR A 91 ? 0.7956 0.7151 0.7768 -0.0269 -0.0752 0.0020 783 THR A CG2 \n645 N N . SER A 92 ? 0.8181 0.7420 0.7791 -0.0488 -0.0633 0.0057 784 SER A N \n646 C CA . SER A 92 ? 0.8307 0.7600 0.7893 -0.0549 -0.0580 0.0068 784 SER A CA \n647 C C . SER A 92 ? 0.8727 0.8166 0.8451 -0.0515 -0.0513 0.0055 784 SER A C \n648 O O . SER A 92 ? 0.9563 0.9082 0.9308 -0.0555 -0.0458 0.0059 784 SER A O \n649 C CB . SER A 92 ? 0.8791 0.7990 0.8272 -0.0591 -0.0618 0.0086 784 SER A CB \n650 O OG . SER A 92 ? 1.0234 0.9409 0.9749 -0.0533 -0.0650 0.0080 784 SER A OG \n651 N N . THR A 93 ? 0.7430 0.6904 0.7247 -0.0441 -0.0520 0.0041 785 THR A N \n652 C CA . THR A 93 ? 0.6585 0.6185 0.6529 -0.0403 -0.0463 0.0028 785 THR A CA \n653 C C . THR A 93 ? 0.6217 0.5874 0.6258 -0.0348 -0.0452 0.0012 785 THR A C \n654 O O . THR A 93 ? 0.6195 0.5790 0.6218 -0.0328 -0.0497 0.0010 785 THR A O \n655 C CB . THR A 93 ? 0.6707 0.6299 0.6675 -0.0363 -0.0474 0.0026 785 THR A CB \n656 O OG1 . THR A 93 ? 0.6428 0.5963 0.6407 -0.0302 -0.0518 0.0017 785 THR A OG1 \n657 C CG2 . THR A 93 ? 0.7795 0.7315 0.7663 -0.0414 -0.0498 0.0044 785 THR A CG2 \n658 N N . VAL A 94 ? 0.5854 0.5625 0.5998 -0.0327 -0.0397 0.0002 786 VAL A N \n659 C CA . VAL A 94 ? 0.4870 0.4702 0.5118 -0.0273 -0.0385 -0.0010 786 VAL A CA \n660 C C . VAL A 94 ? 0.4544 0.4397 0.4859 -0.0213 -0.0385 -0.0017 786 VAL A C \n661 O O . VAL A 94 ? 0.4946 0.4834 0.5278 -0.0211 -0.0357 -0.0017 786 VAL A O \n662 C CB . VAL A 94 ? 0.4730 0.4664 0.5045 -0.0281 -0.0327 -0.0018 786 VAL A CB \n663 C CG1 . VAL A 94 ? 0.6057 0.6046 0.6474 -0.0231 -0.0321 -0.0029 786 VAL A CG1 \n664 C CG2 . VAL A 94 ? 0.6032 0.5943 0.6272 -0.0338 -0.0320 -0.0014 786 VAL A CG2 \n665 N N . GLN A 95 ? 0.4584 0.4416 0.4940 -0.0164 -0.0415 -0.0023 787 GLN A N \n666 C CA . GLN A 95 ? 0.4419 0.4279 0.4847 -0.0103 -0.0406 -0.0032 787 GLN A CA \n667 C C . GLN A 95 ? 0.4876 0.4817 0.5422 -0.0061 -0.0385 -0.0041 787 GLN A C \n668 O O . GLN A 95 ? 0.4376 0.4302 0.4943 -0.0055 -0.0416 -0.0041 787 GLN A O \n669 C CB . GLN A 95 ? 0.4872 0.4634 0.5248 -0.0074 -0.0459 -0.0033 787 GLN A CB \n670 C CG . GLN A 95 ? 0.4922 0.4603 0.5186 -0.0106 -0.0478 -0.0024 787 GLN A CG \n671 C CD . GLN A 95 ? 0.5414 0.4986 0.5618 -0.0074 -0.0535 -0.0026 787 GLN A CD \n672 O OE1 . GLN A 95 ? 0.5364 0.4926 0.5583 -0.0028 -0.0529 -0.0035 787 GLN A OE1 \n673 N NE2 . GLN A 95 ? 0.5690 0.5172 0.5821 -0.0096 -0.0592 -0.0019 787 GLN A NE2 \n674 N N . LEU A 96 ? 0.4084 0.4104 0.4705 -0.0035 -0.0337 -0.0047 788 LEU A N \n675 C CA . LEU A 96 ? 0.4189 0.4292 0.4925 0.0000 -0.0311 -0.0053 788 LEU A CA \n676 C C . LEU A 96 ? 0.3588 0.3698 0.4380 0.0059 -0.0307 -0.0060 788 LEU A C \n677 O O . LEU A 96 ? 0.3879 0.3967 0.4640 0.0075 -0.0293 -0.0064 788 LEU A O \n678 C CB . LEU A 96 ? 0.3852 0.4036 0.4629 -0.0015 -0.0258 -0.0055 788 LEU A CB \n679 C CG . LEU A 96 ? 0.4145 0.4337 0.4876 -0.0069 -0.0248 -0.0052 788 LEU A CG \n680 C CD1 . LEU A 96 ? 0.4062 0.4335 0.4846 -0.0071 -0.0198 -0.0056 788 LEU A CD1 \n681 C CD2 . LEU A 96 ? 0.4478 0.4656 0.5206 -0.0085 -0.0273 -0.0050 788 LEU A CD2 \n682 N N . ILE A 97 ? 0.3539 0.3682 0.4418 0.0092 -0.0318 -0.0063 789 ILE A N \n683 C CA . ILE A 97 ? 0.3293 0.3447 0.4232 0.0151 -0.0311 -0.0071 789 ILE A CA \n684 C C . ILE A 97 ? 0.2834 0.3092 0.3895 0.0174 -0.0266 -0.0072 789 ILE A C \n685 O O . ILE A 97 ? 0.3709 0.4010 0.4826 0.0158 -0.0273 -0.0067 789 ILE A O \n686 C CB . ILE A 97 ? 0.3966 0.4059 0.4906 0.0178 -0.0371 -0.0072 789 ILE A CB \n687 C CG1 . ILE A 97 ? 0.4513 0.4488 0.5317 0.0155 -0.0416 -0.0070 789 ILE A CG1 \n688 C CG2 . ILE A 97 ? 0.4095 0.4218 0.5122 0.0246 -0.0357 -0.0083 789 ILE A CG2 \n689 C CD1 . ILE A 97 ? 0.4681 0.4609 0.5414 0.0096 -0.0455 -0.0059 789 ILE A CD1 \n690 N N . THR A 98 ? 0.2715 0.3003 0.3804 0.0209 -0.0222 -0.0079 790 THR A N \n691 C CA . THR A 98 ? 0.2916 0.3298 0.4109 0.0227 -0.0173 -0.0078 790 THR A CA \n692 C C . THR A 98 ? 0.3129 0.3524 0.4365 0.0283 -0.0142 -0.0088 790 THR A C \n693 O O . THR A 98 ? 0.3240 0.3564 0.4406 0.0308 -0.0151 -0.0096 790 THR A O \n694 C CB . THR A 98 ? 0.3272 0.3689 0.4444 0.0193 -0.0132 -0.0075 790 THR A CB \n695 O OG1 . THR A 98 ? 0.3717 0.4218 0.4986 0.0202 -0.0094 -0.0072 790 THR A OG1 \n696 C CG2 . THR A 98 ? 0.3465 0.3837 0.4556 0.0200 -0.0109 -0.0080 790 THR A CG2 \n697 N N . GLN A 99 ? 0.3274 0.3756 0.4620 0.0304 -0.0104 -0.0086 791 GLN A N \n698 C CA . GLN A 99 ? 0.3985 0.4489 0.5376 0.0357 -0.0063 -0.0096 791 GLN A CA \n699 C C . GLN A 99 ? 0.3728 0.4180 0.5017 0.0361 -0.0026 -0.0103 791 GLN A C \n700 O O . GLN A 99 ? 0.3690 0.4150 0.4939 0.0325 -0.0004 -0.0097 791 GLN A O \n701 C CB . GLN A 99 ? 0.3732 0.4343 0.5255 0.0367 -0.0021 -0.0089 791 GLN A CB \n702 C CG . GLN A 99 ? 0.4730 0.5375 0.6303 0.0419 0.0035 -0.0099 791 GLN A CG \n703 C CD . GLN A 99 ? 0.6244 0.7001 0.7950 0.0420 0.0079 -0.0089 791 GLN A CD \n704 O OE1 . GLN A 99 ? 0.5789 0.6593 0.7541 0.0380 0.0067 -0.0075 791 GLN A OE1 \n705 N NE2 . GLN A 99 ? 0.6961 0.7758 0.8724 0.0466 0.0132 -0.0097 791 GLN A NE2 \n706 N N . LEU A 100 ? 0.3403 0.3796 0.4645 0.0404 -0.0023 -0.0116 792 LEU A N \n707 C CA . LEU A 100 ? 0.3815 0.4147 0.4952 0.0410 0.0007 -0.0123 792 LEU A CA \n708 C C . LEU A 100 ? 0.4952 0.5346 0.6133 0.0422 0.0078 -0.0122 792 LEU A C \n709 O O . LEU A 100 ? 0.3776 0.4238 0.5059 0.0456 0.0112 -0.0126 792 LEU A O \n710 C CB . LEU A 100 ? 0.3286 0.3526 0.4351 0.0457 -0.0007 -0.0138 792 LEU A CB \n711 C CG . LEU A 100 ? 0.3904 0.4062 0.4846 0.0465 0.0017 -0.0145 792 LEU A CG \n712 C CD1 . LEU A 100 ? 0.3710 0.3815 0.4552 0.0404 -0.0016 -0.0133 792 LEU A CD1 \n713 C CD2 . LEU A 100 ? 0.3924 0.3992 0.4802 0.0522 0.0008 -0.0164 792 LEU A CD2 \n714 N N . MET A 101 ? 0.3887 0.4258 0.4994 0.0390 0.0098 -0.0118 793 MET A N \n715 C CA . MET A 101 ? 0.4374 0.4782 0.5495 0.0396 0.0161 -0.0117 793 MET A CA \n716 C C . MET A 101 ? 0.4038 0.4348 0.5036 0.0420 0.0180 -0.0128 793 MET A C \n717 O O . MET A 101 ? 0.3648 0.3892 0.4544 0.0390 0.0162 -0.0124 793 MET A O \n718 C CB . MET A 101 ? 0.3443 0.3889 0.4569 0.0344 0.0166 -0.0103 793 MET A CB \n719 C CG . MET A 101 ? 0.5458 0.5983 0.6684 0.0316 0.0145 -0.0092 793 MET A CG \n720 S SD . MET A 101 ? 0.6483 0.7117 0.7850 0.0333 0.0192 -0.0086 793 MET A SD \n721 C CE . MET A 101 ? 0.5493 0.6154 0.6950 0.0360 0.0150 -0.0089 793 MET A CE \n722 N N . PRO A 102 ? 0.4067 0.4365 0.5073 0.0476 0.0216 -0.0142 794 PRO A N \n723 C CA . PRO A 102 ? 0.3543 0.3727 0.4416 0.0503 0.0223 -0.0156 794 PRO A CA \n724 C C . PRO A 102 ? 0.3264 0.3414 0.4058 0.0494 0.0273 -0.0154 794 PRO A C \n725 O O . PRO A 102 ? 0.4113 0.4156 0.4780 0.0509 0.0272 -0.0163 794 PRO A O \n726 C CB . PRO A 102 ? 0.5040 0.5228 0.5959 0.0572 0.0246 -0.0174 794 PRO A CB \n727 C CG . PRO A 102 ? 0.5059 0.5383 0.6140 0.0577 0.0286 -0.0168 794 PRO A CG \n728 C CD . PRO A 102 ? 0.5088 0.5471 0.6225 0.0518 0.0246 -0.0148 794 PRO A CD \n729 N N . PHE A 103 ? 0.3433 0.3664 0.4292 0.0467 0.0310 -0.0142 795 PHE A N \n730 C CA . PHE A 103 ? 0.3946 0.4129 0.4713 0.0448 0.0343 -0.0138 795 PHE A CA \n731 C C . PHE A 103 ? 0.3683 0.3813 0.4371 0.0396 0.0291 -0.0127 795 PHE A C \n732 O O . PHE A 103 ? 0.4552 0.4619 0.5145 0.0380 0.0302 -0.0123 795 PHE A O \n733 C CB . PHE A 103 ? 0.4566 0.4837 0.5413 0.0439 0.0403 -0.0129 795 PHE A CB \n734 C CG . PHE A 103 ? 0.5572 0.5894 0.6490 0.0489 0.0466 -0.0140 795 PHE A CG \n735 C CD1 . PHE A 103 ? 0.6227 0.6676 0.7299 0.0487 0.0492 -0.0130 795 PHE A CD1 \n736 C CD2 . PHE A 103 ? 0.7015 0.7257 0.7848 0.0540 0.0497 -0.0159 795 PHE A CD2 \n737 C CE1 . PHE A 103 ? 0.8664 0.9173 0.9819 0.0532 0.0551 -0.0139 795 PHE A CE1 \n738 C CE2 . PHE A 103 ? 0.7734 0.8031 0.8642 0.0591 0.0560 -0.0171 795 PHE A CE2 \n739 C CZ . PHE A 103 ? 0.8085 0.8523 0.9161 0.0586 0.0588 -0.0161 795 PHE A CZ \n740 N N . GLY A 104 ? 0.3761 0.3917 0.4489 0.0371 0.0236 -0.0121 796 GLY A N \n741 C CA . GLY A 104 ? 0.4056 0.4165 0.4716 0.0324 0.0185 -0.0111 796 GLY A CA \n742 C C . GLY A 104 ? 0.3938 0.4113 0.4649 0.0280 0.0185 -0.0098 796 GLY A C \n743 O O . GLY A 104 ? 0.3608 0.3869 0.4414 0.0280 0.0215 -0.0094 796 GLY A O \n744 N N . CYS A 105 ? 0.3610 0.3744 0.4261 0.0243 0.0149 -0.0091 797 CYS A N \n745 C CA . CYS A 105 ? 0.3421 0.3614 0.4121 0.0206 0.0147 -0.0081 797 CYS A CA \n746 C C . CYS A 105 ? 0.3611 0.3783 0.4274 0.0204 0.0179 -0.0077 797 CYS A C \n747 O O . CYS A 105 ? 0.3583 0.3670 0.4150 0.0222 0.0196 -0.0081 797 CYS A O \n748 C CB . CYS A 105 ? 0.5173 0.5354 0.5852 0.0167 0.0096 -0.0075 797 CYS A CB \n749 S SG . CYS A 105 ? 0.7160 0.7223 0.7704 0.0157 0.0067 -0.0072 797 CYS A SG \n750 N N . LEU A 106 ? 0.4149 0.4386 0.4878 0.0182 0.0186 -0.0069 798 LEU A N \n751 C CA . LEU A 106 ? 0.4063 0.4280 0.4759 0.0174 0.0212 -0.0064 798 LEU A CA \n752 C C . LEU A 106 ? 0.3466 0.3595 0.4060 0.0155 0.0179 -0.0061 798 LEU A C \n753 O O . LEU A 106 ? 0.3853 0.3915 0.4369 0.0157 0.0196 -0.0059 798 LEU A O \n754 C CB . LEU A 106 ? 0.3199 0.3500 0.3987 0.0152 0.0218 -0.0056 798 LEU A CB \n755 C CG . LEU A 106 ? 0.3493 0.3778 0.4257 0.0144 0.0248 -0.0049 798 LEU A CG \n756 C CD1 . LEU A 106 ? 0.4080 0.4343 0.4812 0.0171 0.0306 -0.0050 798 LEU A CD1 \n757 C CD2 . LEU A 106 ? 0.3291 0.3657 0.4149 0.0124 0.0248 -0.0041 798 LEU A CD2 \n758 N N . LEU A 107 ? 0.3785 0.3911 0.4379 0.0135 0.0130 -0.0060 799 LEU A N \n759 C CA . LEU A 107 ? 0.3699 0.3747 0.4209 0.0114 0.0092 -0.0055 799 LEU A CA \n760 C C . LEU A 107 ? 0.4027 0.3960 0.4413 0.0135 0.0096 -0.0059 799 LEU A C \n761 O O . LEU A 107 ? 0.3910 0.3759 0.4204 0.0129 0.0090 -0.0055 799 LEU A O \n762 C CB . LEU A 107 ? 0.3957 0.4033 0.4501 0.0087 0.0043 -0.0052 799 LEU A CB \n763 C CG . LEU A 107 ? 0.3809 0.3812 0.4279 0.0063 -0.0002 -0.0044 799 LEU A CG \n764 C CD1 . LEU A 107 ? 0.4512 0.4507 0.4980 0.0050 -0.0009 -0.0039 799 LEU A CD1 \n765 C CD2 . LEU A 107 ? 0.4496 0.4535 0.5005 0.0034 -0.0044 -0.0040 799 LEU A CD2 \n766 N N . ASP A 108 ? 0.4040 0.3961 0.4416 0.0161 0.0105 -0.0067 800 ASP A N \n767 C CA . ASP A 108 ? 0.4402 0.4206 0.4654 0.0186 0.0109 -0.0074 800 ASP A CA \n768 C C . ASP A 108 ? 0.4029 0.3806 0.4241 0.0213 0.0168 -0.0079 800 ASP A C \n769 O O . ASP A 108 ? 0.4211 0.3876 0.4298 0.0222 0.0172 -0.0081 800 ASP A O \n770 C CB . ASP A 108 ? 0.4416 0.4208 0.4667 0.0211 0.0101 -0.0083 800 ASP A CB \n771 C CG . ASP A 108 ? 0.6607 0.6389 0.6853 0.0179 0.0039 -0.0076 800 ASP A CG \n772 O OD1 . ASP A 108 ? 0.7045 0.6852 0.7327 0.0188 0.0027 -0.0080 800 ASP A OD1 \n773 O OD2 . ASP A 108 ? 0.6367 0.6116 0.6575 0.0144 0.0001 -0.0066 800 ASP A OD2 \n774 N N . TYR A 109 ? 0.4114 0.3990 0.4430 0.0223 0.0213 -0.0079 801 TYR A N \n775 C CA . TYR A 109 ? 0.4642 0.4512 0.4939 0.0245 0.0278 -0.0082 801 TYR A CA \n776 C C . TYR A 109 ? 0.4581 0.4390 0.4798 0.0219 0.0280 -0.0073 801 TYR A C \n777 O O . TYR A 109 ? 0.4642 0.4361 0.4749 0.0235 0.0313 -0.0077 801 TYR A O \n778 C CB . TYR A 109 ? 0.3880 0.3878 0.4318 0.0252 0.0317 -0.0081 801 TYR A CB \n779 C CG . TYR A 109 ? 0.5007 0.5013 0.5441 0.0277 0.0390 -0.0084 801 TYR A CG \n780 C CD1 . TYR A 109 ? 0.4992 0.5000 0.5411 0.0253 0.0419 -0.0073 801 TYR A CD1 \n781 C CD2 . TYR A 109 ? 0.4948 0.4961 0.5395 0.0323 0.0432 -0.0098 801 TYR A CD2 \n782 C CE1 . TYR A 109 ? 0.5599 0.5617 0.6014 0.0271 0.0492 -0.0074 801 TYR A CE1 \n783 C CE2 . TYR A 109 ? 0.5858 0.5888 0.6311 0.0346 0.0507 -0.0101 801 TYR A CE2 \n784 C CZ . TYR A 109 ? 0.5949 0.5983 0.6384 0.0317 0.0539 -0.0088 801 TYR A CZ \n785 O OH . TYR A 109 ? 0.6514 0.6569 0.6953 0.0334 0.0617 -0.0089 801 TYR A OH \n786 N N . VAL A 110 ? 0.4315 0.4164 0.4580 0.0182 0.0243 -0.0061 802 VAL A N \n787 C CA . VAL A 110 ? 0.4178 0.3958 0.4365 0.0158 0.0232 -0.0052 802 VAL A CA \n788 C C . VAL A 110 ? 0.4576 0.4216 0.4616 0.0152 0.0191 -0.0051 802 VAL A C \n789 O O . VAL A 110 ? 0.4756 0.4302 0.4688 0.0146 0.0201 -0.0047 802 VAL A O \n790 C CB . VAL A 110 ? 0.4476 0.4329 0.4752 0.0124 0.0200 -0.0041 802 VAL A CB \n791 C CG1 . VAL A 110 ? 0.3984 0.3953 0.4382 0.0128 0.0240 -0.0040 802 VAL A CG1 \n792 C CG2 . VAL A 110 ? 0.3762 0.3643 0.4084 0.0106 0.0137 -0.0041 802 VAL A CG2 \n793 N N . ARG A 111 ? 0.4573 0.4196 0.4608 0.0149 0.0143 -0.0053 803 ARG A N \n794 C CA . ARG A 111 ? 0.4527 0.4016 0.4426 0.0142 0.0098 -0.0052 803 ARG A CA \n795 C C . ARG A 111 ? 0.4703 0.4081 0.4470 0.0178 0.0141 -0.0063 803 ARG A C \n796 O O . ARG A 111 ? 0.5044 0.4293 0.4670 0.0173 0.0130 -0.0061 803 ARG A O \n797 C CB . ARG A 111 ? 0.4974 0.4480 0.4906 0.0130 0.0043 -0.0051 803 ARG A CB \n798 C CG . ARG A 111 ? 0.5260 0.4836 0.5281 0.0091 -0.0007 -0.0039 803 ARG A CG \n799 C CD . ARG A 111 ? 0.4890 0.4510 0.4965 0.0077 -0.0045 -0.0038 803 ARG A CD \n800 N NE . ARG A 111 ? 0.4054 0.3742 0.4213 0.0040 -0.0089 -0.0028 803 ARG A NE \n801 C CZ . ARG A 111 ? 0.5389 0.5119 0.5596 0.0018 -0.0124 -0.0023 803 ARG A CZ \n802 N NH1 . ARG A 111 ? 0.5208 0.4913 0.5384 0.0027 -0.0127 -0.0027 803 ARG A NH1 \n803 N NH2 . ARG A 111 ? 0.4661 0.4458 0.4949 -0.0013 -0.0157 -0.0015 803 ARG A NH2 \n804 N N . GLU A 112 ? 0.5156 0.4585 0.4970 0.0215 0.0190 -0.0076 804 GLU A N \n805 C CA . GLU A 112 ? 0.5553 0.4889 0.5255 0.0258 0.0237 -0.0091 804 GLU A CA \n806 C C . GLU A 112 ? 0.6571 0.5881 0.6220 0.0267 0.0306 -0.0092 804 GLU A C \n807 O O . GLU A 112 ? 0.5822 0.5000 0.5318 0.0284 0.0329 -0.0099 804 GLU A O \n808 C CB . GLU A 112 ? 0.5509 0.4913 0.5291 0.0298 0.0263 -0.0106 804 GLU A CB \n809 C CG . GLU A 112 ? 0.7811 0.7131 0.7497 0.0351 0.0315 -0.0125 804 GLU A CG \n810 C CD . GLU A 112 ? 1.0209 0.9387 0.9757 0.0363 0.0266 -0.0133 804 GLU A CD \n811 O OE1 . GLU A 112 ? 1.0297 0.9415 0.9790 0.0324 0.0194 -0.0120 804 GLU A OE1 \n812 O OE2 . GLU A 112 ? 1.2961 1.2086 1.2455 0.0413 0.0297 -0.0153 804 GLU A OE2 \n813 N N . HIS A 113 ? 0.5199 0.4626 0.4966 0.0254 0.0340 -0.0085 805 HIS A N \n814 C CA . HIS A 113 ? 0.5767 0.5193 0.5508 0.0261 0.0414 -0.0084 805 HIS A CA \n815 C C . HIS A 113 ? 0.5795 0.5185 0.5490 0.0218 0.0399 -0.0067 805 HIS A C \n816 O O . HIS A 113 ? 0.6858 0.6267 0.6553 0.0213 0.0457 -0.0062 805 HIS A O \n817 C CB . HIS A 113 ? 0.5816 0.5393 0.5716 0.0280 0.0473 -0.0087 805 HIS A CB \n818 C CG . HIS A 113 ? 0.6849 0.6450 0.6785 0.0329 0.0495 -0.0105 805 HIS A CG \n819 N ND1 . HIS A 113 ? 0.7015 0.6694 0.7060 0.0334 0.0453 -0.0108 805 HIS A ND1 \n820 C CD2 . HIS A 113 ? 0.7209 0.6756 0.7076 0.0376 0.0551 -0.0123 805 HIS A CD2 \n821 C CE1 . HIS A 113 ? 0.7756 0.7428 0.7802 0.0382 0.0478 -0.0125 805 HIS A CE1 \n822 N NE2 . HIS A 113 ? 0.8042 0.7638 0.7986 0.0410 0.0539 -0.0136 805 HIS A NE2 \n823 N N . LYS A 114 ? 0.6002 0.5337 0.5659 0.0187 0.0321 -0.0057 806 LYS A N \n824 C CA . LYS A 114 ? 0.6080 0.5379 0.5702 0.0147 0.0292 -0.0042 806 LYS A CA \n825 C C . LYS A 114 ? 0.7608 0.6818 0.7108 0.0144 0.0349 -0.0038 806 LYS A C \n826 O O . LYS A 114 ? 0.7233 0.6492 0.6778 0.0123 0.0372 -0.0027 806 LYS A O \n827 C CB . LYS A 114 ? 0.5873 0.5082 0.5427 0.0123 0.0202 -0.0035 806 LYS A CB \n828 C CG . LYS A 114 ? 0.7904 0.7055 0.7408 0.0086 0.0163 -0.0020 806 LYS A CG \n829 C CD . LYS A 114 ? 0.8675 0.7736 0.8116 0.0063 0.0072 -0.0012 806 LYS A CD \n830 C CE . LYS A 114 ? 0.8782 0.7789 0.8185 0.0030 0.0031 0.0001 806 LYS A CE \n831 N NZ . LYS A 114 ? 0.8261 0.7127 0.7543 0.0011 -0.0048 0.0010 806 LYS A NZ \n832 N N . ASP A 115 ? 0.7263 0.6340 0.6603 0.0165 0.0373 -0.0048 807 ASP A N \n833 C CA . ASP A 115 ? 0.7804 0.6772 0.6997 0.0161 0.0427 -0.0045 807 ASP A CA \n834 C C . ASP A 115 ? 0.8540 0.7601 0.7799 0.0176 0.0530 -0.0048 807 ASP A C \n835 O O . ASP A 115 ? 0.7816 0.6802 0.6964 0.0167 0.0585 -0.0044 807 ASP A O \n836 C CB . ASP A 115 ? 0.8687 0.7477 0.7680 0.0182 0.0425 -0.0057 807 ASP A CB \n837 C CG . ASP A 115 ? 1.0147 0.8829 0.9061 0.0159 0.0319 -0.0050 807 ASP A CG \n838 O OD1 . ASP A 115 ? 0.9490 0.8207 0.8468 0.0121 0.0255 -0.0033 807 ASP A OD1 \n839 O OD2 . ASP A 115 ? 1.0384 0.8947 0.9173 0.0178 0.0300 -0.0060 807 ASP A OD2 \n840 N N . ASN A 116 ? 0.6258 0.5480 0.5695 0.0196 0.0555 -0.0054 808 ASN A N \n841 C CA . ASN A 116 ? 0.7510 0.6839 0.7038 0.0209 0.0647 -0.0054 808 ASN A CA \n842 C C . ASN A 116 ? 0.6852 0.6342 0.6568 0.0185 0.0639 -0.0041 808 ASN A C \n843 O O . ASN A 116 ? 0.6441 0.6033 0.6254 0.0191 0.0706 -0.0038 808 ASN A O \n844 C CB . ASN A 116 ? 0.6487 0.5854 0.6049 0.0265 0.0703 -0.0076 808 ASN A CB \n845 C CG . ASN A 116 ? 0.8406 0.7616 0.7774 0.0294 0.0744 -0.0091 808 ASN A CG \n846 O OD1 . ASN A 116 ? 0.9816 0.8953 0.9072 0.0282 0.0800 -0.0087 808 ASN A OD1 \n847 N ND2 . ASN A 116 ? 0.8244 0.7393 0.7563 0.0330 0.0715 -0.0109 808 ASN A ND2 \n848 N N . ILE A 117 ? 0.6391 0.5902 0.6160 0.0158 0.0556 -0.0032 809 ILE A N \n849 C CA . ILE A 117 ? 0.5335 0.4983 0.5269 0.0136 0.0539 -0.0021 809 ILE A CA \n850 C C . ILE A 117 ? 0.5969 0.5588 0.5868 0.0093 0.0532 -0.0002 809 ILE A C \n851 O O . ILE A 117 ? 0.5430 0.4950 0.5235 0.0069 0.0474 0.0003 809 ILE A O \n852 C CB . ILE A 117 ? 0.5302 0.5001 0.5324 0.0134 0.0460 -0.0024 809 ILE A CB \n853 C CG1 . ILE A 117 ? 0.4537 0.4281 0.4612 0.0173 0.0468 -0.0040 809 ILE A CG1 \n854 C CG2 . ILE A 117 ? 0.4892 0.4707 0.5056 0.0108 0.0437 -0.0013 809 ILE A CG2 \n855 C CD1 . ILE A 117 ? 0.4454 0.4207 0.4564 0.0169 0.0391 -0.0044 809 ILE A CD1 \n856 N N . GLY A 118 ? 0.5449 0.5155 0.5429 0.0081 0.0587 0.0007 810 GLY A N \n857 C CA . GLY A 118 ? 0.5873 0.5558 0.5829 0.0037 0.0583 0.0026 810 GLY A CA \n858 C C . GLY A 118 ? 0.5178 0.4959 0.5269 0.0015 0.0529 0.0035 810 GLY A C \n859 O O . GLY A 118 ? 0.5092 0.4971 0.5308 0.0032 0.0504 0.0027 810 GLY A O \n860 N N . SER A 119 ? 0.4714 0.4457 0.4770 -0.0023 0.0510 0.0052 811 SER A N \n861 C CA . SER A 119 ? 0.5029 0.4838 0.5189 -0.0043 0.0453 0.0059 811 SER A CA \n862 C C . SER A 119 ? 0.5052 0.5011 0.5379 -0.0038 0.0480 0.0060 811 SER A C \n863 O O . SER A 119 ? 0.4350 0.4377 0.4779 -0.0037 0.0431 0.0056 811 SER A O \n864 C CB . SER A 119 ? 0.5489 0.5218 0.5569 -0.0084 0.0431 0.0076 811 SER A CB \n865 O OG . SER A 119 ? 0.5924 0.5636 0.5952 -0.0103 0.0506 0.0090 811 SER A OG \n866 N N . GLN A 120 ? 0.4439 0.4446 0.4793 -0.0036 0.0559 0.0066 812 GLN A N \n867 C CA . GLN A 120 ? 0.4489 0.4637 0.5003 -0.0035 0.0585 0.0071 812 GLN A CA \n868 C C . GLN A 120 ? 0.4343 0.4570 0.4962 0.0000 0.0561 0.0054 812 GLN A C \n869 O O . GLN A 120 ? 0.3946 0.4263 0.4687 -0.0004 0.0531 0.0056 812 GLN A O \n870 C CB . GLN A 120 ? 0.5184 0.5369 0.5708 -0.0035 0.0678 0.0080 812 GLN A CB \n871 C CG . GLN A 120 ? 0.4949 0.5279 0.5644 -0.0042 0.0703 0.0090 812 GLN A CG \n872 C CD . GLN A 120 ? 0.5588 0.5933 0.6318 -0.0091 0.0671 0.0112 812 GLN A CD \n873 O OE1 . GLN A 120 ? 0.5296 0.5608 0.5971 -0.0127 0.0707 0.0132 812 GLN A OE1 \n874 N NE2 . GLN A 120 ? 0.4927 0.5318 0.5741 -0.0092 0.0604 0.0109 812 GLN A NE2 \n875 N N . TYR A 121 ? 0.3846 0.4033 0.4409 0.0035 0.0573 0.0038 813 TYR A N \n876 C CA . TYR A 121 ? 0.3790 0.4039 0.4437 0.0067 0.0550 0.0022 813 TYR A CA \n877 C C . TYR A 121 ? 0.3641 0.3887 0.4309 0.0058 0.0469 0.0018 813 TYR A C \n878 O O . TYR A 121 ? 0.3389 0.3720 0.4168 0.0064 0.0445 0.0014 813 TYR A O \n879 C CB . TYR A 121 ? 0.4580 0.4766 0.5143 0.0105 0.0575 0.0005 813 TYR A CB \n880 C CG . TYR A 121 ? 0.6258 0.6496 0.6862 0.0132 0.0655 0.0002 813 TYR A CG \n881 C CD1 . TYR A 121 ? 0.6517 0.6852 0.7245 0.0164 0.0662 -0.0007 813 TYR A CD1 \n882 C CD2 . TYR A 121 ? 0.6474 0.6665 0.6996 0.0126 0.0724 0.0008 813 TYR A CD2 \n883 C CE1 . TYR A 121 ? 0.8278 0.8668 0.9058 0.0193 0.0734 -0.0011 813 TYR A CE1 \n884 C CE2 . TYR A 121 ? 0.7789 0.8038 0.8360 0.0153 0.0804 0.0004 813 TYR A CE2 \n885 C CZ . TYR A 121 ? 0.8693 0.9046 0.9400 0.0189 0.0808 -0.0006 813 TYR A CZ \n886 O OH . TYR A 121 ? 0.9235 0.9653 1.0004 0.0220 0.0886 -0.0012 813 TYR A OH \n887 N N . LEU A 122 ? 0.4396 0.4543 0.4958 0.0043 0.0428 0.0018 814 LEU A N \n888 C CA . LEU A 122 ? 0.3665 0.3811 0.4249 0.0036 0.0356 0.0013 814 LEU A CA \n889 C C . LEU A 122 ? 0.4173 0.4395 0.4860 0.0016 0.0331 0.0020 814 LEU A C \n890 O O . LEU A 122 ? 0.3781 0.4062 0.4547 0.0021 0.0296 0.0012 814 LEU A O \n891 C CB . LEU A 122 ? 0.4188 0.4216 0.4649 0.0021 0.0314 0.0015 814 LEU A CB \n892 C CG . LEU A 122 ? 0.4067 0.4004 0.4418 0.0040 0.0312 0.0007 814 LEU A CG \n893 C CD1 . LEU A 122 ? 0.3933 0.3736 0.4142 0.0021 0.0289 0.0014 814 LEU A CD1 \n894 C CD2 . LEU A 122 ? 0.3891 0.3859 0.4291 0.0052 0.0264 -0.0004 814 LEU A CD2 \n895 N N . LEU A 123 ? 0.3817 0.4032 0.4495 -0.0008 0.0350 0.0035 815 LEU A N \n896 C CA . LEU A 123 ? 0.3759 0.4034 0.4524 -0.0028 0.0326 0.0042 815 LEU A CA \n897 C C . LEU A 123 ? 0.3215 0.3603 0.4107 -0.0019 0.0347 0.0042 815 LEU A C \n898 O O . LEU A 123 ? 0.2829 0.3269 0.3800 -0.0023 0.0310 0.0039 815 LEU A O \n899 C CB . LEU A 123 ? 0.3465 0.3691 0.4177 -0.0061 0.0335 0.0060 815 LEU A CB \n900 C CG . LEU A 123 ? 0.4061 0.4170 0.4656 -0.0074 0.0292 0.0061 815 LEU A CG \n901 C CD1 . LEU A 123 ? 0.4393 0.4437 0.4911 -0.0108 0.0312 0.0081 815 LEU A CD1 \n902 C CD2 . LEU A 123 ? 0.4524 0.4642 0.5162 -0.0073 0.0220 0.0052 815 LEU A CD2 \n903 N N . ASN A 124 ? 0.3434 0.3856 0.4348 -0.0006 0.0405 0.0045 816 ASN A N \n904 C CA . ASN A 124 ? 0.3484 0.4013 0.4525 0.0005 0.0420 0.0044 816 ASN A CA \n905 C C . ASN A 124 ? 0.3058 0.3612 0.4138 0.0029 0.0380 0.0027 816 ASN A C \n906 O O . ASN A 124 ? 0.3020 0.3639 0.4190 0.0027 0.0355 0.0026 816 ASN A O \n907 C CB . ASN A 124 ? 0.3402 0.3966 0.4466 0.0021 0.0491 0.0048 816 ASN A CB \n908 C CG . ASN A 124 ? 0.4751 0.5329 0.5821 -0.0009 0.0537 0.0069 816 ASN A CG \n909 O OD1 . ASN A 124 ? 0.5089 0.5652 0.6152 -0.0044 0.0510 0.0083 816 ASN A OD1 \n910 N ND2 . ASN A 124 ? 0.5045 0.5652 0.6127 0.0004 0.0607 0.0072 816 ASN A ND2 \n911 N N . TRP A 125 ? 0.3493 0.3987 0.4495 0.0049 0.0370 0.0014 817 TRP A N \n912 C CA . TRP A 125 ? 0.3803 0.4316 0.4835 0.0064 0.0330 0.0000 817 TRP A CA \n913 C C . TRP A 125 ? 0.3072 0.3602 0.4139 0.0045 0.0278 0.0000 817 TRP A C \n914 O O . TRP A 125 ? 0.2947 0.3528 0.4079 0.0050 0.0255 -0.0007 817 TRP A O \n915 C CB . TRP A 125 ? 0.4000 0.4440 0.4940 0.0082 0.0322 -0.0010 817 TRP A CB \n916 C CG . TRP A 125 ? 0.4051 0.4471 0.4957 0.0110 0.0372 -0.0014 817 TRP A CG \n917 C CD1 . TRP A 125 ? 0.4358 0.4846 0.5342 0.0128 0.0414 -0.0013 817 TRP A CD1 \n918 C CD2 . TRP A 125 ? 0.3837 0.4162 0.4623 0.0123 0.0385 -0.0020 817 TRP A CD2 \n919 N NE1 . TRP A 125 ? 0.3879 0.4321 0.4799 0.0157 0.0456 -0.0021 817 TRP A NE1 \n920 C CE2 . TRP A 125 ? 0.4976 0.5312 0.5766 0.0153 0.0439 -0.0025 817 TRP A CE2 \n921 C CE3 . TRP A 125 ? 0.4140 0.4367 0.4814 0.0113 0.0352 -0.0021 817 TRP A CE3 \n922 C CZ2 . TRP A 125 ? 0.4287 0.4532 0.4962 0.0175 0.0466 -0.0033 817 TRP A CZ2 \n923 C CZ3 . TRP A 125 ? 0.4509 0.4642 0.5066 0.0130 0.0373 -0.0027 817 TRP A CZ3 \n924 C CH2 . TRP A 125 ? 0.4765 0.4904 0.5318 0.0162 0.0431 -0.0034 817 TRP A CH2 \n925 N N . CYS A 126 ? 0.3464 0.3947 0.4482 0.0025 0.0259 0.0003 818 CYS A N \n926 C CA . CYS A 126 ? 0.3069 0.3563 0.4116 0.0013 0.0211 0.0000 818 CYS A CA \n927 C C . CYS A 126 ? 0.2921 0.3482 0.4057 0.0003 0.0208 0.0004 818 CYS A C \n928 O O . CYS A 126 ? 0.2523 0.3117 0.3705 0.0003 0.0177 -0.0004 818 CYS A O \n929 C CB . CYS A 126 ? 0.3421 0.3845 0.4399 -0.0002 0.0189 0.0004 818 CYS A CB \n930 S SG . CYS A 126 ? 0.3710 0.4046 0.4582 0.0006 0.0172 -0.0001 818 CYS A SG \n931 N N . VAL A 127 ? 0.3164 0.3745 0.4322 -0.0007 0.0243 0.0019 819 VAL A N \n932 C CA . VAL A 127 ? 0.2773 0.3416 0.4019 -0.0020 0.0239 0.0028 819 VAL A CA \n933 C C . VAL A 127 ? 0.2173 0.2877 0.3490 -0.0003 0.0235 0.0020 819 VAL A C \n934 O O . VAL A 127 ? 0.2825 0.3557 0.4190 -0.0008 0.0203 0.0016 819 VAL A O \n935 C CB . VAL A 127 ? 0.3231 0.3894 0.4498 -0.0039 0.0281 0.0049 819 VAL A CB \n936 C CG1 . VAL A 127 ? 0.3507 0.4240 0.4876 -0.0053 0.0271 0.0059 819 VAL A CG1 \n937 C CG2 . VAL A 127 ? 0.3588 0.4182 0.4779 -0.0064 0.0276 0.0060 819 VAL A CG2 \n938 N N . GLN A 128 ? 0.2513 0.3228 0.3831 0.0017 0.0268 0.0018 820 GLN A N \n939 C CA . GLN A 128 ? 0.2343 0.3107 0.3724 0.0036 0.0263 0.0011 820 GLN A CA \n940 C C . GLN A 128 ? 0.2965 0.3717 0.4333 0.0041 0.0219 -0.0003 820 GLN A C \n941 O O . GLN A 128 ? 0.2587 0.3376 0.4011 0.0040 0.0197 -0.0005 820 GLN A O \n942 C CB . GLN A 128 ? 0.3116 0.3877 0.4483 0.0063 0.0303 0.0008 820 GLN A CB \n943 C CG . GLN A 128 ? 0.3014 0.3815 0.4428 0.0061 0.0354 0.0022 820 GLN A CG \n944 C CD . GLN A 128 ? 0.4360 0.5151 0.5750 0.0092 0.0401 0.0016 820 GLN A CD \n945 O OE1 . GLN A 128 ? 0.4226 0.4990 0.5583 0.0119 0.0390 0.0001 820 GLN A OE1 \n946 N NE2 . GLN A 128 ? 0.4222 0.5032 0.5624 0.0089 0.0458 0.0027 820 GLN A NE2 \n947 N N . ILE A 129 ? 0.2745 0.3444 0.4037 0.0043 0.0208 -0.0012 821 ILE A N \n948 C CA . ILE A 129 ? 0.2781 0.3473 0.4062 0.0043 0.0171 -0.0025 821 ILE A CA \n949 C C . ILE A 129 ? 0.2023 0.2736 0.3339 0.0027 0.0142 -0.0027 821 ILE A C \n950 O O . ILE A 129 ? 0.2201 0.2936 0.3545 0.0026 0.0121 -0.0034 821 ILE A O \n951 C CB . ILE A 129 ? 0.3011 0.3648 0.4214 0.0047 0.0162 -0.0033 821 ILE A CB \n952 C CG1 . ILE A 129 ? 0.2612 0.3216 0.3769 0.0065 0.0184 -0.0033 821 ILE A CG1 \n953 C CG2 . ILE A 129 ? 0.2427 0.3072 0.3634 0.0041 0.0127 -0.0044 821 ILE A CG2 \n954 C CD1 . ILE A 129 ? 0.2546 0.3081 0.3614 0.0065 0.0177 -0.0036 821 ILE A CD1 \n955 N N . ALA A 130 ? 0.2263 0.2961 0.3571 0.0013 0.0141 -0.0020 822 ALA A N \n956 C CA . ALA A 130 ? 0.2648 0.3356 0.3983 0.0001 0.0114 -0.0023 822 ALA A CA \n957 C C . ALA A 130 ? 0.2176 0.2927 0.3577 -0.0005 0.0110 -0.0015 822 ALA A C \n958 O O . ALA A 130 ? 0.2110 0.2869 0.3528 -0.0010 0.0083 -0.0023 822 ALA A O \n959 C CB . ALA A 130 ? 0.3410 0.4080 0.4714 -0.0011 0.0108 -0.0016 822 ALA A CB \n960 N N . LYS A 131 ? 0.2165 0.2944 0.3604 -0.0005 0.0136 -0.0001 823 LYS A N \n961 C CA . LYS A 131 ? 0.2365 0.3187 0.3876 -0.0012 0.0124 0.0006 823 LYS A CA \n962 C C . LYS A 131 ? 0.2161 0.2993 0.3682 0.0000 0.0104 -0.0006 823 LYS A C \n963 O O . LYS A 131 ? 0.2511 0.3350 0.4057 -0.0009 0.0074 -0.0007 823 LYS A O \n964 C CB . LYS A 131 ? 0.2041 0.2903 0.3607 -0.0013 0.0159 0.0023 823 LYS A CB \n965 C CG . LYS A 131 ? 0.2813 0.3670 0.4377 -0.0035 0.0178 0.0041 823 LYS A CG \n966 C CD . LYS A 131 ? 0.3170 0.4080 0.4799 -0.0036 0.0221 0.0058 823 LYS A CD \n967 C CE . LYS A 131 ? 0.3869 0.4766 0.5481 -0.0065 0.0244 0.0077 823 LYS A CE \n968 N NZ . LYS A 131 ? 0.3992 0.4952 0.5680 -0.0073 0.0289 0.0096 823 LYS A NZ \n969 N N . GLY A 132 ? 0.2438 0.3263 0.3933 0.0018 0.0118 -0.0013 824 GLY A N \n970 C CA . GLY A 132 ? 0.2949 0.3773 0.4442 0.0027 0.0097 -0.0023 824 GLY A CA \n971 C C . GLY A 132 ? 0.2556 0.3358 0.4010 0.0017 0.0070 -0.0037 824 GLY A C \n972 O O . GLY A 132 ? 0.2320 0.3121 0.3780 0.0012 0.0045 -0.0042 824 GLY A O \n973 N N . MET A 133 ? 0.2756 0.3535 0.4168 0.0014 0.0074 -0.0044 825 MET A N \n974 C CA . MET A 133 ? 0.2415 0.3182 0.3800 0.0008 0.0054 -0.0058 825 MET A CA \n975 C C . MET A 133 ? 0.2200 0.2969 0.3609 -0.0002 0.0034 -0.0059 825 MET A C \n976 O O . MET A 133 ? 0.2570 0.3332 0.3967 -0.0006 0.0016 -0.0069 825 MET A O \n977 C CB . MET A 133 ? 0.2697 0.3444 0.4045 0.0011 0.0059 -0.0065 825 MET A CB \n978 C CG . MET A 133 ? 0.2882 0.3616 0.4196 0.0018 0.0070 -0.0066 825 MET A CG \n979 S SD . MET A 133 ? 0.2980 0.3717 0.4276 0.0016 0.0059 -0.0075 825 MET A SD \n980 C CE . MET A 133 ? 0.2782 0.3528 0.4072 0.0007 0.0047 -0.0091 825 MET A CE \n981 N N . ASN A 134 ? 0.2729 0.3501 0.4164 -0.0009 0.0036 -0.0046 826 ASN A N \n982 C CA . ASN A 134 ? 0.2637 0.3402 0.4089 -0.0022 0.0011 -0.0043 826 ASN A CA \n983 C C . ASN A 134 ? 0.2311 0.3089 0.3793 -0.0028 -0.0006 -0.0039 826 ASN A C \n984 O O . ASN A 134 ? 0.2049 0.2805 0.3518 -0.0036 -0.0033 -0.0046 826 ASN A O \n985 C CB . ASN A 134 ? 0.2552 0.3316 0.4025 -0.0035 0.0015 -0.0026 826 ASN A CB \n986 C CG . ASN A 134 ? 0.2872 0.3618 0.4355 -0.0050 -0.0016 -0.0023 826 ASN A CG \n987 O OD1 . ASN A 134 ? 0.2790 0.3502 0.4236 -0.0048 -0.0035 -0.0039 826 ASN A OD1 \n988 N ND2 . ASN A 134 ? 0.3161 0.3930 0.4697 -0.0067 -0.0022 -0.0003 826 ASN A ND2 \n989 N N . TYR A 135 ? 0.3105 0.3910 0.4622 -0.0022 0.0005 -0.0029 827 TYR A N \n990 C CA . TYR A 135 ? 0.3005 0.3817 0.4551 -0.0024 -0.0018 -0.0025 827 TYR A CA \n991 C C . TYR A 135 ? 0.3095 0.3877 0.4586 -0.0023 -0.0034 -0.0042 827 TYR A C \n992 O O . TYR A 135 ? 0.2580 0.3339 0.4059 -0.0033 -0.0064 -0.0045 827 TYR A O \n993 C CB . TYR A 135 ? 0.2700 0.3548 0.4300 -0.0012 -0.0002 -0.0013 827 TYR A CB \n994 C CG . TYR A 135 ? 0.2522 0.3374 0.4155 -0.0012 -0.0034 -0.0009 827 TYR A CG \n995 C CD1 . TYR A 135 ? 0.2716 0.3591 0.4421 -0.0025 -0.0058 0.0007 827 TYR A CD1 \n996 C CD2 . TYR A 135 ? 0.2559 0.3387 0.4152 -0.0003 -0.0044 -0.0020 827 TYR A CD2 \n997 C CE1 . TYR A 135 ? 0.2225 0.3097 0.3960 -0.0025 -0.0096 0.0010 827 TYR A CE1 \n998 C CE2 . TYR A 135 ? 0.2327 0.3144 0.3938 -0.0004 -0.0080 -0.0017 827 TYR A CE2 \n999 C CZ . TYR A 135 ? 0.2952 0.3792 0.4638 -0.0014 -0.0107 -0.0001 827 TYR A CZ \n1000 O OH . TYR A 135 ? 0.2765 0.3587 0.4465 -0.0015 -0.0149 0.0002 827 TYR A OH \n1001 N N . LEU A 136 ? 0.2850 0.3626 0.4299 -0.0013 -0.0014 -0.0054 828 LEU A N \n1002 C CA . LEU A 136 ? 0.3200 0.3949 0.4593 -0.0017 -0.0024 -0.0069 828 LEU A CA \n1003 C C . LEU A 136 ? 0.2565 0.3293 0.3928 -0.0026 -0.0035 -0.0082 828 LEU A C \n1004 O O . LEU A 136 ? 0.2420 0.3121 0.3745 -0.0035 -0.0050 -0.0091 828 LEU A O \n1005 C CB . LEU A 136 ? 0.2383 0.3133 0.3743 -0.0009 -0.0003 -0.0076 828 LEU A CB \n1006 C CG . LEU A 136 ? 0.2675 0.3429 0.4044 0.0001 0.0003 -0.0067 828 LEU A CG \n1007 C CD1 . LEU A 136 ? 0.3675 0.4418 0.5000 0.0006 0.0018 -0.0074 828 LEU A CD1 \n1008 C CD2 . LEU A 136 ? 0.3425 0.4162 0.4790 -0.0001 -0.0022 -0.0065 828 LEU A CD2 \n1009 N N . GLU A 137 ? 0.2623 0.3355 0.3995 -0.0023 -0.0028 -0.0084 829 GLU A N \n1010 C CA . GLU A 137 ? 0.2497 0.3204 0.3839 -0.0026 -0.0038 -0.0099 829 GLU A CA \n1011 C C . GLU A 137 ? 0.2903 0.3582 0.4246 -0.0038 -0.0070 -0.0093 829 GLU A C \n1012 O O . GLU A 137 ? 0.2719 0.3362 0.4016 -0.0043 -0.0083 -0.0107 829 GLU A O \n1013 C CB . GLU A 137 ? 0.2417 0.3127 0.3766 -0.0018 -0.0029 -0.0103 829 GLU A CB \n1014 C CG . GLU A 137 ? 0.3239 0.3920 0.4559 -0.0013 -0.0041 -0.0121 829 GLU A CG \n1015 C CD . GLU A 137 ? 0.3011 0.3689 0.4336 -0.0002 -0.0038 -0.0127 829 GLU A CD \n1016 O OE1 . GLU A 137 ? 0.3522 0.4214 0.4866 -0.0001 -0.0029 -0.0114 829 GLU A OE1 \n1017 O OE2 . GLU A 137 ? 0.2614 0.3266 0.3918 0.0006 -0.0049 -0.0144 829 GLU A OE2 \n1018 N N . ASP A 138 ? 0.2938 0.3631 0.4331 -0.0046 -0.0082 -0.0072 830 ASP A N \n1019 C CA . ASP A 138 ? 0.3482 0.4150 0.4885 -0.0061 -0.0120 -0.0063 830 ASP A CA \n1020 C C . ASP A 138 ? 0.3156 0.3800 0.4526 -0.0065 -0.0138 -0.0067 830 ASP A C \n1021 O O . ASP A 138 ? 0.3396 0.3992 0.4729 -0.0077 -0.0169 -0.0071 830 ASP A O \n1022 C CB . ASP A 138 ? 0.3161 0.3864 0.4643 -0.0069 -0.0127 -0.0037 830 ASP A CB \n1023 C CG . ASP A 138 ? 0.3517 0.4220 0.5013 -0.0076 -0.0123 -0.0029 830 ASP A CG \n1024 O OD1 . ASP A 138 ? 0.3534 0.4276 0.5086 -0.0080 -0.0106 -0.0011 830 ASP A OD1 \n1025 O OD2 . ASP A 138 ? 0.3670 0.4331 0.5118 -0.0077 -0.0135 -0.0042 830 ASP A OD2 \n1026 N N . ARG A 139 ? 0.2447 0.3112 0.3820 -0.0057 -0.0120 -0.0067 831 ARG A N \n1027 C CA . ARG A 139 ? 0.2861 0.3495 0.4191 -0.0063 -0.0137 -0.0072 831 ARG A CA \n1028 C C . ARG A 139 ? 0.3278 0.3880 0.4524 -0.0066 -0.0122 -0.0094 831 ARG A C \n1029 O O . ARG A 139 ? 0.3677 0.4246 0.4871 -0.0076 -0.0132 -0.0099 831 ARG A O \n1030 C CB . ARG A 139 ? 0.3281 0.3942 0.4641 -0.0053 -0.0129 -0.0063 831 ARG A CB \n1031 C CG . ARG A 139 ? 0.5493 0.6181 0.6935 -0.0049 -0.0150 -0.0043 831 ARG A CG \n1032 C CD . ARG A 139 ? 0.6223 0.6872 0.7664 -0.0066 -0.0200 -0.0036 831 ARG A CD \n1033 N NE . ARG A 139 ? 0.7011 0.7682 0.8531 -0.0064 -0.0231 -0.0017 831 ARG A NE \n1034 C CZ . ARG A 139 ? 0.6608 0.7280 0.8142 -0.0051 -0.0242 -0.0015 831 ARG A CZ \n1035 N NH1 . ARG A 139 ? 0.4717 0.5413 0.6335 -0.0046 -0.0273 0.0000 831 ARG A NH1 \n1036 N NH2 . ARG A 139 ? 0.8824 0.9473 1.0291 -0.0044 -0.0223 -0.0028 831 ARG A NH2 \n1037 N N . ARG A 140 ? 0.3438 0.4049 0.4673 -0.0059 -0.0099 -0.0108 832 ARG A N \n1038 C CA . ARG A 140 ? 0.2688 0.3284 0.3860 -0.0060 -0.0077 -0.0130 832 ARG A CA \n1039 C C . ARG A 140 ? 0.2808 0.3420 0.3960 -0.0063 -0.0057 -0.0132 832 ARG A C \n1040 O O . ARG A 140 ? 0.4504 0.5093 0.5596 -0.0075 -0.0049 -0.0143 832 ARG A O \n1041 C CB . ARG A 140 ? 0.2841 0.3375 0.3945 -0.0071 -0.0098 -0.0141 832 ARG A CB \n1042 C CG . ARG A 140 ? 0.4358 0.4866 0.5476 -0.0069 -0.0124 -0.0139 832 ARG A CG \n1043 C CD . ARG A 140 ? 0.5166 0.5598 0.6205 -0.0080 -0.0149 -0.0150 832 ARG A CD \n1044 N NE . ARG A 140 ? 0.5085 0.5499 0.6058 -0.0072 -0.0117 -0.0178 832 ARG A NE \n1045 C CZ . ARG A 140 ? 0.7086 0.7431 0.7968 -0.0081 -0.0123 -0.0193 832 ARG A CZ \n1046 N NH1 . ARG A 140 ? 0.7962 0.8305 0.8795 -0.0070 -0.0083 -0.0220 832 ARG A NH1 \n1047 N NH2 . ARG A 140 ? 0.6245 0.6521 0.7082 -0.0099 -0.0168 -0.0182 832 ARG A NH2 \n1048 N N . LEU A 141 ? 0.2907 0.3555 0.4103 -0.0055 -0.0048 -0.0120 833 LEU A N \n1049 C CA . LEU A 141 ? 0.3721 0.4378 0.4899 -0.0058 -0.0034 -0.0119 833 LEU A CA \n1050 C C . LEU A 141 ? 0.3766 0.4462 0.4969 -0.0047 -0.0007 -0.0122 833 LEU A C \n1051 O O . LEU A 141 ? 0.3213 0.3928 0.4457 -0.0034 -0.0004 -0.0112 833 LEU A O \n1052 C CB . LEU A 141 ? 0.3742 0.4393 0.4941 -0.0055 -0.0054 -0.0102 833 LEU A CB \n1053 C CG . LEU A 141 ? 0.4258 0.4891 0.5419 -0.0061 -0.0056 -0.0099 833 LEU A CG \n1054 C CD1 . LEU A 141 ? 0.5465 0.6095 0.6662 -0.0049 -0.0076 -0.0085 833 LEU A CD1 \n1055 C CD2 . LEU A 141 ? 0.6011 0.6667 0.7163 -0.0060 -0.0028 -0.0103 833 LEU A CD2 \n1056 N N . VAL A 142 ? 0.2756 0.3463 0.3933 -0.0052 0.0011 -0.0136 834 VAL A N \n1057 C CA . VAL A 142 ? 0.2583 0.3323 0.3784 -0.0044 0.0029 -0.0139 834 VAL A CA \n1058 C C . VAL A 142 ? 0.2312 0.3049 0.3502 -0.0050 0.0028 -0.0126 834 VAL A C \n1059 O O . VAL A 142 ? 0.2926 0.3642 0.4076 -0.0066 0.0022 -0.0124 834 VAL A O \n1060 C CB . VAL A 142 ? 0.2625 0.3387 0.3815 -0.0049 0.0049 -0.0157 834 VAL A CB \n1061 C CG1 . VAL A 142 ? 0.2351 0.3148 0.3580 -0.0039 0.0059 -0.0158 834 VAL A CG1 \n1062 C CG2 . VAL A 142 ? 0.2941 0.3690 0.4126 -0.0041 0.0049 -0.0172 834 VAL A CG2 \n1063 N N . HIS A 143 ? 0.2424 0.3173 0.3641 -0.0037 0.0031 -0.0119 835 HIS A N \n1064 C CA . HIS A 143 ? 0.2303 0.3038 0.3504 -0.0037 0.0029 -0.0108 835 HIS A CA \n1065 C C . HIS A 143 ? 0.2785 0.3524 0.3958 -0.0054 0.0033 -0.0111 835 HIS A C \n1066 O O . HIS A 143 ? 0.2772 0.3489 0.3905 -0.0070 0.0026 -0.0107 835 HIS A O \n1067 C CB . HIS A 143 ? 0.2254 0.2991 0.3477 -0.0020 0.0035 -0.0101 835 HIS A CB \n1068 C CG . HIS A 143 ? 0.2639 0.3350 0.3840 -0.0013 0.0033 -0.0090 835 HIS A CG \n1069 N ND1 . HIS A 143 ? 0.2639 0.3331 0.3801 -0.0022 0.0028 -0.0089 835 HIS A ND1 \n1070 C CD2 . HIS A 143 ? 0.3124 0.3823 0.4335 0.0003 0.0037 -0.0082 835 HIS A CD2 \n1071 C CE1 . HIS A 143 ? 0.2792 0.3452 0.3931 -0.0010 0.0026 -0.0081 835 HIS A CE1 \n1072 N NE2 . HIS A 143 ? 0.2829 0.3498 0.4002 0.0008 0.0035 -0.0078 835 HIS A NE2 \n1073 N N . ARG A 144 ? 0.2578 0.3346 0.3775 -0.0053 0.0043 -0.0119 836 ARG A N \n1074 C CA . ARG A 144 ? 0.2466 0.3254 0.3657 -0.0070 0.0048 -0.0121 836 ARG A CA \n1075 C C . ARG A 144 ? 0.3245 0.4013 0.4417 -0.0075 0.0037 -0.0108 836 ARG A C \n1076 O O . ARG A 144 ? 0.3320 0.4106 0.4494 -0.0093 0.0036 -0.0108 836 ARG A O \n1077 C CB . ARG A 144 ? 0.3143 0.3933 0.4301 -0.0095 0.0055 -0.0126 836 ARG A CB \n1078 C CG . ARG A 144 ? 0.3063 0.3864 0.4226 -0.0093 0.0068 -0.0141 836 ARG A CG \n1079 C CD . ARG A 144 ? 0.3889 0.4679 0.5002 -0.0120 0.0077 -0.0144 836 ARG A CD \n1080 N NE . ARG A 144 ? 0.3925 0.4712 0.5027 -0.0116 0.0089 -0.0160 836 ARG A NE \n1081 C CZ . ARG A 144 ? 0.4796 0.5540 0.5869 -0.0112 0.0073 -0.0159 836 ARG A CZ \n1082 N NH1 . ARG A 144 ? 0.4962 0.5672 0.6027 -0.0109 0.0047 -0.0144 836 ARG A NH1 \n1083 N NH2 . ARG A 144 ? 0.5225 0.5957 0.6277 -0.0110 0.0083 -0.0175 836 ARG A NH2 \n1084 N N . ASP A 145 ? 0.2918 0.3649 0.4072 -0.0060 0.0028 -0.0099 837 ASP A N \n1085 C CA . ASP A 145 ? 0.3226 0.3922 0.4347 -0.0061 0.0017 -0.0089 837 ASP A CA \n1086 C C . ASP A 145 ? 0.2545 0.3213 0.3662 -0.0036 0.0019 -0.0083 837 ASP A C \n1087 O O . ASP A 145 ? 0.2949 0.3572 0.4025 -0.0028 0.0014 -0.0076 837 ASP A O \n1088 C CB . ASP A 145 ? 0.3879 0.4540 0.4949 -0.0078 0.0005 -0.0082 837 ASP A CB \n1089 C CG . ASP A 145 ? 0.4482 0.5099 0.5507 -0.0084 -0.0011 -0.0072 837 ASP A CG \n1090 O OD1 . ASP A 145 ? 0.4477 0.5045 0.5450 -0.0087 -0.0024 -0.0066 837 ASP A OD1 \n1091 O OD2 . ASP A 145 ? 0.4400 0.5023 0.5435 -0.0087 -0.0015 -0.0070 837 ASP A OD2 \n1092 N N . LEU A 146 ? 0.2286 0.2974 0.3440 -0.0023 0.0028 -0.0087 838 LEU A N \n1093 C CA . LEU A 146 ? 0.2692 0.3353 0.3837 -0.0004 0.0034 -0.0081 838 LEU A CA \n1094 C C . LEU A 146 ? 0.3420 0.4044 0.4528 -0.0006 0.0024 -0.0076 838 LEU A C \n1095 O O . LEU A 146 ? 0.2428 0.3066 0.3549 -0.0017 0.0011 -0.0079 838 LEU A O \n1096 C CB . LEU A 146 ? 0.2292 0.2976 0.3477 0.0004 0.0043 -0.0084 838 LEU A CB \n1097 C CG . LEU A 146 ? 0.2123 0.2779 0.3295 0.0018 0.0055 -0.0075 838 LEU A CG \n1098 C CD1 . LEU A 146 ? 0.2430 0.3078 0.3599 0.0029 0.0070 -0.0069 838 LEU A CD1 \n1099 C CD2 . LEU A 146 ? 0.2684 0.3358 0.3892 0.0019 0.0058 -0.0077 838 LEU A CD2 \n1100 N N . ALA A 147 ? 0.2679 0.3253 0.3740 0.0005 0.0029 -0.0069 839 ALA A N \n1101 C CA . ALA A 147 ? 0.2880 0.3398 0.3884 0.0005 0.0017 -0.0063 839 ALA A CA \n1102 C C . ALA A 147 ? 0.2938 0.3407 0.3896 0.0026 0.0036 -0.0059 839 ALA A C \n1103 O O . ALA A 147 ? 0.3003 0.3488 0.3980 0.0039 0.0053 -0.0061 839 ALA A O \n1104 C CB . ALA A 147 ? 0.2913 0.3414 0.3888 -0.0014 -0.0006 -0.0061 839 ALA A CB \n1105 N N . ALA A 148 ? 0.2782 0.3191 0.3681 0.0031 0.0035 -0.0055 840 ALA A N \n1106 C CA . ALA A 148 ? 0.3170 0.3526 0.4015 0.0053 0.0060 -0.0053 840 ALA A CA \n1107 C C . ALA A 148 ? 0.3748 0.4080 0.4564 0.0065 0.0060 -0.0056 840 ALA A C \n1108 O O . ALA A 148 ? 0.2922 0.3251 0.3738 0.0090 0.0088 -0.0058 840 ALA A O \n1109 C CB . ALA A 148 ? 0.3648 0.3926 0.4413 0.0053 0.0054 -0.0048 840 ALA A CB \n1110 N N . ARG A 149 ? 0.2988 0.3306 0.3783 0.0048 0.0028 -0.0055 841 ARG A N \n1111 C CA . ARG A 149 ? 0.3912 0.4204 0.4679 0.0056 0.0020 -0.0057 841 ARG A CA \n1112 C C . ARG A 149 ? 0.3389 0.3737 0.4220 0.0067 0.0033 -0.0062 841 ARG A C \n1113 O O . ARG A 149 ? 0.3461 0.3780 0.4270 0.0086 0.0033 -0.0065 841 ARG A O \n1114 C CB . ARG A 149 ? 0.3254 0.3523 0.3989 0.0026 -0.0018 -0.0052 841 ARG A CB \n1115 C CG . ARG A 149 ? 0.3017 0.3362 0.3821 0.0000 -0.0028 -0.0053 841 ARG A CG \n1116 C CD . ARG A 149 ? 0.3369 0.3701 0.4149 -0.0035 -0.0061 -0.0045 841 ARG A CD \n1117 N NE . ARG A 149 ? 0.3541 0.3954 0.4393 -0.0058 -0.0058 -0.0048 841 ARG A NE \n1118 C CZ . ARG A 149 ? 0.4556 0.5014 0.5456 -0.0069 -0.0060 -0.0048 841 ARG A CZ \n1119 N NH1 . ARG A 149 ? 0.3996 0.4418 0.4875 -0.0064 -0.0071 -0.0044 841 ARG A NH1 \n1120 N NH2 . ARG A 149 ? 0.3827 0.4359 0.4793 -0.0084 -0.0051 -0.0054 841 ARG A NH2 \n1121 N N . ASN A 150 ? 0.2986 0.3407 0.3894 0.0056 0.0041 -0.0062 842 ASN A N \n1122 C CA . ASN A 150 ? 0.3323 0.3794 0.4292 0.0061 0.0046 -0.0065 842 ASN A CA \n1123 C C . ASN A 150 ? 0.2613 0.3121 0.3636 0.0081 0.0076 -0.0065 842 ASN A C \n1124 O O . ASN A 150 ? 0.2997 0.3555 0.4083 0.0079 0.0077 -0.0065 842 ASN A O \n1125 C CB . ASN A 150 ? 0.3173 0.3690 0.4177 0.0033 0.0030 -0.0067 842 ASN A CB \n1126 C CG . ASN A 150 ? 0.4294 0.4782 0.5252 0.0011 0.0004 -0.0065 842 ASN A CG \n1127 O OD1 . ASN A 150 ? 0.3412 0.3850 0.4324 0.0020 -0.0007 -0.0064 842 ASN A OD1 \n1128 N ND2 . ASN A 150 ? 0.3278 0.3796 0.4250 -0.0017 -0.0004 -0.0066 842 ASN A ND2 \n1129 N N . VAL A 151 ? 0.2519 0.2996 0.3511 0.0097 0.0099 -0.0063 843 VAL A N \n1130 C CA . VAL A 151 ? 0.3401 0.3906 0.4435 0.0116 0.0135 -0.0060 843 VAL A CA \n1131 C C . VAL A 151 ? 0.3500 0.3961 0.4494 0.0148 0.0154 -0.0064 843 VAL A C \n1132 O O . VAL A 151 ? 0.3605 0.3996 0.4514 0.0154 0.0152 -0.0066 843 VAL A O \n1133 C CB . VAL A 151 ? 0.3035 0.3535 0.4057 0.0107 0.0152 -0.0055 843 VAL A CB \n1134 C CG1 . VAL A 151 ? 0.2925 0.3456 0.3991 0.0120 0.0192 -0.0050 843 VAL A CG1 \n1135 C CG2 . VAL A 151 ? 0.2531 0.3066 0.3588 0.0080 0.0128 -0.0055 843 VAL A CG2 \n1136 N N . LEU A 152 ? 0.3408 0.3908 0.4464 0.0170 0.0170 -0.0065 844 LEU A N \n1137 C CA . LEU A 152 ? 0.3145 0.3611 0.4176 0.0208 0.0189 -0.0072 844 LEU A CA \n1138 C C . LEU A 152 ? 0.3522 0.4021 0.4594 0.0230 0.0242 -0.0070 844 LEU A C \n1139 O O . LEU A 152 ? 0.3217 0.3784 0.4370 0.0217 0.0255 -0.0062 844 LEU A O \n1140 C CB . LEU A 152 ? 0.3413 0.3893 0.4485 0.0221 0.0160 -0.0077 844 LEU A CB \n1141 C CG . LEU A 152 ? 0.3468 0.3911 0.4492 0.0196 0.0110 -0.0077 844 LEU A CG \n1142 C CD1 . LEU A 152 ? 0.3691 0.4127 0.4733 0.0208 0.0079 -0.0081 844 LEU A CD1 \n1143 C CD2 . LEU A 152 ? 0.4076 0.4436 0.4991 0.0191 0.0101 -0.0079 844 LEU A CD2 \n1144 N N . VAL A 153 ? 0.3750 0.4196 0.4762 0.0261 0.0272 -0.0078 845 VAL A N \n1145 C CA . VAL A 153 ? 0.4231 0.4704 0.5273 0.0284 0.0332 -0.0078 845 VAL A CA \n1146 C C . VAL A 153 ? 0.4480 0.5015 0.5621 0.0320 0.0348 -0.0083 845 VAL A C \n1147 O O . VAL A 153 ? 0.4598 0.5093 0.5712 0.0355 0.0340 -0.0095 845 VAL A O \n1148 C CB . VAL A 153 ? 0.4368 0.4746 0.5284 0.0301 0.0362 -0.0085 845 VAL A CB \n1149 C CG1 . VAL A 153 ? 0.3912 0.4315 0.4848 0.0323 0.0433 -0.0085 845 VAL A CG1 \n1150 C CG2 . VAL A 153 ? 0.3953 0.4271 0.4781 0.0264 0.0337 -0.0077 845 VAL A CG2 \n1151 N N . LYS A 154 ? 0.3941 0.4571 0.5201 0.0311 0.0365 -0.0073 846 LYS A N \n1152 C CA . LYS A 154 ? 0.4828 0.5529 0.6200 0.0345 0.0386 -0.0075 846 LYS A CA \n1153 C C . LYS A 154 ? 0.4150 0.4851 0.5509 0.0375 0.0460 -0.0080 846 LYS A C \n1154 O O . LYS A 154 ? 0.4911 0.5598 0.6270 0.0422 0.0480 -0.0095 846 LYS A O \n1155 C CB . LYS A 154 ? 0.3972 0.4772 0.5476 0.0320 0.0372 -0.0060 846 LYS A CB \n1156 C CG . LYS A 154 ? 0.5679 0.6557 0.7315 0.0353 0.0380 -0.0061 846 LYS A CG \n1157 C CD . LYS A 154 ? 0.6311 0.7286 0.8073 0.0323 0.0381 -0.0042 846 LYS A CD \n1158 C CE . LYS A 154 ? 0.8648 0.9683 1.0532 0.0337 0.0340 -0.0040 846 LYS A CE \n1159 N NZ . LYS A 154 ? 0.6703 0.7794 0.8681 0.0386 0.0380 -0.0046 846 LYS A NZ \n1160 N N . THR A 155 ? 0.3995 0.4706 0.5335 0.0348 0.0499 -0.0068 847 THR A N \n1161 C CA . THR A 155 ? 0.4406 0.5088 0.5687 0.0366 0.0571 -0.0072 847 THR A CA \n1162 C C . THR A 155 ? 0.5646 0.6256 0.6811 0.0326 0.0570 -0.0064 847 THR A C \n1163 O O . THR A 155 ? 0.5342 0.5963 0.6518 0.0287 0.0525 -0.0053 847 THR A O \n1164 C CB . THR A 155 ? 0.4591 0.5379 0.5997 0.0372 0.0634 -0.0063 847 THR A CB \n1165 O OG1 . THR A 155 ? 0.4338 0.5175 0.5788 0.0320 0.0631 -0.0041 847 THR A OG1 \n1166 C CG2 . THR A 155 ? 0.5178 0.6057 0.6732 0.0406 0.0622 -0.0068 847 THR A CG2 \n1167 N N . PRO A 156 ? 0.5518 0.6051 0.6568 0.0338 0.0617 -0.0069 848 PRO A N \n1168 C CA . PRO A 156 ? 0.5172 0.5631 0.6111 0.0299 0.0613 -0.0059 848 PRO A CA \n1169 C C . PRO A 156 ? 0.5173 0.5702 0.6187 0.0253 0.0609 -0.0039 848 PRO A C \n1170 O O . PRO A 156 ? 0.5339 0.5819 0.6290 0.0218 0.0575 -0.0031 848 PRO A O \n1171 C CB . PRO A 156 ? 0.5562 0.5957 0.6402 0.0320 0.0684 -0.0066 848 PRO A CB \n1172 C CG . PRO A 156 ? 0.6456 0.6839 0.7296 0.0377 0.0702 -0.0087 848 PRO A CG \n1173 C CD . PRO A 156 ? 0.6294 0.6780 0.7288 0.0389 0.0666 -0.0088 848 PRO A CD \n1174 N N . GLN A 157 ? 0.4885 0.5522 0.6033 0.0253 0.0640 -0.0030 849 GLN A N \n1175 C CA . GLN A 157 ? 0.4706 0.5402 0.5921 0.0207 0.0632 -0.0009 849 GLN A CA \n1176 C C . GLN A 157 ? 0.4699 0.5470 0.6032 0.0194 0.0572 -0.0004 849 GLN A C \n1177 O O . GLN A 157 ? 0.5003 0.5829 0.6406 0.0160 0.0563 0.0012 849 GLN A O \n1178 C CB . GLN A 157 ? 0.6706 0.7463 0.7977 0.0200 0.0707 0.0004 849 GLN A CB \n1179 C CG . GLN A 157 ? 0.7676 0.8513 0.9050 0.0242 0.0758 -0.0003 849 GLN A CG \n1180 C CD . GLN A 157 ? 0.7219 0.7984 0.8491 0.0288 0.0809 -0.0023 849 GLN A CD \n1181 O OE1 . GLN A 157 ? 0.7378 0.8149 0.8677 0.0335 0.0804 -0.0042 849 GLN A OE1 \n1182 N NE2 . GLN A 157 ? 0.7377 0.8063 0.8521 0.0274 0.0855 -0.0020 849 GLN A NE2 \n1183 N N . HIS A 158 ? 0.4787 0.5549 0.6128 0.0218 0.0529 -0.0018 850 HIS A N \n1184 C CA . HIS A 158 ? 0.3820 0.4638 0.5254 0.0208 0.0472 -0.0015 850 HIS A CA \n1185 C C . HIS A 158 ? 0.3816 0.4571 0.5181 0.0215 0.0417 -0.0029 850 HIS A C \n1186 O O . HIS A 158 ? 0.4160 0.4887 0.5502 0.0249 0.0414 -0.0043 850 HIS A O \n1187 C CB . HIS A 158 ? 0.5193 0.6100 0.6759 0.0233 0.0486 -0.0014 850 HIS A CB \n1188 C CG . HIS A 158 ? 0.6223 0.7185 0.7886 0.0217 0.0430 -0.0008 850 HIS A CG \n1189 N ND1 . HIS A 158 ? 0.7603 0.8659 0.9405 0.0217 0.0435 0.0003 850 HIS A ND1 \n1190 C CD2 . HIS A 158 ? 0.5044 0.5978 0.6681 0.0200 0.0368 -0.0011 850 HIS A CD2 \n1191 C CE1 . HIS A 158 ? 0.6793 0.7865 0.8640 0.0201 0.0374 0.0006 850 HIS A CE1 \n1192 N NE2 . HIS A 158 ? 0.5429 0.6428 0.7175 0.0191 0.0336 -0.0003 850 HIS A NE2 \n1193 N N . VAL A 159 ? 0.3189 0.3921 0.4522 0.0183 0.0373 -0.0026 851 VAL A N \n1194 C CA . VAL A 159 ? 0.2849 0.3532 0.4125 0.0183 0.0323 -0.0037 851 VAL A CA \n1195 C C . VAL A 159 ? 0.3025 0.3753 0.4369 0.0164 0.0276 -0.0034 851 VAL A C \n1196 O O . VAL A 159 ? 0.3993 0.4774 0.5408 0.0145 0.0274 -0.0024 851 VAL A O \n1197 C CB . VAL A 159 ? 0.2840 0.3445 0.4004 0.0166 0.0311 -0.0038 851 VAL A CB \n1198 C CG1 . VAL A 159 ? 0.3096 0.3638 0.4174 0.0184 0.0353 -0.0041 851 VAL A CG1 \n1199 C CG2 . VAL A 159 ? 0.3150 0.3771 0.4328 0.0132 0.0301 -0.0028 851 VAL A CG2 \n1200 N N . LYS A 160 ? 0.2576 0.3277 0.3893 0.0169 0.0238 -0.0043 852 LYS A N \n1201 C CA . LYS A 160 ? 0.3099 0.3830 0.4465 0.0153 0.0195 -0.0043 852 LYS A CA \n1202 C C . LYS A 160 ? 0.3318 0.4003 0.4614 0.0136 0.0160 -0.0050 852 LYS A C \n1203 O O . LYS A 160 ? 0.3538 0.4169 0.4761 0.0146 0.0157 -0.0056 852 LYS A O \n1204 C CB . LYS A 160 ? 0.3028 0.3780 0.4449 0.0178 0.0184 -0.0046 852 LYS A CB \n1205 C CG . LYS A 160 ? 0.3747 0.4558 0.5258 0.0199 0.0219 -0.0039 852 LYS A CG \n1206 C CD . LYS A 160 ? 0.4201 0.5032 0.5773 0.0226 0.0199 -0.0044 852 LYS A CD \n1207 C CE . LYS A 160 ? 0.4913 0.5779 0.6553 0.0205 0.0152 -0.0036 852 LYS A CE \n1208 N NZ . LYS A 160 ? 0.5999 0.6891 0.7716 0.0232 0.0131 -0.0037 852 LYS A NZ \n1209 N N . ILE A 161 ? 0.2815 0.3522 0.4134 0.0112 0.0132 -0.0049 853 ILE A N \n1210 C CA . ILE A 161 ? 0.3166 0.3845 0.4432 0.0093 0.0104 -0.0056 853 ILE A CA \n1211 C C . ILE A 161 ? 0.3359 0.4024 0.4618 0.0093 0.0075 -0.0060 853 ILE A C \n1212 O O . ILE A 161 ? 0.3347 0.4037 0.4659 0.0100 0.0064 -0.0057 853 ILE A O \n1213 C CB . ILE A 161 ? 0.2598 0.3303 0.3886 0.0068 0.0093 -0.0056 853 ILE A CB \n1214 C CG1 . ILE A 161 ? 0.2723 0.3431 0.4012 0.0066 0.0115 -0.0051 853 ILE A CG1 \n1215 C CG2 . ILE A 161 ? 0.3457 0.4144 0.4703 0.0050 0.0071 -0.0064 853 ILE A CG2 \n1216 C CD1 . ILE A 161 ? 0.3945 0.4682 0.5275 0.0049 0.0106 -0.0049 853 ILE A CD1 \n1217 N N . THR A 162 ? 0.2592 0.3215 0.3785 0.0085 0.0059 -0.0064 854 THR A N \n1218 C CA . THR A 162 ? 0.2861 0.3459 0.4029 0.0078 0.0029 -0.0067 854 THR A CA \n1219 C C . THR A 162 ? 0.2984 0.3569 0.4106 0.0046 0.0013 -0.0069 854 THR A C \n1220 O O . THR A 162 ? 0.3447 0.4046 0.4566 0.0035 0.0024 -0.0070 854 THR A O \n1221 C CB . THR A 162 ? 0.2564 0.3112 0.3691 0.0103 0.0025 -0.0068 854 THR A CB \n1222 O OG1 . THR A 162 ? 0.2685 0.3207 0.3796 0.0098 -0.0009 -0.0069 854 THR A OG1 \n1223 C CG2 . THR A 162 ? 0.3036 0.3532 0.4084 0.0099 0.0027 -0.0070 854 THR A CG2 \n1224 N N . ASP A 163 ? 0.2771 0.3330 0.3861 0.0031 -0.0013 -0.0070 855 ASP A N \n1225 C CA . ASP A 163 ? 0.3725 0.4269 0.4764 -0.0001 -0.0025 -0.0071 855 ASP A CA \n1226 C C . ASP A 163 ? 0.2956 0.3544 0.4023 -0.0023 -0.0017 -0.0076 855 ASP A C \n1227 O O . ASP A 163 ? 0.4732 0.5325 0.5774 -0.0047 -0.0016 -0.0078 855 ASP A O \n1228 C CB . ASP A 163 ? 0.3851 0.4371 0.4849 -0.0004 -0.0020 -0.0069 855 ASP A CB \n1229 C CG . ASP A 163 ? 0.5026 0.5505 0.5959 -0.0032 -0.0042 -0.0066 855 ASP A CG \n1230 O OD1 . ASP A 163 ? 0.4714 0.5158 0.5615 -0.0038 -0.0064 -0.0064 855 ASP A OD1 \n1231 O OD2 . ASP A 163 ? 0.4940 0.5419 0.5854 -0.0050 -0.0042 -0.0063 855 ASP A OD2 \n1232 N N . PHE A 164 ? 0.3455 0.4071 0.4571 -0.0013 -0.0013 -0.0077 856 PHE A N \n1233 C CA . PHE A 164 ? 0.2923 0.3570 0.4059 -0.0028 -0.0007 -0.0084 856 PHE A CA \n1234 C C . PHE A 164 ? 0.4270 0.4895 0.5366 -0.0052 -0.0024 -0.0087 856 PHE A C \n1235 O O . PHE A 164 ? 0.3875 0.4466 0.4953 -0.0052 -0.0047 -0.0082 856 PHE A O \n1236 C CB . PHE A 164 ? 0.3394 0.4067 0.4588 -0.0013 -0.0003 -0.0082 856 PHE A CB \n1237 C CG . PHE A 164 ? 0.4110 0.4775 0.5332 0.0000 -0.0018 -0.0074 856 PHE A CG \n1238 C CD1 . PHE A 164 ? 0.4347 0.5018 0.5598 0.0025 -0.0007 -0.0068 856 PHE A CD1 \n1239 C CD2 . PHE A 164 ? 0.3824 0.4474 0.5044 -0.0009 -0.0044 -0.0074 856 PHE A CD2 \n1240 C CE1 . PHE A 164 ? 0.3572 0.4246 0.4864 0.0041 -0.0019 -0.0062 856 PHE A CE1 \n1241 C CE2 . PHE A 164 ? 0.4610 0.5256 0.5868 0.0004 -0.0064 -0.0066 856 PHE A CE2 \n1242 C CZ . PHE A 164 ? 0.3281 0.3944 0.4581 0.0031 -0.0051 -0.0061 856 PHE A CZ \n1243 N N . GLY A 165 ? 0.3466 0.4107 0.4547 -0.0073 -0.0012 -0.0095 857 GLY A N \n1244 C CA . GLY A 165 ? 0.3407 0.4025 0.4441 -0.0098 -0.0020 -0.0099 857 GLY A CA \n1245 C C . GLY A 165 ? 0.3942 0.4527 0.4913 -0.0124 -0.0028 -0.0095 857 GLY A C \n1246 O O . GLY A 165 ? 0.4113 0.4668 0.5031 -0.0149 -0.0034 -0.0096 857 GLY A O \n1247 N N . LEU A 166 ? 0.4096 0.4675 0.5061 -0.0121 -0.0030 -0.0088 858 LEU A N \n1248 C CA . LEU A 166 ? 0.3812 0.4352 0.4713 -0.0148 -0.0043 -0.0081 858 LEU A CA \n1249 C C . LEU A 166 ? 0.4139 0.4714 0.5031 -0.0180 -0.0019 -0.0085 858 LEU A C \n1250 O O . LEU A 166 ? 0.4059 0.4608 0.4894 -0.0215 -0.0022 -0.0081 858 LEU A O \n1251 C CB . LEU A 166 ? 0.4737 0.5250 0.5629 -0.0133 -0.0056 -0.0072 858 LEU A CB \n1252 C CG . LEU A 166 ? 0.5130 0.5574 0.5949 -0.0149 -0.0085 -0.0063 858 LEU A CG \n1253 C CD1 . LEU A 166 ? 0.5555 0.5952 0.6346 -0.0145 -0.0113 -0.0061 858 LEU A CD1 \n1254 C CD2 . LEU A 166 ? 0.4102 0.4521 0.4917 -0.0124 -0.0094 -0.0058 858 LEU A CD2 \n1255 N N . ALA A 167 ? 0.3981 0.4613 0.4931 -0.0169 0.0003 -0.0091 859 ALA A N \n1256 C CA . ALA A 167 ? 0.4244 0.4923 0.5207 -0.0193 0.0027 -0.0097 859 ALA A CA \n1257 C C . ALA A 167 ? 0.4541 0.5224 0.5478 -0.0211 0.0045 -0.0107 859 ALA A C \n1258 O O . ALA A 167 ? 0.4212 0.4910 0.5125 -0.0244 0.0063 -0.0108 859 ALA A O \n1259 C CB . ALA A 167 ? 0.3835 0.4571 0.4870 -0.0172 0.0042 -0.0104 859 ALA A CB \n1260 N N . LYS A 168 ? 0.3944 0.4610 0.4883 -0.0191 0.0040 -0.0115 860 LYS A N \n1261 C CA . LYS A 168 ? 0.4631 0.5280 0.5527 -0.0207 0.0051 -0.0125 860 LYS A CA \n1262 C C . LYS A 168 ? 0.4276 0.4859 0.5084 -0.0240 0.0032 -0.0114 860 LYS A C \n1263 O O . LYS A 168 ? 0.5035 0.5608 0.5790 -0.0272 0.0051 -0.0118 860 LYS A O \n1264 C CB . LYS A 168 ? 0.5459 0.6094 0.6373 -0.0180 0.0041 -0.0132 860 LYS A CB \n1265 C CG . LYS A 168 ? 0.6211 0.6798 0.7055 -0.0198 0.0039 -0.0140 860 LYS A CG \n1266 C CD . LYS A 168 ? 0.6370 0.6961 0.7238 -0.0176 0.0042 -0.0153 860 LYS A CD \n1267 C CE . LYS A 168 ? 0.7906 0.8452 0.8695 -0.0195 0.0052 -0.0165 860 LYS A CE \n1268 N NZ . LYS A 168 ? 0.8792 0.9347 0.9600 -0.0173 0.0064 -0.0183 860 LYS A NZ \n1269 N N . LEU A 169 ? 0.4018 0.4553 0.4810 -0.0231 -0.0004 -0.0102 861 LEU A N \n1270 C CA . LEU A 169 ? 0.4997 0.5455 0.5702 -0.0258 -0.0033 -0.0092 861 LEU A CA \n1271 C C . LEU A 169 ? 0.5116 0.5569 0.5769 -0.0301 -0.0020 -0.0084 861 LEU A C \n1272 O O . LEU A 169 ? 0.5070 0.5471 0.5639 -0.0338 -0.0026 -0.0080 861 LEU A O \n1273 C CB . LEU A 169 ? 0.5362 0.5777 0.6073 -0.0234 -0.0075 -0.0081 861 LEU A CB \n1274 C CG . LEU A 169 ? 0.7381 0.7708 0.8009 -0.0253 -0.0117 -0.0070 861 LEU A CG \n1275 C CD1 . LEU A 169 ? 0.9177 0.9452 0.9743 -0.0274 -0.0130 -0.0073 861 LEU A CD1 \n1276 C CD2 . LEU A 169 ? 0.5587 0.5890 0.6249 -0.0215 -0.0151 -0.0064 861 LEU A CD2 \n1277 N N . LEU A 170 ? 0.5120 0.5625 0.5823 -0.0299 -0.0005 -0.0081 862 LEU A N \n1278 C CA . LEU A 170 ? 0.5600 0.6107 0.6268 -0.0341 0.0000 -0.0070 862 LEU A CA \n1279 C C . LEU A 170 ? 0.5690 0.6265 0.6378 -0.0368 0.0048 -0.0079 862 LEU A C \n1280 O O . LEU A 170 ? 0.5828 0.6420 0.6501 -0.0408 0.0059 -0.0069 862 LEU A O \n1281 C CB . LEU A 170 ? 0.5311 0.5827 0.6014 -0.0327 -0.0016 -0.0060 862 LEU A CB \n1282 C CG . LEU A 170 ? 0.5454 0.5893 0.6117 -0.0309 -0.0062 -0.0050 862 LEU A CG \n1283 C CD1 . LEU A 170 ? 0.5737 0.6185 0.6432 -0.0291 -0.0070 -0.0044 862 LEU A CD1 \n1284 C CD2 . LEU A 170 ? 0.5706 0.6061 0.6267 -0.0348 -0.0091 -0.0037 862 LEU A CD2 \n1285 N N . GLY A 171 ? 0.5806 0.6421 0.6532 -0.0347 0.0077 -0.0097 863 GLY A N \n1286 C CA . GLY A 171 ? 0.5244 0.5922 0.5990 -0.0365 0.0127 -0.0110 863 GLY A CA \n1287 C C . GLY A 171 ? 0.4499 0.5273 0.5347 -0.0354 0.0152 -0.0115 863 GLY A C \n1288 O O . GLY A 171 ? 0.5782 0.6617 0.6654 -0.0377 0.0192 -0.0121 863 GLY A O \n1289 N N . ALA A 172 ? 0.4607 0.5396 0.5517 -0.0318 0.0129 -0.0113 864 ALA A N \n1290 C CA . ALA A 172 ? 0.4768 0.5635 0.5771 -0.0306 0.0140 -0.0116 864 ALA A CA \n1291 C C . ALA A 172 ? 0.4245 0.5179 0.5314 -0.0280 0.0177 -0.0139 864 ALA A C \n1292 O O . ALA A 172 ? 0.4703 0.5705 0.5856 -0.0268 0.0185 -0.0144 864 ALA A O \n1293 C CB . ALA A 172 ? 0.4623 0.5470 0.5654 -0.0278 0.0105 -0.0106 864 ALA A CB \n1294 N N . GLU A 173 ? 0.4016 0.4925 0.5046 -0.0270 0.0192 -0.0154 865 GLU A N \n1295 C CA . GLU A 173 ? 0.4931 0.5890 0.6008 -0.0245 0.0228 -0.0180 865 GLU A CA \n1296 C C . GLU A 173 ? 0.5388 0.6389 0.6452 -0.0276 0.0278 -0.0190 865 GLU A C \n1297 O O . GLU A 173 ? 0.4377 0.5427 0.5481 -0.0255 0.0314 -0.0213 865 GLU A O \n1298 C CB . GLU A 173 ? 0.4546 0.5449 0.5583 -0.0217 0.0217 -0.0192 865 GLU A CB \n1299 C CG . GLU A 173 ? 0.6108 0.6977 0.7164 -0.0188 0.0175 -0.0182 865 GLU A CG \n1300 C CD . GLU A 173 ? 0.7760 0.8593 0.8803 -0.0160 0.0166 -0.0194 865 GLU A CD \n1301 O OE1 . GLU A 173 ? 0.6465 0.7296 0.7549 -0.0133 0.0143 -0.0191 865 GLU A OE1 \n1302 O OE2 . GLU A 173 ? 0.7467 0.8270 0.8454 -0.0168 0.0182 -0.0207 865 GLU A OE2 \n1303 N N . GLU A 174 ? 0.5312 0.6292 0.6318 -0.0324 0.0280 -0.0172 866 GLU A N \n1304 C CA . GLU A 174 ? 0.5210 0.6227 0.6192 -0.0363 0.0330 -0.0177 866 GLU A CA \n1305 C C . GLU A 174 ? 0.4482 0.5565 0.5523 -0.0398 0.0334 -0.0159 866 GLU A C \n1306 O O . GLU A 174 ? 0.4220 0.5289 0.5283 -0.0398 0.0290 -0.0140 866 GLU A O \n1307 C CB . GLU A 174 ? 0.5265 0.6187 0.6110 -0.0401 0.0329 -0.0170 866 GLU A CB \n1308 C CG . GLU A 174 ? 0.6357 0.7215 0.7136 -0.0376 0.0332 -0.0190 866 GLU A CG \n1309 C CD . GLU A 174 ? 0.8191 0.8985 0.8963 -0.0341 0.0276 -0.0184 866 GLU A CD \n1310 O OE1 . GLU A 174 ? 0.9575 1.0343 1.0336 -0.0310 0.0274 -0.0201 866 GLU A OE1 \n1311 O OE2 . GLU A 174 ? 0.8109 0.8879 0.8886 -0.0345 0.0233 -0.0163 866 GLU A OE2 \n1312 N N . LYS A 175 ? 0.3976 0.5130 0.5043 -0.0428 0.0387 -0.0165 867 LYS A N \n1313 C CA . LYS A 175 ? 0.5223 0.6461 0.6372 -0.0460 0.0394 -0.0148 867 LYS A CA \n1314 C C . LYS A 175 ? 0.4677 0.5855 0.5746 -0.0519 0.0363 -0.0116 867 LYS A C \n1315 O O . LYS A 175 ? 0.4393 0.5603 0.5516 -0.0540 0.0336 -0.0095 867 LYS A O \n1316 C CB . LYS A 175 ? 0.3908 0.5254 0.5125 -0.0473 0.0467 -0.0165 867 LYS A CB \n1317 C CG . LYS A 175 ? 0.4489 0.5804 0.5599 -0.0517 0.0519 -0.0169 867 LYS A CG \n1318 C CD . LYS A 175 ? 0.4183 0.5576 0.5339 -0.0494 0.0595 -0.0202 867 LYS A CD \n1319 C CE . LYS A 175 ? 0.4244 0.5564 0.5256 -0.0523 0.0640 -0.0212 867 LYS A CE \n1320 N NZ . LYS A 175 ? 0.4857 0.6032 0.5734 -0.0511 0.0591 -0.0210 867 LYS A NZ \n1321 N N . GLU A 176 ? 0.4400 0.5481 0.5337 -0.0545 0.0360 -0.0111 868 GLU A N \n1322 C CA . GLU A 176 ? 0.5289 0.6301 0.6131 -0.0605 0.0334 -0.0082 868 GLU A CA \n1323 C C . GLU A 176 ? 0.5488 0.6451 0.6333 -0.0598 0.0264 -0.0060 868 GLU A C \n1324 O O . GLU A 176 ? 0.4754 0.5723 0.5600 -0.0642 0.0246 -0.0036 868 GLU A O \n1325 C CB . GLU A 176 ? 0.6021 0.6923 0.6715 -0.0625 0.0335 -0.0084 868 GLU A CB \n1326 C CG . GLU A 176 ? 0.6207 0.7137 0.6858 -0.0658 0.0405 -0.0096 868 GLU A CG \n1327 C CD . GLU A 176 ? 0.6491 0.7473 0.7193 -0.0607 0.0453 -0.0132 868 GLU A CD \n1328 O OE1 . GLU A 176 ? 0.4811 0.5775 0.5545 -0.0549 0.0423 -0.0146 868 GLU A OE1 \n1329 O OE2 . GLU A 176 ? 0.5551 0.6590 0.6257 -0.0626 0.0522 -0.0146 868 GLU A OE2 \n1330 N N . TYR A 177 ? 0.5147 0.6061 0.5991 -0.0544 0.0228 -0.0069 869 TYR A N \n1331 C CA . TYR A 177 ? 0.5059 0.5931 0.5913 -0.0525 0.0169 -0.0054 869 TYR A CA \n1332 C C . TYR A 177 ? 0.5519 0.6465 0.6467 -0.0535 0.0162 -0.0042 869 TYR A C \n1333 O O . TYR A 177 ? 0.5002 0.5905 0.5919 -0.0560 0.0122 -0.0020 869 TYR A O \n1334 C CB . TYR A 177 ? 0.5505 0.6351 0.6380 -0.0460 0.0150 -0.0069 869 TYR A CB \n1335 C CG . TYR A 177 ? 0.4925 0.5731 0.5810 -0.0435 0.0100 -0.0058 869 TYR A CG \n1336 C CD1 . TYR A 177 ? 0.4194 0.5054 0.5170 -0.0402 0.0096 -0.0062 869 TYR A CD1 \n1337 C CD2 . TYR A 177 ? 0.5127 0.5835 0.5924 -0.0444 0.0057 -0.0042 869 TYR A CD2 \n1338 C CE1 . TYR A 177 ? 0.4150 0.4964 0.5121 -0.0380 0.0054 -0.0052 869 TYR A CE1 \n1339 C CE2 . TYR A 177 ? 0.4952 0.5620 0.5751 -0.0418 0.0017 -0.0034 869 TYR A CE2 \n1340 C CZ . TYR A 177 ? 0.4832 0.5552 0.5715 -0.0387 0.0018 -0.0039 869 TYR A CZ \n1341 O OH . TYR A 177 ? 0.4906 0.5578 0.5779 -0.0363 -0.0016 -0.0031 869 TYR A OH \n1342 N N . HIS A 178 ? 0.4673 0.5724 0.5732 -0.0515 0.0198 -0.0058 870 HIS A N \n1343 C CA . HIS A 178 ? 0.4297 0.5423 0.5461 -0.0519 0.0186 -0.0049 870 HIS A CA \n1344 C C . HIS A 178 ? 0.5297 0.6474 0.6476 -0.0586 0.0202 -0.0029 870 HIS A C \n1345 O O . HIS A 178 ? 0.4814 0.6004 0.6030 -0.0610 0.0168 -0.0008 870 HIS A O \n1346 C CB . HIS A 178 ? 0.4690 0.5906 0.5970 -0.0470 0.0213 -0.0074 870 HIS A CB \n1347 C CG . HIS A 178 ? 0.4917 0.6084 0.6187 -0.0410 0.0192 -0.0089 870 HIS A CG \n1348 N ND1 . HIS A 178 ? 0.5360 0.6488 0.6577 -0.0384 0.0211 -0.0107 870 HIS A ND1 \n1349 C CD2 . HIS A 178 ? 0.4446 0.5593 0.5748 -0.0374 0.0152 -0.0087 870 HIS A CD2 \n1350 C CE1 . HIS A 178 ? 0.4307 0.5401 0.5533 -0.0337 0.0184 -0.0114 870 HIS A CE1 \n1351 N NE2 . HIS A 178 ? 0.6096 0.7200 0.7370 -0.0330 0.0151 -0.0103 870 HIS A NE2 \n1352 N N . ALA A 179 ? 0.5363 0.6565 0.6510 -0.0618 0.0254 -0.0035 871 ALA A N \n1353 C CA . ALA A 179 ? 0.5903 0.7151 0.7053 -0.0690 0.0277 -0.0014 871 ALA A CA \n1354 C C . ALA A 179 ? 0.6575 0.7714 0.7610 -0.0740 0.0225 0.0016 871 ALA A C \n1355 O O . ALA A 179 ? 0.5472 0.6637 0.6523 -0.0797 0.0215 0.0042 871 ALA A O \n1356 C CB . ALA A 179 ? 0.5564 0.6851 0.6688 -0.0712 0.0351 -0.0030 871 ALA A CB \n1357 N N . GLU A 180 ? 0.5940 0.6957 0.6862 -0.0718 0.0189 0.0015 872 GLU A N \n1358 C CA . GLU A 180 ? 0.6530 0.7428 0.7330 -0.0756 0.0136 0.0041 872 GLU A CA \n1359 C C . GLU A 180 ? 0.6943 0.7789 0.7750 -0.0733 0.0070 0.0054 872 GLU A C \n1360 O O . GLU A 180 ? 0.7354 0.8086 0.8057 -0.0743 0.0021 0.0068 872 GLU A O \n1361 C CB . GLU A 180 ? 0.8126 0.8916 0.8800 -0.0745 0.0130 0.0032 872 GLU A CB \n1362 C CG . GLU A 180 ? 0.9310 1.0104 0.9920 -0.0792 0.0181 0.0030 872 GLU A CG \n1363 C CD . GLU A 180 ? 1.1978 1.2687 1.2495 -0.0764 0.0181 0.0013 872 GLU A CD \n1364 O OE1 . GLU A 180 ? 1.2640 1.3250 1.3096 -0.0736 0.0125 0.0016 872 GLU A OE1 \n1365 O OE2 . GLU A 180 ? 1.1870 1.2609 1.2374 -0.0770 0.0236 -0.0003 872 GLU A OE2 \n1366 N N . GLY A 181 ? 0.6818 0.7741 0.7741 -0.0701 0.0068 0.0047 873 GLY A N \n1367 C CA . GLY A 181 ? 0.6288 0.7164 0.7216 -0.0683 0.0009 0.0060 873 GLY A CA \n1368 C C . GLY A 181 ? 0.5118 0.5940 0.6035 -0.0611 -0.0012 0.0042 873 GLY A C \n1369 O O . GLY A 181 ? 0.5353 0.6130 0.6267 -0.0591 -0.0055 0.0050 873 GLY A O \n1370 N N . GLY A 182 ? 0.4618 0.5441 0.5526 -0.0574 0.0018 0.0020 874 GLY A N \n1371 C CA . GLY A 182 ? 0.5354 0.6132 0.6255 -0.0509 0.0002 0.0005 874 GLY A CA \n1372 C C . GLY A 182 ? 0.5326 0.6163 0.6326 -0.0470 0.0001 -0.0003 874 GLY A C \n1373 O O . GLY A 182 ? 0.4218 0.5153 0.5312 -0.0477 0.0028 -0.0009 874 GLY A O \n1374 N N . LYS A 183 ? 0.4603 0.5380 0.5582 -0.0429 -0.0030 -0.0005 875 LYS A N \n1375 C CA . LYS A 183 ? 0.5038 0.5852 0.6093 -0.0393 -0.0037 -0.0012 875 LYS A CA \n1376 C C . LYS A 183 ? 0.5168 0.5968 0.6228 -0.0338 -0.0025 -0.0031 875 LYS A C \n1377 O O . LYS A 183 ? 0.4771 0.5517 0.5770 -0.0324 -0.0023 -0.0035 875 LYS A O \n1378 C CB . LYS A 183 ? 0.6708 0.7458 0.7730 -0.0398 -0.0086 0.0005 875 LYS A CB \n1379 C CG . LYS A 183 ? 0.7606 0.8365 0.8626 -0.0457 -0.0107 0.0028 875 LYS A CG \n1380 C CD . LYS A 183 ? 0.7992 0.8849 0.9128 -0.0468 -0.0105 0.0030 875 LYS A CD \n1381 C CE . LYS A 183 ? 0.8655 0.9518 0.9792 -0.0530 -0.0133 0.0056 875 LYS A CE \n1382 N NZ . LYS A 183 ? 0.8241 0.9172 0.9483 -0.0537 -0.0153 0.0063 875 LYS A NZ \n1383 N N . VAL A 184 ? 0.4556 0.5405 0.5692 -0.0308 -0.0019 -0.0041 876 VAL A N \n1384 C CA . VAL A 184 ? 0.4440 0.5281 0.5589 -0.0259 -0.0009 -0.0057 876 VAL A CA \n1385 C C . VAL A 184 ? 0.3896 0.4716 0.5065 -0.0234 -0.0035 -0.0053 876 VAL A C \n1386 O O . VAL A 184 ? 0.4569 0.5402 0.5764 -0.0253 -0.0058 -0.0043 876 VAL A O \n1387 C CB . VAL A 184 ? 0.3765 0.4680 0.4978 -0.0245 0.0028 -0.0077 876 VAL A CB \n1388 C CG1 . VAL A 184 ? 0.4138 0.5039 0.5300 -0.0259 0.0051 -0.0083 876 VAL A CG1 \n1389 C CG2 . VAL A 184 ? 0.4331 0.5334 0.5629 -0.0264 0.0042 -0.0080 876 VAL A CG2 \n1390 N N . PRO A 185 ? 0.3997 0.4778 0.5147 -0.0196 -0.0035 -0.0060 877 PRO A N \n1391 C CA . PRO A 185 ? 0.3479 0.4220 0.4622 -0.0175 -0.0059 -0.0056 877 PRO A CA \n1392 C C . PRO A 185 ? 0.3583 0.4380 0.4807 -0.0162 -0.0060 -0.0064 877 PRO A C \n1393 O O . PRO A 185 ? 0.3013 0.3809 0.4253 -0.0132 -0.0051 -0.0074 877 PRO A O \n1394 C CB . PRO A 185 ? 0.3924 0.4613 0.5022 -0.0142 -0.0049 -0.0060 877 PRO A CB \n1395 C CG . PRO A 185 ? 0.3646 0.4377 0.4770 -0.0138 -0.0021 -0.0072 877 PRO A CG \n1396 C CD . PRO A 185 ? 0.4643 0.5410 0.5772 -0.0174 -0.0015 -0.0070 877 PRO A CD \n1397 N N . ILE A 186 ? 0.2826 0.3670 0.4102 -0.0186 -0.0073 -0.0059 878 ILE A N \n1398 C CA . ILE A 186 ? 0.3351 0.4260 0.4719 -0.0173 -0.0074 -0.0070 878 ILE A CA \n1399 C C . ILE A 186 ? 0.2910 0.3776 0.4274 -0.0141 -0.0096 -0.0072 878 ILE A C \n1400 O O . ILE A 186 ? 0.2894 0.3799 0.4316 -0.0117 -0.0089 -0.0086 878 ILE A O \n1401 C CB . ILE A 186 ? 0.3264 0.4229 0.4697 -0.0205 -0.0093 -0.0060 878 ILE A CB \n1402 C CG1 . ILE A 186 ? 0.3768 0.4798 0.5224 -0.0237 -0.0060 -0.0061 878 ILE A CG1 \n1403 C CG2 . ILE A 186 ? 0.3291 0.4311 0.4820 -0.0184 -0.0106 -0.0070 878 ILE A CG2 \n1404 C CD1 . ILE A 186 ? 0.4177 0.5295 0.5707 -0.0222 -0.0015 -0.0084 878 ILE A CD1 \n1405 N N . LYS A 187 ? 0.3059 0.3839 0.4348 -0.0142 -0.0125 -0.0058 879 LYS A N \n1406 C CA . LYS A 187 ? 0.2655 0.3382 0.3926 -0.0119 -0.0149 -0.0057 879 LYS A CA \n1407 C C . LYS A 187 ? 0.2496 0.3199 0.3741 -0.0089 -0.0122 -0.0067 879 LYS A C \n1408 O O . LYS A 187 ? 0.3014 0.3677 0.4244 -0.0071 -0.0136 -0.0067 879 LYS A O \n1409 C CB . LYS A 187 ? 0.3044 0.3677 0.4233 -0.0132 -0.0187 -0.0039 879 LYS A CB \n1410 C CG . LYS A 187 ? 0.4207 0.4863 0.5439 -0.0162 -0.0228 -0.0027 879 LYS A CG \n1411 C CD . LYS A 187 ? 0.4529 0.5080 0.5661 -0.0180 -0.0266 -0.0008 879 LYS A CD \n1412 C CE . LYS A 187 ? 0.3576 0.4147 0.4755 -0.0214 -0.0314 0.0006 879 LYS A CE \n1413 N NZ . LYS A 187 ? 0.3886 0.4340 0.4956 -0.0232 -0.0359 0.0025 879 LYS A NZ \n1414 N N . TRP A 188 ? 0.2492 0.3218 0.3731 -0.0086 -0.0088 -0.0074 880 TRP A N \n1415 C CA . TRP A 188 ? 0.3357 0.4076 0.4588 -0.0061 -0.0063 -0.0082 880 TRP A CA \n1416 C C . TRP A 188 ? 0.3177 0.3968 0.4477 -0.0053 -0.0042 -0.0099 880 TRP A C \n1417 O O . TRP A 188 ? 0.3613 0.4399 0.4913 -0.0035 -0.0028 -0.0107 880 TRP A O \n1418 C CB . TRP A 188 ? 0.2820 0.3500 0.3989 -0.0061 -0.0046 -0.0077 880 TRP A CB \n1419 C CG . TRP A 188 ? 0.3075 0.3672 0.4168 -0.0054 -0.0058 -0.0066 880 TRP A CG \n1420 C CD1 . TRP A 188 ? 0.3092 0.3646 0.4150 -0.0034 -0.0046 -0.0064 880 TRP A CD1 \n1421 C CD2 . TRP A 188 ? 0.3521 0.4065 0.4560 -0.0070 -0.0084 -0.0054 880 TRP A CD2 \n1422 N NE1 . TRP A 188 ? 0.3136 0.3612 0.4117 -0.0033 -0.0058 -0.0054 880 TRP A NE1 \n1423 C CE2 . TRP A 188 ? 0.3401 0.3865 0.4365 -0.0054 -0.0084 -0.0048 880 TRP A CE2 \n1424 C CE3 . TRP A 188 ? 0.3467 0.4023 0.4511 -0.0098 -0.0106 -0.0047 880 TRP A CE3 \n1425 C CZ2 . TRP A 188 ? 0.3533 0.3916 0.4417 -0.0062 -0.0108 -0.0038 880 TRP A CZ2 \n1426 C CZ3 . TRP A 188 ? 0.3428 0.3906 0.4398 -0.0110 -0.0136 -0.0034 880 TRP A CZ3 \n1427 C CH2 . TRP A 188 ? 0.2822 0.3212 0.3710 -0.0090 -0.0138 -0.0031 880 TRP A CH2 \n1428 N N . MET A 189 ? 0.2739 0.3593 0.4094 -0.0067 -0.0040 -0.0106 881 MET A N \n1429 C CA . MET A 189 ? 0.2628 0.3543 0.4031 -0.0060 -0.0012 -0.0124 881 MET A CA \n1430 C C . MET A 189 ? 0.2804 0.3752 0.4271 -0.0037 -0.0017 -0.0139 881 MET A C \n1431 O O . MET A 189 ? 0.2816 0.3772 0.4321 -0.0034 -0.0044 -0.0136 881 MET A O \n1432 C CB . MET A 189 ? 0.2925 0.3892 0.4348 -0.0088 0.0004 -0.0125 881 MET A CB \n1433 C CG . MET A 189 ? 0.3302 0.4235 0.4656 -0.0109 0.0014 -0.0114 881 MET A CG \n1434 S SD . MET A 189 ? 0.3900 0.4880 0.5268 -0.0152 0.0023 -0.0108 881 MET A SD \n1435 C CE . MET A 189 ? 0.3248 0.4309 0.4676 -0.0146 0.0065 -0.0132 881 MET A CE \n1436 N N . ALA A 190 ? 0.2680 0.3642 0.4158 -0.0019 0.0002 -0.0155 882 ALA A N \n1437 C CA . ALA A 190 ? 0.2123 0.3113 0.3659 0.0007 -0.0003 -0.0173 882 ALA A CA \n1438 C C . ALA A 190 ? 0.2428 0.3498 0.4041 0.0002 0.0007 -0.0185 882 ALA A C \n1439 O O . ALA A 190 ? 0.2364 0.3471 0.3976 -0.0020 0.0031 -0.0183 882 ALA A O \n1440 C CB . ALA A 190 ? 0.1870 0.2851 0.3392 0.0024 0.0016 -0.0188 882 ALA A CB \n1441 N N . LEU A 191 ? 0.2775 0.3873 0.4455 0.0025 -0.0010 -0.0197 883 LEU A N \n1442 C CA . LEU A 191 ? 0.2827 0.4014 0.4599 0.0024 0.0000 -0.0209 883 LEU A CA \n1443 C C . LEU A 191 ? 0.3034 0.4277 0.4818 0.0023 0.0053 -0.0228 883 LEU A C \n1444 O O . LEU A 191 ? 0.2609 0.3916 0.4430 0.0000 0.0077 -0.0227 883 LEU A O \n1445 C CB . LEU A 191 ? 0.2667 0.3873 0.4516 0.0057 -0.0030 -0.0222 883 LEU A CB \n1446 C CG . LEU A 191 ? 0.2574 0.3879 0.4540 0.0058 -0.0027 -0.0231 883 LEU A CG \n1447 C CD1 . LEU A 191 ? 0.3202 0.4530 0.5173 0.0014 -0.0034 -0.0207 883 LEU A CD1 \n1448 C CD2 . LEU A 191 ? 0.2599 0.3904 0.4634 0.0091 -0.0073 -0.0240 883 LEU A CD2 \n1449 N N . GLU A 192 ? 0.1794 0.3005 0.3538 0.0044 0.0070 -0.0244 884 GLU A N \n1450 C CA . GLU A 192 ? 0.1909 0.3153 0.3643 0.0043 0.0118 -0.0263 884 GLU A CA \n1451 C C . GLU A 192 ? 0.2346 0.3580 0.4015 0.0001 0.0141 -0.0247 884 GLU A C \n1452 O O . GLU A 192 ? 0.2105 0.3377 0.3770 -0.0012 0.0181 -0.0258 884 GLU A O \n1453 C CB . GLU A 192 ? 0.2434 0.3636 0.4134 0.0075 0.0123 -0.0283 884 GLU A CB \n1454 C CG . GLU A 192 ? 0.2629 0.3745 0.4240 0.0066 0.0106 -0.0268 884 GLU A CG \n1455 C CD . GLU A 192 ? 0.2790 0.3854 0.4393 0.0076 0.0063 -0.0252 884 GLU A CD \n1456 O OE1 . GLU A 192 ? 0.2264 0.3342 0.3916 0.0085 0.0037 -0.0249 884 GLU A OE1 \n1457 O OE2 . GLU A 192 ? 0.2177 0.3181 0.3721 0.0071 0.0053 -0.0241 884 GLU A OE2 \n1458 N N . SER A 193 ? 0.2973 0.4149 0.4585 -0.0017 0.0115 -0.0222 885 SER A N \n1459 C CA . SER A 193 ? 0.2356 0.3513 0.3905 -0.0054 0.0127 -0.0206 885 SER A CA \n1460 C C . SER A 193 ? 0.2550 0.3762 0.4139 -0.0086 0.0131 -0.0195 885 SER A C \n1461 O O . SER A 193 ? 0.2761 0.3991 0.4325 -0.0117 0.0158 -0.0192 885 SER A O \n1462 C CB . SER A 193 ? 0.2489 0.3569 0.3974 -0.0059 0.0098 -0.0185 885 SER A CB \n1463 O OG . SER A 193 ? 0.2896 0.3934 0.4354 -0.0034 0.0093 -0.0192 885 SER A OG \n1464 N N . ILE A 194 ? 0.2248 0.3478 0.3894 -0.0081 0.0101 -0.0187 886 ILE A N \n1465 C CA . ILE A 194 ? 0.2811 0.4095 0.4510 -0.0111 0.0095 -0.0174 886 ILE A CA \n1466 C C . ILE A 194 ? 0.2770 0.4151 0.4545 -0.0114 0.0138 -0.0193 886 ILE A C \n1467 O O . ILE A 194 ? 0.3094 0.4513 0.4867 -0.0153 0.0163 -0.0184 886 ILE A O \n1468 C CB . ILE A 194 ? 0.3578 0.4856 0.5325 -0.0101 0.0046 -0.0164 886 ILE A CB \n1469 C CG1 . ILE A 194 ? 0.3072 0.4248 0.4729 -0.0103 0.0011 -0.0145 886 ILE A CG1 \n1470 C CG2 . ILE A 194 ? 0.3112 0.4454 0.4928 -0.0134 0.0036 -0.0151 886 ILE A CG2 \n1471 C CD1 . ILE A 194 ? 0.2950 0.4095 0.4629 -0.0089 -0.0037 -0.0136 886 ILE A CD1 \n1472 N N . LEU A 195 ? 0.2906 0.4324 0.4742 -0.0073 0.0151 -0.0219 887 LEU A N \n1473 C CA . LEU A 195 ? 0.3182 0.4701 0.5106 -0.0067 0.0194 -0.0241 887 LEU A CA \n1474 C C . LEU A 195 ? 0.3433 0.4957 0.5302 -0.0074 0.0253 -0.0257 887 LEU A C \n1475 O O . LEU A 195 ? 0.2164 0.3764 0.4078 -0.0093 0.0296 -0.0264 887 LEU A O \n1476 C CB . LEU A 195 ? 0.2674 0.4231 0.4692 -0.0015 0.0182 -0.0264 887 LEU A CB \n1477 C CG . LEU A 195 ? 0.3812 0.5361 0.5887 -0.0007 0.0120 -0.0249 887 LEU A CG \n1478 C CD1 . LEU A 195 ? 0.3693 0.5250 0.5834 0.0046 0.0099 -0.0273 887 LEU A CD1 \n1479 C CD2 . LEU A 195 ? 0.3279 0.4907 0.5440 -0.0042 0.0111 -0.0232 887 LEU A CD2 \n1480 N N . HIS A 196 ? 0.2235 0.3676 0.4005 -0.0064 0.0253 -0.0262 888 HIS A N \n1481 C CA . HIS A 196 ? 0.2116 0.3547 0.3828 -0.0065 0.0302 -0.0281 888 HIS A CA \n1482 C C . HIS A 196 ? 0.2601 0.3939 0.4187 -0.0088 0.0296 -0.0268 888 HIS A C \n1483 O O . HIS A 196 ? 0.2582 0.3890 0.4104 -0.0086 0.0325 -0.0283 888 HIS A O \n1484 C CB . HIS A 196 ? 0.2642 0.4072 0.4376 -0.0011 0.0313 -0.0314 888 HIS A CB \n1485 C CG . HIS A 196 ? 0.2815 0.4343 0.4675 0.0016 0.0330 -0.0335 888 HIS A CG \n1486 N ND1 . HIS A 196 ? 0.3202 0.4817 0.5112 0.0006 0.0388 -0.0350 888 HIS A ND1 \n1487 C CD2 . HIS A 196 ? 0.2806 0.4359 0.4755 0.0053 0.0295 -0.0342 888 HIS A CD2 \n1488 C CE1 . HIS A 196 ? 0.3149 0.4847 0.5185 0.0040 0.0389 -0.0366 888 HIS A CE1 \n1489 N NE2 . HIS A 196 ? 0.3203 0.4861 0.5262 0.0069 0.0329 -0.0362 888 HIS A NE2 \n1490 N N . ARG A 197 ? 0.2220 0.3511 0.3772 -0.0107 0.0255 -0.0240 889 ARG A N \n1491 C CA . ARG A 197 ? 0.3218 0.4424 0.4663 -0.0128 0.0242 -0.0225 889 ARG A CA \n1492 C C . ARG A 197 ? 0.2542 0.3690 0.3942 -0.0097 0.0237 -0.0239 889 ARG A C \n1493 O O . ARG A 197 ? 0.2898 0.3990 0.4216 -0.0111 0.0242 -0.0238 889 ARG A O \n1494 C CB . ARG A 197 ? 0.3107 0.4315 0.4495 -0.0173 0.0274 -0.0220 889 ARG A CB \n1495 C CG . ARG A 197 ? 0.3310 0.4577 0.4744 -0.0210 0.0279 -0.0203 889 ARG A CG \n1496 C CD . ARG A 197 ? 0.4083 0.5334 0.5441 -0.0261 0.0306 -0.0194 889 ARG A CD \n1497 N NE . ARG A 197 ? 0.3870 0.5168 0.5263 -0.0304 0.0304 -0.0173 889 ARG A NE \n1498 C CZ . ARG A 197 ? 0.5005 0.6383 0.6441 -0.0335 0.0349 -0.0176 889 ARG A CZ \n1499 N NH1 . ARG A 197 ? 0.3863 0.5280 0.5305 -0.0324 0.0405 -0.0201 889 ARG A NH1 \n1500 N NH2 . ARG A 197 ? 0.4104 0.5519 0.5573 -0.0378 0.0339 -0.0152 889 ARG A NH2 \n1501 N N . ILE A 198 ? 0.2439 0.3596 0.3892 -0.0058 0.0222 -0.0252 890 ILE A N \n1502 C CA . ILE A 198 ? 0.2918 0.4016 0.4333 -0.0030 0.0209 -0.0262 890 ILE A CA \n1503 C C . ILE A 198 ? 0.2535 0.3579 0.3926 -0.0031 0.0168 -0.0239 890 ILE A C \n1504 O O . ILE A 198 ? 0.2518 0.3573 0.3951 -0.0024 0.0145 -0.0228 890 ILE A O \n1505 C CB . ILE A 198 ? 0.2880 0.4004 0.4356 0.0012 0.0209 -0.0286 890 ILE A CB \n1506 C CG1 . ILE A 198 ? 0.3485 0.4661 0.4983 0.0021 0.0256 -0.0314 890 ILE A CG1 \n1507 C CG2 . ILE A 198 ? 0.2516 0.3569 0.3949 0.0035 0.0185 -0.0291 890 ILE A CG2 \n1508 C CD1 . ILE A 198 ? 0.2529 0.3755 0.4117 0.0063 0.0257 -0.0338 890 ILE A CD1 \n1509 N N . TYR A 199 ? 0.2700 0.3684 0.4023 -0.0039 0.0159 -0.0232 891 TYR A N \n1510 C CA . TYR A 199 ? 0.3025 0.3962 0.4329 -0.0037 0.0127 -0.0212 891 TYR A CA \n1511 C C . TYR A 199 ? 0.2632 0.3523 0.3910 -0.0022 0.0116 -0.0217 891 TYR A C \n1512 O O . TYR A 199 ? 0.3002 0.3866 0.4231 -0.0030 0.0124 -0.0225 891 TYR A O \n1513 C CB . TYR A 199 ? 0.3225 0.4135 0.4479 -0.0066 0.0122 -0.0193 891 TYR A CB \n1514 C CG . TYR A 199 ? 0.3393 0.4329 0.4660 -0.0087 0.0122 -0.0181 891 TYR A CG \n1515 C CD1 . TYR A 199 ? 0.3133 0.4057 0.4414 -0.0082 0.0099 -0.0165 891 TYR A CD1 \n1516 C CD2 . TYR A 199 ? 0.3412 0.4380 0.4671 -0.0114 0.0146 -0.0185 891 TYR A CD2 \n1517 C CE1 . TYR A 199 ? 0.4019 0.4955 0.5302 -0.0103 0.0093 -0.0153 891 TYR A CE1 \n1518 C CE2 . TYR A 199 ? 0.3614 0.4602 0.4883 -0.0138 0.0142 -0.0170 891 TYR A CE2 \n1519 C CZ . TYR A 199 ? 0.3740 0.4710 0.5020 -0.0132 0.0112 -0.0154 891 TYR A CZ \n1520 O OH . TYR A 199 ? 0.4616 0.5594 0.5897 -0.0157 0.0102 -0.0139 891 TYR A OH \n1521 N N . THR A 200 ? 0.2709 0.3588 0.4014 -0.0002 0.0095 -0.0213 892 THR A N \n1522 C CA . THR A 200 ? 0.2838 0.3673 0.4125 0.0008 0.0078 -0.0214 892 THR A CA \n1523 C C . THR A 200 ? 0.2458 0.3276 0.3758 0.0009 0.0057 -0.0193 892 THR A C \n1524 O O . THR A 200 ? 0.2389 0.3221 0.3704 0.0005 0.0056 -0.0181 892 THR A O \n1525 C CB . THR A 200 ? 0.2441 0.3279 0.3752 0.0035 0.0077 -0.0235 892 THR A CB \n1526 O OG1 . THR A 200 ? 0.2600 0.3458 0.3958 0.0048 0.0064 -0.0230 892 THR A OG1 \n1527 C CG2 . THR A 200 ? 0.3017 0.3885 0.4328 0.0041 0.0107 -0.0261 892 THR A CG2 \n1528 N N . HIS A 201 ? 0.2657 0.3440 0.3949 0.0014 0.0040 -0.0187 893 HIS A N \n1529 C CA . HIS A 201 ? 0.3067 0.3839 0.4376 0.0015 0.0026 -0.0168 893 HIS A CA \n1530 C C . HIS A 201 ? 0.2350 0.3129 0.3684 0.0028 0.0022 -0.0169 893 HIS A C \n1531 O O . HIS A 201 ? 0.2163 0.2936 0.3500 0.0026 0.0019 -0.0153 893 HIS A O \n1532 C CB . HIS A 201 ? 0.2608 0.3348 0.3910 0.0011 0.0009 -0.0159 893 HIS A CB \n1533 C CG . HIS A 201 ? 0.2817 0.3544 0.4095 -0.0002 0.0006 -0.0155 893 HIS A CG \n1534 N ND1 . HIS A 201 ? 0.2949 0.3683 0.4230 -0.0011 0.0007 -0.0140 893 HIS A ND1 \n1535 C CD2 . HIS A 201 ? 0.3002 0.3703 0.4247 -0.0008 0.0000 -0.0166 893 HIS A CD2 \n1536 C CE1 . HIS A 201 ? 0.2813 0.3526 0.4066 -0.0023 -0.0001 -0.0140 893 HIS A CE1 \n1537 N NE2 . HIS A 201 ? 0.3474 0.4165 0.4702 -0.0023 -0.0007 -0.0154 893 HIS A NE2 \n1538 N N . GLN A 202 ? 0.2662 0.3453 0.4011 0.0043 0.0022 -0.0189 894 GLN A N \n1539 C CA . GLN A 202 ? 0.3008 0.3805 0.4384 0.0057 0.0011 -0.0192 894 GLN A CA \n1540 C C . GLN A 202 ? 0.2660 0.3491 0.4055 0.0052 0.0018 -0.0189 894 GLN A C \n1541 O O . GLN A 202 ? 0.2166 0.2987 0.3572 0.0056 0.0002 -0.0182 894 GLN A O \n1542 C CB . GLN A 202 ? 0.2712 0.3506 0.4104 0.0080 0.0003 -0.0216 894 GLN A CB \n1543 C CG . GLN A 202 ? 0.2451 0.3195 0.3817 0.0084 -0.0013 -0.0216 894 GLN A CG \n1544 C CD . GLN A 202 ? 0.3119 0.3828 0.4476 0.0074 -0.0032 -0.0192 894 GLN A CD \n1545 O OE1 . GLN A 202 ? 0.2739 0.3437 0.4081 0.0056 -0.0030 -0.0173 894 GLN A OE1 \n1546 N NE2 . GLN A 202 ? 0.2825 0.3516 0.4191 0.0085 -0.0052 -0.0192 894 GLN A NE2 \n1547 N N . SER A 203 ? 0.2305 0.3167 0.3698 0.0039 0.0037 -0.0193 895 SER A N \n1548 C CA . SER A 203 ? 0.2693 0.3576 0.4093 0.0026 0.0039 -0.0183 895 SER A CA \n1549 C C . SER A 203 ? 0.2776 0.3623 0.4141 0.0014 0.0032 -0.0160 895 SER A C \n1550 O O . SER A 203 ? 0.2485 0.3325 0.3848 0.0011 0.0022 -0.0150 895 SER A O \n1551 C CB . SER A 203 ? 0.3224 0.4150 0.4630 0.0011 0.0061 -0.0191 895 SER A CB \n1552 O OG . SER A 203 ? 0.2522 0.3429 0.3883 -0.0004 0.0073 -0.0187 895 SER A OG \n1553 N N . ASP A 204 ? 0.2664 0.3487 0.4003 0.0011 0.0036 -0.0152 896 ASP A N \n1554 C CA . ASP A 204 ? 0.2404 0.3196 0.3717 0.0007 0.0033 -0.0133 896 ASP A CA \n1555 C C . ASP A 204 ? 0.1875 0.2642 0.3189 0.0016 0.0023 -0.0125 896 ASP A C \n1556 O O . ASP A 204 ? 0.2167 0.2909 0.3457 0.0014 0.0022 -0.0113 896 ASP A O \n1557 C CB . ASP A 204 ? 0.2905 0.3686 0.4209 0.0004 0.0037 -0.0127 896 ASP A CB \n1558 C CG . ASP A 204 ? 0.3267 0.4052 0.4550 -0.0008 0.0042 -0.0128 896 ASP A CG \n1559 O OD1 . ASP A 204 ? 0.2851 0.3625 0.4128 -0.0011 0.0038 -0.0125 896 ASP A OD1 \n1560 O OD2 . ASP A 204 ? 0.2647 0.3443 0.3917 -0.0019 0.0046 -0.0130 896 ASP A OD2 \n1561 N N . VAL A 205 ? 0.1864 0.2627 0.3196 0.0026 0.0014 -0.0133 897 VAL A N \n1562 C CA . VAL A 205 ? 0.1757 0.2486 0.3080 0.0032 0.0000 -0.0126 897 VAL A CA \n1563 C C . VAL A 205 ? 0.2591 0.3309 0.3907 0.0033 -0.0012 -0.0124 897 VAL A C \n1564 O O . VAL A 205 ? 0.2232 0.2909 0.3514 0.0030 -0.0018 -0.0110 897 VAL A O \n1565 C CB . VAL A 205 ? 0.1789 0.2506 0.3127 0.0042 -0.0015 -0.0136 897 VAL A CB \n1566 C CG1 . VAL A 205 ? 0.1852 0.2526 0.3174 0.0046 -0.0035 -0.0129 897 VAL A CG1 \n1567 C CG2 . VAL A 205 ? 0.2414 0.3121 0.3747 0.0035 -0.0009 -0.0130 897 VAL A CG2 \n1568 N N . TRP A 206 ? 0.1984 0.2739 0.3332 0.0035 -0.0017 -0.0137 898 TRP A N \n1569 C CA . TRP A 206 ? 0.2443 0.3194 0.3794 0.0032 -0.0035 -0.0133 898 TRP A CA \n1570 C C . TRP A 206 ? 0.2272 0.2994 0.3576 0.0018 -0.0030 -0.0116 898 TRP A C \n1571 O O . TRP A 206 ? 0.2115 0.2788 0.3382 0.0016 -0.0047 -0.0105 898 TRP A O \n1572 C CB . TRP A 206 ? 0.2139 0.2952 0.3546 0.0033 -0.0034 -0.0149 898 TRP A CB \n1573 C CG . TRP A 206 ? 0.1837 0.2658 0.3263 0.0026 -0.0056 -0.0144 898 TRP A CG \n1574 C CD1 . TRP A 206 ? 0.2347 0.3144 0.3738 0.0008 -0.0064 -0.0128 898 TRP A CD1 \n1575 C CD2 . TRP A 206 ? 0.2264 0.3119 0.3755 0.0038 -0.0078 -0.0156 898 TRP A CD2 \n1576 N NE1 . TRP A 206 ? 0.2215 0.3027 0.3644 0.0004 -0.0093 -0.0127 898 TRP A NE1 \n1577 C CE2 . TRP A 206 ? 0.2218 0.3071 0.3715 0.0023 -0.0101 -0.0144 898 TRP A CE2 \n1578 C CE3 . TRP A 206 ? 0.2560 0.3445 0.4105 0.0062 -0.0082 -0.0176 898 TRP A CE3 \n1579 C CZ2 . TRP A 206 ? 0.2724 0.3612 0.4291 0.0030 -0.0130 -0.0150 898 TRP A CZ2 \n1580 C CZ3 . TRP A 206 ? 0.2655 0.3578 0.4272 0.0073 -0.0107 -0.0185 898 TRP A CZ3 \n1581 C CH2 . TRP A 206 ? 0.2477 0.3402 0.4107 0.0056 -0.0131 -0.0171 898 TRP A CH2 \n1582 N N . SER A 207 ? 0.2085 0.2825 0.3379 0.0009 -0.0009 -0.0115 899 SER A N \n1583 C CA . SER A 207 ? 0.2061 0.2771 0.3308 0.0000 -0.0005 -0.0102 899 SER A CA \n1584 C C . SER A 207 ? 0.2428 0.3088 0.3633 0.0007 0.0001 -0.0090 899 SER A C \n1585 O O . SER A 207 ? 0.2326 0.2940 0.3480 0.0005 0.0000 -0.0080 899 SER A O \n1586 C CB . SER A 207 ? 0.2226 0.2961 0.3471 -0.0009 0.0010 -0.0103 899 SER A CB \n1587 O OG . SER A 207 ? 0.3026 0.3809 0.4306 -0.0019 0.0010 -0.0114 899 SER A OG \n1588 N N . TYR A 208 ? 0.2420 0.3087 0.3642 0.0014 0.0011 -0.0091 900 TYR A N \n1589 C CA . TYR A 208 ? 0.2237 0.2863 0.3428 0.0018 0.0022 -0.0079 900 TYR A CA \n1590 C C . TYR A 208 ? 0.2569 0.3143 0.3721 0.0018 0.0005 -0.0074 900 TYR A C \n1591 O O . TYR A 208 ? 0.2346 0.2873 0.3444 0.0017 0.0016 -0.0063 900 TYR A O \n1592 C CB . TYR A 208 ? 0.2786 0.3430 0.4007 0.0019 0.0030 -0.0080 900 TYR A CB \n1593 C CG . TYR A 208 ? 0.2518 0.3129 0.3715 0.0018 0.0045 -0.0065 900 TYR A CG \n1594 C CD1 . TYR A 208 ? 0.2530 0.3102 0.3705 0.0015 0.0032 -0.0060 900 TYR A CD1 \n1595 C CD2 . TYR A 208 ? 0.3118 0.3738 0.4316 0.0019 0.0072 -0.0056 900 TYR A CD2 \n1596 C CE1 . TYR A 208 ? 0.3283 0.3825 0.4431 0.0008 0.0050 -0.0045 900 TYR A CE1 \n1597 C CE2 . TYR A 208 ? 0.2675 0.3274 0.3859 0.0016 0.0093 -0.0042 900 TYR A CE2 \n1598 C CZ . TYR A 208 ? 0.3254 0.3813 0.4408 0.0008 0.0084 -0.0036 900 TYR A CZ \n1599 O OH . TYR A 208 ? 0.3145 0.3683 0.4279 0.0000 0.0108 -0.0021 900 TYR A OH \n1600 N N . GLY A 209 ? 0.2667 0.3246 0.3842 0.0019 -0.0021 -0.0082 901 GLY A N \n1601 C CA . GLY A 209 ? 0.2484 0.3005 0.3621 0.0018 -0.0047 -0.0076 901 GLY A CA \n1602 C C . GLY A 209 ? 0.2556 0.3041 0.3645 0.0012 -0.0055 -0.0068 901 GLY A C \n1603 O O . GLY A 209 ? 0.2543 0.2957 0.3565 0.0009 -0.0063 -0.0058 901 GLY A O \n1604 N N . VAL A 210 ? 0.2625 0.3151 0.3742 0.0007 -0.0057 -0.0073 902 VAL A N \n1605 C CA . VAL A 210 ? 0.2244 0.2733 0.3314 -0.0001 -0.0071 -0.0066 902 VAL A CA \n1606 C C . VAL A 210 ? 0.2572 0.3008 0.3569 0.0002 -0.0044 -0.0057 902 VAL A C \n1607 O O . VAL A 210 ? 0.2896 0.3259 0.3819 0.0000 -0.0053 -0.0048 902 VAL A O \n1608 C CB . VAL A 210 ? 0.2599 0.3144 0.3714 -0.0012 -0.0077 -0.0071 902 VAL A CB \n1609 C CG1 . VAL A 210 ? 0.2876 0.3371 0.3938 -0.0026 -0.0101 -0.0060 902 VAL A CG1 \n1610 C CG2 . VAL A 210 ? 0.2210 0.2817 0.3407 -0.0011 -0.0094 -0.0082 902 VAL A CG2 \n1611 N N . THR A 211 ? 0.2530 0.3003 0.3550 0.0008 -0.0012 -0.0059 903 THR A N \n1612 C CA . THR A 211 ? 0.2645 0.3083 0.3615 0.0017 0.0017 -0.0053 903 THR A CA \n1613 C C . THR A 211 ? 0.2164 0.2538 0.3074 0.0021 0.0028 -0.0045 903 THR A C \n1614 O O . THR A 211 ? 0.2578 0.2885 0.3411 0.0025 0.0037 -0.0039 903 THR A O \n1615 C CB . THR A 211 ? 0.2349 0.2845 0.3372 0.0024 0.0044 -0.0057 903 THR A CB \n1616 O OG1 . THR A 211 ? 0.2518 0.3059 0.3578 0.0017 0.0033 -0.0064 903 THR A OG1 \n1617 C CG2 . THR A 211 ? 0.2580 0.3053 0.3570 0.0038 0.0075 -0.0052 903 THR A CG2 \n1618 N N . VAL A 212 ? 0.2426 0.2813 0.3365 0.0018 0.0028 -0.0044 904 VAL A N \n1619 C CA . VAL A 212 ? 0.2678 0.3003 0.3557 0.0016 0.0037 -0.0034 904 VAL A CA \n1620 C C . VAL A 212 ? 0.3394 0.3633 0.4191 0.0010 0.0007 -0.0030 904 VAL A C \n1621 O O . VAL A 212 ? 0.2939 0.3104 0.3649 0.0010 0.0023 -0.0022 904 VAL A O \n1622 C CB . VAL A 212 ? 0.2888 0.3234 0.3808 0.0010 0.0030 -0.0034 904 VAL A CB \n1623 C CG1 . VAL A 212 ? 0.3699 0.3967 0.4545 0.0001 0.0031 -0.0022 904 VAL A CG1 \n1624 C CG2 . VAL A 212 ? 0.3306 0.3718 0.4290 0.0012 0.0060 -0.0034 904 VAL A CG2 \n1625 N N . TRP A 213 ? 0.2856 0.3104 0.3680 0.0005 -0.0037 -0.0035 905 TRP A N \n1626 C CA . TRP A 213 ? 0.2986 0.3156 0.3743 -0.0002 -0.0075 -0.0029 905 TRP A CA \n1627 C C . TRP A 213 ? 0.2931 0.3046 0.3609 0.0000 -0.0063 -0.0025 905 TRP A C \n1628 O O . TRP A 213 ? 0.3043 0.3058 0.3618 -0.0003 -0.0071 -0.0018 905 TRP A O \n1629 C CB . TRP A 213 ? 0.3086 0.3302 0.3915 -0.0007 -0.0122 -0.0035 905 TRP A CB \n1630 C CG . TRP A 213 ? 0.3462 0.3602 0.4237 -0.0018 -0.0174 -0.0028 905 TRP A CG \n1631 C CD1 . TRP A 213 ? 0.3501 0.3587 0.4256 -0.0022 -0.0216 -0.0024 905 TRP A CD1 \n1632 C CD2 . TRP A 213 ? 0.3405 0.3508 0.4139 -0.0028 -0.0198 -0.0022 905 TRP A CD2 \n1633 N NE1 . TRP A 213 ? 0.3245 0.3263 0.3950 -0.0033 -0.0264 -0.0015 905 TRP A NE1 \n1634 C CE2 . TRP A 213 ? 0.3770 0.3799 0.4463 -0.0038 -0.0254 -0.0014 905 TRP A CE2 \n1635 C CE3 . TRP A 213 ? 0.3516 0.3636 0.4242 -0.0031 -0.0182 -0.0022 905 TRP A CE3 \n1636 C CZ2 . TRP A 213 ? 0.3816 0.3788 0.4460 -0.0053 -0.0295 -0.0005 905 TRP A CZ2 \n1637 C CZ3 . TRP A 213 ? 0.3452 0.3513 0.4125 -0.0045 -0.0221 -0.0014 905 TRP A CZ3 \n1638 C CH2 . TRP A 213 ? 0.3738 0.3728 0.4373 -0.0057 -0.0277 -0.0005 905 TRP A CH2 \n1639 N N . GLU A 214 ? 0.2689 0.2858 0.3406 0.0004 -0.0046 -0.0030 906 GLU A N \n1640 C CA . GLU A 214 ? 0.3126 0.3240 0.3769 0.0009 -0.0037 -0.0028 906 GLU A CA \n1641 C C . GLU A 214 ? 0.3525 0.3579 0.4089 0.0023 0.0005 -0.0026 906 GLU A C \n1642 O O . GLU A 214 ? 0.3749 0.3710 0.4210 0.0027 0.0005 -0.0022 906 GLU A O \n1643 C CB . GLU A 214 ? 0.3406 0.3589 0.4104 0.0014 -0.0021 -0.0035 906 GLU A CB \n1644 C CG . GLU A 214 ? 0.3056 0.3293 0.3816 -0.0001 -0.0055 -0.0037 906 GLU A CG \n1645 C CD . GLU A 214 ? 0.2970 0.3255 0.3762 0.0000 -0.0038 -0.0042 906 GLU A CD \n1646 O OE1 . GLU A 214 ? 0.3344 0.3583 0.4081 -0.0002 -0.0050 -0.0039 906 GLU A OE1 \n1647 O OE2 . GLU A 214 ? 0.3234 0.3593 0.4098 0.0004 -0.0018 -0.0048 906 GLU A OE2 \n1648 N N . LEU A 215 ? 0.3417 0.3524 0.4031 0.0030 0.0044 -0.0027 907 LEU A N \n1649 C CA . LEU A 215 ? 0.3738 0.3807 0.4296 0.0042 0.0094 -0.0023 907 LEU A CA \n1650 C C . LEU A 215 ? 0.3713 0.3676 0.4163 0.0032 0.0087 -0.0015 907 LEU A C \n1651 O O . LEU A 215 ? 0.3895 0.3773 0.4240 0.0041 0.0110 -0.0013 907 LEU A O \n1652 C CB . LEU A 215 ? 0.3539 0.3695 0.4188 0.0045 0.0130 -0.0023 907 LEU A CB \n1653 C CG . LEU A 215 ? 0.3402 0.3647 0.4141 0.0056 0.0141 -0.0030 907 LEU A CG \n1654 C CD1 . LEU A 215 ? 0.3761 0.4074 0.4573 0.0058 0.0176 -0.0027 907 LEU A CD1 \n1655 C CD2 . LEU A 215 ? 0.3543 0.3759 0.4240 0.0076 0.0155 -0.0035 907 LEU A CD2 \n1656 N N . MET A 216 ? 0.4067 0.4030 0.4538 0.0015 0.0053 -0.0010 908 MET A N \n1657 C CA . MET A 216 ? 0.4104 0.3966 0.4477 0.0002 0.0039 -0.0001 908 MET A CA \n1658 C C . MET A 216 ? 0.4198 0.3949 0.4463 -0.0003 -0.0003 0.0001 908 MET A C \n1659 O O . MET A 216 ? 0.4184 0.3826 0.4337 -0.0013 -0.0011 0.0009 908 MET A O \n1660 C CB . MET A 216 ? 0.3638 0.3527 0.4068 -0.0011 0.0004 0.0001 908 MET A CB \n1661 C CG . MET A 216 ? 0.3814 0.3793 0.4335 -0.0011 0.0037 0.0000 908 MET A CG \n1662 S SD . MET A 216 ? 0.4694 0.4642 0.5153 -0.0015 0.0107 0.0012 908 MET A SD \n1663 C CE . MET A 216 ? 0.4280 0.4357 0.4878 -0.0014 0.0135 0.0011 908 MET A CE \n1664 N N . THR A 217 ? 0.4389 0.4162 0.4685 0.0000 -0.0035 -0.0003 909 THR A N \n1665 C CA . THR A 217 ? 0.4027 0.3697 0.4226 -0.0008 -0.0081 0.0000 909 THR A CA \n1666 C C . THR A 217 ? 0.4574 0.4193 0.4692 0.0007 -0.0048 -0.0003 909 THR A C \n1667 O O . THR A 217 ? 0.4372 0.3901 0.4403 0.0003 -0.0083 0.0000 909 THR A O \n1668 C CB . THR A 217 ? 0.3820 0.3542 0.4101 -0.0019 -0.0141 0.0000 909 THR A CB \n1669 O OG1 . THR A 217 ? 0.4039 0.3859 0.4407 -0.0011 -0.0119 -0.0007 909 THR A OG1 \n1670 C CG2 . THR A 217 ? 0.4312 0.4083 0.4678 -0.0030 -0.0179 0.0001 909 THR A CG2 \n1671 N N . PHE A 218 ? 0.4201 0.3877 0.4353 0.0027 0.0015 -0.0009 910 PHE A N \n1672 C CA . PHE A 218 ? 0.5089 0.4731 0.5182 0.0050 0.0051 -0.0017 910 PHE A CA \n1673 C C . PHE A 218 ? 0.4800 0.4459 0.4920 0.0049 0.0011 -0.0020 910 PHE A C \n1674 O O . PHE A 218 ? 0.4512 0.4083 0.4535 0.0058 0.0002 -0.0022 910 PHE A O \n1675 C CB . PHE A 218 ? 0.5081 0.4577 0.5008 0.0055 0.0068 -0.0014 910 PHE A CB \n1676 C CG . PHE A 218 ? 0.4744 0.4225 0.4641 0.0051 0.0112 -0.0009 910 PHE A CG \n1677 C CD1 . PHE A 218 ? 0.5609 0.5151 0.5545 0.0069 0.0188 -0.0014 910 PHE A CD1 \n1678 C CD2 . PHE A 218 ? 0.5242 0.4647 0.5075 0.0025 0.0075 0.0001 910 PHE A CD2 \n1679 C CE1 . PHE A 218 ? 0.5072 0.4603 0.4983 0.0059 0.0230 -0.0006 910 PHE A CE1 \n1680 C CE2 . PHE A 218 ? 0.5194 0.4576 0.4989 0.0016 0.0114 0.0008 910 PHE A CE2 \n1681 C CZ . PHE A 218 ? 0.5210 0.4657 0.5043 0.0031 0.0194 0.0005 910 PHE A CZ \n1682 N N . GLY A 219 ? 0.3825 0.3592 0.4070 0.0038 -0.0010 -0.0021 911 GLY A N \n1683 C CA . GLY A 219 ? 0.3826 0.3628 0.4111 0.0033 -0.0037 -0.0023 911 GLY A CA \n1684 C C . GLY A 219 ? 0.3959 0.3723 0.4225 0.0007 -0.0104 -0.0015 911 GLY A C \n1685 O O . GLY A 219 ? 0.3953 0.3699 0.4200 0.0001 -0.0128 -0.0014 911 GLY A O \n1686 N N . SER A 220 ? 0.4351 0.4103 0.4626 -0.0009 -0.0138 -0.0008 912 SER A N \n1687 C CA . SER A 220 ? 0.4092 0.3841 0.4392 -0.0036 -0.0204 0.0000 912 SER A CA \n1688 C C . SER A 220 ? 0.3741 0.3617 0.4173 -0.0046 -0.0210 -0.0003 912 SER A C \n1689 O O . SER A 220 ? 0.3525 0.3497 0.4044 -0.0036 -0.0173 -0.0012 912 SER A O \n1690 C CB . SER A 220 ? 0.4691 0.4409 0.4990 -0.0047 -0.0242 0.0006 912 SER A CB \n1691 O OG . SER A 220 ? 0.4822 0.4405 0.4979 -0.0044 -0.0243 0.0011 912 SER A OG \n1692 N N . LYS A 221 ? 0.4242 0.4114 0.4685 -0.0071 -0.0260 0.0004 913 LYS A N \n1693 C CA . LYS A 221 ? 0.4383 0.4369 0.4943 -0.0088 -0.0267 0.0003 913 LYS A CA \n1694 C C . LYS A 221 ? 0.4370 0.4437 0.5039 -0.0096 -0.0287 0.0001 913 LYS A C \n1695 O O . LYS A 221 ? 0.3920 0.3943 0.4578 -0.0108 -0.0336 0.0010 913 LYS A O \n1696 C CB . LYS A 221 ? 0.4642 0.4587 0.5165 -0.0115 -0.0311 0.0015 913 LYS A CB \n1697 C CG . LYS A 221 ? 0.5168 0.5046 0.5598 -0.0107 -0.0295 0.0014 913 LYS A CG \n1698 C CD . LYS A 221 ? 0.6868 0.6690 0.7250 -0.0139 -0.0348 0.0028 913 LYS A CD \n1699 C CE . LYS A 221 ? 0.7861 0.7795 0.8356 -0.0170 -0.0358 0.0033 913 LYS A CE \n1700 N NZ . LYS A 221 ? 0.9970 0.9850 1.0419 -0.0208 -0.0412 0.0050 913 LYS A NZ \n1701 N N . PRO A 222 ? 0.4009 0.4187 0.4782 -0.0087 -0.0253 -0.0009 914 PRO A N \n1702 C CA . PRO A 222 ? 0.3311 0.3559 0.4184 -0.0087 -0.0269 -0.0014 914 PRO A CA \n1703 C C . PRO A 222 ? 0.3990 0.4284 0.4934 -0.0113 -0.0314 -0.0007 914 PRO A C \n1704 O O . PRO A 222 ? 0.3790 0.4121 0.4752 -0.0133 -0.0311 -0.0003 914 PRO A O \n1705 C CB . PRO A 222 ? 0.3862 0.4207 0.4812 -0.0073 -0.0219 -0.0028 914 PRO A CB \n1706 C CG . PRO A 222 ? 0.3979 0.4332 0.4902 -0.0078 -0.0192 -0.0028 914 PRO A CG \n1707 C CD . PRO A 222 ? 0.3830 0.4067 0.4630 -0.0076 -0.0203 -0.0018 914 PRO A CD \n1708 N N . TYR A 223 ? 0.3786 0.4078 0.4770 -0.0115 -0.0358 -0.0004 915 TYR A N \n1709 C CA . TYR A 223 ? 0.3816 0.4160 0.4884 -0.0139 -0.0404 0.0002 915 TYR A CA \n1710 C C . TYR A 223 ? 0.4591 0.4876 0.5592 -0.0170 -0.0433 0.0020 915 TYR A C \n1711 O O . TYR A 223 ? 0.5290 0.5647 0.6359 -0.0196 -0.0439 0.0025 915 TYR A O \n1712 C CB . TYR A 223 ? 0.3680 0.4170 0.4885 -0.0140 -0.0372 -0.0009 915 TYR A CB \n1713 C CG . TYR A 223 ? 0.3113 0.3658 0.4369 -0.0109 -0.0332 -0.0029 915 TYR A CG \n1714 C CD1 . TYR A 223 ? 0.3498 0.4063 0.4818 -0.0091 -0.0357 -0.0037 915 TYR A CD1 \n1715 C CD2 . TYR A 223 ? 0.3966 0.4536 0.5204 -0.0098 -0.0275 -0.0039 915 TYR A CD2 \n1716 C CE1 . TYR A 223 ? 0.3620 0.4227 0.4979 -0.0063 -0.0324 -0.0055 915 TYR A CE1 \n1717 C CE2 . TYR A 223 ? 0.3334 0.3947 0.4613 -0.0073 -0.0244 -0.0056 915 TYR A CE2 \n1718 C CZ . TYR A 223 ? 0.3187 0.3816 0.4522 -0.0056 -0.0268 -0.0064 915 TYR A CZ \n1719 O OH . TYR A 223 ? 0.3887 0.4551 0.5258 -0.0032 -0.0240 -0.0080 915 TYR A OH \n1720 N N . ASP A 224 ? 0.5151 0.5301 0.6012 -0.0168 -0.0448 0.0028 916 ASP A N \n1721 C CA . ASP A 224 ? 0.5830 0.5895 0.6598 -0.0192 -0.0478 0.0044 916 ASP A CA \n1722 C C . ASP A 224 ? 0.5812 0.5897 0.6643 -0.0227 -0.0546 0.0060 916 ASP A C \n1723 O O . ASP A 224 ? 0.5600 0.5678 0.6470 -0.0227 -0.0590 0.0064 916 ASP A O \n1724 C CB . ASP A 224 ? 0.6434 0.6340 0.7037 -0.0178 -0.0487 0.0047 916 ASP A CB \n1725 C CG . ASP A 224 ? 0.6817 0.6618 0.7302 -0.0196 -0.0511 0.0059 916 ASP A CG \n1726 O OD1 . ASP A 224 ? 0.7661 0.7321 0.8011 -0.0192 -0.0537 0.0065 916 ASP A OD1 \n1727 O OD2 . ASP A 224 ? 0.5865 0.5715 0.6381 -0.0214 -0.0504 0.0062 916 ASP A OD2 \n1728 N N . GLY A 225 ? 0.6830 0.6945 0.7678 -0.0259 -0.0555 0.0071 917 GLY A N \n1729 C CA . GLY A 225 ? 0.9298 0.9438 1.0211 -0.0300 -0.0618 0.0090 917 GLY A CA \n1730 C C . GLY A 225 ? 0.8729 0.9039 0.9827 -0.0311 -0.0605 0.0086 917 GLY A C \n1731 O O . GLY A 225 ? 0.7563 0.7930 0.8731 -0.0350 -0.0633 0.0101 917 GLY A O \n1732 N N . ILE A 226 ? 0.7571 0.7962 0.8746 -0.0276 -0.0562 0.0065 918 ILE A N \n1733 C CA . ILE A 226 ? 0.5624 0.6176 0.6970 -0.0276 -0.0538 0.0054 918 ILE A CA \n1734 C C . ILE A 226 ? 0.6378 0.7016 0.7757 -0.0295 -0.0482 0.0051 918 ILE A C \n1735 O O . ILE A 226 ? 0.6158 0.6769 0.7463 -0.0279 -0.0433 0.0040 918 ILE A O \n1736 C CB . ILE A 226 ? 0.6731 0.7322 0.8133 -0.0232 -0.0514 0.0032 918 ILE A CB \n1737 C CG1 . ILE A 226 ? 0.7936 0.8458 0.9331 -0.0223 -0.0582 0.0038 918 ILE A CG1 \n1738 C CG2 . ILE A 226 ? 0.5529 0.6280 0.7088 -0.0225 -0.0475 0.0016 918 ILE A CG2 \n1739 C CD1 . ILE A 226 ? 0.9994 1.0506 1.1395 -0.0180 -0.0567 0.0020 918 ILE A CD1 \n1740 N N . PRO A 227 ? 0.6265 0.7005 0.7753 -0.0331 -0.0490 0.0060 919 PRO A N \n1741 C CA . PRO A 227 ? 0.5769 0.6580 0.7276 -0.0355 -0.0440 0.0060 919 PRO A CA \n1742 C C . PRO A 227 ? 0.5006 0.5904 0.6568 -0.0322 -0.0369 0.0032 919 PRO A C \n1743 O O . PRO A 227 ? 0.3791 0.4759 0.5452 -0.0292 -0.0361 0.0016 919 PRO A O \n1744 C CB . PRO A 227 ? 0.5345 0.6259 0.6978 -0.0400 -0.0464 0.0076 919 PRO A CB \n1745 C CG . PRO A 227 ? 0.6697 0.7568 0.8356 -0.0403 -0.0541 0.0090 919 PRO A CG \n1746 C CD . PRO A 227 ? 0.6948 0.7748 0.8556 -0.0350 -0.0544 0.0072 919 PRO A CD \n1747 N N . ALA A 228 ? 0.4646 0.5533 0.6142 -0.0326 -0.0323 0.0028 920 ALA A N \n1748 C CA . ALA A 228 ? 0.5895 0.6847 0.7422 -0.0299 -0.0259 0.0004 920 ALA A CA \n1749 C C . ALA A 228 ? 0.5724 0.6819 0.7400 -0.0302 -0.0230 -0.0008 920 ALA A C \n1750 O O . ALA A 228 ? 0.4040 0.5184 0.5764 -0.0265 -0.0196 -0.0031 920 ALA A O \n1751 C CB . ALA A 228 ? 0.4500 0.5418 0.5939 -0.0313 -0.0225 0.0005 920 ALA A CB \n1752 N N . SER A 229 ? 0.4367 0.5529 0.6115 -0.0345 -0.0245 0.0007 921 SER A N \n1753 C CA . SER A 229 ? 0.3859 0.5166 0.5758 -0.0347 -0.0213 -0.0004 921 SER A CA \n1754 C C . SER A 229 ? 0.4132 0.5485 0.6137 -0.0305 -0.0235 -0.0019 921 SER A C \n1755 O O . SER A 229 ? 0.4524 0.5991 0.6648 -0.0288 -0.0199 -0.0038 921 SER A O \n1756 C CB . SER A 229 ? 0.4430 0.5803 0.6390 -0.0408 -0.0224 0.0019 921 SER A CB \n1757 O OG . SER A 229 ? 0.4650 0.5994 0.6640 -0.0425 -0.0297 0.0041 921 SER A OG \n1758 N N . GLU A 230 ? 0.3843 0.5101 0.5800 -0.0287 -0.0293 -0.0012 922 GLU A N \n1759 C CA . GLU A 230 ? 0.3692 0.4972 0.5734 -0.0249 -0.0326 -0.0024 922 GLU A CA \n1760 C C . GLU A 230 ? 0.3093 0.4321 0.5081 -0.0197 -0.0304 -0.0047 922 GLU A C \n1761 O O . GLU A 230 ? 0.3589 0.4832 0.5641 -0.0162 -0.0327 -0.0061 922 GLU A O \n1762 C CB . GLU A 230 ? 0.4492 0.5692 0.6514 -0.0264 -0.0410 0.0000 922 GLU A CB \n1763 C CG . GLU A 230 ? 0.6298 0.7560 0.8406 -0.0314 -0.0447 0.0023 922 GLU A CG \n1764 C CD . GLU A 230 ? 0.8229 0.9618 1.0526 -0.0303 -0.0466 0.0016 922 GLU A CD \n1765 O OE1 . GLU A 230 ? 1.0418 1.1820 1.2778 -0.0336 -0.0528 0.0039 922 GLU A OE1 \n1766 O OE2 . GLU A 230 ? 0.6964 0.8438 0.9349 -0.0262 -0.0423 -0.0012 922 GLU A OE2 \n1767 N N . ILE A 231 ? 0.3651 0.4822 0.5528 -0.0193 -0.0265 -0.0051 923 ILE A N \n1768 C CA . ILE A 231 ? 0.2896 0.4007 0.4713 -0.0150 -0.0251 -0.0068 923 ILE A CA \n1769 C C . ILE A 231 ? 0.2475 0.3669 0.4386 -0.0112 -0.0218 -0.0097 923 ILE A C \n1770 O O . ILE A 231 ? 0.3079 0.4240 0.4996 -0.0078 -0.0241 -0.0107 923 ILE A O \n1771 C CB . ILE A 231 ? 0.3691 0.4725 0.5378 -0.0153 -0.0218 -0.0065 923 ILE A CB \n1772 C CG1 . ILE A 231 ? 0.3609 0.4530 0.5184 -0.0174 -0.0259 -0.0042 923 ILE A CG1 \n1773 C CG2 . ILE A 231 ? 0.3133 0.4137 0.4786 -0.0113 -0.0194 -0.0084 923 ILE A CG2 \n1774 C CD1 . ILE A 231 ? 0.3295 0.4124 0.4823 -0.0156 -0.0307 -0.0036 923 ILE A CD1 \n1775 N N . SER A 232 ? 0.2474 0.3767 0.4447 -0.0119 -0.0165 -0.0110 924 SER A N \n1776 C CA . SER A 232 ? 0.3373 0.4737 0.5427 -0.0080 -0.0132 -0.0140 924 SER A CA \n1777 C C . SER A 232 ? 0.3233 0.4644 0.5406 -0.0054 -0.0174 -0.0148 924 SER A C \n1778 O O . SER A 232 ? 0.2494 0.3900 0.4691 -0.0011 -0.0177 -0.0169 924 SER A O \n1779 C CB . SER A 232 ? 0.3770 0.5230 0.5867 -0.0094 -0.0067 -0.0152 924 SER A CB \n1780 O OG . SER A 232 ? 0.4008 0.5566 0.6213 -0.0122 -0.0068 -0.0144 924 SER A OG \n1781 N N . SER A 233 ? 0.3645 0.5099 0.5894 -0.0081 -0.0213 -0.0130 925 SER A N \n1782 C CA . SER A 233 ? 0.3453 0.4953 0.5824 -0.0053 -0.0258 -0.0139 925 SER A CA \n1783 C C . SER A 233 ? 0.3232 0.4611 0.5533 -0.0031 -0.0322 -0.0133 925 SER A C \n1784 O O . SER A 233 ? 0.3018 0.4398 0.5371 0.0010 -0.0345 -0.0151 925 SER A O \n1785 C CB . SER A 233 ? 0.4625 0.6213 0.7116 -0.0088 -0.0286 -0.0121 925 SER A CB \n1786 O OG . SER A 233 ? 0.5599 0.7102 0.8006 -0.0131 -0.0334 -0.0088 925 SER A OG \n1787 N N . ILE A 234 ? 0.3309 0.4573 0.5478 -0.0057 -0.0348 -0.0109 926 ILE A N \n1788 C CA . ILE A 234 ? 0.4040 0.5173 0.6111 -0.0042 -0.0398 -0.0102 926 ILE A CA \n1789 C C . ILE A 234 ? 0.3330 0.4431 0.5359 -0.0001 -0.0369 -0.0124 926 ILE A C \n1790 O O . ILE A 234 ? 0.3135 0.4201 0.5182 0.0029 -0.0407 -0.0133 926 ILE A O \n1791 C CB . ILE A 234 ? 0.4687 0.5711 0.6618 -0.0078 -0.0415 -0.0074 926 ILE A CB \n1792 C CG1 . ILE A 234 ? 0.5209 0.6210 0.7167 -0.0106 -0.0488 -0.0051 926 ILE A CG1 \n1793 C CG2 . ILE A 234 ? 0.5683 0.6582 0.7473 -0.0062 -0.0414 -0.0074 926 ILE A CG2 \n1794 C CD1 . ILE A 234 ? 0.6916 0.7819 0.8747 -0.0145 -0.0505 -0.0025 926 ILE A CD1 \n1795 N N . LEU A 235 ? 0.3673 0.4783 0.5647 -0.0001 -0.0306 -0.0133 927 LEU A N \n1796 C CA . LEU A 235 ? 0.3098 0.4185 0.5038 0.0032 -0.0276 -0.0153 927 LEU A CA \n1797 C C . LEU A 235 ? 0.2829 0.3989 0.4882 0.0072 -0.0275 -0.0181 927 LEU A C \n1798 O O . LEU A 235 ? 0.3000 0.4108 0.5032 0.0103 -0.0293 -0.0193 927 LEU A O \n1799 C CB . LEU A 235 ? 0.2930 0.4030 0.4813 0.0021 -0.0212 -0.0158 927 LEU A CB \n1800 C CG . LEU A 235 ? 0.3192 0.4211 0.4957 -0.0007 -0.0210 -0.0134 927 LEU A CG \n1801 C CD1 . LEU A 235 ? 0.3372 0.4409 0.5093 -0.0016 -0.0153 -0.0139 927 LEU A CD1 \n1802 C CD2 . LEU A 235 ? 0.3026 0.3933 0.4701 0.0004 -0.0241 -0.0126 927 LEU A CD2 \n1803 N N . GLU A 236 ? 0.3537 0.4815 0.5708 0.0070 -0.0252 -0.0192 928 GLU A N \n1804 C CA . GLU A 236 ? 0.3738 0.5098 0.6029 0.0112 -0.0245 -0.0222 928 GLU A CA \n1805 C C . GLU A 236 ? 0.4014 0.5346 0.6364 0.0138 -0.0318 -0.0222 928 GLU A C \n1806 O O . GLU A 236 ? 0.3668 0.5009 0.6066 0.0183 -0.0326 -0.0247 928 GLU A O \n1807 C CB . GLU A 236 ? 0.3825 0.5325 0.6235 0.0100 -0.0200 -0.0231 928 GLU A CB \n1808 C CG . GLU A 236 ? 0.4376 0.5914 0.6746 0.0090 -0.0121 -0.0243 928 GLU A CG \n1809 C CD . GLU A 236 ? 0.7449 0.9105 0.9904 0.0059 -0.0078 -0.0240 928 GLU A CD \n1810 O OE1 . GLU A 236 ? 0.8096 0.9807 1.0555 0.0063 -0.0011 -0.0260 928 GLU A OE1 \n1811 O OE2 . GLU A 236 ? 0.6572 0.8261 0.9083 0.0027 -0.0111 -0.0218 928 GLU A OE2 \n1812 N N . LYS A 237 ? 0.3971 0.5260 0.6309 0.0110 -0.0376 -0.0195 929 LYS A N \n1813 C CA . LYS A 237 ? 0.4089 0.5329 0.6464 0.0130 -0.0457 -0.0192 929 LYS A CA \n1814 C C . LYS A 237 ? 0.4814 0.5910 0.7058 0.0144 -0.0490 -0.0189 929 LYS A C \n1815 O O . LYS A 237 ? 0.4509 0.5543 0.6760 0.0162 -0.0559 -0.0187 929 LYS A O \n1816 C CB . LYS A 237 ? 0.5132 0.6365 0.7531 0.0092 -0.0513 -0.0163 929 LYS A CB \n1817 C CG . LYS A 237 ? 0.3792 0.5176 0.6348 0.0076 -0.0496 -0.0164 929 LYS A CG \n1818 C CD . LYS A 237 ? 0.7216 0.8580 0.9785 0.0033 -0.0558 -0.0131 929 LYS A CD \n1819 C CE . LYS A 237 ? 0.8811 1.0133 1.1438 0.0052 -0.0653 -0.0126 929 LYS A CE \n1820 N NZ . LYS A 237 ? 0.8529 0.9825 1.1168 0.0007 -0.0722 -0.0093 929 LYS A NZ \n1821 N N . GLY A 238 ? 0.3690 0.4731 0.5814 0.0135 -0.0443 -0.0187 930 GLY A N \n1822 C CA . GLY A 238 ? 0.4023 0.4936 0.6022 0.0142 -0.0462 -0.0182 930 GLY A CA \n1823 C C . GLY A 238 ? 0.4049 0.4849 0.5916 0.0107 -0.0484 -0.0151 930 GLY A C \n1824 O O . GLY A 238 ? 0.4413 0.5104 0.6172 0.0108 -0.0499 -0.0144 930 GLY A O \n1825 N N . GLU A 239 ? 0.3176 0.3997 0.5045 0.0074 -0.0486 -0.0133 931 GLU A N \n1826 C CA . GLU A 239 ? 0.3345 0.4052 0.5084 0.0043 -0.0509 -0.0106 931 GLU A CA \n1827 C C . GLU A 239 ? 0.2811 0.3485 0.4443 0.0032 -0.0447 -0.0103 931 GLU A C \n1828 O O . GLU A 239 ? 0.2834 0.3590 0.4505 0.0033 -0.0390 -0.0114 931 GLU A O \n1829 C CB . GLU A 239 ? 0.3812 0.4543 0.5582 0.0011 -0.0537 -0.0088 931 GLU A CB \n1830 C CG . GLU A 239 ? 0.5529 0.6132 0.7156 -0.0018 -0.0564 -0.0062 931 GLU A CG \n1831 C CD . GLU A 239 ? 0.7991 0.8607 0.9648 -0.0051 -0.0605 -0.0043 931 GLU A CD \n1832 O OE1 . GLU A 239 ? 0.5916 0.6628 0.7715 -0.0050 -0.0632 -0.0047 931 GLU A OE1 \n1833 O OE2 . GLU A 239 ? 0.6145 0.6674 0.7686 -0.0078 -0.0609 -0.0024 931 GLU A OE2 \n1834 N N . ARG A 240 ? 0.3370 0.3922 0.4871 0.0023 -0.0458 -0.0088 932 ARG A N \n1835 C CA . ARG A 240 ? 0.2919 0.3436 0.4323 0.0017 -0.0401 -0.0085 932 ARG A CA \n1836 C C . ARG A 240 ? 0.3610 0.4019 0.4887 -0.0006 -0.0412 -0.0063 932 ARG A C \n1837 O O . ARG A 240 ? 0.3586 0.3928 0.4831 -0.0017 -0.0468 -0.0050 932 ARG A O \n1838 C CB . ARG A 240 ? 0.2782 0.3264 0.4157 0.0038 -0.0389 -0.0094 932 ARG A CB \n1839 C CG . ARG A 240 ? 0.2771 0.3344 0.4244 0.0064 -0.0365 -0.0119 932 ARG A CG \n1840 C CD . ARG A 240 ? 0.2802 0.3471 0.4322 0.0060 -0.0307 -0.0128 932 ARG A CD \n1841 N NE . ARG A 240 ? 0.2848 0.3588 0.4443 0.0085 -0.0284 -0.0153 932 ARG A NE \n1842 C CZ . ARG A 240 ? 0.4712 0.5539 0.6418 0.0102 -0.0289 -0.0170 932 ARG A CZ \n1843 N NH1 . ARG A 240 ? 0.3682 0.4558 0.5437 0.0128 -0.0263 -0.0194 932 ARG A NH1 \n1844 N NH2 . ARG A 240 ? 0.2781 0.3644 0.4549 0.0092 -0.0320 -0.0164 932 ARG A NH2 \n1845 N N . LEU A 241 ? 0.3078 0.3466 0.4280 -0.0012 -0.0361 -0.0059 933 LEU A N \n1846 C CA . LEU A 241 ? 0.2899 0.3176 0.3970 -0.0027 -0.0364 -0.0041 933 LEU A CA \n1847 C C . LEU A 241 ? 0.3058 0.3227 0.4047 -0.0023 -0.0394 -0.0034 933 LEU A C \n1848 O O . LEU A 241 ? 0.3728 0.3908 0.4740 -0.0009 -0.0387 -0.0043 933 LEU A O \n1849 C CB . LEU A 241 ? 0.3298 0.3583 0.4320 -0.0027 -0.0300 -0.0042 933 LEU A CB \n1850 C CG . LEU A 241 ? 0.3165 0.3533 0.4242 -0.0035 -0.0275 -0.0046 933 LEU A CG \n1851 C CD1 . LEU A 241 ? 0.2743 0.3138 0.3803 -0.0028 -0.0215 -0.0051 933 LEU A CD1 \n1852 C CD2 . LEU A 241 ? 0.2660 0.2977 0.3685 -0.0057 -0.0305 -0.0031 933 LEU A CD2 \n1853 N N . PRO A 242 ? 0.3400 0.3455 0.4284 -0.0038 -0.0431 -0.0019 934 PRO A N \n1854 C CA . PRO A 242 ? 0.3738 0.3673 0.4527 -0.0040 -0.0467 -0.0010 934 PRO A CA \n1855 C C . PRO A 242 ? 0.3860 0.3737 0.4550 -0.0038 -0.0414 -0.0007 934 PRO A C \n1856 O O . PRO A 242 ? 0.3631 0.3536 0.4301 -0.0037 -0.0355 -0.0008 934 PRO A O \n1857 C CB . PRO A 242 ? 0.4855 0.4687 0.5552 -0.0060 -0.0515 0.0005 934 PRO A CB \n1858 C CG . PRO A 242 ? 0.4641 0.4511 0.5333 -0.0067 -0.0477 0.0006 934 PRO A CG \n1859 C CD . PRO A 242 ? 0.4178 0.4205 0.5020 -0.0057 -0.0444 -0.0008 934 PRO A CD \n1860 N N . GLN A 243 ? 0.3725 0.3520 0.4355 -0.0039 -0.0438 -0.0002 935 GLN A N \n1861 C CA . GLN A 243 ? 0.3597 0.3326 0.4125 -0.0044 -0.0391 0.0004 935 GLN A CA \n1862 C C . GLN A 243 ? 0.4123 0.3765 0.4521 -0.0055 -0.0361 0.0014 935 GLN A C \n1863 O O . GLN A 243 ? 0.4729 0.4268 0.5038 -0.0067 -0.0406 0.0024 935 GLN A O \n1864 C CB . GLN A 243 ? 0.4106 0.3739 0.4573 -0.0050 -0.0433 0.0010 935 GLN A CB \n1865 C CG . GLN A 243 ? 0.4792 0.4350 0.5146 -0.0062 -0.0384 0.0021 935 GLN A CG \n1866 C CD . GLN A 243 ? 0.5311 0.4771 0.5601 -0.0073 -0.0429 0.0029 935 GLN A CD \n1867 O OE1 . GLN A 243 ? 0.4912 0.4363 0.5251 -0.0066 -0.0498 0.0024 935 GLN A OE1 \n1868 N NE2 . GLN A 243 ? 0.4526 0.3909 0.4705 -0.0090 -0.0389 0.0041 935 GLN A NE2 \n1869 N N . PRO A 244 ? 0.4594 0.4274 0.4979 -0.0050 -0.0287 0.0012 936 PRO A N \n1870 C CA . PRO A 244 ? 0.5057 0.4650 0.5315 -0.0055 -0.0253 0.0020 936 PRO A CA \n1871 C C . PRO A 244 ? 0.4791 0.4243 0.4903 -0.0069 -0.0259 0.0032 936 PRO A C \n1872 O O . PRO A 244 ? 0.4662 0.4112 0.4781 -0.0074 -0.0254 0.0035 936 PRO A O \n1873 C CB . PRO A 244 ? 0.4335 0.4017 0.4640 -0.0042 -0.0175 0.0013 936 PRO A CB \n1874 C CG . PRO A 244 ? 0.4068 0.3886 0.4528 -0.0033 -0.0181 0.0001 936 PRO A CG \n1875 C CD . PRO A 244 ? 0.4467 0.4272 0.4960 -0.0038 -0.0236 0.0002 936 PRO A CD \n1876 N N . PRO A 245 ? 0.5087 0.4411 0.5060 -0.0077 -0.0275 0.0040 937 PRO A N \n1877 C CA . PRO A 245 ? 0.5432 0.4601 0.5243 -0.0094 -0.0283 0.0052 937 PRO A CA \n1878 C C . PRO A 245 ? 0.5480 0.4646 0.5246 -0.0098 -0.0208 0.0056 937 PRO A C \n1879 O O . PRO A 245 ? 0.5174 0.4251 0.4857 -0.0116 -0.0221 0.0066 937 PRO A O \n1880 C CB . PRO A 245 ? 0.6300 0.5356 0.5977 -0.0096 -0.0290 0.0056 937 PRO A CB \n1881 C CG . PRO A 245 ? 0.6278 0.5407 0.6057 -0.0090 -0.0335 0.0050 937 PRO A CG \n1882 C CD . PRO A 245 ? 0.5241 0.4550 0.5202 -0.0076 -0.0303 0.0038 937 PRO A CD \n1883 N N . ILE A 246 ? 0.4624 0.3885 0.4447 -0.0082 -0.0132 0.0048 938 ILE A N \n1884 C CA . ILE A 246 ? 0.5111 0.4384 0.4909 -0.0087 -0.0057 0.0053 938 ILE A CA \n1885 C C . ILE A 246 ? 0.4991 0.4352 0.4899 -0.0094 -0.0059 0.0055 938 ILE A C \n1886 O O . ILE A 246 ? 0.5462 0.4816 0.5341 -0.0108 -0.0012 0.0064 938 ILE A O \n1887 C CB . ILE A 246 ? 0.4503 0.3843 0.4324 -0.0066 0.0023 0.0045 938 ILE A CB \n1888 C CG1 . ILE A 246 ? 0.4676 0.4175 0.4670 -0.0048 0.0028 0.0033 938 ILE A CG1 \n1889 C CG2 . ILE A 246 ? 0.4951 0.4185 0.4642 -0.0056 0.0030 0.0042 938 ILE A CG2 \n1890 C CD1 . ILE A 246 ? 0.4473 0.4052 0.4513 -0.0028 0.0106 0.0027 938 ILE A CD1 \n1891 N N . CYS A 247 ? 0.4487 0.3927 0.4517 -0.0087 -0.0111 0.0047 939 CYS A N \n1892 C CA . CYS A 247 ? 0.4063 0.3590 0.4199 -0.0088 -0.0109 0.0046 939 CYS A CA \n1893 C C . CYS A 247 ? 0.4783 0.4225 0.4869 -0.0106 -0.0163 0.0055 939 CYS A C \n1894 O O . CYS A 247 ? 0.4223 0.3602 0.4285 -0.0107 -0.0235 0.0054 939 CYS A O \n1895 C CB . CYS A 247 ? 0.4085 0.3738 0.4375 -0.0069 -0.0134 0.0030 939 CYS A CB \n1896 S SG . CYS A 247 ? 0.4672 0.4438 0.5041 -0.0049 -0.0079 0.0019 939 CYS A SG \n1897 N N . THR A 248 ? 0.4268 0.3711 0.4347 -0.0122 -0.0135 0.0064 940 THR A N \n1898 C CA . THR A 248 ? 0.4738 0.4124 0.4804 -0.0135 -0.0195 0.0069 940 THR A CA \n1899 C C . THR A 248 ? 0.4529 0.4015 0.4741 -0.0112 -0.0242 0.0052 940 THR A C \n1900 O O . THR A 248 ? 0.4292 0.3897 0.4614 -0.0092 -0.0214 0.0039 940 THR A O \n1901 C CB . THR A 248 ? 0.4720 0.4094 0.4756 -0.0160 -0.0157 0.0083 940 THR A CB \n1902 O OG1 . THR A 248 ? 0.5134 0.4647 0.5296 -0.0150 -0.0107 0.0077 940 THR A OG1 \n1903 C CG2 . THR A 248 ? 0.5448 0.4722 0.5334 -0.0186 -0.0103 0.0101 940 THR A CG2 \n1904 N N . ILE A 249 ? 0.4422 0.3856 0.4634 -0.0113 -0.0311 0.0051 941 ILE A N \n1905 C CA . ILE A 249 ? 0.4685 0.4208 0.5033 -0.0088 -0.0354 0.0033 941 ILE A CA \n1906 C C . ILE A 249 ? 0.3739 0.3375 0.4188 -0.0080 -0.0310 0.0025 941 ILE A C \n1907 O O . ILE A 249 ? 0.4088 0.3826 0.4655 -0.0055 -0.0315 0.0006 941 ILE A O \n1908 C CB . ILE A 249 ? 0.5309 0.4744 0.5633 -0.0086 -0.0441 0.0032 941 ILE A CB \n1909 C CG1 . ILE A 249 ? 0.5203 0.4730 0.5671 -0.0052 -0.0487 0.0009 941 ILE A CG1 \n1910 C CG2 . ILE A 249 ? 0.4799 0.4164 0.5060 -0.0108 -0.0446 0.0044 941 ILE A CG2 \n1911 C CD1 . ILE A 249 ? 0.5661 0.5217 0.6170 -0.0039 -0.0513 0.0002 941 ILE A CD1 \n1912 N N . ASP A 250 ? 0.4504 0.4121 0.4907 -0.0103 -0.0267 0.0039 942 ASP A N \n1913 C CA . ASP A 250 ? 0.4483 0.4198 0.4973 -0.0101 -0.0227 0.0036 942 ASP A CA \n1914 C C . ASP A 250 ? 0.4059 0.3893 0.4639 -0.0082 -0.0180 0.0024 942 ASP A C \n1915 O O . ASP A 250 ? 0.3842 0.3769 0.4524 -0.0066 -0.0176 0.0010 942 ASP A O \n1916 C CB . ASP A 250 ? 0.4351 0.4026 0.4771 -0.0135 -0.0182 0.0058 942 ASP A CB \n1917 C CG . ASP A 250 ? 0.7314 0.6852 0.7615 -0.0162 -0.0222 0.0075 942 ASP A CG \n1918 O OD1 . ASP A 250 ? 0.7083 0.6600 0.7396 -0.0171 -0.0256 0.0077 942 ASP A OD1 \n1919 O OD2 . ASP A 250 ? 0.7888 0.7329 0.8076 -0.0175 -0.0225 0.0085 942 ASP A OD2 \n1920 N N . VAL A 251 ? 0.3904 0.3725 0.4435 -0.0084 -0.0145 0.0029 943 VAL A N \n1921 C CA . VAL A 251 ? 0.4005 0.3923 0.4606 -0.0067 -0.0103 0.0019 943 VAL A CA \n1922 C C . VAL A 251 ? 0.3956 0.3920 0.4626 -0.0045 -0.0144 0.0001 943 VAL A C \n1923 O O . VAL A 251 ? 0.3553 0.3615 0.4318 -0.0030 -0.0130 -0.0011 943 VAL A O \n1924 C CB . VAL A 251 ? 0.4723 0.4608 0.5246 -0.0073 -0.0053 0.0028 943 VAL A CB \n1925 C CG1 . VAL A 251 ? 0.4211 0.4182 0.4801 -0.0053 -0.0025 0.0017 943 VAL A CG1 \n1926 C CG2 . VAL A 251 ? 0.4546 0.4418 0.5030 -0.0094 0.0000 0.0045 943 VAL A CG2 \n1927 N N . TYR A 252 ? 0.3898 0.3791 0.4520 -0.0044 -0.0194 0.0001 944 TYR A N \n1928 C CA . TYR A 252 ? 0.3769 0.3711 0.4468 -0.0026 -0.0235 -0.0013 944 TYR A CA \n1929 C C . TYR A 252 ? 0.3481 0.3498 0.4287 -0.0009 -0.0257 -0.0030 944 TYR A C \n1930 O O . TYR A 252 ? 0.3501 0.3607 0.4398 0.0006 -0.0255 -0.0045 944 TYR A O \n1931 C CB . TYR A 252 ? 0.3798 0.3645 0.4429 -0.0031 -0.0292 -0.0007 944 TYR A CB \n1932 C CG . TYR A 252 ? 0.3995 0.3896 0.4709 -0.0017 -0.0333 -0.0019 944 TYR A CG \n1933 C CD1 . TYR A 252 ? 0.4645 0.4512 0.5382 -0.0011 -0.0404 -0.0023 944 TYR A CD1 \n1934 C CD2 . TYR A 252 ? 0.3556 0.3542 0.4328 -0.0011 -0.0303 -0.0026 944 TYR A CD2 \n1935 C CE1 . TYR A 252 ? 0.4129 0.4057 0.4955 0.0000 -0.0440 -0.0033 944 TYR A CE1 \n1936 C CE2 . TYR A 252 ? 0.3535 0.3574 0.4384 -0.0004 -0.0338 -0.0035 944 TYR A CE2 \n1937 C CZ . TYR A 252 ? 0.3918 0.3934 0.4799 0.0000 -0.0404 -0.0038 944 TYR A CZ \n1938 O OH . TYR A 252 ? 0.3729 0.3809 0.4701 0.0006 -0.0436 -0.0045 944 TYR A OH \n1939 N N . MET A 253 ? 0.3341 0.3315 0.4130 -0.0013 -0.0277 -0.0027 945 MET A N \n1940 C CA . MET A 253 ? 0.3745 0.3777 0.4624 0.0005 -0.0298 -0.0045 945 MET A CA \n1941 C C . MET A 253 ? 0.4277 0.4414 0.5232 0.0013 -0.0248 -0.0055 945 MET A C \n1942 O O . MET A 253 ? 0.3191 0.3397 0.4229 0.0034 -0.0257 -0.0074 945 MET A O \n1943 C CB . MET A 253 ? 0.4580 0.4539 0.5413 -0.0002 -0.0324 -0.0038 945 MET A CB \n1944 C CG . MET A 253 ? 0.6840 0.6707 0.7634 0.0001 -0.0396 -0.0038 945 MET A CG \n1945 S SD . MET A 253 ? 0.8264 0.8198 0.9181 0.0042 -0.0448 -0.0067 945 MET A SD \n1946 C CE . MET A 253 ? 0.3997 0.3933 0.4910 0.0038 -0.0461 -0.0062 945 MET A CE \n1947 N N . ILE A 254 ? 0.3490 0.3635 0.4413 -0.0003 -0.0197 -0.0041 946 ILE A N \n1948 C CA . ILE A 254 ? 0.3593 0.3830 0.4583 0.0002 -0.0157 -0.0049 946 ILE A CA \n1949 C C . ILE A 254 ? 0.2666 0.2970 0.3711 0.0016 -0.0151 -0.0063 946 ILE A C \n1950 O O . ILE A 254 ? 0.2907 0.3281 0.4023 0.0029 -0.0146 -0.0079 946 ILE A O \n1951 C CB . ILE A 254 ? 0.4030 0.4269 0.4986 -0.0015 -0.0104 -0.0032 946 ILE A CB \n1952 C CG1 . ILE A 254 ? 0.4918 0.5097 0.5824 -0.0036 -0.0105 -0.0015 946 ILE A CG1 \n1953 C CG2 . ILE A 254 ? 0.4208 0.4537 0.5237 -0.0009 -0.0071 -0.0039 946 ILE A CG2 \n1954 C CD1 . ILE A 254 ? 0.4936 0.5123 0.5817 -0.0055 -0.0050 0.0002 946 ILE A CD1 \n1955 N N . MET A 255 ? 0.2721 0.2998 0.3724 0.0011 -0.0150 -0.0055 947 MET A N \n1956 C CA . MET A 255 ? 0.3375 0.3705 0.4419 0.0018 -0.0148 -0.0064 947 MET A CA \n1957 C C . MET A 255 ? 0.3105 0.3476 0.4224 0.0034 -0.0187 -0.0082 947 MET A C \n1958 O O . MET A 255 ? 0.3151 0.3602 0.4341 0.0042 -0.0174 -0.0095 947 MET A O \n1959 C CB . MET A 255 ? 0.3529 0.3795 0.4500 0.0009 -0.0158 -0.0052 947 MET A CB \n1960 C CG . MET A 255 ? 0.4305 0.4561 0.5225 0.0002 -0.0111 -0.0042 947 MET A CG \n1961 S SD . MET A 255 ? 0.4945 0.5092 0.5749 -0.0007 -0.0128 -0.0029 947 MET A SD \n1962 C CE . MET A 255 ? 0.4628 0.4691 0.5341 -0.0018 -0.0106 -0.0014 947 MET A CE \n1963 N N . VAL A 256 ? 0.3054 0.3368 0.4157 0.0038 -0.0232 -0.0081 948 VAL A N \n1964 C CA . VAL A 256 ? 0.3051 0.3404 0.4234 0.0058 -0.0272 -0.0099 948 VAL A CA \n1965 C C . VAL A 256 ? 0.2706 0.3128 0.3961 0.0076 -0.0255 -0.0119 948 VAL A C \n1966 O O . VAL A 256 ? 0.2795 0.3292 0.4130 0.0091 -0.0254 -0.0137 948 VAL A O \n1967 C CB . VAL A 256 ? 0.3994 0.4260 0.5141 0.0061 -0.0333 -0.0095 948 VAL A CB \n1968 C CG1 . VAL A 256 ? 0.3537 0.3849 0.4780 0.0089 -0.0372 -0.0116 948 VAL A CG1 \n1969 C CG2 . VAL A 256 ? 0.3693 0.3897 0.4779 0.0045 -0.0357 -0.0078 948 VAL A CG2 \n1970 N N . LYS A 257 ? 0.2985 0.3381 0.4208 0.0072 -0.0240 -0.0116 949 LYS A N \n1971 C CA . LYS A 257 ? 0.2857 0.3302 0.4128 0.0086 -0.0223 -0.0132 949 LYS A CA \n1972 C C . LYS A 257 ? 0.2561 0.3089 0.3874 0.0085 -0.0179 -0.0140 949 LYS A C \n1973 O O . LYS A 257 ? 0.2417 0.2999 0.3785 0.0102 -0.0172 -0.0160 949 LYS A O \n1974 C CB . LYS A 257 ? 0.3346 0.3740 0.4567 0.0074 -0.0217 -0.0121 949 LYS A CB \n1975 C CG . LYS A 257 ? 0.5919 0.6226 0.7095 0.0075 -0.0263 -0.0116 949 LYS A CG \n1976 C CD . LYS A 257 ? 0.6076 0.6343 0.7210 0.0057 -0.0255 -0.0104 949 LYS A CD \n1977 C CE . LYS A 257 ? 1.0073 1.0237 1.1137 0.0046 -0.0296 -0.0091 949 LYS A CE \n1978 N NZ . LYS A 257 ? 1.1220 1.1348 1.2242 0.0021 -0.0284 -0.0074 949 LYS A NZ \n1979 N N . CYS A 258 ? 0.2615 0.3145 0.3894 0.0066 -0.0151 -0.0124 950 CYS A N \n1980 C CA . CYS A 258 ? 0.1891 0.2487 0.3199 0.0062 -0.0115 -0.0129 950 CYS A CA \n1981 C C . CYS A 258 ? 0.2333 0.2987 0.3699 0.0070 -0.0121 -0.0143 950 CYS A C \n1982 O O . CYS A 258 ? 0.2581 0.3292 0.3977 0.0068 -0.0095 -0.0151 950 CYS A O \n1983 C CB . CYS A 258 ? 0.1817 0.2394 0.3076 0.0044 -0.0092 -0.0110 950 CYS A CB \n1984 S SG . CYS A 258 ? 0.2879 0.3421 0.4095 0.0033 -0.0067 -0.0094 950 CYS A SG \n1985 N N . TRP A 259 ? 0.2685 0.3323 0.4065 0.0076 -0.0156 -0.0143 951 TRP A N \n1986 C CA . TRP A 259 ? 0.2500 0.3201 0.3947 0.0080 -0.0163 -0.0154 951 TRP A CA \n1987 C C . TRP A 259 ? 0.2550 0.3290 0.4074 0.0106 -0.0185 -0.0176 951 TRP A C \n1988 O O . TRP A 259 ? 0.2780 0.3568 0.4371 0.0111 -0.0200 -0.0183 951 TRP A O \n1989 C CB . TRP A 259 ? 0.3021 0.3690 0.4443 0.0064 -0.0189 -0.0137 951 TRP A CB \n1990 C CG . TRP A 259 ? 0.2727 0.3348 0.4067 0.0043 -0.0170 -0.0117 951 TRP A CG \n1991 C CD1 . TRP A 259 ? 0.2509 0.3154 0.3830 0.0034 -0.0129 -0.0114 951 TRP A CD1 \n1992 C CD2 . TRP A 259 ? 0.2855 0.3392 0.4118 0.0032 -0.0192 -0.0099 951 TRP A CD2 \n1993 N NE1 . TRP A 259 ? 0.2531 0.3118 0.3778 0.0021 -0.0125 -0.0097 951 TRP A NE1 \n1994 C CE2 . TRP A 259 ? 0.3042 0.3560 0.4247 0.0019 -0.0160 -0.0088 951 TRP A CE2 \n1995 C CE3 . TRP A 259 ? 0.2200 0.2668 0.3433 0.0032 -0.0239 -0.0092 951 TRP A CE3 \n1996 C CZ2 . TRP A 259 ? 0.3191 0.3625 0.4305 0.0009 -0.0166 -0.0072 951 TRP A CZ2 \n1997 C CZ3 . TRP A 259 ? 0.2888 0.3267 0.4024 0.0018 -0.0248 -0.0074 951 TRP A CZ3 \n1998 C CH2 . TRP A 259 ? 0.2702 0.3065 0.3777 0.0008 -0.0208 -0.0065 951 TRP A CH2 \n1999 N N . MET A 260 ? 0.2803 0.3524 0.4324 0.0124 -0.0186 -0.0188 952 MET A N \n2000 C CA . MET A 260 ? 0.3206 0.3962 0.4796 0.0156 -0.0199 -0.0215 952 MET A CA \n2001 C C . MET A 260 ? 0.3135 0.3985 0.4790 0.0163 -0.0160 -0.0234 952 MET A C \n2002 O O . MET A 260 ? 0.2052 0.2924 0.3682 0.0147 -0.0120 -0.0232 952 MET A O \n2003 C CB . MET A 260 ? 0.3027 0.3728 0.4581 0.0171 -0.0209 -0.0222 952 MET A CB \n2004 C CG . MET A 260 ? 0.3817 0.4426 0.5316 0.0166 -0.0254 -0.0206 952 MET A CG \n2005 S SD . MET A 260 ? 0.5691 0.6234 0.7152 0.0182 -0.0273 -0.0215 952 MET A SD \n2006 C CE . MET A 260 ? 0.5642 0.6158 0.7029 0.0147 -0.0235 -0.0192 952 MET A CE \n2007 N N . ILE A 261 ? 0.2444 0.3353 0.4187 0.0186 -0.0171 -0.0253 953 ILE A N \n2008 C CA . ILE A 261 ? 0.2464 0.3464 0.4268 0.0192 -0.0127 -0.0273 953 ILE A CA \n2009 C C . ILE A 261 ? 0.2375 0.3371 0.4148 0.0204 -0.0091 -0.0291 953 ILE A C \n2010 O O . ILE A 261 ? 0.2538 0.3575 0.4301 0.0190 -0.0046 -0.0296 953 ILE A O \n2011 C CB . ILE A 261 ? 0.2516 0.3585 0.4435 0.0220 -0.0145 -0.0293 953 ILE A CB \n2012 C CG1 . ILE A 261 ? 0.4279 0.5360 0.6233 0.0200 -0.0180 -0.0271 953 ILE A CG1 \n2013 C CG2 . ILE A 261 ? 0.3298 0.4464 0.5282 0.0231 -0.0092 -0.0317 953 ILE A CG2 \n2014 C CD1 . ILE A 261 ? 0.4645 0.5735 0.6556 0.0155 -0.0158 -0.0247 953 ILE A CD1 \n2015 N N . ASP A 262 ? 0.2799 0.3733 0.4543 0.0228 -0.0116 -0.0301 954 ASP A N \n2016 C CA . ASP A 262 ? 0.2390 0.3298 0.4090 0.0239 -0.0094 -0.0316 954 ASP A CA \n2017 C C . ASP A 262 ? 0.2746 0.3605 0.4362 0.0205 -0.0083 -0.0292 954 ASP A C \n2018 O O . ASP A 262 ? 0.2880 0.3672 0.4450 0.0196 -0.0111 -0.0274 954 ASP A O \n2019 C CB . ASP A 262 ? 0.2858 0.3706 0.4551 0.0273 -0.0132 -0.0332 954 ASP A CB \n2020 C CG . ASP A 262 ? 0.4764 0.5571 0.6404 0.0284 -0.0118 -0.0348 954 ASP A CG \n2021 O OD1 . ASP A 262 ? 0.4484 0.5227 0.6102 0.0308 -0.0153 -0.0358 954 ASP A OD1 \n2022 O OD2 . ASP A 262 ? 0.5374 0.6203 0.6986 0.0268 -0.0077 -0.0349 954 ASP A OD2 \n2023 N N . ALA A 263 ? 0.2199 0.3094 0.3801 0.0186 -0.0042 -0.0291 955 ALA A N \n2024 C CA . ALA A 263 ? 0.2677 0.3534 0.4211 0.0155 -0.0033 -0.0268 955 ALA A CA \n2025 C C . ALA A 263 ? 0.2579 0.3369 0.4063 0.0158 -0.0049 -0.0266 955 ALA A C \n2026 O O . ALA A 263 ? 0.2919 0.3671 0.4362 0.0136 -0.0056 -0.0242 955 ALA A O \n2027 C CB . ALA A 263 ? 0.2795 0.3694 0.4320 0.0137 0.0007 -0.0271 955 ALA A CB \n2028 N N . ASP A 264 ? 0.2626 0.3402 0.4112 0.0185 -0.0052 -0.0292 956 ASP A N \n2029 C CA . ASP A 264 ? 0.3762 0.4467 0.5199 0.0189 -0.0074 -0.0292 956 ASP A CA \n2030 C C . ASP A 264 ? 0.4501 0.5148 0.5924 0.0187 -0.0116 -0.0275 956 ASP A C \n2031 O O . ASP A 264 ? 0.4075 0.4664 0.5452 0.0174 -0.0134 -0.0261 956 ASP A O \n2032 C CB . ASP A 264 ? 0.3350 0.4043 0.4784 0.0223 -0.0071 -0.0326 956 ASP A CB \n2033 C CG . ASP A 264 ? 0.3851 0.4571 0.5264 0.0217 -0.0030 -0.0340 956 ASP A CG \n2034 O OD1 . ASP A 264 ? 0.3800 0.4508 0.5174 0.0186 -0.0021 -0.0321 956 ASP A OD1 \n2035 O OD2 . ASP A 264 ? 0.3627 0.4378 0.5062 0.0245 -0.0007 -0.0371 956 ASP A OD2 \n2036 N N . SER A 265 ? 0.2736 0.3397 0.4196 0.0198 -0.0134 -0.0274 957 SER A N \n2037 C CA . SER A 265 ? 0.3603 0.4200 0.5038 0.0193 -0.0175 -0.0256 957 SER A CA \n2038 C C . SER A 265 ? 0.3157 0.3738 0.4558 0.0157 -0.0170 -0.0223 957 SER A C \n2039 O O . SER A 265 ? 0.3095 0.3614 0.4457 0.0146 -0.0197 -0.0205 957 SER A O \n2040 C CB . SER A 265 ? 0.4242 0.4844 0.5724 0.0222 -0.0206 -0.0271 957 SER A CB \n2041 O OG . SER A 265 ? 0.5549 0.6137 0.7048 0.0260 -0.0221 -0.0302 957 SER A OG \n2042 N N . ARG A 266 ? 0.2434 0.3067 0.3846 0.0140 -0.0135 -0.0214 958 ARG A N \n2043 C CA . ARG A 266 ? 0.2160 0.2783 0.3543 0.0113 -0.0126 -0.0187 958 ARG A CA \n2044 C C . ARG A 266 ? 0.2676 0.3259 0.4016 0.0094 -0.0122 -0.0170 958 ARG A C \n2045 O O . ARG A 266 ? 0.3145 0.3727 0.4485 0.0098 -0.0120 -0.0180 958 ARG A O \n2046 C CB . ARG A 266 ? 0.2130 0.2811 0.3528 0.0101 -0.0092 -0.0185 958 ARG A CB \n2047 C CG . ARG A 266 ? 0.2621 0.3349 0.4066 0.0111 -0.0094 -0.0196 958 ARG A CG \n2048 C CD . ARG A 266 ? 0.1952 0.2733 0.3407 0.0096 -0.0062 -0.0194 958 ARG A CD \n2049 N NE . ARG A 266 ? 0.2241 0.3079 0.3757 0.0107 -0.0063 -0.0210 958 ARG A NE \n2050 C CZ . ARG A 266 ? 0.2250 0.3146 0.3791 0.0100 -0.0034 -0.0218 958 ARG A CZ \n2051 N NH1 . ARG A 266 ? 0.2396 0.3349 0.4001 0.0109 -0.0033 -0.0232 958 ARG A NH1 \n2052 N NH2 . ARG A 266 ? 0.2306 0.3203 0.3809 0.0082 -0.0007 -0.0212 958 ARG A NH2 \n2053 N N . PRO A 267 ? 0.2599 0.3150 0.3904 0.0072 -0.0119 -0.0144 959 PRO A N \n2054 C CA . PRO A 267 ? 0.3095 0.3622 0.4373 0.0050 -0.0110 -0.0125 959 PRO A CA \n2055 C C . PRO A 267 ? 0.3162 0.3736 0.4461 0.0044 -0.0083 -0.0126 959 PRO A C \n2056 O O . PRO A 267 ? 0.3135 0.3754 0.4453 0.0050 -0.0065 -0.0135 959 PRO A O \n2057 C CB . PRO A 267 ? 0.2857 0.3361 0.4101 0.0032 -0.0098 -0.0101 959 PRO A CB \n2058 C CG . PRO A 267 ? 0.3652 0.4136 0.4887 0.0044 -0.0119 -0.0108 959 PRO A CG \n2059 C CD . PRO A 267 ? 0.2628 0.3169 0.3916 0.0065 -0.0120 -0.0132 959 PRO A CD \n2060 N N . LYS A 268 ? 0.3090 0.3651 0.4384 0.0029 -0.0083 -0.0114 960 LYS A N \n2061 C CA . LYS A 268 ? 0.3243 0.3840 0.4554 0.0019 -0.0063 -0.0110 960 LYS A CA \n2062 C C . LYS A 268 ? 0.3373 0.3984 0.4687 0.0001 -0.0040 -0.0085 960 LYS A C \n2063 O O . LYS A 268 ? 0.2986 0.3569 0.4281 -0.0009 -0.0039 -0.0069 960 LYS A O \n2064 C CB . LYS A 268 ? 0.3460 0.4037 0.4770 0.0013 -0.0082 -0.0112 960 LYS A CB \n2065 C CG . LYS A 268 ? 0.3999 0.4549 0.5296 0.0035 -0.0104 -0.0138 960 LYS A CG \n2066 C CD . LYS A 268 ? 0.4113 0.4702 0.5422 0.0052 -0.0087 -0.0162 960 LYS A CD \n2067 C CE . LYS A 268 ? 0.5469 0.6043 0.6777 0.0081 -0.0101 -0.0190 960 LYS A CE \n2068 N NZ . LYS A 268 ? 0.6675 0.7196 0.7954 0.0087 -0.0127 -0.0200 960 LYS A NZ \n2069 N N . PHE A 269 ? 0.2494 0.3142 0.3827 -0.0001 -0.0022 -0.0083 961 PHE A N \n2070 C CA . PHE A 269 ? 0.2747 0.3411 0.4089 -0.0010 0.0001 -0.0063 961 PHE A CA \n2071 C C . PHE A 269 ? 0.2178 0.2830 0.3531 -0.0030 0.0000 -0.0042 961 PHE A C \n2072 O O . PHE A 269 ? 0.2735 0.3384 0.4082 -0.0038 0.0020 -0.0026 961 PHE A O \n2073 C CB . PHE A 269 ? 0.3546 0.4246 0.4908 -0.0008 0.0013 -0.0065 961 PHE A CB \n2074 C CG . PHE A 269 ? 0.2468 0.3177 0.3813 0.0003 0.0022 -0.0077 961 PHE A CG \n2075 C CD1 . PHE A 269 ? 0.2357 0.3056 0.3680 0.0006 0.0035 -0.0072 961 PHE A CD1 \n2076 C CD2 . PHE A 269 ? 0.2366 0.3090 0.3711 0.0006 0.0016 -0.0093 961 PHE A CD2 \n2077 C CE1 . PHE A 269 ? 0.2628 0.3330 0.3934 0.0013 0.0037 -0.0081 961 PHE A CE1 \n2078 C CE2 . PHE A 269 ? 0.2751 0.3487 0.4084 0.0011 0.0024 -0.0101 961 PHE A CE2 \n2079 C CZ . PHE A 269 ? 0.2538 0.3264 0.3854 0.0014 0.0032 -0.0095 961 PHE A CZ \n2080 N N . ARG A 270 ? 0.2391 0.3031 0.3755 -0.0038 -0.0024 -0.0043 962 ARG A N \n2081 C CA . ARG A 270 ? 0.3437 0.4070 0.4819 -0.0063 -0.0029 -0.0020 962 ARG A CA \n2082 C C . ARG A 270 ? 0.3871 0.4461 0.5214 -0.0071 -0.0030 -0.0010 962 ARG A C \n2083 O O . ARG A 270 ? 0.3710 0.4300 0.5056 -0.0092 -0.0011 0.0012 962 ARG A O \n2084 C CB . ARG A 270 ? 0.3955 0.4569 0.5343 -0.0072 -0.0064 -0.0023 962 ARG A CB \n2085 C CG . ARG A 270 ? 0.5484 0.6044 0.6829 -0.0060 -0.0095 -0.0042 962 ARG A CG \n2086 C CD . ARG A 270 ? 0.8560 0.9103 0.9896 -0.0052 -0.0120 -0.0061 962 ARG A CD \n2087 N NE . ARG A 270 ? 0.7125 0.7695 0.8458 -0.0029 -0.0105 -0.0084 962 ARG A NE \n2088 C CZ . ARG A 270 ? 0.7541 0.8091 0.8848 -0.0013 -0.0117 -0.0109 962 ARG A CZ \n2089 N NH1 . ARG A 270 ? 0.9286 0.9782 1.0565 -0.0012 -0.0148 -0.0117 962 ARG A NH1 \n2090 N NH2 . ARG A 270 ? 0.6233 0.6812 0.7538 0.0000 -0.0097 -0.0127 962 ARG A NH2 \n2091 N N . GLU A 271 ? 0.3289 0.3840 0.4593 -0.0055 -0.0050 -0.0029 963 GLU A N \n2092 C CA . GLU A 271 ? 0.3474 0.3970 0.4731 -0.0060 -0.0060 -0.0023 963 GLU A CA \n2093 C C . GLU A 271 ? 0.3406 0.3903 0.4640 -0.0062 -0.0028 -0.0012 963 GLU A C \n2094 O O . GLU A 271 ? 0.3190 0.3645 0.4385 -0.0079 -0.0024 0.0004 963 GLU A O \n2095 C CB . GLU A 271 ? 0.4203 0.4665 0.5439 -0.0036 -0.0094 -0.0048 963 GLU A CB \n2096 C CG . GLU A 271 ? 0.4469 0.4906 0.5707 -0.0033 -0.0128 -0.0059 963 GLU A CG \n2097 C CD . GLU A 271 ? 0.7105 0.7524 0.8336 0.0000 -0.0152 -0.0090 963 GLU A CD \n2098 O OE1 . GLU A 271 ? 0.6586 0.6971 0.7806 0.0006 -0.0181 -0.0102 963 GLU A OE1 \n2099 O OE2 . GLU A 271 ? 0.4681 0.5120 0.5919 0.0017 -0.0144 -0.0102 963 GLU A OE2 \n2100 N N . LEU A 272 ? 0.2611 0.3145 0.3858 -0.0044 -0.0008 -0.0023 964 LEU A N \n2101 C CA . LEU A 272 ? 0.2754 0.3278 0.3969 -0.0042 0.0017 -0.0016 964 LEU A CA \n2102 C C . LEU A 272 ? 0.2718 0.3264 0.3945 -0.0058 0.0057 0.0005 964 LEU A C \n2103 O O . LEU A 272 ? 0.3063 0.3577 0.4245 -0.0067 0.0079 0.0017 964 LEU A O \n2104 C CB . LEU A 272 ? 0.2685 0.3240 0.3911 -0.0021 0.0022 -0.0033 964 LEU A CB \n2105 C CG . LEU A 272 ? 0.3034 0.3578 0.4255 -0.0005 -0.0008 -0.0053 964 LEU A CG \n2106 C CD1 . LEU A 272 ? 0.3016 0.3607 0.4264 0.0006 0.0000 -0.0067 964 LEU A CD1 \n2107 C CD2 . LEU A 272 ? 0.2926 0.3414 0.4095 -0.0005 -0.0021 -0.0050 964 LEU A CD2 \n2108 N N . ILE A 273 ? 0.2961 0.3559 0.4248 -0.0063 0.0064 0.0009 965 ILE A N \n2109 C CA . ILE A 273 ? 0.2701 0.3332 0.4021 -0.0078 0.0100 0.0030 965 ILE A CA \n2110 C C . ILE A 273 ? 0.3250 0.3842 0.4538 -0.0106 0.0104 0.0051 965 ILE A C \n2111 O O . ILE A 273 ? 0.3911 0.4495 0.5175 -0.0116 0.0142 0.0065 965 ILE A O \n2112 C CB . ILE A 273 ? 0.2521 0.3210 0.3919 -0.0082 0.0093 0.0034 965 ILE A CB \n2113 C CG1 . ILE A 273 ? 0.2574 0.3297 0.3996 -0.0058 0.0092 0.0017 965 ILE A CG1 \n2114 C CG2 . ILE A 273 ? 0.2484 0.3215 0.3932 -0.0100 0.0128 0.0058 965 ILE A CG2 \n2115 C CD1 . ILE A 273 ? 0.3097 0.3854 0.4576 -0.0062 0.0069 0.0017 965 ILE A CD1 \n2116 N N . ILE A 274 ? 0.3145 0.3705 0.4426 -0.0120 0.0064 0.0051 966 ILE A N \n2117 C CA . ILE A 274 ? 0.3621 0.4132 0.4865 -0.0152 0.0060 0.0072 966 ILE A CA \n2118 C C . ILE A 274 ? 0.4114 0.4557 0.5270 -0.0153 0.0067 0.0074 966 ILE A C \n2119 O O . ILE A 274 ? 0.3448 0.3869 0.4570 -0.0177 0.0098 0.0094 966 ILE A O \n2120 C CB . ILE A 274 ? 0.4227 0.4703 0.5470 -0.0164 0.0007 0.0070 966 ILE A CB \n2121 C CG1 . ILE A 274 ? 0.3830 0.4364 0.5150 -0.0171 0.0000 0.0074 966 ILE A CG1 \n2122 C CG2 . ILE A 274 ? 0.4307 0.4716 0.5495 -0.0198 -0.0004 0.0091 966 ILE A CG2 \n2123 C CD1 . ILE A 274 ? 0.4417 0.4913 0.5731 -0.0174 -0.0053 0.0066 966 ILE A CD1 \n2124 N N . GLU A 275 ? 0.3273 0.3680 0.4393 -0.0128 0.0039 0.0052 967 GLU A N \n2125 C CA . GLU A 275 ? 0.3401 0.3732 0.4434 -0.0129 0.0034 0.0053 967 GLU A CA \n2126 C C . GLU A 275 ? 0.3016 0.3348 0.4016 -0.0127 0.0083 0.0061 967 GLU A C \n2127 O O . GLU A 275 ? 0.3567 0.3836 0.4491 -0.0147 0.0099 0.0076 967 GLU A O \n2128 C CB . GLU A 275 ? 0.3336 0.3639 0.4355 -0.0101 -0.0010 0.0029 967 GLU A CB \n2129 C CG . GLU A 275 ? 0.4927 0.5139 0.5857 -0.0106 -0.0032 0.0033 967 GLU A CG \n2130 C CD . GLU A 275 ? 0.8241 0.8413 0.9166 -0.0087 -0.0092 0.0014 967 GLU A CD \n2131 O OE1 . GLU A 275 ? 0.8806 0.9030 0.9795 -0.0065 -0.0108 -0.0005 967 GLU A OE1 \n2132 O OE2 . GLU A 275 ? 0.8694 0.8780 0.9547 -0.0094 -0.0123 0.0019 967 GLU A OE2 \n2133 N N . PHE A 276 ? 0.2700 0.3091 0.3742 -0.0104 0.0107 0.0050 968 PHE A N \n2134 C CA . PHE A 276 ? 0.2664 0.3049 0.3669 -0.0099 0.0153 0.0054 968 PHE A CA \n2135 C C . PHE A 276 ? 0.3036 0.3451 0.4061 -0.0119 0.0205 0.0075 968 PHE A C \n2136 O O . PHE A 276 ? 0.3829 0.4212 0.4795 -0.0122 0.0247 0.0084 968 PHE A O \n2137 C CB . PHE A 276 ? 0.3189 0.3618 0.4227 -0.0069 0.0161 0.0037 968 PHE A CB \n2138 C CG . PHE A 276 ? 0.2844 0.3229 0.3836 -0.0053 0.0126 0.0021 968 PHE A CG \n2139 C CD1 . PHE A 276 ? 0.3144 0.3456 0.4045 -0.0052 0.0132 0.0024 968 PHE A CD1 \n2140 C CD2 . PHE A 276 ? 0.3501 0.3917 0.4540 -0.0040 0.0088 0.0005 968 PHE A CD2 \n2141 C CE1 . PHE A 276 ? 0.4421 0.4694 0.5288 -0.0040 0.0093 0.0012 968 PHE A CE1 \n2142 C CE2 . PHE A 276 ? 0.3153 0.3538 0.4162 -0.0027 0.0056 -0.0007 968 PHE A CE2 \n2143 C CZ . PHE A 276 ? 0.3174 0.3490 0.4103 -0.0029 0.0056 -0.0003 968 PHE A CZ \n2144 N N . SER A 277 ? 0.3381 0.3857 0.4488 -0.0133 0.0203 0.0084 969 SER A N \n2145 C CA . SER A 277 ? 0.3733 0.4250 0.4876 -0.0157 0.0253 0.0108 969 SER A CA \n2146 C C . SER A 277 ? 0.3697 0.4144 0.4761 -0.0193 0.0264 0.0128 969 SER A C \n2147 O O . SER A 277 ? 0.3915 0.4365 0.4957 -0.0207 0.0321 0.0143 969 SER A O \n2148 C CB . SER A 277 ? 0.3443 0.4040 0.4698 -0.0168 0.0241 0.0116 969 SER A CB \n2149 O OG . SER A 277 ? 0.3519 0.4183 0.4845 -0.0138 0.0245 0.0102 969 SER A OG \n2150 N N . LYS A 278 ? 0.3604 0.3985 0.4622 -0.0208 0.0210 0.0129 970 LYS A N \n2151 C CA . LYS A 278 ? 0.4328 0.4619 0.5250 -0.0243 0.0206 0.0147 970 LYS A CA \n2152 C C . LYS A 278 ? 0.4602 0.4818 0.5413 -0.0236 0.0232 0.0144 970 LYS A C \n2153 O O . LYS A 278 ? 0.4030 0.4199 0.4771 -0.0265 0.0271 0.0164 970 LYS A O \n2154 C CB . LYS A 278 ? 0.5288 0.5517 0.6183 -0.0249 0.0133 0.0142 970 LYS A CB \n2155 C CG . LYS A 278 ? 0.6577 0.6711 0.7380 -0.0291 0.0118 0.0164 970 LYS A CG \n2156 C CD . LYS A 278 ? 0.8192 0.8235 0.8934 -0.0279 0.0044 0.0149 970 LYS A CD \n2157 C CE . LYS A 278 ? 0.7525 0.7510 0.8192 -0.0254 0.0040 0.0135 970 LYS A CE \n2158 N NZ . LYS A 278 ? 0.7039 0.7009 0.7722 -0.0218 -0.0022 0.0108 970 LYS A NZ \n2159 N N . MET A 279 ? 0.4010 0.4209 0.4801 -0.0200 0.0210 0.0121 971 MET A N \n2160 C CA . MET A 279 ? 0.4611 0.4732 0.5295 -0.0192 0.0227 0.0118 971 MET A CA \n2161 C C . MET A 279 ? 0.4331 0.4487 0.5012 -0.0187 0.0306 0.0124 971 MET A C \n2162 O O . MET A 279 ? 0.4468 0.4550 0.5043 -0.0200 0.0340 0.0133 971 MET A O \n2163 C CB . MET A 279 ? 0.3866 0.3970 0.4543 -0.0157 0.0181 0.0094 971 MET A CB \n2164 C CG . MET A 279 ? 0.4532 0.4578 0.5187 -0.0160 0.0108 0.0088 971 MET A CG \n2165 S SD . MET A 279 ? 0.5161 0.5209 0.5833 -0.0121 0.0059 0.0061 971 MET A SD \n2166 C CE . MET A 279 ? 0.4972 0.4971 0.5644 -0.0125 -0.0017 0.0055 971 MET A CE \n2167 N N . ALA A 280 ? 0.4161 0.4424 0.4952 -0.0166 0.0333 0.0117 972 ALA A N \n2168 C CA . ALA A 280 ? 0.4731 0.5039 0.5538 -0.0154 0.0406 0.0119 972 ALA A CA \n2169 C C . ALA A 280 ? 0.4662 0.4976 0.5458 -0.0190 0.0464 0.0145 972 ALA A C \n2170 O O . ALA A 280 ? 0.4924 0.5257 0.5709 -0.0182 0.0534 0.0147 972 ALA A O \n2171 C CB . ALA A 280 ? 0.4188 0.4609 0.5125 -0.0126 0.0413 0.0108 972 ALA A CB \n2172 N N . ARG A 281 ? 0.4550 0.4845 0.5346 -0.0229 0.0436 0.0163 973 ARG A N \n2173 C CA . ARG A 281 ? 0.5361 0.5657 0.6142 -0.0274 0.0485 0.0191 973 ARG A CA \n2174 C C . ARG A 281 ? 0.5684 0.5852 0.6300 -0.0296 0.0505 0.0200 973 ARG A C \n2175 O O . ARG A 281 ? 0.5683 0.5844 0.6262 -0.0328 0.0567 0.0220 973 ARG A O \n2176 C CB . ARG A 281 ? 0.5834 0.6152 0.6674 -0.0312 0.0442 0.0209 973 ARG A CB \n2177 C CG . ARG A 281 ? 0.7494 0.7946 0.8497 -0.0308 0.0451 0.0213 973 ARG A CG \n2178 C CD . ARG A 281 ? 0.8217 0.8681 0.9263 -0.0355 0.0419 0.0237 973 ARG A CD \n2179 N NE . ARG A 281 ? 0.8985 0.9407 1.0025 -0.0348 0.0333 0.0225 973 ARG A NE \n2180 C CZ . ARG A 281 ? 0.8865 0.9347 0.9996 -0.0320 0.0296 0.0208 973 ARG A CZ \n2181 N NH1 . ARG A 281 ? 0.7091 0.7675 0.8326 -0.0297 0.0329 0.0203 973 ARG A NH1 \n2182 N NH2 . ARG A 281 ? 0.7409 0.7844 0.8522 -0.0313 0.0225 0.0195 973 ARG A NH2 \n2183 N N . ASP A 282 ? 0.5413 0.5479 0.5928 -0.0281 0.0451 0.0185 974 ASP A N \n2184 C CA . ASP A 282 ? 0.4986 0.4912 0.5331 -0.0300 0.0455 0.0192 974 ASP A CA \n2185 C C . ASP A 282 ? 0.5427 0.5289 0.5706 -0.0260 0.0421 0.0167 974 ASP A C \n2186 O O . ASP A 282 ? 0.5649 0.5421 0.5858 -0.0262 0.0351 0.0163 974 ASP A O \n2187 C CB . ASP A 282 ? 0.6211 0.6053 0.6496 -0.0342 0.0396 0.0209 974 ASP A CB \n2188 C CG . ASP A 282 ? 0.6479 0.6162 0.6579 -0.0369 0.0392 0.0220 974 ASP A CG \n2189 O OD1 . ASP A 282 ? 0.6299 0.5939 0.6311 -0.0363 0.0451 0.0219 974 ASP A OD1 \n2190 O OD2 . ASP A 282 ? 0.7711 0.7303 0.7746 -0.0396 0.0327 0.0229 974 ASP A OD2 \n2191 N N . PRO A 283 ? 0.5975 0.5884 0.6279 -0.0223 0.0467 0.0152 975 PRO A N \n2192 C CA . PRO A 283 ? 0.4872 0.4746 0.5147 -0.0184 0.0426 0.0129 975 PRO A CA \n2193 C C . PRO A 283 ? 0.6284 0.6002 0.6390 -0.0192 0.0392 0.0128 975 PRO A C \n2194 O O . PRO A 283 ? 0.4577 0.4254 0.4667 -0.0175 0.0326 0.0115 975 PRO A O \n2195 C CB . PRO A 283 ? 0.5322 0.5263 0.5638 -0.0150 0.0493 0.0117 975 PRO A CB \n2196 C CG . PRO A 283 ? 0.5060 0.5031 0.5377 -0.0171 0.0577 0.0134 975 PRO A CG \n2197 C CD . PRO A 283 ? 0.4665 0.4661 0.5028 -0.0215 0.0557 0.0156 975 PRO A CD \n2198 N N . GLN A 284 ? 0.6003 0.5630 0.5983 -0.0221 0.0436 0.0144 976 GLN A N \n2199 C CA . GLN A 284 ? 0.5899 0.5363 0.5701 -0.0230 0.0407 0.0146 976 GLN A CA \n2200 C C . GLN A 284 ? 0.5987 0.5365 0.5742 -0.0256 0.0319 0.0154 976 GLN A C \n2201 O O . GLN A 284 ? 0.6224 0.5475 0.5858 -0.0257 0.0267 0.0152 976 GLN A O \n2202 C CB . GLN A 284 ? 0.6607 0.5995 0.6275 -0.0250 0.0490 0.0158 976 GLN A CB \n2203 C CG . GLN A 284 ? 0.7380 0.6836 0.7084 -0.0212 0.0570 0.0143 976 GLN A CG \n2204 C CD . GLN A 284 ? 0.8428 0.7826 0.8014 -0.0227 0.0666 0.0152 976 GLN A CD \n2205 O OE1 . GLN A 284 ? 0.9329 0.8835 0.9002 -0.0221 0.0749 0.0154 976 GLN A OE1 \n2206 N NE2 . GLN A 284 ? 0.6856 0.6084 0.6245 -0.0247 0.0655 0.0158 976 GLN A NE2 \n2207 N N . ARG A 285 ? 0.5647 0.5092 0.5499 -0.0275 0.0297 0.0163 977 ARG A N \n2208 C CA . ARG A 285 ? 0.6036 0.5423 0.5879 -0.0287 0.0204 0.0165 977 ARG A CA \n2209 C C . ARG A 285 ? 0.5732 0.5154 0.5651 -0.0247 0.0135 0.0141 977 ARG A C \n2210 O O . ARG A 285 ? 0.5693 0.5034 0.5568 -0.0247 0.0057 0.0138 977 ARG A O \n2211 C CB . ARG A 285 ? 0.5937 0.5391 0.5870 -0.0313 0.0199 0.0178 977 ARG A CB \n2212 C CG . ARG A 285 ? 0.6103 0.5465 0.5990 -0.0332 0.0111 0.0184 977 ARG A CG \n2213 C CD . ARG A 285 ? 0.7132 0.6555 0.7108 -0.0354 0.0098 0.0195 977 ARG A CD \n2214 N NE . ARG A 285 ? 0.7481 0.6854 0.7465 -0.0345 0.0001 0.0186 977 ARG A NE \n2215 C CZ . ARG A 285 ? 0.8402 0.7802 0.8451 -0.0354 -0.0037 0.0188 977 ARG A CZ \n2216 N NH1 . ARG A 285 ? 0.7654 0.7001 0.7704 -0.0338 -0.0123 0.0176 977 ARG A NH1 \n2217 N NH2 . ARG A 285 ? 0.6082 0.5561 0.6199 -0.0378 0.0007 0.0203 977 ARG A NH2 \n2218 N N . TYR A 286 ? 0.5958 0.5499 0.5992 -0.0214 0.0163 0.0125 978 TYR A N \n2219 C CA . TYR A 286 ? 0.5018 0.4615 0.5146 -0.0182 0.0104 0.0105 978 TYR A CA \n2220 C C . TYR A 286 ? 0.5153 0.4728 0.5249 -0.0154 0.0096 0.0090 978 TYR A C \n2221 O O . TYR A 286 ? 0.4182 0.3756 0.4310 -0.0137 0.0032 0.0078 978 TYR A O \n2222 C CB . TYR A 286 ? 0.4485 0.4229 0.4772 -0.0169 0.0121 0.0098 978 TYR A CB \n2223 C CG . TYR A 286 ? 0.4906 0.4660 0.5225 -0.0196 0.0107 0.0111 978 TYR A CG \n2224 C CD1 . TYR A 286 ? 0.5238 0.5031 0.5574 -0.0222 0.0167 0.0129 978 TYR A CD1 \n2225 C CD2 . TYR A 286 ? 0.4921 0.4644 0.5255 -0.0196 0.0032 0.0106 978 TYR A CD2 \n2226 C CE1 . TYR A 286 ? 0.5139 0.4935 0.5500 -0.0252 0.0149 0.0144 978 TYR A CE1 \n2227 C CE2 . TYR A 286 ? 0.5520 0.5238 0.5871 -0.0221 0.0014 0.0118 978 TYR A CE2 \n2228 C CZ . TYR A 286 ? 0.5952 0.5704 0.6313 -0.0251 0.0071 0.0138 978 TYR A CZ \n2229 O OH . TYR A 286 ? 0.5514 0.5257 0.5891 -0.0280 0.0049 0.0152 978 TYR A OH \n2230 N N . LEU A 287 ? 0.4198 0.3756 0.4232 -0.0149 0.0160 0.0092 979 LEU A N \n2231 C CA . LEU A 287 ? 0.4245 0.3752 0.4216 -0.0127 0.0152 0.0080 979 LEU A CA \n2232 C C . LEU A 287 ? 0.5012 0.4372 0.4802 -0.0143 0.0175 0.0091 979 LEU A C \n2233 O O . LEU A 287 ? 0.5495 0.4840 0.5232 -0.0160 0.0244 0.0102 979 LEU A O \n2234 C CB . LEU A 287 ? 0.4276 0.3890 0.4336 -0.0097 0.0202 0.0067 979 LEU A CB \n2235 C CG . LEU A 287 ? 0.4809 0.4562 0.5036 -0.0081 0.0183 0.0057 979 LEU A CG \n2236 C CD1 . LEU A 287 ? 0.4358 0.4197 0.4653 -0.0054 0.0233 0.0046 979 LEU A CD1 \n2237 C CD2 . LEU A 287 ? 0.3826 0.3574 0.4085 -0.0073 0.0104 0.0046 979 LEU A CD2 \n2238 N N . VAL A 288 ? 0.4829 0.4079 0.4522 -0.0141 0.0118 0.0087 980 VAL A N \n2239 C CA . VAL A 288 ? 0.5664 0.4750 0.5164 -0.0157 0.0126 0.0096 980 VAL A CA \n2240 C C . VAL A 288 ? 0.5580 0.4633 0.5021 -0.0131 0.0148 0.0084 980 VAL A C \n2241 O O . VAL A 288 ? 0.5629 0.4653 0.5068 -0.0119 0.0085 0.0076 980 VAL A O \n2242 C CB . VAL A 288 ? 0.5781 0.4738 0.5191 -0.0178 0.0032 0.0105 980 VAL A CB \n2243 C CG1 . VAL A 288 ? 0.6715 0.5488 0.5908 -0.0201 0.0042 0.0116 980 VAL A CG1 \n2244 C CG2 . VAL A 288 ? 0.6096 0.5087 0.5575 -0.0199 0.0000 0.0114 980 VAL A CG2 \n2245 N N . ILE A 289 ? 0.5355 0.4412 0.4750 -0.0122 0.0238 0.0082 981 ILE A N \n2246 C CA . ILE A 289 ? 0.5792 0.4820 0.5131 -0.0091 0.0270 0.0068 981 ILE A CA \n2247 C C . ILE A 289 ? 0.7001 0.5883 0.6143 -0.0101 0.0326 0.0073 981 ILE A C \n2248 O O . ILE A 289 ? 0.6502 0.5404 0.5630 -0.0114 0.0401 0.0082 981 ILE A O \n2249 C CB . ILE A 289 ? 0.5966 0.5154 0.5455 -0.0060 0.0333 0.0056 981 ILE A CB \n2250 C CG1 . ILE A 289 ? 0.5456 0.4782 0.5129 -0.0052 0.0281 0.0050 981 ILE A CG1 \n2251 C CG2 . ILE A 289 ? 0.6158 0.5306 0.5580 -0.0026 0.0368 0.0040 981 ILE A CG2 \n2252 C CD1 . ILE A 289 ? 0.5854 0.5337 0.5680 -0.0030 0.0335 0.0043 981 ILE A CD1 \n2253 N N . GLN A 290 ? 0.7198 0.5931 0.6185 -0.0097 0.0289 0.0070 982 GLN A N \n2254 C CA . GLN A 290 ? 0.7420 0.5996 0.6198 -0.0105 0.0342 0.0072 982 GLN A CA \n2255 C C . GLN A 290 ? 0.7877 0.6519 0.6673 -0.0072 0.0454 0.0059 982 GLN A C \n2256 O O . GLN A 290 ? 0.8123 0.6839 0.7001 -0.0034 0.0462 0.0042 982 GLN A O \n2257 C CB . GLN A 290 ? 0.9432 0.7831 0.8042 -0.0105 0.0274 0.0070 982 GLN A CB \n2258 C CG . GLN A 290 ? 1.1835 1.0037 1.0199 -0.0123 0.0309 0.0076 982 GLN A CG \n2259 C CD . GLN A 290 ? 1.2915 1.0931 1.1102 -0.0122 0.0239 0.0073 982 GLN A CD \n2260 O OE1 . GLN A 290 ? 1.1338 0.9370 0.9556 -0.0093 0.0215 0.0060 982 GLN A OE1 \n2261 N NE2 . GLN A 290 ? 1.3825 1.1655 1.1819 -0.0157 0.0203 0.0088 982 GLN A NE2 \n2262 N N . GLY A 291 ? 0.8149 0.6765 0.6872 -0.0088 0.0540 0.0067 983 GLY A N \n2263 C CA . GLY A 291 ? 0.8277 0.6956 0.7017 -0.0056 0.0654 0.0054 983 GLY A CA \n2264 C C . GLY A 291 ? 0.8909 0.7805 0.7882 -0.0045 0.0698 0.0054 983 GLY A C \n2265 O O . GLY A 291 ? 0.8003 0.6982 0.7034 -0.0014 0.0785 0.0042 983 GLY A O \n2266 N N . ASP A 292 ? 0.8035 0.7017 0.7138 -0.0070 0.0636 0.0066 984 ASP A N \n2267 C CA . ASP A 292 ? 0.6897 0.6074 0.6220 -0.0063 0.0657 0.0067 984 ASP A CA \n2268 C C . ASP A 292 ? 0.7346 0.6609 0.6718 -0.0058 0.0771 0.0070 984 ASP A C \n2269 O O . ASP A 292 ? 0.7307 0.6703 0.6820 -0.0024 0.0811 0.0058 984 ASP A O \n2270 C CB . ASP A 292 ? 0.5678 0.4891 0.5076 -0.0101 0.0589 0.0085 984 ASP A CB \n2271 C CG . ASP A 292 ? 0.6828 0.6220 0.6445 -0.0089 0.0571 0.0081 984 ASP A CG \n2272 O OD1 . ASP A 292 ? 0.7331 0.6822 0.7048 -0.0052 0.0606 0.0067 984 ASP A OD1 \n2273 O OD2 . ASP A 292 ? 0.7093 0.6519 0.6777 -0.0115 0.0519 0.0093 984 ASP A OD2 \n2274 N N . GLU A 293 ? 0.8300 0.7487 0.7556 -0.0095 0.0821 0.0087 985 GLU A N \n2275 C CA . GLU A 293 ? 1.0027 0.9294 0.9324 -0.0099 0.0936 0.0093 985 GLU A CA \n2276 C C . GLU A 293 ? 0.9391 0.8676 0.8676 -0.0044 0.1018 0.0069 985 GLU A C \n2277 O O . GLU A 293 ? 0.9474 0.8905 0.8904 -0.0023 0.1090 0.0065 985 GLU A O \n2278 C CB . GLU A 293 ? 1.1650 1.0799 1.0786 -0.0152 0.0972 0.0115 985 GLU A CB \n2279 C CG . GLU A 293 ? 1.3974 1.3229 1.3185 -0.0176 0.1077 0.0131 985 GLU A CG \n2280 C CD . GLU A 293 ? 1.5493 1.4875 1.4873 -0.0213 0.1042 0.0153 985 GLU A CD \n2281 O OE1 . GLU A 293 ? 1.4291 1.3597 1.3618 -0.0253 0.0961 0.0169 985 GLU A OE1 \n2282 O OE2 . GLU A 293 ? 1.5574 1.5126 1.5137 -0.0202 0.1092 0.0155 985 GLU A OE2 \n2283 N N . ARG A 294 ? 0.9454 0.8588 0.8568 -0.0020 0.1001 0.0053 986 ARG A N \n2284 C CA . ARG A 294 ? 1.0036 0.9156 0.9109 0.0034 0.1070 0.0027 986 ARG A CA \n2285 C C . ARG A 294 ? 1.0976 1.0136 1.0132 0.0082 0.1006 0.0006 986 ARG A C \n2286 O O . ARG A 294 ? 1.3179 1.2208 1.2196 0.0107 0.0978 -0.0009 986 ARG A O \n2287 C CB . ARG A 294 ? 1.0660 0.9569 0.9466 0.0030 0.1102 0.0022 986 ARG A CB \n2288 C CG . ARG A 294 ? 1.2138 1.1018 1.0855 0.0000 0.1208 0.0036 986 ARG A CG \n2289 C CD . ARG A 294 ? 1.2418 1.1218 1.1052 -0.0071 0.1162 0.0066 986 ARG A CD \n2290 N NE . ARG A 294 ? 1.4330 1.2896 1.2708 -0.0091 0.1111 0.0068 986 ARG A NE \n2291 C CZ . ARG A 294 ? 1.5835 1.4251 1.4003 -0.0122 0.1169 0.0077 986 ARG A CZ \n2292 N NH1 . ARG A 294 ? 1.5502 1.3985 1.3688 -0.0138 0.1287 0.0086 986 ARG A NH1 \n2293 N NH2 . ARG A 294 ? 1.4309 1.2504 1.2245 -0.0139 0.1109 0.0079 986 ARG A NH2 \n2294 N N . MET A 295 ? 1.0734 1.0065 1.0106 0.0091 0.0982 0.0007 987 MET A N \n2295 C CA . MET A 295 ? 0.9874 0.9254 0.9335 0.0132 0.0926 -0.0011 987 MET A CA \n2296 C C . MET A 295 ? 1.0151 0.9701 0.9801 0.0172 0.0979 -0.0022 987 MET A C \n2297 O O . MET A 295 ? 0.8481 0.8175 0.8297 0.0154 0.0990 -0.0008 987 MET A O \n2298 C CB . MET A 295 ? 1.0538 0.9933 1.0060 0.0106 0.0814 -0.0001 987 MET A CB \n2299 C CG . MET A 295 ? 0.9017 0.8253 0.8384 0.0105 0.0736 -0.0007 987 MET A CG \n2300 S SD . MET A 295 ? 0.9838 0.9087 0.9268 0.0066 0.0616 0.0007 987 MET A SD \n2301 C CE . MET A 295 ? 1.0024 0.9063 0.9240 0.0060 0.0545 0.0004 987 MET A CE \n2302 N N . HIS A 296 ? 1.2215 1.1739 1.1835 0.0227 0.1003 -0.0046 988 HIS A N \n2303 C CA . HIS A 296 ? 1.2213 1.1877 1.1991 0.0274 0.1056 -0.0061 988 HIS A CA \n2304 C C . HIS A 296 ? 0.9897 0.9581 0.9739 0.0308 0.0983 -0.0077 988 HIS A C \n2305 O O . HIS A 296 ? 1.0129 0.9685 0.9836 0.0328 0.0946 -0.0091 988 HIS A O \n2306 C CB . HIS A 296 ? 1.4909 1.4523 1.4595 0.0315 0.1162 -0.0079 988 HIS A CB \n2307 C CG . HIS A 296 ? 1.7146 1.6561 1.6601 0.0335 0.1148 -0.0096 988 HIS A CG \n2308 N ND1 . HIS A 296 ? 1.6524 1.5779 1.5781 0.0295 0.1136 -0.0084 988 HIS A ND1 \n2309 C CD2 . HIS A 296 ? 1.6681 1.6020 1.6065 0.0389 0.1138 -0.0122 988 HIS A CD2 \n2310 C CE1 . HIS A 296 ? 1.5913 1.5005 1.4989 0.0323 0.1119 -0.0102 988 HIS A CE1 \n2311 N NE2 . HIS A 296 ? 1.5946 1.5085 1.5094 0.0380 0.1121 -0.0126 988 HIS A NE2 \n2312 N N . LEU A 297 ? 0.7822 0.7659 0.7861 0.0310 0.0958 -0.0072 989 LEU A N \n2313 C CA . LEU A 297 ? 0.9211 0.9070 0.9312 0.0340 0.0893 -0.0086 989 LEU A CA \n2314 C C . LEU A 297 ? 1.0864 1.0735 1.0982 0.0406 0.0943 -0.0112 989 LEU A C \n2315 O O . LEU A 297 ? 0.8567 0.8540 0.8789 0.0428 0.1019 -0.0114 989 LEU A O \n2316 C CB . LEU A 297 ? 0.8475 0.8472 0.8758 0.0318 0.0840 -0.0074 989 LEU A CB \n2317 C CG . LEU A 297 ? 0.8525 0.8489 0.8785 0.0270 0.0753 -0.0059 989 LEU A CG \n2318 C CD1 . LEU A 297 ? 0.8156 0.8254 0.8593 0.0258 0.0710 -0.0052 989 LEU A CD1 \n2319 C CD2 . LEU A 297 ? 0.6451 0.6285 0.6578 0.0276 0.0689 -0.0069 989 LEU A CD2 \n2320 N N . PRO A 298 ? 1.1030 1.0796 1.1047 0.0437 0.0898 -0.0130 990 PRO A N \n2321 C CA . PRO A 298 ? 1.1468 1.1222 1.1483 0.0503 0.0933 -0.0156 990 PRO A CA \n2322 C C . PRO A 298 ? 1.0815 1.0734 1.1044 0.0529 0.0936 -0.0159 990 PRO A C \n2323 O O . PRO A 298 ? 1.0015 1.0022 1.0364 0.0497 0.0877 -0.0144 990 PRO A O \n2324 C CB . PRO A 298 ? 1.1898 1.1517 1.1785 0.0512 0.0851 -0.0166 990 PRO A CB \n2325 C CG . PRO A 298 ? 1.1807 1.1329 1.1573 0.0455 0.0804 -0.0148 990 PRO A CG \n2326 C CD . PRO A 298 ? 1.0711 1.0358 1.0609 0.0408 0.0808 -0.0125 990 PRO A CD \n2327 N N . SER A 299 ? 1.0622 1.0578 1.0896 0.0588 0.1003 -0.0180 991 SER A N \n2328 C CA . SER A 299 ? 1.1644 1.1743 1.2115 0.0623 0.1002 -0.0186 991 SER A CA \n2329 C C . SER A 299 ? 1.1519 1.1608 1.2021 0.0615 0.0895 -0.0185 991 SER A C \n2330 O O . SER A 299 ? 1.1508 1.1469 1.1875 0.0628 0.0847 -0.0197 991 SER A O \n2331 C CB . SER A 299 ? 1.2245 1.2337 1.2715 0.0700 0.1071 -0.0215 991 SER A CB \n2332 O OG . SER A 299 ? 1.1389 1.1625 1.2062 0.0734 0.1071 -0.0220 991 SER A OG \n2333 N N . PRO A 300 ? 1.1896 1.2117 1.2568 0.0589 0.0858 -0.0169 992 PRO A N \n2334 C CA . PRO A 300 ? 1.1501 1.1718 1.2200 0.0570 0.0760 -0.0164 992 PRO A CA \n2335 C C . PRO A 300 ? 1.2577 1.2724 1.3232 0.0620 0.0723 -0.0187 992 PRO A C \n2336 O O . PRO A 300 ? 1.3139 1.3201 1.3708 0.0602 0.0650 -0.0186 992 PRO A O \n2337 C CB . PRO A 300 ? 1.0954 1.1331 1.1855 0.0551 0.0751 -0.0149 992 PRO A CB \n2338 C CG . PRO A 300 ? 1.1592 1.2041 1.2544 0.0534 0.0828 -0.0136 992 PRO A CG \n2339 C CD . PRO A 300 ? 1.2345 1.2721 1.3189 0.0575 0.0907 -0.0154 992 PRO A CD \n2340 N N . THR A 301 ? 1.0058 1.0240 1.0773 0.0682 0.0771 -0.0206 993 THR A N \n2341 C CA . THR A 301 ? 1.1309 1.1427 1.1992 0.0737 0.0734 -0.0229 993 THR A CA \n2342 C C . THR A 301 ? 1.3328 1.3273 1.3804 0.0766 0.0743 -0.0249 993 THR A C \n2343 O O . THR A 301 ? 1.3010 1.2870 1.3424 0.0803 0.0699 -0.0266 993 THR A O \n2344 C CB . THR A 301 ? 1.1084 1.1311 1.1929 0.0797 0.0772 -0.0244 993 THR A CB \n2345 O OG1 . THR A 301 ? 1.1895 1.2200 1.2798 0.0811 0.0873 -0.0244 993 THR A OG1 \n2346 C CG2 . THR A 301 ? 1.0346 1.0696 1.1366 0.0774 0.0714 -0.0228 993 THR A CG2 \n2347 N N . ASP A 302 ? 1.4030 1.3914 1.4392 0.0749 0.0797 -0.0246 994 ASP A N \n2348 C CA . ASP A 302 ? 1.2990 1.2692 1.3133 0.0765 0.0798 -0.0260 994 ASP A CA \n2349 C C . ASP A 302 ? 1.1727 1.1328 1.1756 0.0708 0.0706 -0.0244 994 ASP A C \n2350 O O . ASP A 302 ? 1.1835 1.1277 1.1680 0.0712 0.0686 -0.0252 994 ASP A O \n2351 C CB . ASP A 302 ? 1.3105 1.2771 1.3158 0.0767 0.0892 -0.0263 994 ASP A CB \n2352 C CG . ASP A 302 ? 1.3941 1.3683 1.4078 0.0831 0.0992 -0.0284 994 ASP A CG \n2353 O OD1 . ASP A 302 ? 1.2311 1.2166 1.2614 0.0869 0.0987 -0.0292 994 ASP A OD1 \n2354 O OD2 . ASP A 302 ? 1.2450 1.2140 1.2488 0.0844 0.1076 -0.0292 994 ASP A OD2 \n2355 N N . SER A 303 ? 1.0468 1.0163 1.0608 0.0657 0.0652 -0.0222 995 SER A N \n2356 C CA . SER A 303 ? 0.9300 0.8923 0.9361 0.0603 0.0567 -0.0206 995 SER A CA \n2357 C C . SER A 303 ? 0.9723 0.9255 0.9718 0.0626 0.0500 -0.0218 995 SER A C \n2358 O O . SER A 303 ? 0.9060 0.8628 0.9127 0.0671 0.0499 -0.0233 995 SER A O \n2359 C CB . SER A 303 ? 0.9694 0.9441 0.9893 0.0548 0.0530 -0.0182 995 SER A CB \n2360 O OG . SER A 303 ? 0.7121 0.6917 0.7406 0.0546 0.0469 -0.0181 995 SER A OG \n2361 N N . ASN A 304 ? 0.9182 0.8593 0.9039 0.0592 0.0440 -0.0210 996 ASN A N \n2362 C CA . ASN A 304 ? 0.9673 0.8986 0.9452 0.0599 0.0369 -0.0217 996 ASN A CA \n2363 C C . ASN A 304 ? 0.9795 0.9208 0.9711 0.0583 0.0316 -0.0208 996 ASN A C \n2364 O O . ASN A 304 ? 0.9483 0.8872 0.9406 0.0619 0.0290 -0.0222 996 ASN A O \n2365 C CB . ASN A 304 ? 0.8458 0.7637 0.8079 0.0554 0.0313 -0.0204 996 ASN A CB \n2366 C CG . ASN A 304 ? 0.9948 0.8992 0.9400 0.0576 0.0355 -0.0215 996 ASN A CG \n2367 O OD1 . ASN A 304 ? 0.9191 0.8199 0.8604 0.0636 0.0415 -0.0238 996 ASN A OD1 \n2368 N ND2 . ASN A 304 ? 0.8242 0.7209 0.7593 0.0528 0.0325 -0.0199 996 ASN A ND2 \n2369 N N . PHE A 305 ? 0.8717 0.8238 0.8738 0.0530 0.0301 -0.0187 997 PHE A N \n2370 C CA . PHE A 305 ? 0.5837 0.5446 0.5974 0.0506 0.0251 -0.0178 997 PHE A CA \n2371 C C . PHE A 305 ? 0.6597 0.6282 0.6849 0.0555 0.0270 -0.0191 997 PHE A C \n2372 O O . PHE A 305 ? 0.7922 0.7591 0.8187 0.0560 0.0217 -0.0193 997 PHE A O \n2373 C CB . PHE A 305 ? 0.6989 0.6702 0.7218 0.0449 0.0244 -0.0156 997 PHE A CB \n2374 C CG . PHE A 305 ? 0.5710 0.5466 0.5998 0.0411 0.0179 -0.0145 997 PHE A CG \n2375 C CD1 . PHE A 305 ? 0.5133 0.4985 0.5547 0.0421 0.0174 -0.0146 997 PHE A CD1 \n2376 C CD2 . PHE A 305 ? 0.6193 0.5889 0.6406 0.0364 0.0123 -0.0133 997 PHE A CD2 \n2377 C CE1 . PHE A 305 ? 0.4505 0.4383 0.4956 0.0385 0.0118 -0.0136 997 PHE A CE1 \n2378 C CE2 . PHE A 305 ? 0.6139 0.5873 0.6400 0.0328 0.0070 -0.0122 997 PHE A CE2 \n2379 C CZ . PHE A 305 ? 0.4722 0.4542 0.5094 0.0338 0.0069 -0.0124 997 PHE A CZ \n2380 N N . TYR A 306 ? 0.5537 0.5301 0.5872 0.0589 0.0342 -0.0198 998 TYR A N \n2381 C CA . TYR A 306 ? 0.6233 0.6085 0.6701 0.0635 0.0360 -0.0210 998 TYR A CA \n2382 C C . TYR A 306 ? 0.6620 0.6372 0.7016 0.0695 0.0342 -0.0233 998 TYR A C \n2383 O O . TYR A 306 ? 0.6307 0.6072 0.6756 0.0707 0.0291 -0.0236 998 TYR A O \n2384 C CB . TYR A 306 ? 0.6187 0.6147 0.6762 0.0658 0.0446 -0.0212 998 TYR A CB \n2385 C CG . TYR A 306 ? 0.6522 0.6584 0.7253 0.0704 0.0460 -0.0221 998 TYR A CG \n2386 C CD1 . TYR A 306 ? 0.7964 0.8152 0.8852 0.0677 0.0439 -0.0206 998 TYR A CD1 \n2387 C CD2 . TYR A 306 ? 0.8168 0.8194 0.8888 0.0777 0.0491 -0.0247 998 TYR A CD2 \n2388 C CE1 . TYR A 306 ? 0.8622 0.8901 0.9657 0.0717 0.0443 -0.0212 998 TYR A CE1 \n2389 C CE2 . TYR A 306 ? 0.8160 0.8283 0.9035 0.0822 0.0499 -0.0256 998 TYR A CE2 \n2390 C CZ . TYR A 306 ? 0.9878 1.0128 1.0913 0.0789 0.0472 -0.0237 998 TYR A CZ \n2391 O OH . TYR A 306 ? 1.0108 1.0453 1.1301 0.0831 0.0472 -0.0244 998 TYR A OH \n2392 N N . ARG A 307 ? 0.7174 0.6820 0.7441 0.0731 0.0381 -0.0250 999 ARG A N \n2393 C CA . ARG A 307 ? 0.8550 0.8086 0.8730 0.0794 0.0367 -0.0275 999 ARG A CA \n2394 C C . ARG A 307 ? 0.9285 0.8721 0.9382 0.0771 0.0269 -0.0270 999 ARG A C \n2395 O O . ARG A 307 ? 0.7012 0.6425 0.7131 0.0810 0.0233 -0.0283 999 ARG A O \n2396 C CB . ARG A 307 ? 0.9740 0.9158 0.9767 0.0830 0.0423 -0.0293 999 ARG A CB \n2397 C CG . ARG A 307 ? 0.9624 0.9122 0.9726 0.0881 0.0527 -0.0309 999 ARG A CG \n2398 C CD . ARG A 307 ? 1.1962 1.1316 1.1893 0.0932 0.0575 -0.0334 999 ARG A CD \n2399 N NE . ARG A 307 ? 1.2909 1.2335 1.2903 0.0984 0.0684 -0.0352 999 ARG A NE \n2400 C CZ . ARG A 307 ? 1.1736 1.1212 1.1823 0.1060 0.0723 -0.0377 999 ARG A CZ \n2401 N NH1 . ARG A 307 ? 1.0498 1.0047 1.0644 0.1101 0.0829 -0.0390 999 ARG A NH1 \n2402 N NH2 . ARG A 307 ? 0.9480 0.8934 0.9601 0.1095 0.0657 -0.0389 999 ARG A NH2 \n2403 N N . ALA A 308 ? 0.7442 0.6822 0.7448 0.0705 0.0226 -0.0250 1000 ALA A N \n2404 C CA . ALA A 308 ? 0.8914 0.8215 0.8849 0.0663 0.0134 -0.0238 1000 ALA A CA \n2405 C C . ALA A 308 ? 0.9300 0.8682 0.9354 0.0649 0.0086 -0.0230 1000 ALA A C \n2406 O O . ALA A 308 ? 0.8472 0.7773 0.8462 0.0638 0.0016 -0.0228 1000 ALA A O \n2407 C CB . ALA A 308 ? 0.5397 0.4677 0.5269 0.0589 0.0109 -0.0214 1000 ALA A CB \n2408 N N . LEU A 309 ? 0.5935 0.5469 0.6153 0.0647 0.0120 -0.0224 1001 LEU A N \n2409 C CA . LEU A 309 ? 0.5147 0.4758 0.5478 0.0631 0.0077 -0.0216 1001 LEU A CA \n2410 C C . LEU A 309 ? 0.6766 0.6404 0.7181 0.0698 0.0082 -0.0235 1001 LEU A C \n2411 O O . LEU A 309 ? 0.6805 0.6418 0.7232 0.0700 0.0020 -0.0235 1001 LEU A O \n2412 C CB . LEU A 309 ? 0.5725 0.5480 0.6186 0.0586 0.0101 -0.0197 1001 LEU A CB \n2413 C CG . LEU A 309 ? 0.5529 0.5297 0.5978 0.0510 0.0053 -0.0175 1001 LEU A CG \n2414 C CD1 . LEU A 309 ? 0.6187 0.5872 0.6508 0.0476 0.0047 -0.0167 1001 LEU A CD1 \n2415 C CD2 . LEU A 309 ? 0.5059 0.4968 0.5648 0.0481 0.0077 -0.0162 1001 LEU A CD2 \n2416 N N . MET A 310 ? 0.6670 0.6361 0.7145 0.0753 0.0156 -0.0251 1002 MET A N \n2417 C CA . MET A 310 ? 0.7759 0.7525 0.8369 0.0814 0.0172 -0.0266 1002 MET A CA \n2418 C C . MET A 310 ? 0.8752 0.8422 0.9299 0.0895 0.0178 -0.0296 1002 MET A C \n2419 O O . MET A 310 ? 0.7655 0.7355 0.8294 0.0943 0.0156 -0.0308 1002 MET A O \n2420 C CB . MET A 310 ? 0.7211 0.7130 0.7973 0.0821 0.0250 -0.0262 1002 MET A CB \n2421 C CG . MET A 310 ? 0.8481 0.8499 0.9318 0.0747 0.0244 -0.0234 1002 MET A CG \n2422 S SD . MET A 310 ? 0.8166 0.8200 0.9049 0.0698 0.0148 -0.0216 1002 MET A SD \n2423 C CE . MET A 310 ? 0.8744 0.8854 0.9788 0.0759 0.0136 -0.0229 1002 MET A CE \n2424 N N . ASP A 311 ? 0.9365 0.8916 0.9755 0.0912 0.0203 -0.0308 1003 ASP A N \n2425 C CA . ASP A 311 ? 1.1948 1.1396 1.2260 0.0994 0.0219 -0.0341 1003 ASP A CA \n2426 C C . ASP A 311 ? 1.1255 1.0573 1.1479 0.1012 0.0126 -0.0349 1003 ASP A C \n2427 O O . ASP A 311 ? 1.1393 1.0642 1.1587 0.1088 0.0129 -0.0378 1003 ASP A O \n2428 C CB . ASP A 311 ? 1.1500 1.0846 1.1655 0.1006 0.0275 -0.0352 1003 ASP A CB \n2429 C CG . ASP A 311 ? 1.2027 1.1484 1.2268 0.1027 0.0384 -0.0357 1003 ASP A CG \n2430 O OD1 . ASP A 311 ? 1.1370 1.0982 1.1768 0.0993 0.0407 -0.0338 1003 ASP A OD1 \n2431 O OD2 . ASP A 311 ? 1.4065 1.3447 1.4208 0.1075 0.0445 -0.0379 1003 ASP A OD2 \n2432 N N . GLU A 312 ? 1.0995 1.0280 1.1177 0.0941 0.0047 -0.0325 1004 GLU A N \n2433 C CA . GLU A 312 ? 1.2079 1.1246 1.2180 0.0943 -0.0045 -0.0327 1004 GLU A CA \n2434 C C . GLU A 312 ? 1.1771 1.0982 1.1993 0.1009 -0.0063 -0.0345 1004 GLU A C \n2435 O O . GLU A 312 ? 1.0493 0.9855 1.0893 0.1013 -0.0036 -0.0339 1004 GLU A O \n2436 C CB . GLU A 312 ? 1.2077 1.1246 1.2158 0.0850 -0.0114 -0.0294 1004 GLU A CB \n2437 C CG . GLU A 312 ? 1.2246 1.1282 1.2222 0.0836 -0.0212 -0.0291 1004 GLU A CG \n2438 C CD . GLU A 312 ? 1.3187 1.2237 1.3149 0.0741 -0.0269 -0.0258 1004 GLU A CD \n2439 O OE1 . GLU A 312 ? 1.0602 0.9566 1.0502 0.0721 -0.0348 -0.0252 1004 GLU A OE1 \n2440 O OE2 . GLU A 312 ? 1.0657 0.9800 1.0666 0.0687 -0.0234 -0.0240 1004 GLU A OE2 \n2441 N N . GLU A 313 ? 1.2401 1.1473 1.2526 0.1061 -0.0114 -0.0365 1005 GLU A N \n2442 C CA . GLU A 313 ? 1.3509 1.2601 1.3737 0.1134 -0.0139 -0.0386 1005 GLU A CA \n2443 C C . GLU A 313 ? 1.3670 1.2826 1.4002 0.1091 -0.0212 -0.0364 1005 GLU A C \n2444 O O . GLU A 313 ? 1.4257 1.3496 1.4739 0.1138 -0.0217 -0.0374 1005 GLU A O \n2445 C CB . GLU A 313 ? 1.3511 1.2418 1.3587 0.1197 -0.0184 -0.0413 1005 GLU A CB \n2446 C CG . GLU A 313 ? 1.4030 1.2900 1.4061 0.1280 -0.0100 -0.0447 1005 GLU A CG \n2447 C CD . GLU A 313 ? 1.4556 1.3215 1.4394 0.1332 -0.0146 -0.0473 1005 GLU A CD \n2448 O OE1 . GLU A 313 ? 1.2632 1.1232 1.2395 0.1395 -0.0079 -0.0501 1005 GLU A OE1 \n2449 O OE2 . GLU A 313 ? 1.3645 1.2187 1.3395 0.1308 -0.0248 -0.0464 1005 GLU A OE2 \n2450 N N . ASP A 314 ? 1.5115 1.4232 1.5368 0.1000 -0.0267 -0.0335 1006 ASP A N \n2451 C CA . ASP A 314 ? 1.5722 1.4894 1.6053 0.0947 -0.0330 -0.0311 1006 ASP A CA \n2452 C C . ASP A 314 ? 1.4561 1.3925 1.5094 0.0942 -0.0278 -0.0303 1006 ASP A C \n2453 O O . ASP A 314 ? 1.3729 1.3149 1.4371 0.0941 -0.0321 -0.0297 1006 ASP A O \n2454 C CB . ASP A 314 ? 1.5887 1.4996 1.6096 0.0848 -0.0378 -0.0282 1006 ASP A CB \n2455 C CG . ASP A 314 ? 1.5604 1.4523 1.5633 0.0840 -0.0461 -0.0283 1006 ASP A CG \n2456 O OD1 . ASP A 314 ? 1.4088 1.2927 1.4103 0.0902 -0.0506 -0.0302 1006 ASP A OD1 \n2457 O OD2 . ASP A 314 ? 1.4157 1.3007 1.4062 0.0771 -0.0484 -0.0264 1006 ASP A OD2 \n2458 N N . MET A 315 ? 1.2051 1.1505 1.2626 0.0935 -0.0190 -0.0302 1007 MET A N \n2459 C CA . MET A 315 ? 1.1385 1.1017 1.2148 0.0940 -0.0131 -0.0296 1007 MET A CA \n2460 C C . MET A 315 ? 1.2377 1.2057 1.3253 0.1037 -0.0090 -0.0325 1007 MET A C \n2461 O O . MET A 315 ? 1.3695 1.3422 1.4596 0.1075 -0.0003 -0.0339 1007 MET A O \n2462 C CB . MET A 315 ? 1.0381 1.0079 1.1136 0.0898 -0.0054 -0.0285 1007 MET A CB \n2463 C CG . MET A 315 ? 0.8406 0.8029 0.9019 0.0818 -0.0082 -0.0264 1007 MET A CG \n2464 S SD . MET A 315 ? 0.8532 0.8189 0.9172 0.0730 -0.0155 -0.0234 1007 MET A SD \n2465 C CE . MET A 315 ? 0.7163 0.7010 0.7988 0.0708 -0.0095 -0.0220 1007 MET A CE \n2466 N N . ASP A 316 ? 1.3918 1.3585 1.4860 0.1076 -0.0154 -0.0333 1008 ASP A N \n2467 C CA . ASP A 316 ? 1.3811 1.3507 1.4855 0.1176 -0.0130 -0.0363 1008 ASP A CA \n2468 C C . ASP A 316 ? 1.2967 1.2857 1.4229 0.1198 -0.0054 -0.0361 1008 ASP A C \n2469 O O . ASP A 316 ? 1.2923 1.2873 1.4204 0.1218 0.0041 -0.0370 1008 ASP A O \n2470 C CB . ASP A 316 ? 1.5407 1.5023 1.6457 0.1208 -0.0233 -0.0370 1008 ASP A CB \n2471 C CG . ASP A 316 ? 1.5026 1.4633 1.6144 0.1321 -0.0217 -0.0407 1008 ASP A CG \n2472 O OD1 . ASP A 316 ? 0.9855 0.9578 1.1165 0.1362 -0.0221 -0.0411 1008 ASP A OD1 \n2473 O OD2 . ASP A 316 ? 1.4722 1.4205 1.5703 0.1370 -0.0203 -0.0432 1008 ASP A OD2 \n2474 N N . ASP A 317 ? 1.2479 1.2462 1.3899 0.1192 -0.0101 -0.0349 1009 ASP A N \n2475 C CA . ASP A 317 ? 1.2146 1.2316 1.3785 0.1206 -0.0043 -0.0343 1009 ASP A CA \n2476 C C . ASP A 317 ? 1.1221 1.1469 1.2920 0.1116 -0.0074 -0.0308 1009 ASP A C \n2477 O O . ASP A 317 ? 0.8749 0.8976 1.0474 0.1092 -0.0163 -0.0295 1009 ASP A O \n2478 C CB . ASP A 317 ? 1.2222 1.2441 1.4022 0.1289 -0.0070 -0.0363 1009 ASP A CB \n2479 C CG . ASP A 317 ? 1.3698 1.3878 1.5478 0.1389 -0.0013 -0.0402 1009 ASP A CG \n2480 O OD1 . ASP A 317 ? 1.2606 1.2696 1.4365 0.1452 -0.0074 -0.0424 1009 ASP A OD1 \n2481 O OD2 . ASP A 317 ? 1.3719 1.3954 1.5501 0.1405 0.0093 -0.0411 1009 ASP A OD2 \n2482 N N . VAL A 318 ? 1.1107 1.1436 1.2818 0.1069 -0.0001 -0.0293 1010 VAL A N \n2483 C CA . VAL A 318 ? 0.9458 0.9838 1.1185 0.0980 -0.0025 -0.0261 1010 VAL A CA \n2484 C C . VAL A 318 ? 0.9217 0.9768 1.1124 0.0964 0.0032 -0.0246 1010 VAL A C \n2485 O O . VAL A 318 ? 0.9048 0.9681 1.1038 0.1007 0.0116 -0.0257 1010 VAL A O \n2486 C CB . VAL A 318 ? 0.9821 1.0111 1.1362 0.0917 -0.0015 -0.0251 1010 VAL A CB \n2487 C CG1 . VAL A 318 ? 1.0631 1.0754 1.2000 0.0916 -0.0088 -0.0259 1010 VAL A CG1 \n2488 C CG2 . VAL A 318 ? 0.9500 0.9808 1.0999 0.0932 0.0083 -0.0261 1010 VAL A CG2 \n2489 N N . VAL A 319 ? 0.7884 0.8483 0.9844 0.0900 -0.0012 -0.0220 1011 VAL A N \n2490 C CA . VAL A 319 ? 0.7216 0.7965 0.9330 0.0869 0.0028 -0.0200 1011 VAL A CA \n2491 C C . VAL A 319 ? 0.8856 0.9594 1.0883 0.0784 0.0028 -0.0178 1011 VAL A C \n2492 O O . VAL A 319 ? 0.7692 0.8361 0.9642 0.0738 -0.0042 -0.0167 1011 VAL A O \n2493 C CB . VAL A 319 ? 0.7737 0.8567 1.0028 0.0878 -0.0032 -0.0190 1011 VAL A CB \n2494 C CG1 . VAL A 319 ? 0.8115 0.9085 1.0547 0.0834 0.0001 -0.0166 1011 VAL A CG1 \n2495 C CG2 . VAL A 319 ? 0.6617 0.7479 0.9024 0.0967 -0.0028 -0.0212 1011 VAL A CG2 \n2496 N N . ASP A 320 ? 0.8943 0.9746 1.0983 0.0765 0.0108 -0.0171 1012 ASP A N \n2497 C CA . ASP A 320 ? 0.9051 0.9855 1.1025 0.0691 0.0117 -0.0152 1012 ASP A CA \n2498 C C . ASP A 320 ? 0.8442 0.9289 1.0489 0.0641 0.0053 -0.0130 1012 ASP A C \n2499 O O . ASP A 320 ? 0.7356 0.8291 0.9560 0.0656 0.0038 -0.0123 1012 ASP A O \n2500 C CB . ASP A 320 ? 0.9345 1.0230 1.1359 0.0685 0.0211 -0.0147 1012 ASP A CB \n2501 C CG . ASP A 320 ? 1.1620 1.2475 1.3527 0.0621 0.0224 -0.0133 1012 ASP A CG \n2502 O OD1 . ASP A 320 ? 1.2353 1.3109 1.4108 0.0617 0.0231 -0.0142 1012 ASP A OD1 \n2503 O OD2 . ASP A 320 ? 1.1828 1.2757 1.3807 0.0576 0.0226 -0.0114 1012 ASP A OD2 \n2504 N N . ALA A 321 ? 0.5800 0.6584 0.7737 0.0583 0.0016 -0.0120 1013 ALA A N \n2505 C CA . ALA A 321 ? 0.6606 0.7410 0.8583 0.0534 -0.0043 -0.0102 1013 ALA A CA \n2506 C C . ALA A 321 ? 0.7590 0.8517 0.9715 0.0514 -0.0017 -0.0084 1013 ALA A C \n2507 O O . ALA A 321 ? 0.7342 0.8301 0.9551 0.0497 -0.0072 -0.0071 1013 ALA A O \n2508 C CB . ALA A 321 ? 0.7095 0.7819 0.8927 0.0476 -0.0069 -0.0096 1013 ALA A CB \n2509 N N . ASP A 322 ? 0.6516 0.7502 0.8662 0.0513 0.0060 -0.0082 1014 ASP A N \n2510 C CA . ASP A 322 ? 0.8273 0.9376 1.0556 0.0493 0.0092 -0.0064 1014 ASP A CA \n2511 C C . ASP A 322 ? 0.8225 0.9420 1.0687 0.0536 0.0089 -0.0063 1014 ASP A C \n2512 O O . ASP A 322 ? 0.9168 1.0441 1.1756 0.0512 0.0063 -0.0044 1014 ASP A O \n2513 C CB . ASP A 322 ? 0.9484 1.0616 1.1736 0.0485 0.0179 -0.0063 1014 ASP A CB \n2514 C CG . ASP A 322 ? 0.9938 1.0991 1.2034 0.0441 0.0180 -0.0062 1014 ASP A CG \n2515 O OD1 . ASP A 322 ? 1.1208 1.2225 1.3216 0.0450 0.0234 -0.0071 1014 ASP A OD1 \n2516 O OD2 . ASP A 322 ? 1.0642 1.1666 1.2703 0.0398 0.0126 -0.0053 1014 ASP A OD2 \n2517 N N . GLU A 323 ? 0.7600 0.8784 1.0073 0.0599 0.0113 -0.0084 1015 GLU A N \n2518 C CA . GLU A 323 ? 0.9332 1.0605 1.1980 0.0651 0.0114 -0.0087 1015 GLU A CA \n2519 C C . GLU A 323 ? 0.8977 1.0222 1.1676 0.0658 0.0011 -0.0085 1015 GLU A C \n2520 O O . GLU A 323 ? 0.8178 0.9513 1.1049 0.0675 -0.0012 -0.0076 1015 GLU A O \n2521 C CB . GLU A 323 ? 0.9994 1.1254 1.2624 0.0723 0.0175 -0.0114 1015 GLU A CB \n2522 C CG . GLU A 323 ? 1.2026 1.3410 1.4854 0.0779 0.0213 -0.0119 1015 GLU A CG \n2523 C CD . GLU A 323 ? 1.3718 1.5076 1.6513 0.0854 0.0276 -0.0149 1015 GLU A CD \n2524 O OE1 . GLU A 323 ? 1.4469 1.5725 1.7086 0.0855 0.0310 -0.0163 1015 GLU A OE1 \n2525 O OE2 . GLU A 323 ? 1.4349 1.5786 1.7296 0.0915 0.0290 -0.0160 1015 GLU A OE2 \n2526 N N . TYR A 324 ? 0.7778 0.8895 1.0324 0.0642 -0.0050 -0.0091 1016 TYR A N \n2527 C CA . TYR A 324 ? 0.7955 0.9016 1.0509 0.0642 -0.0153 -0.0088 1016 TYR A CA \n2528 C C . TYR A 324 ? 0.8272 0.9353 1.0860 0.0577 -0.0208 -0.0063 1016 TYR A C \n2529 O O . TYR A 324 ? 0.9020 1.0115 1.1703 0.0581 -0.0279 -0.0054 1016 TYR A O \n2530 C CB . TYR A 324 ? 0.9663 1.0574 1.2032 0.0645 -0.0195 -0.0103 1016 TYR A CB \n2531 C CG . TYR A 324 ? 0.9966 1.0793 1.2290 0.0619 -0.0300 -0.0095 1016 TYR A CG \n2532 C CD1 . TYR A 324 ? 1.0568 1.1350 1.2801 0.0548 -0.0334 -0.0079 1016 TYR A CD1 \n2533 C CD2 . TYR A 324 ? 0.8997 0.9781 1.1360 0.0666 -0.0367 -0.0105 1016 TYR A CD2 \n2534 C CE1 . TYR A 324 ? 1.1146 1.1843 1.3324 0.0522 -0.0426 -0.0072 1016 TYR A CE1 \n2535 C CE2 . TYR A 324 ? 0.9442 1.0137 1.1751 0.0638 -0.0466 -0.0097 1016 TYR A CE2 \n2536 C CZ . TYR A 324 ? 1.1348 1.1998 1.3559 0.0564 -0.0493 -0.0080 1016 TYR A CZ \n2537 O OH . TYR A 324 ? 1.0923 1.1476 1.3063 0.0534 -0.0587 -0.0072 1016 TYR A OH \n2538 N N . LEU A 325 ? 0.8852 0.9924 1.1356 0.0521 -0.0179 -0.0052 1017 LEU A N \n2539 C CA . LEU A 325 ? 0.8728 0.9807 1.1242 0.0460 -0.0225 -0.0031 1017 LEU A CA \n2540 C C . LEU A 325 ? 0.8820 1.0022 1.1468 0.0439 -0.0178 -0.0013 1017 LEU A C \n2541 O O . LEU A 325 ? 0.9603 1.0889 1.2414 0.0449 -0.0201 0.0000 1017 LEU A O \n2542 C CB . LEU A 325 ? 1.1072 1.2053 1.3403 0.0410 -0.0233 -0.0031 1017 LEU A CB \n2543 C CG . LEU A 325 ? 1.3628 1.4608 1.5937 0.0346 -0.0258 -0.0014 1017 LEU A CG \n2544 C CD1 . LEU A 325 ? 1.4320 1.5260 1.6651 0.0327 -0.0351 -0.0003 1017 LEU A CD1 \n2545 C CD2 . LEU A 325 ? 1.2948 1.3856 1.5092 0.0310 -0.0236 -0.0020 1017 LEU A CD2 \n2546 C C1 . W32 B . ? 0.3488 0.3979 0.4502 -0.0021 -0.0090 -0.0069 1101 W32 A C1 \n2547 C C2 . W32 B . ? 0.3304 0.3824 0.4388 0.0006 -0.0086 -0.0068 1101 W32 A C2 \n2548 C C3 . W32 B . ? 0.3084 0.3425 0.3969 0.0079 -0.0063 -0.0070 1101 W32 A C3 \n2549 C C4 . W32 B . ? 0.3327 0.3768 0.4287 -0.0018 -0.0102 -0.0066 1101 W32 A C4 \n2550 C C5 . W32 B . ? 0.3174 0.3543 0.4079 0.0049 -0.0078 -0.0067 1101 W32 A C5 \n2551 C C6 . W32 B . ? 0.3119 0.3574 0.4166 0.0048 -0.0099 -0.0067 1101 W32 A C6 \n2552 C C7 . W32 B . ? 0.3057 0.3331 0.3928 0.0119 -0.0105 -0.0074 1101 W32 A C7 \n2553 C C8 . W32 B . ? 0.3558 0.3896 0.4565 0.0258 0.0003 -0.0094 1101 W32 A C8 \n2554 C C9 . W32 B . ? 0.4116 0.4324 0.4927 0.0225 -0.0010 -0.0092 1101 W32 A C9 \n2555 C C10 . W32 B . ? 0.2743 0.3251 0.3848 0.0040 -0.0089 -0.0066 1101 W32 A C10 \n2556 C C11 . W32 B . ? 0.3278 0.3571 0.4143 0.0114 -0.0073 -0.0074 1101 W32 A C11 \n2557 C C12 . W32 B . ? 0.3650 0.4069 0.4621 0.0017 -0.0109 -0.0066 1101 W32 A C12 \n2558 C C13 . W32 B . ? 0.3118 0.3462 0.4019 0.0051 -0.0108 -0.0067 1101 W32 A C13 \n2559 C C14 . W32 B . ? 0.3293 0.3590 0.4181 0.0086 -0.0125 -0.0070 1101 W32 A C14 \n2560 C C15 . W32 B . ? 0.3358 0.3580 0.4212 0.0274 0.0021 -0.0101 1101 W32 A C15 \n2561 C C16 . W32 B . ? 0.4117 0.4379 0.4987 0.0196 -0.0029 -0.0086 1101 W32 A C16 \n2562 C C17 . W32 B . ? 0.4094 0.4229 0.4802 0.0202 -0.0026 -0.0089 1101 W32 A C17 \n2563 C C18 . W32 B . ? 0.3766 0.3848 0.4408 0.0216 -0.0008 -0.0092 1101 W32 A C18 \n2564 C C19 . W32 B . ? 0.5119 0.5121 0.5659 0.0185 -0.0041 -0.0086 1101 W32 A C19 \n2565 C C20 . W32 B . ? 0.4085 0.4176 0.4743 0.0256 0.0042 -0.0100 1101 W32 A C20 \n2566 C C21 . W32 B . ? 0.3992 0.4070 0.4671 0.0306 0.0046 -0.0112 1101 W32 A C21 \n2567 C C22 . W32 B . ? 1.0864 1.0790 1.1254 0.0035 -0.0118 -0.0045 1101 W32 A C22 \n2568 C C23 . W32 B . ? 0.6635 0.6600 0.7102 0.0099 -0.0106 -0.0066 1101 W32 A C23 \n2569 C C24 . W32 B . ? 0.7736 0.7706 0.8194 0.0090 -0.0088 -0.0063 1101 W32 A C24 \n2570 C C25 . W32 B . ? 0.2907 0.3458 0.4100 0.0068 -0.0081 -0.0064 1101 W32 A C25 \n2571 N N26 . W32 B . ? 0.3345 0.3640 0.4305 0.0291 0.0030 -0.0102 1101 W32 A N26 \n2572 N N27 . W32 B . ? 0.3665 0.3987 0.4627 0.0212 -0.0024 -0.0087 1101 W32 A N27 \n2573 N N28 . W32 B . ? 0.3585 0.3756 0.4385 0.0312 0.0051 -0.0111 1101 W32 A N28 \n2574 N N29 . W32 B . ? 0.3213 0.3467 0.4044 0.0147 -0.0055 -0.0079 1101 W32 A N29 \n2575 N N30 . W32 B . ? 0.4898 0.4922 0.5444 0.0136 -0.0073 -0.0075 1101 W32 A N30 \n2576 O O31 . W32 B . ? 0.6301 0.6221 0.6755 0.0204 -0.0040 -0.0090 1101 W32 A O31 \n2577 O O32 . W32 B . ? 0.7976 0.7911 0.8373 0.0001 -0.0162 -0.0040 1101 W32 A O32 \n2578 O O33 . W32 B . ? 1.0303 1.0076 1.0557 0.0072 -0.0152 -0.0054 1101 W32 A O33 \n2579 O O34 . W32 B . ? 0.3399 0.3755 0.4303 0.0020 -0.0125 -0.0064 1101 W32 A O34 \n2580 F F35 . W32 B . ? 0.3839 0.4435 0.5071 0.0076 -0.0044 -0.0063 1101 W32 A F35 \n2581 F F36 . W32 B . ? 0.3739 0.4273 0.4947 0.0101 -0.0087 -0.0064 1101 W32 A F36 \n2582 F F37 . W32 B . ? 0.3464 0.4030 0.4690 0.0054 -0.0102 -0.0061 1101 W32 A F37 \n2583 S S38 . W32 B . ? 1.0567 1.0459 1.0932 0.0047 -0.0136 -0.0050 1101 W32 A S38 \n2584 CL CL1 . W32 B . ? 0.3946 0.4202 0.4828 0.0089 -0.0173 -0.0069 1101 W32 A CL1 \n# \nloop_\n_pdbx_poly_seq_scheme.asym_id \n_pdbx_poly_seq_scheme.entity_id \n_pdbx_poly_seq_scheme.seq_id \n_pdbx_poly_seq_scheme.mon_id \n_pdbx_poly_seq_scheme.ndb_seq_num \n_pdbx_poly_seq_scheme.pdb_seq_num \n_pdbx_poly_seq_scheme.auth_seq_num \n_pdbx_poly_seq_scheme.pdb_mon_id \n_pdbx_poly_seq_scheme.auth_mon_id \n_pdbx_poly_seq_scheme.pdb_strand_id \n_pdbx_poly_seq_scheme.pdb_ins_code \n_pdbx_poly_seq_scheme.hetero \nA 1 1 GLY 1 693 ? ? ? A . n \nA 1 2 ALA 2 694 ? ? ? A . n \nA 1 3 MET 3 695 ? ? ? A . n \nA 1 4 GLY 4 696 ? ? ? A . n \nA 1 5 GLU 5 697 ? ? ? A . n \nA 1 6 ALA 6 698 ? ? ? A . n \nA 1 7 PRO 7 699 ? ? ? A . n \nA 1 8 ASN 8 700 ? ? ? A . n \nA 1 9 GLN 9 701 701 GLN GLN A . n \nA 1 10 ALA 10 702 702 ALA ALA A . n \nA 1 11 LEU 11 703 703 LEU LEU A . n \nA 1 12 LEU 12 704 704 LEU LEU A . n \nA 1 13 ARG 13 705 705 ARG ARG A . n \nA 1 14 ILE 14 706 706 ILE ILE A . n \nA 1 15 LEU 15 707 707 LEU LEU A . n \nA 1 16 LYS 16 708 708 LYS LYS A . n \nA 1 17 GLU 17 709 709 GLU GLU A . n \nA 1 18 THR 18 710 710 THR THR A . n \nA 1 19 GLU 19 711 711 GLU GLU A . n \nA 1 20 PHE 20 712 712 PHE PHE A . n \nA 1 21 LYS 21 713 713 LYS LYS A . n \nA 1 22 LYS 22 714 714 LYS LYS A . n \nA 1 23 ILE 23 715 715 ILE ILE A . n \nA 1 24 LYS 24 716 716 LYS LYS A . n \nA 1 25 VAL 25 717 717 VAL VAL A . n \nA 1 26 LEU 26 718 718 LEU LEU A . n \nA 1 27 GLY 27 719 719 GLY GLY A . n \nA 1 28 SER 28 720 720 SER SER A . n \nA 1 29 GLY 29 721 721 GLY GLY A . n \nA 1 30 ALA 30 722 722 ALA ALA A . n \nA 1 31 PHE 31 723 723 PHE PHE A . n \nA 1 32 GLY 32 724 724 GLY GLY A . n \nA 1 33 THR 33 725 725 THR THR A . n \nA 1 34 VAL 34 726 726 VAL VAL A . n \nA 1 35 TYR 35 727 727 TYR TYR A . n \nA 1 36 LYS 36 728 728 LYS LYS A . n \nA 1 37 GLY 37 729 729 GLY GLY A . n \nA 1 38 LEU 38 730 730 LEU LEU A . n \nA 1 39 TRP 39 731 731 TRP TRP A . n \nA 1 40 ILE 40 732 732 ILE ILE A . n \nA 1 41 PRO 41 733 733 PRO PRO A . n \nA 1 42 GLU 42 734 734 GLU GLU A . n \nA 1 43 GLY 43 735 735 GLY GLY A . n \nA 1 44 GLU 44 736 736 GLU GLU A . n \nA 1 45 LYS 45 737 737 LYS LYS A . n \nA 1 46 VAL 46 738 738 VAL VAL A . n \nA 1 47 LYS 47 739 739 LYS LYS A . n \nA 1 48 ILE 48 740 740 ILE ILE A . n \nA 1 49 PRO 49 741 741 PRO PRO A . n \nA 1 50 VAL 50 742 742 VAL VAL A . n \nA 1 51 ALA 51 743 743 ALA ALA A . n \nA 1 52 ILE 52 744 744 ILE ILE A . n \nA 1 53 LYS 53 745 745 LYS LYS A . n \nA 1 54 GLU 54 746 746 GLU GLU A . n \nA 1 55 LEU 55 747 747 LEU LEU A . n \nA 1 56 ARG 56 748 748 ARG ARG A . n \nA 1 57 GLU 57 749 749 GLU GLU A . n \nA 1 58 ALA 58 750 750 ALA ALA A . n \nA 1 59 THR 59 751 751 THR THR A . n \nA 1 60 SER 60 752 752 SER SER A . n \nA 1 61 PRO 61 753 753 PRO PRO A . n \nA 1 62 LYS 62 754 754 LYS LYS A . n \nA 1 63 ALA 63 755 755 ALA ALA A . n \nA 1 64 ASN 64 756 756 ASN ASN A . n \nA 1 65 LYS 65 757 757 LYS LYS A . n \nA 1 66 GLU 66 758 758 GLU GLU A . n \nA 1 67 ILE 67 759 759 ILE ILE A . n \nA 1 68 LEU 68 760 760 LEU LEU A . n \nA 1 69 ASP 69 761 761 ASP ASP A . n \nA 1 70 GLU 70 762 762 GLU GLU A . n \nA 1 71 ALA 71 763 763 ALA ALA A . n \nA 1 72 TYR 72 764 764 TYR TYR A . n \nA 1 73 VAL 73 765 765 VAL VAL A . n \nA 1 74 MET 74 766 766 MET MET A . n \nA 1 75 ALA 75 767 767 ALA ALA A . n \nA 1 76 SER 76 768 768 SER SER A . n \nA 1 77 VAL 77 769 769 VAL VAL A . n \nA 1 78 ASP 78 770 770 ASP ASP A . n \nA 1 79 ASN 79 771 771 ASN ASN A . n \nA 1 80 PRO 80 772 772 PRO PRO A . n \nA 1 81 HIS 81 773 773 HIS HIS A . n \nA 1 82 VAL 82 774 774 VAL VAL A . n \nA 1 83 CYS 83 775 775 CYS CYS A . n \nA 1 84 ARG 84 776 776 ARG ARG A . n \nA 1 85 LEU 85 777 777 LEU LEU A . n \nA 1 86 LEU 86 778 778 LEU LEU A . n \nA 1 87 GLY 87 779 779 GLY GLY A . n \nA 1 88 ILE 88 780 780 ILE ILE A . n \nA 1 89 CYS 89 781 781 CYS CYS A . n \nA 1 90 LEU 90 782 782 LEU LEU A . n \nA 1 91 THR 91 783 783 THR THR A . n \nA 1 92 SER 92 784 784 SER SER A . n \nA 1 93 THR 93 785 785 THR THR A . n \nA 1 94 VAL 94 786 786 VAL VAL A . n \nA 1 95 GLN 95 787 787 GLN GLN A . n \nA 1 96 LEU 96 788 788 LEU LEU A . n \nA 1 97 ILE 97 789 789 ILE ILE A . n \nA 1 98 THR 98 790 790 THR THR A . n \nA 1 99 GLN 99 791 791 GLN GLN A . n \nA 1 100 LEU 100 792 792 LEU LEU A . n \nA 1 101 MET 101 793 793 MET MET A . n \nA 1 102 PRO 102 794 794 PRO PRO A . n \nA 1 103 PHE 103 795 795 PHE PHE A . n \nA 1 104 GLY 104 796 796 GLY GLY A . n \nA 1 105 CYS 105 797 797 CYS CYS A . n \nA 1 106 LEU 106 798 798 LEU LEU A . n \nA 1 107 LEU 107 799 799 LEU LEU A . n \nA 1 108 ASP 108 800 800 ASP ASP A . n \nA 1 109 TYR 109 801 801 TYR TYR A . n \nA 1 110 VAL 110 802 802 VAL VAL A . n \nA 1 111 ARG 111 803 803 ARG ARG A . n \nA 1 112 GLU 112 804 804 GLU GLU A . n \nA 1 113 HIS 113 805 805 HIS HIS A . n \nA 1 114 LYS 114 806 806 LYS LYS A . n \nA 1 115 ASP 115 807 807 ASP ASP A . n \nA 1 116 ASN 116 808 808 ASN ASN A . n \nA 1 117 ILE 117 809 809 ILE ILE A . n \nA 1 118 GLY 118 810 810 GLY GLY A . n \nA 1 119 SER 119 811 811 SER SER A . n \nA 1 120 GLN 120 812 812 GLN GLN A . n \nA 1 121 TYR 121 813 813 TYR TYR A . n \nA 1 122 LEU 122 814 814 LEU LEU A . n \nA 1 123 LEU 123 815 815 LEU LEU A . n \nA 1 124 ASN 124 816 816 ASN ASN A . n \nA 1 125 TRP 125 817 817 TRP TRP A . n \nA 1 126 CYS 126 818 818 CYS CYS A . n \nA 1 127 VAL 127 819 819 VAL VAL A . n \nA 1 128 GLN 128 820 820 GLN GLN A . n \nA 1 129 ILE 129 821 821 ILE ILE A . n \nA 1 130 ALA 130 822 822 ALA ALA A . n \nA 1 131 LYS 131 823 823 LYS LYS A . n \nA 1 132 GLY 132 824 824 GLY GLY A . n \nA 1 133 MET 133 825 825 MET MET A . n \nA 1 134 ASN 134 826 826 ASN ASN A . n \nA 1 135 TYR 135 827 827 TYR TYR A . n \nA 1 136 LEU 136 828 828 LEU LEU A . n \nA 1 137 GLU 137 829 829 GLU GLU A . n \nA 1 138 ASP 138 830 830 ASP ASP A . n \nA 1 139 ARG 139 831 831 ARG ARG A . n \nA 1 140 ARG 140 832 832 ARG ARG A . n \nA 1 141 LEU 141 833 833 LEU LEU A . n \nA 1 142 VAL 142 834 834 VAL VAL A . n \nA 1 143 HIS 143 835 835 HIS HIS A . n \nA 1 144 ARG 144 836 836 ARG ARG A . n \nA 1 145 ASP 145 837 837 ASP ASP A . n \nA 1 146 LEU 146 838 838 LEU LEU A . n \nA 1 147 ALA 147 839 839 ALA ALA A . n \nA 1 148 ALA 148 840 840 ALA ALA A . n \nA 1 149 ARG 149 841 841 ARG ARG A . n \nA 1 150 ASN 150 842 842 ASN ASN A . n \nA 1 151 VAL 151 843 843 VAL VAL A . n \nA 1 152 LEU 152 844 844 LEU LEU A . n \nA 1 153 VAL 153 845 845 VAL VAL A . n \nA 1 154 LYS 154 846 846 LYS LYS A . n \nA 1 155 THR 155 847 847 THR THR A . n \nA 1 156 PRO 156 848 848 PRO PRO A . n \nA 1 157 GLN 157 849 849 GLN GLN A . n \nA 1 158 HIS 158 850 850 HIS HIS A . n \nA 1 159 VAL 159 851 851 VAL VAL A . n \nA 1 160 LYS 160 852 852 LYS LYS A . n \nA 1 161 ILE 161 853 853 ILE ILE A . n \nA 1 162 THR 162 854 854 THR THR A . n \nA 1 163 ASP 163 855 855 ASP ASP A . n \nA 1 164 PHE 164 856 856 PHE PHE A . n \nA 1 165 GLY 165 857 857 GLY GLY A . n \nA 1 166 LEU 166 858 858 LEU LEU A . n \nA 1 167 ALA 167 859 859 ALA ALA A . n \nA 1 168 LYS 168 860 860 LYS LYS A . n \nA 1 169 LEU 169 861 861 LEU LEU A . n \nA 1 170 LEU 170 862 862 LEU LEU A . n \nA 1 171 GLY 171 863 863 GLY GLY A . n \nA 1 172 ALA 172 864 864 ALA ALA A . n \nA 1 173 GLU 173 865 865 GLU GLU A . n \nA 1 174 GLU 174 866 866 GLU GLU A . n \nA 1 175 LYS 175 867 867 LYS LYS A . n \nA 1 176 GLU 176 868 868 GLU GLU A . n \nA 1 177 TYR 177 869 869 TYR TYR A . n \nA 1 178 HIS 178 870 870 HIS HIS A . n \nA 1 179 ALA 179 871 871 ALA ALA A . n \nA 1 180 GLU 180 872 872 GLU GLU A . n \nA 1 181 GLY 181 873 873 GLY GLY A . n \nA 1 182 GLY 182 874 874 GLY GLY A . n \nA 1 183 LYS 183 875 875 LYS LYS A . n \nA 1 184 VAL 184 876 876 VAL VAL A . n \nA 1 185 PRO 185 877 877 PRO PRO A . n \nA 1 186 ILE 186 878 878 ILE ILE A . n \nA 1 187 LYS 187 879 879 LYS LYS A . n \nA 1 188 TRP 188 880 880 TRP TRP A . n \nA 1 189 MET 189 881 881 MET MET A . n \nA 1 190 ALA 190 882 882 ALA ALA A . n \nA 1 191 LEU 191 883 883 LEU LEU A . n \nA 1 192 GLU 192 884 884 GLU GLU A . n \nA 1 193 SER 193 885 885 SER SER A . n \nA 1 194 ILE 194 886 886 ILE ILE A . n \nA 1 195 LEU 195 887 887 LEU LEU A . n \nA 1 196 HIS 196 888 888 HIS HIS A . n \nA 1 197 ARG 197 889 889 ARG ARG A . n \nA 1 198 ILE 198 890 890 ILE ILE A . n \nA 1 199 TYR 199 891 891 TYR TYR A . n \nA 1 200 THR 200 892 892 THR THR A . n \nA 1 201 HIS 201 893 893 HIS HIS A . n \nA 1 202 GLN 202 894 894 GLN GLN A . n \nA 1 203 SER 203 895 895 SER SER A . n \nA 1 204 ASP 204 896 896 ASP ASP A . n \nA 1 205 VAL 205 897 897 VAL VAL A . n \nA 1 206 TRP 206 898 898 TRP TRP A . n \nA 1 207 SER 207 899 899 SER SER A . n \nA 1 208 TYR 208 900 900 TYR TYR A . n \nA 1 209 GLY 209 901 901 GLY GLY A . n \nA 1 210 VAL 210 902 902 VAL VAL A . n \nA 1 211 THR 211 903 903 THR THR A . n \nA 1 212 VAL 212 904 904 VAL VAL A . n \nA 1 213 TRP 213 905 905 TRP TRP A . n \nA 1 214 GLU 214 906 906 GLU GLU A . n \nA 1 215 LEU 215 907 907 LEU LEU A . n \nA 1 216 MET 216 908 908 MET MET A . n \nA 1 217 THR 217 909 909 THR THR A . n \nA 1 218 PHE 218 910 910 PHE PHE A . n \nA 1 219 GLY 219 911 911 GLY GLY A . n \nA 1 220 SER 220 912 912 SER SER A . n \nA 1 221 LYS 221 913 913 LYS LYS A . n \nA 1 222 PRO 222 914 914 PRO PRO A . n \nA 1 223 TYR 223 915 915 TYR TYR A . n \nA 1 224 ASP 224 916 916 ASP ASP A . n \nA 1 225 GLY 225 917 917 GLY GLY A . n \nA 1 226 ILE 226 918 918 ILE ILE A . n \nA 1 227 PRO 227 919 919 PRO PRO A . n \nA 1 228 ALA 228 920 920 ALA ALA A . n \nA 1 229 SER 229 921 921 SER SER A . n \nA 1 230 GLU 230 922 922 GLU GLU A . n \nA 1 231 ILE 231 923 923 ILE ILE A . n \nA 1 232 SER 232 924 924 SER SER A . n \nA 1 233 SER 233 925 925 SER SER A . n \nA 1 234 ILE 234 926 926 ILE ILE A . n \nA 1 235 LEU 235 927 927 LEU LEU A . n \nA 1 236 GLU 236 928 928 GLU GLU A . n \nA 1 237 LYS 237 929 929 LYS LYS A . n \nA 1 238 GLY 238 930 930 GLY GLY A . n \nA 1 239 GLU 239 931 931 GLU GLU A . n \nA 1 240 ARG 240 932 932 ARG ARG A . n \nA 1 241 LEU 241 933 933 LEU LEU A . n \nA 1 242 PRO 242 934 934 PRO PRO A . n \nA 1 243 GLN 243 935 935 GLN GLN A . n \nA 1 244 PRO 244 936 936 PRO PRO A . n \nA 1 245 PRO 245 937 937 PRO PRO A . n \nA 1 246 ILE 246 938 938 ILE ILE A . n \nA 1 247 CYS 247 939 939 CYS CYS A . n \nA 1 248 THR 248 940 940 THR THR A . n \nA 1 249 ILE 249 941 941 ILE ILE A . n \nA 1 250 ASP 250 942 942 ASP ASP A . n \nA 1 251 VAL 251 943 943 VAL VAL A . n \nA 1 252 TYR 252 944 944 TYR TYR A . n \nA 1 253 MET 253 945 945 MET MET A . n \nA 1 254 ILE 254 946 946 ILE ILE A . n \nA 1 255 MET 255 947 947 MET MET A . n \nA 1 256 VAL 256 948 948 VAL VAL A . n \nA 1 257 LYS 257 949 949 LYS LYS A . n \nA 1 258 CYS 258 950 950 CYS CYS A . n \nA 1 259 TRP 259 951 951 TRP TRP A . n \nA 1 260 MET 260 952 952 MET MET A . n \nA 1 261 ILE 261 953 953 ILE ILE A . n \nA 1 262 ASP 262 954 954 ASP ASP A . n \nA 1 263 ALA 263 955 955 ALA ALA A . n \nA 1 264 ASP 264 956 956 ASP ASP A . n \nA 1 265 SER 265 957 957 SER SER A . n \nA 1 266 ARG 266 958 958 ARG ARG A . n \nA 1 267 PRO 267 959 959 PRO PRO A . n \nA 1 268 LYS 268 960 960 LYS LYS A . n \nA 1 269 PHE 269 961 961 PHE PHE A . n \nA 1 270 ARG 270 962 962 ARG ARG A . n \nA 1 271 GLU 271 963 963 GLU GLU A . n \nA 1 272 LEU 272 964 964 LEU LEU A . n \nA 1 273 ILE 273 965 965 ILE ILE A . n \nA 1 274 ILE 274 966 966 ILE ILE A . n \nA 1 275 GLU 275 967 967 GLU GLU A . n \nA 1 276 PHE 276 968 968 PHE PHE A . n \nA 1 277 SER 277 969 969 SER SER A . n \nA 1 278 LYS 278 970 970 LYS LYS A . n \nA 1 279 MET 279 971 971 MET MET A . n \nA 1 280 ALA 280 972 972 ALA ALA A . n \nA 1 281 ARG 281 973 973 ARG ARG A . n \nA 1 282 ASP 282 974 974 ASP ASP A . n \nA 1 283 PRO 283 975 975 PRO PRO A . n \nA 1 284 GLN 284 976 976 GLN GLN A . n \nA 1 285 ARG 285 977 977 ARG ARG A . n \nA 1 286 TYR 286 978 978 TYR TYR A . n \nA 1 287 LEU 287 979 979 LEU LEU A . n \nA 1 288 VAL 288 980 980 VAL VAL A . n \nA 1 289 ILE 289 981 981 ILE ILE A . n \nA 1 290 GLN 290 982 982 GLN GLN A . n \nA 1 291 GLY 291 983 983 GLY GLY A . n \nA 1 292 ASP 292 984 984 ASP ASP A . n \nA 1 293 GLU 293 985 985 GLU GLU A . n \nA 1 294 ARG 294 986 986 ARG ARG A . n \nA 1 295 MET 295 987 987 MET MET A . n \nA 1 296 HIS 296 988 988 HIS HIS A . n \nA 1 297 LEU 297 989 989 LEU LEU A . n \nA 1 298 PRO 298 990 990 PRO PRO A . n \nA 1 299 SER 299 991 991 SER SER A . n \nA 1 300 PRO 300 992 992 PRO PRO A . n \nA 1 301 THR 301 993 993 THR THR A . n \nA 1 302 ASP 302 994 994 ASP ASP A . n \nA 1 303 SER 303 995 995 SER SER A . n \nA 1 304 ASN 304 996 996 ASN ASN A . n \nA 1 305 PHE 305 997 997 PHE PHE A . n \nA 1 306 TYR 306 998 998 TYR TYR A . n \nA 1 307 ARG 307 999 999 ARG ARG A . n \nA 1 308 ALA 308 1000 1000 ALA ALA A . n \nA 1 309 LEU 309 1001 1001 LEU LEU A . n \nA 1 310 MET 310 1002 1002 MET MET A . n \nA 1 311 ASP 311 1003 1003 ASP ASP A . n \nA 1 312 GLU 312 1004 1004 GLU GLU A . n \nA 1 313 GLU 313 1005 1005 GLU GLU A . n \nA 1 314 ASP 314 1006 1006 ASP ASP A . n \nA 1 315 MET 315 1007 1007 MET MET A . n \nA 1 316 ASP 316 1008 1008 ASP ASP A . n \nA 1 317 ASP 317 1009 1009 ASP ASP A . n \nA 1 318 VAL 318 1010 1010 VAL VAL A . n \nA 1 319 VAL 319 1011 1011 VAL VAL A . n \nA 1 320 ASP 320 1012 1012 ASP ASP A . n \nA 1 321 ALA 321 1013 1013 ALA ALA A . n \nA 1 322 ASP 322 1014 1014 ASP ASP A . n \nA 1 323 GLU 323 1015 1015 GLU GLU A . n \nA 1 324 TYR 324 1016 1016 TYR TYR A . n \nA 1 325 LEU 325 1017 1017 LEU LEU A . n \nA 1 326 ILE 326 1018 ? ? ? A . n \nA 1 327 PRO 327 1019 ? ? ? A . n \nA 1 328 GLN 328 1020 ? ? ? A . n \nA 1 329 GLN 329 1021 ? ? ? A . n \nA 1 330 GLY 330 1022 ? ? ? A . n \n# \n_pdbx_struct_assembly.id 1 \n_pdbx_struct_assembly.details author_and_software_defined_assembly \n_pdbx_struct_assembly.method_details PISA \n_pdbx_struct_assembly.oligomeric_details monomeric \n_pdbx_struct_assembly.oligomeric_count 1 \n# \n_pdbx_struct_assembly_gen.assembly_id 1 \n_pdbx_struct_assembly_gen.oper_expression 1 \n_pdbx_struct_assembly_gen.asym_id_list A,B,C,D \n# \n_pdbx_struct_oper_list.id 1 \n_pdbx_struct_oper_list.type 'identity operation' \n_pdbx_struct_oper_list.name 1_555 \n_pdbx_struct_oper_list.symmetry_operation x,y,z \n_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 \n_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 \n_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 \n_pdbx_struct_oper_list.vector[3] 0.0000000000 \n# \nloop_\n_pdbx_audit_revision_history.ordinal \n_pdbx_audit_revision_history.data_content_type \n_pdbx_audit_revision_history.major_revision \n_pdbx_audit_revision_history.minor_revision \n_pdbx_audit_revision_history.revision_date \n1 'Structure model' 1 0 2013-03-06 \n2 'Structure model' 1 1 2013-08-14 \n# \n_pdbx_audit_revision_details.ordinal 1 \n_pdbx_audit_revision_details.revision_ordinal 1 \n_pdbx_audit_revision_details.data_content_type 'Structure model' \n_pdbx_audit_revision_details.provider repository \n_pdbx_audit_revision_details.type 'Initial release' \n_pdbx_audit_revision_details.description ? \n# \n_pdbx_audit_revision_group.ordinal 1 \n_pdbx_audit_revision_group.revision_ordinal 2 \n_pdbx_audit_revision_group.data_content_type 'Structure model' \n_pdbx_audit_revision_group.group 'Database references' \n# \n_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' \n_pdbx_refine_tls.id 1 \n_pdbx_refine_tls.details ? \n_pdbx_refine_tls.method refined \n_pdbx_refine_tls.origin_x 18.7873 \n_pdbx_refine_tls.origin_y 25.9155 \n_pdbx_refine_tls.origin_z 14.3167 \n_pdbx_refine_tls.T[1][1] 0.0200 \n_pdbx_refine_tls.T[2][2] 0.0753 \n_pdbx_refine_tls.T[3][3] 0.1267 \n_pdbx_refine_tls.T[1][2] 0.0062 \n_pdbx_refine_tls.T[1][3] 0.0065 \n_pdbx_refine_tls.T[2][3] -0.0066 \n_pdbx_refine_tls.L[1][1] 0.1474 \n_pdbx_refine_tls.L[2][2] 0.8224 \n_pdbx_refine_tls.L[3][3] 0.5626 \n_pdbx_refine_tls.L[1][2] 0.1030 \n_pdbx_refine_tls.L[1][3] 0.2626 \n_pdbx_refine_tls.L[2][3] -0.0418 \n_pdbx_refine_tls.S[1][1] -0.0344 \n_pdbx_refine_tls.S[1][2] -0.0030 \n_pdbx_refine_tls.S[1][3] -0.0099 \n_pdbx_refine_tls.S[2][1] 0.0695 \n_pdbx_refine_tls.S[2][2] 0.0195 \n_pdbx_refine_tls.S[2][3] 0.0685 \n_pdbx_refine_tls.S[3][1] -0.0921 \n_pdbx_refine_tls.S[3][2] -0.0269 \n_pdbx_refine_tls.S[3][3] 0.0149 \n# \nloop_\n_pdbx_refine_tls_group.pdbx_refine_id \n_pdbx_refine_tls_group.id \n_pdbx_refine_tls_group.refine_tls_id \n_pdbx_refine_tls_group.beg_auth_asym_id \n_pdbx_refine_tls_group.beg_auth_seq_id \n_pdbx_refine_tls_group.beg_label_asym_id \n_pdbx_refine_tls_group.beg_label_seq_id \n_pdbx_refine_tls_group.end_auth_asym_id \n_pdbx_refine_tls_group.end_auth_seq_id \n_pdbx_refine_tls_group.end_label_asym_id \n_pdbx_refine_tls_group.end_label_seq_id \n_pdbx_refine_tls_group.selection \n_pdbx_refine_tls_group.selection_details \n'X-RAY DIFFRACTION' 1 1 A 701 ? ? A 1017 ? ? ? ? \n'X-RAY DIFFRACTION' 2 1 A 1101 ? ? A 1101 ? ? ? ? \n# \nloop_\n_software.name \n_software.classification \n_software.version \n_software.citation_id \n_software.pdbx_ordinal \nADSC 'data collection' Quantum ? 1 \nMOLREP phasing . ? 2 \nREFMAC refinement 5.7.0029 ? 3 \nHKL-2000 'data reduction' . ? 4 \nHKL-2000 'data scaling' . ? 5 \n# \nloop_\n_pdbx_validate_torsion.id \n_pdbx_validate_torsion.PDB_model_num \n_pdbx_validate_torsion.auth_comp_id \n_pdbx_validate_torsion.auth_asym_id \n_pdbx_validate_torsion.auth_seq_id \n_pdbx_validate_torsion.PDB_ins_code \n_pdbx_validate_torsion.label_alt_id \n_pdbx_validate_torsion.phi \n_pdbx_validate_torsion.psi \n1 1 LEU A 718 ? ? -97.29 -61.72 \n2 1 THR A 783 ? ? -137.24 -130.68 \n3 1 ARG A 836 ? ? 76.05 -4.36 \n4 1 ASP A 837 ? ? -148.74 39.52 \n5 1 ARG A 986 ? ? -100.19 60.75 \n6 1 ASP A 1008 ? ? -70.75 -90.39 \n# \nloop_\n_pdbx_unobs_or_zero_occ_residues.id \n_pdbx_unobs_or_zero_occ_residues.PDB_model_num \n_pdbx_unobs_or_zero_occ_residues.polymer_flag \n_pdbx_unobs_or_zero_occ_residues.occupancy_flag \n_pdbx_unobs_or_zero_occ_residues.auth_asym_id \n_pdbx_unobs_or_zero_occ_residues.auth_comp_id \n_pdbx_unobs_or_zero_occ_residues.auth_seq_id \n_pdbx_unobs_or_zero_occ_residues.PDB_ins_code \n_pdbx_unobs_or_zero_occ_residues.label_asym_id \n_pdbx_unobs_or_zero_occ_residues.label_comp_id \n_pdbx_unobs_or_zero_occ_residues.label_seq_id \n1 1 Y 1 A GLY 693 ? A GLY 1 \n2 1 Y 1 A ALA 694 ? A ALA 2 \n3 1 Y 1 A MET 695 ? A MET 3 \n4 1 Y 1 A GLY 696 ? A GLY 4 \n5 1 Y 1 A GLU 697 ? A GLU 5 \n6 1 Y 1 A ALA 698 ? A ALA 6 \n7 1 Y 1 A PRO 699 ? A PRO 7 \n8 1 Y 1 A ASN 700 ? A ASN 8 \n9 1 Y 1 A ILE 1018 ? A ILE 326 \n10 1 Y 1 A PRO 1019 ? A PRO 327 \n11 1 Y 1 A GLN 1020 ? A GLN 328 \n12 1 Y 1 A GLN 1021 ? A GLN 329 \n13 1 Y 1 A GLY 1022 ? A GLY 330 \n# \nloop_\n_pdbx_entity_nonpoly.entity_id \n_pdbx_entity_nonpoly.name \n_pdbx_entity_nonpoly.comp_id \n2 \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\nW32 \n3 'SULFATE ION' SO4 \n4 water HOH \n# \nloop_\n_pdbx_nonpoly_scheme.asym_id \n_pdbx_nonpoly_scheme.entity_id \n_pdbx_nonpoly_scheme.mon_id \n_pdbx_nonpoly_scheme.ndb_seq_num \n_pdbx_nonpoly_scheme.pdb_seq_num \n_pdbx_nonpoly_scheme.auth_seq_num \n_pdbx_nonpoly_scheme.pdb_mon_id \n_pdbx_nonpoly_scheme.auth_mon_id \n_pdbx_nonpoly_scheme.pdb_strand_id \n_pdbx_nonpoly_scheme.pdb_ins_code \nB 2 W32 1 1101 1101 W32 LIG A . \nC 3 SO4 1 1102 1102 SO4 SO4 A . \nD 4 HOH 1 2001 2001 HOH HOH A . \nD 4 HOH 2 2002 2002 HOH HOH A . \nD 4 HOH 3 2003 2003 HOH HOH A . \nD 4 HOH 4 2004 2004 HOH HOH A . \nD 4 HOH 5 2005 2005 HOH HOH A . \nD 4 HOH 6 2006 2006 HOH HOH A . \nD 4 HOH 7 2007 2007 HOH HOH A . \nD 4 HOH 8 2008 2008 HOH HOH A . \nD 4 HOH 9 2009 2009 HOH HOH A . \nD 4 HOH 10 2010 2010 HOH HOH A . \nD 4 HOH 11 2011 2011 HOH HOH A . \nD 4 HOH 12 2012 2012 HOH HOH A . \nD 4 HOH 13 2013 2013 HOH HOH A . \nD 4 HOH 14 2014 2014 HOH HOH A . \nD 4 HOH 15 2015 2015 HOH HOH A . \nD 4 HOH 16 2016 2016 HOH HOH A . \nD 4 HOH 17 2017 2017 HOH HOH A . \nD 4 HOH 18 2018 2018 HOH HOH A . \nD 4 HOH 19 2019 2019 HOH HOH A . \nD 4 HOH 20 2020 2020 HOH HOH A . \nD 4 HOH 21 2021 2021 HOH HOH A . \nD 4 HOH 22 2022 2022 HOH HOH A . \nD 4 HOH 23 2023 2023 HOH HOH A . \nD 4 HOH 24 2024 2024 HOH HOH A . \nD 4 HOH 25 2025 2025 HOH HOH A . \nD 4 HOH 26 2026 2026 HOH HOH A . \nD 4 HOH 27 2027 2027 HOH HOH A . \nD 4 HOH 28 2028 2028 HOH HOH A . \nD 4 HOH 29 2029 2029 HOH HOH A . \nD 4 HOH 30 2030 2030 HOH HOH A . \nD 4 HOH 31 2031 2031 HOH HOH A . \nD 4 HOH 32 2032 2032 HOH HOH A . \nD 4 HOH 33 2033 2033 HOH HOH A . \nD 4 HOH 34 2034 2034 HOH HOH A . \nD 4 HOH 35 2035 2035 HOH HOH A . \nD 4 HOH 36 2036 2036 HOH HOH A . \nD 4 HOH 37 2037 2037 HOH HOH A . \nD 4 HOH 38 2038 2038 HOH HOH A . \nD 4 HOH 39 2039 2039 HOH HOH A . \nD 4 HOH 40 2040 2040 HOH HOH A . \nD 4 HOH 41 2041 2041 HOH HOH A . \nD 4 HOH 42 2042 2042 HOH HOH A . \nD 4 HOH 43 2043 2043 HOH HOH A . \nD 4 HOH 44 2044 2044 HOH HOH A . \nD 4 HOH 45 2045 2045 HOH HOH A . \nD 4 HOH 46 2046 2046 HOH HOH A . \nD 4 HOH 47 2047 2047 HOH HOH A . \nD 4 HOH 48 2048 2048 HOH HOH A . \nD 4 HOH 49 2049 2049 HOH HOH A . \nD 4 HOH 50 2050 2050 HOH HOH A . \nD 4 HOH 51 2051 2051 HOH HOH A . \nD 4 HOH 52 2052 2052 HOH HOH A . \nD 4 HOH 53 2053 2053 HOH HOH A . \nD 4 HOH 54 2054 2054 HOH HOH A . \nD 4 HOH 55 2055 2055 HOH HOH A . \nD 4 HOH 56 2056 2056 HOH HOH A . \nD 4 HOH 57 2057 2057 HOH HOH A . \nD 4 HOH 58 2058 2058 HOH HOH A . \nD 4 HOH 59 2059 2059 HOH HOH A . \nD 4 HOH 60 2060 2060 HOH HOH A . \nD 4 HOH 61 2061 2061 HOH HOH A . \nD 4 HOH 62 2062 2062 HOH HOH A . \nD 4 HOH 63 2063 2063 HOH HOH A . \nD 4 HOH 64 2064 2064 HOH HOH A . \nD 4 HOH 65 2065 2065 HOH HOH A . \nD 4 HOH 66 2066 2066 HOH HOH A . \nD 4 HOH 67 2067 2067 HOH HOH A . \nD 4 HOH 68 2068 2068 HOH HOH A . \nD 4 HOH 69 2069 2069 HOH HOH A . \nD 4 HOH 70 2070 2070 HOH HOH A . \nD 4 HOH 71 2071 2071 HOH HOH A . \nD 4 HOH 72 2072 2072 HOH HOH A . \nD 4 HOH 73 2073 2073 HOH HOH A . \nD 4 HOH 74 2074 2074 HOH HOH A . \nD 4 HOH 75 2075 2075 HOH HOH A . \nD 4 HOH 76 2076 2076 HOH HOH A . \nD 4 HOH 77 2077 2077 HOH HOH A . \nD 4 HOH 78 2078 2078 HOH HOH A . \nD 4 HOH 79 2079 2079 HOH HOH A . \nD 4 HOH 80 2080 2080 HOH HOH A . \nD 4 HOH 81 2081 2081 HOH HOH A . \nD 4 HOH 82 2082 2082 HOH HOH A . \n# \n",
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+ "data": "HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-DEC-12 3W32\nTITLE MDANALYSIS FRAME 0: Created by PDBWriter\nCOMPND MOL_ID: 1;\nCOMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR;\nCOMPND 3 CHAIN: A;\nCOMPND 4 FRAGMENT: KINASE DOMAIN, UNP RESIDUES 696-1022;\nCOMPND 5 SYNONYM: PROTO-ONCOGENE C-ERBB-1, RECEPTOR TYROSINE-PROTEIN KINASE\nCOMPND 6 ERBB-1;\nCOMPND 7 EC: 2.7.10.1;\nCOMPND 8 ENGINEERED: YES\nREMARK 2\nREMARK 2 RESOLUTION. 1.80 ANGSTROMS.\nREMARK 3\nREMARK 3 REFINEMENT.\nREMARK 3 PROGRAM : REFMAC 5.7.0029\nREMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON\nREMARK 3\nREMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD\nREMARK 3\nREMARK 3 DATA USED IN REFINEMENT.\nREMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80\nREMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00\nREMARK 3 DATA CUTOFF (SIGMA(F)) : NULL\nREMARK 3 COMPLETENESS FOR RANGE (%) : 99.0\nREMARK 3 NUMBER OF REFLECTIONS : 29096\nREMARK 3\nREMARK 3 FIT TO DATA USED IN REFINEMENT.\nREMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT\nREMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM\nREMARK 3 R VALUE (WORKING + TEST SET) : 0.202\nREMARK 3 R VALUE (WORKING SET) : 0.200\nREMARK 3 FREE R VALUE : 0.236\nREMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000\nREMARK 3 FREE R VALUE TEST SET COUNT : 1539\nREMARK 3\nREMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.\nREMARK 3 TOTAL NUMBER OF BINS USED : 20\nREMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80\nREMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85\nREMARK 3 REFLECTION IN BIN (WORKING SET) : 2043\nREMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.73\nREMARK 3 BIN R VALUE (WORKING SET) : 0.3070\nREMARK 3 BIN FREE R VALUE SET COUNT : 110\nREMARK 3 BIN FREE R VALUE : 0.3440\nREMARK 3\nREMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.\nREMARK 3 PROTEIN ATOMS : 2545\nREMARK 3 NUCLEIC ACID ATOMS : 0\nREMARK 3 HETEROGEN ATOMS : 44\nREMARK 3 SOLVENT ATOMS : 82\nREMARK 3\nREMARK 3 B VALUES.\nREMARK 3 FROM WILSON PLOT (A**2) : NULL\nREMARK 3 MEAN B VALUE (OVERALL, A**2) : 46.45\nREMARK 3 OVERALL ANISOTROPIC B VALUE.\nREMARK 3 B11 (A**2) : 3.86000\nREMARK 3 B22 (A**2) : 0.11000\nREMARK 3 B33 (A**2) : -3.97000\nREMARK 3 B12 (A**2) : -0.00000\nREMARK 3 B13 (A**2) : -0.00000\nREMARK 3 B23 (A**2) : -0.00000\nREMARK 3\nREMARK 3 ESTIMATED OVERALL COORDINATE ERROR.\nREMARK 3 ESU BASED ON R VALUE (A): 0.141\nREMARK 3 ESU BASED ON FREE R VALUE (A): 0.131\nREMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.103\nREMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.930\nREMARK 3\nREMARK 3 CORRELATION COEFFICIENTS.\nREMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962\nREMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.943\nREMARK 3\nREMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT\nREMARK 3 BOND LENGTHS REFINED ATOMS (A): 2647 ; 0.009 ; 0.019\nREMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3587 ; 1.362 ; 1.995\nREMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL\nREMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 316 ; 5.462 ; 5.000\nREMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 114 ;34.868 ;24.123\nREMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 481 ;14.009 ;15.000\nREMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;16.236 ;15.000\nREMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 393 ; 0.092 ; 0.200\nREMARK 3 GENERAL PLANES REFINED ATOMS (A): 2017 ; 0.006 ; 0.021\nREMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 NCS RESTRAINTS STATISTICS\nREMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL\nREMARK 3\nREMARK 3 TLS DETAILS\nREMARK 3 NUMBER OF TLS GROUPS : 1\nREMARK 3\nREMARK 3 TLS GROUP : 1\nREMARK 3 NUMBER OF COMPONENTS GROUP : 2\nREMARK 3 COMPONENTS C SSSEQI TO C SSSEQI\nREMARK 3 RESIDUE RANGE : A 701 A 1017\nREMARK 3 RESIDUE RANGE : A 1101 A 1101\nREMARK 3 ORIGIN FOR THE GROUP (A): 18.7873 25.9155 14.3167\nREMARK 3 T TENSOR\nREMARK 3 T11: 0.0200 T22: 0.0753\nREMARK 3 T33: 0.1267 T12: 0.0062\nREMARK 3 T13: 0.0065 T23: -0.0066\nREMARK 3 L TENSOR\nREMARK 3 L11: 0.1474 L22: 0.8224\nREMARK 3 L33: 0.5626 L12: 0.1030\nREMARK 3 L13: 0.2626 L23: -0.0418\nREMARK 3 S TENSOR\nREMARK 3 S11: -0.0344 S12: -0.0030 S13: -0.0099\nREMARK 3 S21: 0.0695 S22: 0.0195 S23: 0.0685\nREMARK 3 S31: -0.0921 S32: -0.0269 S33: 0.0149\nREMARK 3\nREMARK 3 BULK SOLVENT MODELLING.\nREMARK 3 METHOD USED : MASK\nREMARK 3 PARAMETERS FOR MASK CALCULATION\nREMARK 3 VDW PROBE RADIUS : 1.40\nREMARK 3 ION PROBE RADIUS : 0.80\nREMARK 3 SHRINKAGE RADIUS : 0.80\nREMARK 3\nREMARK 3 OTHER REFINEMENT REMARKS: NULL\nREMARK 4\nREMARK 4 3W32 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11\nREMARK 100\nREMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-DEC-12.\nREMARK 100 THE RCSB ID CODE IS RCSB095823.\nREMARK 200\nREMARK 200 EXPERIMENTAL DETAILS\nREMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION\nREMARK 200 DATE OF DATA COLLECTION : 21-DEC-11\nREMARK 200 TEMPERATURE (KELVIN) : 100\nREMARK 200 PH : 5.5\nREMARK 200 NUMBER OF CRYSTALS USED : 1\nREMARK 200\nREMARK 200 SYNCHROTRON (Y/N) : Y\nREMARK 200 RADIATION SOURCE : ALS\nREMARK 200 BEAMLINE : 5.0.3\nREMARK 200 X-RAY GENERATOR MODEL : NULL\nREMARK 200 MONOCHROMATIC OR LAUE (M/L) : M\nREMARK 200 WAVELENGTH OR RANGE (A) : 0.97649\nREMARK 200 MONOCHROMATOR : NULL\nREMARK 200 OPTICS : NULL\nREMARK 200\nREMARK 200 DETECTOR TYPE : CCD\nREMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R\nREMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000\nREMARK 200 DATA SCALING SOFTWARE : HKL-2000\nREMARK 200\nREMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30817\nREMARK 200 RESOLUTION RANGE HIGH (A) : 1.800\nREMARK 200 RESOLUTION RANGE LOW (A) : 50.000\nREMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL\nREMARK 200\nREMARK 200 OVERALL.\nREMARK 200 COMPLETENESS FOR RANGE (%) : 99.7\nREMARK 200 DATA REDUNDANCY : 4.800\nREMARK 200 R MERGE (I) : NULL\nREMARK 200 R SYM (I) : 0.05400\nREMARK 200 FOR THE DATA SET : 26.1000\nREMARK 200\nREMARK 200 IN THE HIGHEST RESOLUTION SHELL.\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.83\nREMARK 200 COMPLETENESS FOR SHELL (%) : 99.9\nREMARK 200 DATA REDUNDANCY IN SHELL : 4.90\nREMARK 200 R MERGE FOR SHELL (I) : NULL\nREMARK 200 R SYM FOR SHELL (I) : 0.89800\nREMARK 200 FOR SHELL : 2.000\nREMARK 200\nREMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH\nREMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT\nREMARK 200 SOFTWARE USED: MOLREP\nREMARK 200 STARTING MODEL: 1XKK\nREMARK 200\nREMARK 200 REMARK: NULL\nREMARK 280\nREMARK 280 CRYSTAL\nREMARK 280 SOLVENT CONTENT, VS (%): 43.59\nREMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18\nREMARK 280\nREMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES, 0.2M LITHIUM SULFATE,\nREMARK 25%\nREMARK 280 PEG 3350, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE\nREMARK 298K\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY\nREMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21\nREMARK 290\nREMARK 290 SYMOP SYMMETRY\nREMARK 290 NNNMMM OPERATOR\nREMARK 290 1555 X,Y,Z\nREMARK 290 2555 -X+1/2,-Y,Z+1/2\nREMARK 290 3555 -X,Y+1/2,-Z+1/2\nREMARK 290 4555 X+1/2,-Y+1/2,-Z\nREMARK 290\nREMARK 290 WHERE NNN -> OPERATOR NUMBER\nREMARK 290 MMM -> TRANSLATION VECTOR\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS\nREMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM\nREMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY\nREMARK 290 RELATED MOLECULES.\nREMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.63650\nREMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.63650\nREMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000\nREMARK 290\nREMARK 290 REMARK: NULL\nREMARK 300\nREMARK 300 BIOMOLECULE: 1\nREMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM\nREMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN\nREMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON\nREMARK 300 BURIED SURFACE AREA.\nREMARK 350\nREMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN\nREMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE\nREMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS\nREMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND\nREMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.\nREMARK 350\nREMARK 350 BIOMOLECULE: 1\nREMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC\nREMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC\nREMARK 350 SOFTWARE USED: PISA\nREMARK 350 APPLY THE FOLLOWING TO CHAINS: A\nREMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 465\nREMARK 465 MISSING RESIDUES\nREMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE\nREMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN\nREMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)\nREMARK 465\nREMARK 465 M RES C SSSEQI\nREMARK 465 GLY A 693\nREMARK 465 ALA A 694\nREMARK 465 MET A 695\nREMARK 465 GLY A 696\nREMARK 465 GLU A 697\nREMARK 465 ALA A 698\nREMARK 465 PRO A 699\nREMARK 465 ASN A 700\nREMARK 465 ILE A 1018\nREMARK 465 PRO A 1019\nREMARK 465 GLN A 1020\nREMARK 465 GLN A 1021\nREMARK 465 GLY A 1022\nREMARK 500\nREMARK 500 GEOMETRY AND STEREOCHEMISTRY\nREMARK 500 SUBTOPIC: TORSION ANGLES\nREMARK 500\nREMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:\nREMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;\nREMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).\nREMARK 500\nREMARK 500 STANDARD TABLE:\nREMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)\nREMARK 500\nREMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-\nREMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400\nREMARK 500\nREMARK 500 M RES CSSEQI PSI PHI\nREMARK 500 LEU A 718 -61.72 -97.29\nREMARK 500 THR A 783 -130.68 -137.24\nREMARK 500 ARG A 836 -4.36 76.05\nREMARK 500 ASP A 837 39.52 -148.74\nREMARK 500 ARG A 986 60.75 -100.19\nREMARK 500 ASP A1008 -90.39 -70.75\nREMARK 500\nREMARK 500 REMARK: NULL\nREMARK 800\nREMARK 800 SITE\nREMARK 800 SITE_IDENTIFIER: AC1\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE W32 A 1101\nREMARK 800\nREMARK 800 SITE_IDENTIFIER: AC2\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1102\nREMARK 900\nREMARK 900 RELATED ENTRIES\nREMARK 900 RELATED ID: 3POZ RELATED DB: PDB\nREMARK 900 RELATED ID: 3W33 RELATED DB: PDB\nCRYST1 46.443 68.306 103.273 90.00 90.00 90.00 P 1 1\nATOM 1 N GLN A 701 -0.023 33.326 -4.411 1.00 47.95 A N\nATOM 2 CA GLN A 701 -0.291 31.978 -3.835 1.00 50.95 A C\nATOM 3 C GLN A 701 0.946 31.062 -3.957 1.00 47.20 A C\nATOM 4 O GLN A 701 0.876 29.863 -3.659 1.00 47.25 A O\nATOM 5 CB GLN A 701 -1.501 31.341 -4.517 1.00 64.85 A C\nATOM 6 CG GLN A 701 -2.441 30.619 -3.562 1.00 84.93 A C\nATOM 7 CD GLN A 701 -3.514 29.816 -4.282 1.00102.47 A C\nATOM 8 OE1 GLN A 701 -4.681 30.215 -4.329 1.00 95.64 A O\nATOM 9 NE2 GLN A 701 -3.123 28.679 -4.849 1.00100.38 A N\nATOM 10 N ALA A 702 2.069 31.642 -4.384 1.00 45.71 A N\nATOM 11 CA ALA A 702 3.343 30.929 -4.498 1.00 43.17 A C\nATOM 12 C ALA A 702 3.775 30.322 -3.161 1.00 47.99 A C\nATOM 13 O ALA A 702 3.538 30.924 -2.110 1.00 44.37 A O\nATOM 14 CB ALA A 702 4.416 31.882 -5.023 1.00 42.30 A C\nATOM 15 N LEU A 703 4.401 29.139 -3.199 1.00 38.24 A N\nATOM 16 CA LEU A 703 5.009 28.552 -2.003 1.00 37.89 A C\nATOM 17 C LEU A 703 6.142 29.430 -1.494 1.00 37.81 A C\nATOM 18 O LEU A 703 6.222 29.735 -0.302 1.00 39.19 A O\nATOM 19 CB LEU A 703 5.530 27.130 -2.289 1.00 36.07 A C\nATOM 20 CG LEU A 703 5.658 26.188 -1.082 1.00 46.85 A C\nATOM 21 CD1 LEU A 703 4.475 26.310 -0.125 1.00 49.71 A C\nATOM 22 CD2 LEU A 703 5.791 24.740 -1.541 1.00 44.12 A C\nATOM 23 N LEU A 704 7.016 29.822 -2.415 1.00 33.81 A N\nATOM 24 CA LEU A 704 8.054 30.799 -2.155 1.00 32.97 A C\nATOM 25 C LEU A 704 7.590 32.151 -2.677 1.00 34.88 A C\nATOM 26 O LEU A 704 7.644 32.424 -3.878 1.00 34.62 A O\nATOM 27 CB LEU A 704 9.371 30.386 -2.831 1.00 33.39 A C\nATOM 28 CG LEU A 704 10.591 31.295 -2.585 1.00 38.51 A C\nATOM 29 CD1 LEU A 704 10.953 31.361 -1.104 1.00 34.30 A C\nATOM 30 CD2 LEU A 704 11.796 30.854 -3.421 1.00 39.10 A C\nATOM 31 N ARG A 705 7.120 33.006 -1.775 1.00 35.37 A N\nATOM 32 CA ARG A 705 6.680 34.346 -2.183 1.00 37.73 A C\nATOM 33 C ARG A 705 7.840 35.253 -2.555 1.00 41.05 A C\nATOM 34 O ARG A 705 8.844 35.319 -1.838 1.00 40.80 A O\nATOM 35 CB ARG A 705 5.837 34.997 -1.093 1.00 46.62 A C\nATOM 36 CG ARG A 705 4.460 34.388 -0.965 1.00 48.65 A C\nATOM 37 CD ARG A 705 3.829 34.763 0.358 1.00 65.57 A C\nATOM 38 NE ARG A 705 2.514 35.377 0.173 1.00 86.68 A N\nATOM 39 CZ ARG A 705 1.353 34.757 0.356 1.00 93.12 A C\nATOM 40 NH1 ARG A 705 1.317 33.485 0.736 1.00 98.53 A N\nATOM 41 NH2 ARG A 705 0.220 35.417 0.161 1.00 92.67 A N\nATOM 42 N ILE A 706 7.698 35.943 -3.686 1.00 39.60 A N\nATOM 43 CA ILE A 706 8.700 36.898 -4.116 1.00 43.49 A C\nATOM 44 C ILE A 706 8.207 38.234 -3.610 1.00 47.29 A C\nATOM 45 O ILE A 706 7.260 38.798 -4.160 1.00 44.25 A O\nATOM 46 CB ILE A 706 8.837 36.961 -5.649 1.00 52.42 A C\nATOM 47 CG1 ILE A 706 9.004 35.559 -6.256 1.00 51.04 A C\nATOM 48 CG2 ILE A 706 9.975 37.897 -6.048 1.00 53.78 A C\nATOM 49 CD1 ILE A 706 10.122 34.729 -5.654 1.00 43.80 A C\nATOM 50 N LEU A 707 8.836 38.729 -2.552 1.00 44.78 A N\nATOM 51 CA LEU A 707 8.365 39.947 -1.911 1.00 45.23 A C\nATOM 52 C LEU A 707 9.109 41.154 -2.458 1.00 51.28 A C\nATOM 53 O LEU A 707 10.318 41.092 -2.692 1.00 49.23 A O\nATOM 54 CB LEU A 707 8.544 39.881 -0.391 1.00 47.65 A C\nATOM 55 CG LEU A 707 8.012 38.705 0.428 1.00 54.52 A C\nATOM 56 CD1 LEU A 707 8.324 38.928 1.896 1.00 43.38 A C\nATOM 57 CD2 LEU A 707 6.521 38.497 0.232 1.00 44.93 A C\nATOM 58 N LYS A 708 8.366 42.237 -2.676 1.00 49.18 A N\nATOM 59 CA LYS A 708 8.936 43.529 -3.035 1.00 61.50 A C\nATOM 60 C LYS A 708 9.393 44.224 -1.768 1.00 50.76 A C\nATOM 61 O LYS A 708 8.770 44.070 -0.717 1.00 45.43 A O\nATOM 62 CB LYS A 708 7.891 44.407 -3.729 1.00 62.24 A C\nATOM 63 CG LYS A 708 7.556 44.004 -5.157 1.00 77.38 A C\nATOM 64 CD LYS A 708 6.048 43.943 -5.381 1.00 92.20 A C\nATOM 65 CE LYS A 708 5.334 45.228 -4.984 1.00 96.25 A C\nATOM 66 NZ LYS A 708 3.853 45.097 -5.081 1.00100.00 A N\nATOM 67 N GLU A 709 10.473 44.994 -1.879 1.00 51.48 A N\nATOM 68 CA GLU A 709 11.019 45.768 -0.758 1.00 53.55 A C\nATOM 69 C GLU A 709 9.963 46.612 -0.044 1.00 57.51 A C\nATOM 70 O GLU A 709 10.016 46.795 1.175 1.00 53.23 A O\nATOM 71 CB GLU A 709 12.169 46.651 -1.235 1.00 59.31 A C\nATOM 72 CG GLU A 709 13.434 45.873 -1.562 1.00 72.06 A C\nATOM 73 CD GLU A 709 14.597 46.768 -1.940 1.00 93.68 A C\nATOM 74 OE1 GLU A 709 15.553 46.867 -1.141 1.00 83.68 A O\nATOM 75 OE2 GLU A 709 14.556 47.370 -3.037 1.00102.62 A O\nATOM 76 N THR A 710 9.000 47.113 -0.809 1.00 57.55 A N\nATOM 77 CA THR A 710 7.909 47.910 -0.252 1.00 61.28 A C\nATOM 78 C THR A 710 6.964 47.093 0.638 1.00 54.24 A C\nATOM 79 O THR A 710 6.198 47.661 1.416 1.00 57.81 A O\nATOM 80 CB THR A 710 7.093 48.606 -1.364 1.00 63.46 A C\nATOM 81 OG1 THR A 710 6.576 47.624 -2.275 1.00 63.38 A O\nATOM 82 CG2 THR A 710 7.958 49.614 -2.128 1.00 61.93 A C\nATOM 83 N GLU A 711 7.034 45.765 0.530 1.00 50.22 A N\nATOM 84 CA GLU A 711 6.124 44.862 1.239 1.00 56.68 A C\nATOM 85 C GLU A 711 6.551 44.536 2.659 1.00 57.72 A C\nATOM 86 O GLU A 711 5.754 44.024 3.451 1.00 52.39 A O\nATOM 87 CB GLU A 711 6.023 43.535 0.507 1.00 61.93 A C\nATOM 88 CG GLU A 711 5.118 43.514 -0.698 1.00 62.49 A C\nATOM 89 CD GLU A 711 5.016 42.116 -1.252 1.00 59.26 A C\nATOM 90 OE1 GLU A 711 5.574 41.880 -2.337 1.00 54.03 A O\nATOM 91 OE2 GLU A 711 4.413 41.250 -0.581 1.00 74.56 A O\nATOM 92 N PHE A 712 7.816 44.782 2.967 1.00 48.75 A N\nATOM 93 CA PHE A 712 8.343 44.449 4.291 1.00 54.26 A C\nATOM 94 C PHE A 712 9.321 45.508 4.795 1.00 45.27 A C\nATOM 95 O PHE A 712 9.920 46.235 4.000 1.00 48.92 A O\nATOM 96 CB PHE A 712 8.976 43.045 4.294 1.00 46.56 A C\nATOM 97 CG PHE A 712 10.222 42.928 3.457 1.00 42.91 A C\nATOM 98 CD1 PHE A 712 11.483 43.010 4.046 1.00 51.07 A C\nATOM 99 CD2 PHE A 712 10.147 42.734 2.077 1.00 46.22 A C\nATOM 100 CE1 PHE A 712 12.644 42.902 3.285 1.00 44.32 A C\nATOM 101 CE2 PHE A 712 11.308 42.632 1.312 1.00 42.45 A C\nATOM 102 CZ PHE A 712 12.558 42.714 1.917 1.00 46.72 A C\nATOM 103 N LYS A 713 9.481 45.577 6.115 1.00 46.12 A N\nATOM 104 CA LYS A 713 10.320 46.606 6.756 1.00 45.30 A C\nATOM 105 C LYS A 713 11.170 46.000 7.867 1.00 49.56 A C\nATOM 106 O LYS A 713 10.647 45.280 8.717 1.00 45.46 A O\nATOM 107 CB LYS A 713 9.456 47.720 7.356 1.00 49.90 A C\nATOM 108 CG LYS A 713 8.771 48.628 6.353 1.00 61.39 A C\nATOM 109 CD LYS A 713 7.824 49.599 7.050 1.00 81.27 A C\nATOM 110 CE LYS A 713 6.888 50.280 6.056 1.00 69.86 A C\nATOM 111 NZ LYS A 713 6.043 51.324 6.705 1.00 75.33 A N\nATOM 112 N LYS A 714 12.471 46.301 7.847 1.00 42.35 A N\nATOM 113 CA LYS A 714 13.389 45.951 8.930 1.00 46.11 A C\nATOM 114 C LYS A 714 13.160 46.943 10.061 1.00 49.85 A C\nATOM 115 O LYS A 714 13.256 48.154 9.856 1.00 46.66 A O\nATOM 116 CB LYS A 714 14.845 46.063 8.477 1.00 49.54 A C\nATOM 117 CG LYS A 714 15.287 45.129 7.369 1.00 53.76 A C\nATOM 118 CD LYS A 714 16.780 45.310 7.156 1.00 53.79 A C\nATOM 119 CE LYS A 714 17.258 44.686 5.862 1.00 52.83 A C\nATOM 120 NZ LYS A 714 16.787 45.457 4.676 1.00 51.68 A N\nATOM 121 N ILE A 715 12.852 46.439 11.251 1.00 41.67 A N\nATOM 122 CA ILE A 715 12.489 47.317 12.368 1.00 48.15 A C\nATOM 123 C ILE A 715 13.658 47.486 13.336 1.00 52.85 A C\nATOM 124 O ILE A 715 14.015 48.611 13.693 1.00 49.85 A O\nATOM 125 CB ILE A 715 11.191 46.843 13.061 1.00 41.49 A C\nATOM 126 CG1 ILE A 715 10.029 47.003 12.077 1.00 54.99 A C\nATOM 127 CG2 ILE A 715 10.918 47.629 14.339 1.00 47.96 A C\nATOM 128 CD1 ILE A 715 8.670 46.667 12.641 1.00 54.20 A C\nATOM 129 N LYS A 716 14.260 46.369 13.744 1.00 43.46 A N\nATOM 130 CA LYS A 716 15.429 46.392 14.621 1.00 42.49 A C\nATOM 131 C LYS A 716 16.392 45.271 14.247 1.00 45.76 A C\nATOM 132 O LYS A 716 15.983 44.237 13.719 1.00 37.65 A O\nATOM 133 CB LYS A 716 15.018 46.242 16.094 1.00 41.41 A C\nATOM 134 CG LYS A 716 14.316 47.443 16.710 1.00 50.17 A C\nATOM 135 CD LYS A 716 15.288 48.548 17.111 1.00 45.61 A C\nATOM 136 CE LYS A 716 14.606 49.912 17.154 1.00 50.59 A C\nATOM 137 NZ LYS A 716 13.715 50.066 18.332 1.00 57.19 A N\nATOM 138 N VAL A 717 17.673 45.475 14.541 1.00 41.16 A N\nATOM 139 CA VAL A 717 18.678 44.442 14.362 1.00 44.05 A C\nATOM 140 C VAL A 717 18.537 43.387 15.446 1.00 43.45 A C\nATOM 141 O VAL A 717 18.310 43.709 16.608 1.00 42.18 A O\nATOM 142 CB VAL A 717 20.107 45.009 14.449 1.00 51.16 A C\nATOM 143 CG1 VAL A 717 21.126 43.887 14.314 1.00 47.71 A C\nATOM 144 CG2 VAL A 717 20.336 46.059 13.379 1.00 50.70 A C\nATOM 145 N LEU A 718 18.670 42.119 15.068 1.00 37.54 A N\nATOM 146 CA LEU A 718 18.797 41.074 16.067 1.00 33.15 A C\nATOM 147 C LEU A 718 20.279 40.757 16.246 1.00 37.30 A C\nATOM 148 O LEU A 718 20.810 40.967 17.326 1.00 35.69 A O\nATOM 149 CB LEU A 718 17.938 39.850 15.721 1.00 36.59 A C\nATOM 150 CG LEU A 718 16.428 40.166 15.737 1.00 36.86 A C\nATOM 151 CD1 LEU A 718 15.544 39.021 15.239 1.00 37.85 A C\nATOM 152 CD2 LEU A 718 15.991 40.593 17.131 1.00 43.64 A C\nATOM 153 N GLY A 719 20.953 40.292 15.192 1.00 36.46 A N\nATOM 154 CA GLY A 719 22.388 39.991 15.276 1.00 44.27 A C\nATOM 155 C GLY A 719 23.000 39.439 14.002 1.00 57.08 A C\nATOM 156 O GLY A 719 22.282 39.077 13.066 1.00 53.06 A O\nATOM 157 N SER A 720 24.332 39.364 13.984 1.00 50.75 A N\nATOM 158 CA SER A 720 25.091 38.813 12.856 1.00 51.92 A C\nATOM 159 C SER A 720 25.623 37.404 13.118 1.00 49.94 A C\nATOM 160 O SER A 720 25.669 36.937 14.256 1.00 55.24 A O\nATOM 161 CB SER A 720 26.258 39.736 12.495 1.00 63.92 A C\nATOM 162 OG SER A 720 25.807 40.883 11.797 1.00 68.03 A O\nATOM 163 N GLY A 721 26.029 36.737 12.043 1.00 57.18 A N\nATOM 164 CA GLY A 721 26.598 35.399 12.113 1.00 57.01 A C\nATOM 165 C GLY A 721 27.510 35.199 10.922 1.00 63.27 A C\nATOM 166 O GLY A 721 27.672 36.108 10.098 1.00 61.34 A O\nATOM 167 N ALA A 722 28.107 34.012 10.835 1.00 71.41 A N\nATOM 168 CA ALA A 722 28.983 33.644 9.716 1.00 73.15 A C\nATOM 169 C ALA A 722 28.313 33.834 8.352 1.00 71.72 A C\nATOM 170 O ALA A 722 28.929 34.359 7.417 1.00 59.12 A O\nATOM 171 CB ALA A 722 29.472 32.207 9.870 1.00 75.65 A C\nATOM 172 N PHE A 723 27.048 33.425 8.245 1.00 55.28 A N\nATOM 173 CA PHE A 723 26.364 33.451 6.959 1.00 45.36 A C\nATOM 174 C PHE A 723 25.582 34.728 6.671 1.00 48.16 A C\nATOM 175 O PHE A 723 25.209 34.967 5.523 1.00 48.85 A O\nATOM 176 CB PHE A 723 25.478 32.207 6.773 1.00 54.29 A C\nATOM 177 CG PHE A 723 26.238 30.908 6.806 1.00 54.47 A C\nATOM 178 CD1 PHE A 723 25.767 29.831 7.558 1.00 50.67 A C\nATOM 179 CD2 PHE A 723 27.441 30.759 6.102 1.00 49.42 A C\nATOM 180 CE1 PHE A 723 26.475 28.635 7.608 1.00 55.72 A C\nATOM 181 CE2 PHE A 723 28.142 29.562 6.141 1.00 43.55 A C\nATOM 182 CZ PHE A 723 27.667 28.504 6.905 1.00 48.56 A C\nATOM 183 N GLY A 724 25.325 35.543 7.693 1.00 43.86 A N\nATOM 184 CA GLY A 724 24.590 36.788 7.469 1.00 31.49 A C\nATOM 185 C GLY A 724 24.017 37.449 8.711 1.00 41.98 A C\nATOM 186 O GLY A 724 24.322 37.039 9.836 1.00 47.37 A O\nATOM 187 N THR A 725 23.156 38.446 8.488 1.00 38.68 A N\nATOM 188 CA THR A 725 22.603 39.310 9.542 1.00 38.78 A C\nATOM 189 C THR A 725 21.065 39.285 9.625 1.00 38.49 A C\nATOM 190 O THR A 725 20.391 39.449 8.608 1.00 33.98 A O\nATOM 191 CB THR A 725 23.053 40.762 9.320 1.00 49.97 A C\nATOM 192 OG1 THR A 725 24.483 40.810 9.375 1.00 46.95 A O\nATOM 193 CG2 THR A 725 22.472 41.700 10.383 1.00 44.75 A C\nATOM 194 N VAL A 726 20.534 39.134 10.842 1.00 32.51 A N\nATOM 195 CA VAL A 726 19.070 38.979 11.051 1.00 35.80 A C\nATOM 196 C VAL A 726 18.414 40.191 11.729 1.00 34.03 A C\nATOM 197 O VAL A 726 18.988 40.751 12.672 1.00 34.12 A O\nATOM 198 CB VAL A 726 18.745 37.679 11.833 1.00 33.62 A C\nATOM 199 CG1 VAL A 726 17.231 37.439 11.869 1.00 35.20 A C\nATOM 200 CG2 VAL A 726 19.400 36.488 11.163 1.00 37.39 A C\nATOM 201 N TYR A 727 17.215 40.566 11.254 1.00 33.84 A N\nATOM 202 CA TYR A 727 16.439 41.698 11.760 1.00 32.33 A C\nATOM 203 C TYR A 727 15.042 41.252 12.170 1.00 37.12 A C\nATOM 204 O TYR A 727 14.463 40.338 11.555 1.00 34.66 A O\nATOM 205 CB TYR A 727 16.246 42.780 10.672 1.00 34.43 A C\nATOM 206 CG TYR A 727 17.514 43.312 10.073 1.00 40.06 A C\nATOM 207 CD1 TYR A 727 18.048 44.535 10.495 1.00 44.66 A C\nATOM 208 CD2 TYR A 727 18.204 42.586 9.100 1.00 48.07 A C\nATOM 209 CE1 TYR A 727 19.233 45.017 9.958 1.00 40.67 A C\nATOM 210 CE2 TYR A 727 19.393 43.057 8.559 1.00 45.69 A C\nATOM 211 CZ TYR A 727 19.897 44.277 8.987 1.00 50.79 A C\nATOM 212 OH TYR A 727 21.076 44.738 8.449 1.00 40.87 A O\nATOM 213 N LYS A 728 14.496 41.908 13.186 1.00 31.04 A N\nATOM 214 CA LYS A 728 13.046 41.836 13.452 1.00 34.53 A C\nATOM 215 C LYS A 728 12.362 42.756 12.451 1.00 38.87 A C\nATOM 216 O LYS A 728 12.862 43.841 12.167 1.00 39.43 A O\nATOM 217 CB LYS A 728 12.735 42.293 14.875 1.00 39.98 A C\nATOM 218 CG LYS A 728 11.263 42.187 15.275 1.00 50.05 A C\nATOM 219 CD LYS A 728 10.997 42.809 16.640 1.00 41.41 A C\nATOM 220 CE LYS A 728 10.879 44.322 16.557 1.00 49.69 A C\nATOM 221 NZ LYS A 728 10.778 44.921 17.913 1.00 50.16 A N\nATOM 222 N GLY A 729 11.222 42.334 11.912 1.00 38.44 A N\nATOM 223 CA GLY A 729 10.526 43.156 10.939 1.00 40.01 A C\nATOM 224 C GLY A 729 9.034 42.913 10.861 1.00 36.82 A C\nATOM 225 O GLY A 729 8.488 42.144 11.635 1.00 33.00 A O\nATOM 226 N LEU A 730 8.388 43.608 9.930 1.00 42.24 A N\nATOM 227 CA LEU A 730 6.978 43.392 9.627 1.00 41.16 A C\nATOM 228 C LEU A 730 6.790 43.121 8.139 1.00 37.54 A C\nATOM 229 O LEU A 730 7.381 43.794 7.295 1.00 43.28 A O\nATOM 230 CB LEU A 730 6.128 44.602 10.042 1.00 55.61 A C\nATOM 231 CG LEU A 730 5.797 44.815 11.522 1.00 54.61 A C\nATOM 232 CD1 LEU A 730 5.056 46.134 11.690 1.00 55.22 A C\nATOM 233 CD2 LEU A 730 4.985 43.665 12.105 1.00 62.65 A C\nATOM 234 N TRP A 731 5.976 42.119 7.831 1.00 42.21 A N\nATOM 235 CA TRP A 731 5.575 41.865 6.463 1.00 38.29 A C\nATOM 236 C TRP A 731 4.115 42.307 6.264 1.00 44.54 A C\nATOM 237 O TRP A 731 3.205 41.854 6.974 1.00 40.95 A O\nATOM 238 CB TRP A 731 5.791 40.400 6.085 1.00 44.76 A C\nATOM 239 CG TRP A 731 5.239 40.023 4.741 1.00 49.04 A C\nATOM 240 CD1 TRP A 731 5.266 40.773 3.595 1.00 56.68 A C\nATOM 241 CD2 TRP A 731 4.591 38.792 4.399 1.00 57.71 A C\nATOM 242 NE1 TRP A 731 4.663 40.089 2.569 1.00 61.09 A N\nATOM 243 CE2 TRP A 731 4.244 38.869 3.032 1.00 55.11 A C\nATOM 244 CE3 TRP A 731 4.266 37.631 5.118 1.00 50.16 A C\nATOM 245 CZ2 TRP A 731 3.587 37.833 2.369 1.00 65.58 A C\nATOM 246 CZ3 TRP A 731 3.615 36.603 4.461 1.00 59.33 A C\nATOM 247 CH2 TRP A 731 3.276 36.713 3.098 1.00 60.58 A C\nATOM 248 N ILE A 732 3.936 43.209 5.304 1.00 46.64 A N\nATOM 249 CA ILE A 732 2.625 43.709 4.887 1.00 54.61 A C\nATOM 250 C ILE A 732 2.347 43.178 3.476 1.00 52.31 A C\nATOM 251 O ILE A 732 2.779 43.779 2.492 1.00 58.58 A O\nATOM 252 CB ILE A 732 2.602 45.255 4.904 1.00 54.63 A C\nATOM 253 CG1 ILE A 732 3.132 45.776 6.246 1.00 54.82 A C\nATOM 254 CG2 ILE A 732 1.194 45.787 4.641 1.00 66.79 A C\nATOM 255 CD1 ILE A 732 3.898 47.083 6.154 1.00 59.18 A C\nATOM 256 N PRO A 733 1.668 42.016 3.370 1.00 54.05 A N\nATOM 257 CA PRO A 733 1.327 41.500 2.042 1.00 58.55 A C\nATOM 258 C PRO A 733 0.630 42.595 1.229 1.00 65.49 A C\nATOM 259 O PRO A 733 -0.188 43.342 1.778 1.00 49.96 A O\nATOM 260 CB PRO A 733 0.373 40.346 2.348 1.00 64.25 A C\nATOM 261 CG PRO A 733 0.768 39.882 3.707 1.00 61.88 A C\nATOM 262 CD PRO A 733 1.226 41.110 4.446 1.00 62.75 A C\nATOM 263 N GLU A 734 0.979 42.695 -0.052 1.00 70.24 A N\nATOM 264 CA GLU A 734 0.686 43.884 -0.872 1.00 94.73 A C\nATOM 265 C GLU A 734 -0.777 44.355 -0.899 1.00 97.63 A C\nATOM 266 O GLU A 734 -1.074 45.485 -0.500 1.00 94.38 A O\nATOM 267 CB GLU A 734 1.246 43.724 -2.298 1.00109.10 A C\nATOM 268 CG GLU A 734 1.023 42.356 -2.932 1.00121.90 A C\nATOM 269 CD GLU A 734 2.032 42.040 -4.022 1.00137.46 A C\nATOM 270 OE1 GLU A 734 2.181 42.851 -4.963 1.00133.69 A O\nATOM 271 OE2 GLU A 734 2.677 40.973 -3.941 1.00133.05 A O\nATOM 272 N GLY A 735 -1.679 43.493 -1.356 1.00 77.00 A N\nATOM 273 CA GLY A 735 -3.081 43.876 -1.524 1.00102.31 A C\nATOM 274 C GLY A 735 -3.886 43.756 -0.246 1.00 94.49 A C\nATOM 275 O GLY A 735 -4.924 44.398 -0.090 1.00 87.16 A O\nATOM 276 N GLU A 736 -3.388 42.942 0.677 1.00 84.67 A N\nATOM 277 CA GLU A 736 -4.127 42.579 1.880 1.00 78.16 A C\nATOM 278 C GLU A 736 -4.024 43.678 2.935 1.00 83.43 A C\nATOM 279 O GLU A 736 -3.373 44.703 2.709 1.00 81.42 A O\nATOM 280 CB GLU A 736 -3.615 41.237 2.397 1.00 81.23 A C\nATOM 281 CG GLU A 736 -3.274 40.281 1.260 1.00 77.57 A C\nATOM 282 CD GLU A 736 -2.886 38.898 1.726 1.00 87.99 A C\nATOM 283 OE1 GLU A 736 -1.955 38.315 1.129 1.00 79.62 A O\nATOM 284 OE2 GLU A 736 -3.512 38.390 2.680 1.00 96.84 A O\nATOM 285 N LYS A 737 -4.679 43.481 4.076 1.00 74.52 A N\nATOM 286 CA LYS A 737 -4.699 44.519 5.107 1.00 87.38 A C\nATOM 287 C LYS A 737 -4.260 44.016 6.485 1.00 96.71 A C\nATOM 288 O LYS A 737 -4.977 44.181 7.477 1.00109.85 A O\nATOM 289 CB LYS A 737 -6.077 45.199 5.170 1.00102.72 A C\nATOM 290 CG LYS A 737 -6.406 46.051 3.949 1.00109.69 A C\nATOM 291 CD LYS A 737 -7.648 46.936 4.172 1.00118.48 A C\nATOM 292 CE LYS A 737 -7.282 48.276 4.851 1.00123.12 A C\nATOM 293 NZ LYS A 737 -8.538 49.108 5.062 1.00124.87 A N\nATOM 294 N VAL A 738 -3.074 43.406 6.534 1.00 81.63 A N\nATOM 295 CA VAL A 738 -2.501 42.891 7.786 1.00 70.23 A C\nATOM 296 C VAL A 738 -0.992 43.163 7.922 1.00 67.18 A C\nATOM 297 O VAL A 738 -0.292 43.394 6.933 1.00 49.00 A O\nATOM 298 CB VAL A 738 -2.770 41.373 7.985 1.00 75.03 A C\nATOM 299 CG1 VAL A 738 -4.250 41.103 8.236 1.00 86.92 A C\nATOM 300 CG2 VAL A 738 -2.252 40.551 6.808 1.00 64.70 A C\nATOM 301 N LYS A 739 -0.516 43.146 9.165 1.00 59.40 A N\nATOM 302 CA LYS A 739 0.904 43.256 9.475 1.00 60.90 A C\nATOM 303 C LYS A 739 1.318 41.933 10.119 1.00 50.28 A C\nATOM 304 O LYS A 739 0.703 41.504 11.090 1.00 49.12 A O\nATOM 305 CB LYS A 739 1.147 44.419 10.443 1.00 54.97 A C\nATOM 306 CG LYS A 739 0.870 45.811 9.886 1.00 67.55 A C\nATOM 307 CD LYS A 739 0.807 46.815 11.029 1.00 68.22 A C\nATOM 308 CE LYS A 739 0.849 48.258 10.555 1.00 69.70 A C\nATOM 309 NZ LYS A 739 0.897 49.182 11.726 1.00 63.68 A N\nATOM 310 N ILE A 740 2.334 41.275 9.569 1.00 53.92 A N\nATOM 311 CA ILE A 740 2.775 39.976 10.098 1.00 43.42 A C\nATOM 312 C ILE A 740 4.222 40.069 10.602 1.00 38.89 A C\nATOM 313 O ILE A 740 5.111 40.395 9.830 1.00 37.20 A O\nATOM 314 CB ILE A 740 2.637 38.847 9.043 1.00 47.72 A C\nATOM 315 CG1 ILE A 740 1.192 38.754 8.531 1.00 44.69 A C\nATOM 316 CG2 ILE A 740 3.097 37.499 9.607 1.00 42.82 A C\nATOM 317 CD1 ILE A 740 1.076 38.138 7.152 1.00 46.45 A C\nATOM 318 N PRO A 741 4.452 39.781 11.897 1.00 40.77 A N\nATOM 319 CA PRO A 741 5.827 39.786 12.440 1.00 39.30 A C\nATOM 320 C PRO A 741 6.717 38.738 11.759 1.00 38.75 A C\nATOM 321 O PRO A 741 6.362 37.551 11.684 1.00 38.50 A O\nATOM 322 CB PRO A 741 5.632 39.455 13.923 1.00 38.97 A C\nATOM 323 CG PRO A 741 4.153 39.637 14.186 1.00 41.99 A C\nATOM 324 CD PRO A 741 3.478 39.309 12.893 1.00 42.15 A C\nATOM 325 N VAL A 742 7.853 39.202 11.251 1.00 38.86 A N\nATOM 326 CA VAL A 742 8.786 38.356 10.514 1.00 38.13 A C\nATOM 327 C VAL A 742 10.231 38.581 11.005 1.00 34.95 A C\nATOM 328 O VAL A 742 10.561 39.632 11.583 1.00 34.01 A O\nATOM 329 CB VAL A 742 8.687 38.599 8.982 1.00 37.29 A C\nATOM 330 CG1 VAL A 742 7.346 38.112 8.437 1.00 40.56 A C\nATOM 331 CG2 VAL A 742 8.931 40.075 8.615 1.00 37.85 A C\nATOM 332 N ALA A 743 11.064 37.564 10.815 1.00 30.95 A N\nATOM 333 CA ALA A 743 12.504 37.735 10.909 1.00 31.06 A C\nATOM 334 C ALA A 743 12.971 37.867 9.468 1.00 29.26 A C\nATOM 335 O ALA A 743 12.443 37.205 8.545 1.00 29.67 A O\nATOM 336 CB ALA A 743 13.145 36.521 11.607 1.00 27.75 A C\nATOM 337 N ILE A 744 13.960 38.729 9.257 1.00 29.82 A N\nATOM 338 CA ILE A 744 14.482 38.989 7.941 1.00 26.91 A C\nATOM 339 C ILE A 744 15.996 38.776 7.997 1.00 32.94 A C\nATOM 340 O ILE A 744 16.659 39.439 8.787 1.00 31.67 A O\nATOM 341 CB ILE A 744 14.187 40.451 7.521 1.00 32.45 A C\nATOM 342 CG1 ILE A 744 12.668 40.686 7.463 1.00 33.88 A C\nATOM 343 CG2 ILE A 744 14.811 40.752 6.170 1.00 33.17 A C\nATOM 344 CD1 ILE A 744 12.266 42.143 7.435 1.00 43.30 A C\nATOM 345 N LYS A 745 16.513 37.833 7.209 1.00 31.04 A N\nATOM 346 CA LYS A 745 17.973 37.573 7.139 1.00 31.99 A C\nATOM 347 C LYS A 745 18.524 38.109 5.822 1.00 39.09 A C\nATOM 348 O LYS A 745 18.134 37.638 4.751 1.00 38.70 A O\nATOM 349 CB LYS A 745 18.294 36.063 7.319 1.00 28.72 A C\nATOM 350 CG LYS A 745 19.802 35.726 7.423 1.00 31.87 A C\nATOM 351 CD LYS A 745 20.007 34.389 8.138 1.00 31.76 A C\nATOM 352 CE LYS A 745 21.491 34.095 8.338 1.00 35.24 A C\nATOM 353 NZ LYS A 745 21.698 32.907 9.205 1.00 39.22 A N\nATOM 354 N GLU A 746 19.416 39.106 5.904 1.00 34.93 A N\nATOM 355 CA GLU A 746 20.142 39.638 4.746 1.00 33.61 A C\nATOM 356 C GLU A 746 21.526 38.979 4.663 1.00 41.73 A C\nATOM 357 O GLU A 746 22.298 39.054 5.609 1.00 40.63 A O\nATOM 358 CB GLU A 746 20.301 41.152 4.901 1.00 38.35 A C\nATOM 359 CG GLU A 746 20.665 41.861 3.615 1.00 43.31 A C\nATOM 360 CD GLU A 746 20.339 43.344 3.649 1.00 56.57 A C\nATOM 361 OE1 GLU A 746 20.746 44.024 4.616 1.00 60.73 A O\nATOM 362 OE2 GLU A 746 19.673 43.828 2.704 1.00 56.47 A O\nATOM 363 N LEU A 747 21.833 38.337 3.537 1.00 44.06 A N\nATOM 364 CA LEU A 747 23.024 37.488 3.450 1.00 49.19 A C\nATOM 365 C LEU A 747 24.281 38.279 3.131 1.00 60.11 A C\nATOM 366 O LEU A 747 24.202 39.411 2.649 1.00 50.14 A O\nATOM 367 CB LEU A 747 22.837 36.348 2.436 1.00 42.55 A C\nATOM 368 CG LEU A 747 21.603 35.433 2.522 1.00 47.94 A C\nATOM 369 CD1 LEU A 747 21.721 34.261 1.547 1.00 56.88 A C\nATOM 370 CD2 LEU A 747 21.335 34.931 3.938 1.00 48.40 A C\nATOM 371 N ARG A 748 25.429 37.670 3.439 1.00 66.18 A N\nATOM 372 CA ARG A 748 26.741 38.168 3.020 1.00 88.68 A C\nATOM 373 C ARG A 748 26.890 37.940 1.518 1.00 83.15 A C\nATOM 374 O ARG A 748 26.540 36.871 1.007 1.00 58.47 A O\nATOM 375 CB ARG A 748 27.867 37.432 3.760 1.00 95.20 A C\nATOM 376 CG ARG A 748 27.684 37.308 5.267 1.00111.81 A C\nATOM 377 CD ARG A 748 28.485 38.345 6.036 1.00116.77 A C\nATOM 378 NE ARG A 748 28.166 38.317 7.463 1.00121.49 A N\nATOM 379 CZ ARG A 748 28.992 38.701 8.434 1.00124.58 A C\nATOM 380 NH1 ARG A 748 28.598 38.637 9.698 1.00118.79 A N\nATOM 381 NH2 ARG A 748 30.213 39.139 8.150 1.00121.87 A N\nATOM 382 N GLU A 749 27.406 38.949 0.821 1.00 98.46 A N\nATOM 383 CA GLU A 749 27.601 38.891 -0.630 1.00109.01 A C\nATOM 384 C GLU A 749 28.856 38.102 -1.017 1.00119.10 A C\nATOM 385 O GLU A 749 29.662 37.740 -0.156 1.00127.74 A O\nATOM 386 CB GLU A 749 27.675 40.307 -1.207 1.00107.94 A C\nATOM 387 CG GLU A 749 26.412 41.134 -1.012 1.00122.50 A C\nATOM 388 CD GLU A 749 26.530 42.544 -1.567 1.00131.75 A C\nATOM 389 OE1 GLU A 749 27.541 42.855 -2.234 1.00129.10 A O\nATOM 390 OE2 GLU A 749 25.601 43.347 -1.337 1.00141.68 A O\nATOM 391 N ALA A 750 29.008 37.836 -2.315 1.00115.00 A N\nATOM 392 CA ALA A 750 30.204 37.181 -2.856 1.00118.99 A C\nATOM 393 C ALA A 750 30.743 37.944 -4.068 1.00126.64 A C\nATOM 394 O ALA A 750 30.009 38.716 -4.692 1.00142.14 A O\nATOM 395 CB ALA A 750 29.900 35.736 -3.224 1.00111.74 A C\nATOM 396 N THR A 751 32.022 37.735 -4.391 1.00123.82 A N\nATOM 397 CA THR A 751 32.648 38.356 -5.569 1.00124.40 A C\nATOM 398 C THR A 751 32.044 37.774 -6.848 1.00124.78 A C\nATOM 399 O THR A 751 31.735 38.509 -7.791 1.00116.74 A O\nATOM 400 CB THR A 751 34.185 38.166 -5.588 1.00118.19 A C\nATOM 401 OG1 THR A 751 34.721 38.383 -4.277 1.00103.31 A O\nATOM 402 CG2 THR A 751 34.848 39.136 -6.573 1.00100.42 A C\nATOM 403 N SER A 752 31.885 36.451 -6.862 1.00121.20 A N\nATOM 404 CA SER A 752 31.194 35.752 -7.939 1.00135.31 A C\nATOM 405 C SER A 752 29.938 35.072 -7.380 1.00129.14 A C\nATOM 406 O SER A 752 29.976 33.894 -7.008 1.00125.03 A O\nATOM 407 CB SER A 752 32.123 34.735 -8.613 1.00131.46 A C\nATOM 408 OG SER A 752 31.457 34.039 -9.655 1.00119.19 A O\nATOM 409 N PRO A 753 28.819 35.821 -7.308 1.00118.58 A N\nATOM 410 CA PRO A 753 27.589 35.277 -6.740 1.00106.64 A C\nATOM 411 C PRO A 753 26.877 34.351 -7.720 1.00 97.42 A C\nATOM 412 O PRO A 753 27.150 34.390 -8.922 1.00 88.50 A O\nATOM 413 CB PRO A 753 26.730 36.526 -6.474 1.00107.50 A C\nATOM 414 CG PRO A 753 27.528 37.708 -6.938 1.00107.49 A C\nATOM 415 CD PRO A 753 28.618 37.187 -7.821 1.00102.77 A C\nATOM 416 N LYS A 754 25.976 33.523 -7.199 1.00 91.73 A N\nATOM 417 CA LYS A 754 25.143 32.653 -8.028 1.00 78.40 A C\nATOM 418 C LYS A 754 24.059 33.471 -8.747 1.00 72.59 A C\nATOM 419 O LYS A 754 23.679 34.553 -8.283 1.00 71.52 A O\nATOM 420 CB LYS A 754 24.516 31.548 -7.171 1.00 66.50 A C\nATOM 421 CG LYS A 754 25.522 30.572 -6.582 1.00 66.51 A C\nATOM 422 CD LYS A 754 24.844 29.511 -5.730 1.00 67.17 A C\nATOM 423 CE LYS A 754 25.850 28.490 -5.217 1.00 71.27 A C\nATOM 424 NZ LYS A 754 25.199 27.456 -4.367 1.00 72.05 A N\nATOM 425 N ALA A 755 23.582 32.965 -9.885 1.00 67.58 A N\nATOM 426 CA ALA A 755 22.470 33.596 -10.607 1.00 64.10 A C\nATOM 427 C ALA A 755 21.197 33.558 -9.757 1.00 59.06 A C\nATOM 428 O ALA A 755 21.026 32.662 -8.924 1.00 48.83 A O\nATOM 429 CB ALA A 755 22.241 32.908 -11.946 1.00 62.79 A C\nATOM 430 N ASN A 756 20.311 34.532 -9.961 1.00 55.32 A N\nATOM 431 CA ASN A 756 19.058 34.580 -9.210 1.00 57.65 A C\nATOM 432 C ASN A 756 18.246 33.282 -9.306 1.00 49.83 A C\nATOM 433 O ASN A 756 17.713 32.811 -8.305 1.00 52.47 A O\nATOM 434 CB ASN A 756 18.214 35.782 -9.636 1.00 61.10 A C\nATOM 435 CG ASN A 756 18.737 37.095 -9.070 1.00 65.60 A C\nATOM 436 OD1 ASN A 756 18.241 38.166 -9.417 1.00 66.39 A O\nATOM 437 ND2 ASN A 756 19.733 37.018 -8.188 1.00 62.03 A N\nATOM 438 N LYS A 757 18.188 32.693 -10.499 1.00 48.32 A N\nATOM 439 CA LYS A 757 17.363 31.496 -10.707 1.00 53.97 A C\nATOM 440 C LYS A 757 17.885 30.303 -9.916 1.00 52.23 A C\nATOM 441 O LYS A 757 17.101 29.474 -9.457 1.00 38.94 A O\nATOM 442 CB LYS A 757 17.178 31.163 -12.198 1.00 57.10 A C\nATOM 443 CG LYS A 757 18.445 30.784 -12.949 1.00 62.89 A C\nATOM 444 CD LYS A 757 18.134 30.400 -14.385 1.00 67.24 A C\nATOM 445 CE LYS A 757 19.369 29.866 -15.088 1.00 78.98 A C\nATOM 446 NZ LYS A 757 19.072 29.478 -16.495 1.00 98.58 A N\nATOM 447 N GLU A 758 19.205 30.237 -9.731 1.00 41.71 A N\nATOM 448 CA GLU A 758 19.816 29.184 -8.921 1.00 45.36 A C\nATOM 449 C GLU A 758 19.512 29.391 -7.426 1.00 45.14 A C\nATOM 450 O GLU A 758 19.180 28.437 -6.706 1.00 43.16 A O\nATOM 451 CB GLU A 758 21.327 29.142 -9.166 1.00 56.18 A C\nATOM 452 CG GLU A 758 22.010 27.873 -8.669 1.00 74.96 A C\nATOM 453 CD GLU A 758 23.509 27.857 -8.933 1.00 89.13 A C\nATOM 454 OE1 GLU A 758 24.235 27.159 -8.193 1.00109.33 A O\nATOM 455 OE2 GLU A 758 23.968 28.536 -9.878 1.00 81.56 A O\nATOM 456 N ILE A 759 19.643 30.638 -6.971 1.00 38.74 A N\nATOM 457 CA ILE A 759 19.234 31.052 -5.622 1.00 40.45 A C\nATOM 458 C ILE A 759 17.742 30.767 -5.383 1.00 37.42 A C\nATOM 459 O ILE A 759 17.347 30.206 -4.353 1.00 36.66 A O\nATOM 460 CB ILE A 759 19.533 32.554 -5.393 1.00 43.35 A C\nATOM 461 CG1 ILE A 759 21.053 32.762 -5.243 1.00 47.56 A C\nATOM 462 CG2 ILE A 759 18.767 33.078 -4.186 1.00 43.77 A C\nATOM 463 CD1 ILE A 759 21.516 34.207 -5.124 1.00 44.09 A C\nATOM 464 N LEU A 760 16.923 31.151 -6.340 1.00 32.59 A N\nATOM 465 CA LEU A 760 15.477 30.871 -6.229 1.00 44.54 A C\nATOM 466 C LEU A 760 15.206 29.372 -6.123 1.00 43.78 A C\nATOM 467 O LEU A 760 14.351 28.949 -5.341 1.00 38.07 A O\nATOM 468 CB LEU A 760 14.701 31.506 -7.382 1.00 37.58 A C\nATOM 469 CG LEU A 760 14.663 33.030 -7.272 1.00 40.85 A C\nATOM 470 CD1 LEU A 760 14.118 33.694 -8.532 1.00 47.14 A C\nATOM 471 CD2 LEU A 760 13.882 33.459 -6.040 1.00 39.46 A C\nATOM 472 N ASP A 761 15.966 28.576 -6.874 1.00 37.26 A N\nATOM 473 CA ASP A 761 15.788 27.126 -6.889 1.00 39.19 A C\nATOM 474 C ASP A 761 16.110 26.500 -5.525 1.00 46.00 A C\nATOM 475 O ASP A 761 15.381 25.626 -5.051 1.00 41.12 A O\nATOM 476 CB ASP A 761 16.625 26.501 -8.020 1.00 44.22 A C\nATOM 477 CG ASP A 761 16.461 24.979 -8.126 1.00 58.33 A C\nATOM 478 OD1 ASP A 761 17.492 24.284 -8.152 1.00 49.31 A O\nATOM 479 OD2 ASP A 761 15.316 24.470 -8.200 1.00 47.84 A O\nATOM 480 N GLU A 762 17.191 26.954 -4.888 1.00 36.07 A N\nATOM 481 CA GLU A 762 17.560 26.438 -3.576 1.00 34.81 A C\nATOM 482 C GLU A 762 16.600 26.948 -2.508 1.00 32.41 A C\nATOM 483 O GLU A 762 16.215 26.209 -1.596 1.00 36.70 A O\nATOM 484 CB GLU A 762 19.029 26.775 -3.256 1.00 39.98 A C\nATOM 485 CG GLU A 762 19.960 26.152 -4.283 1.00 46.30 A C\nATOM 486 CD GLU A 762 21.394 25.995 -3.807 1.00 67.31 A C\nATOM 487 OE1 GLU A 762 22.255 25.711 -4.666 1.00 61.02 A O\nATOM 488 OE2 GLU A 762 21.667 26.144 -2.592 1.00 60.07 A O\nATOM 489 N ALA A 763 16.161 28.196 -2.654 1.00 31.03 A N\nATOM 490 CA ALA A 763 15.258 28.767 -1.667 1.00 30.15 A C\nATOM 491 C ALA A 763 13.909 28.042 -1.718 1.00 31.96 A C\nATOM 492 O ALA A 763 13.237 27.930 -0.700 1.00 32.14 A O\nATOM 493 CB ALA A 763 15.065 30.253 -1.887 1.00 31.59 A C\nATOM 494 N TYR A 764 13.541 27.551 -2.895 1.00 28.99 A N\nATOM 495 CA TYR A 764 12.229 26.863 -3.044 1.00 29.83 A C\nATOM 496 C TYR A 764 12.189 25.668 -2.112 1.00 28.72 A C\nATOM 497 O TYR A 764 11.184 25.426 -1.469 1.00 29.34 A O\nATOM 498 CB TYR A 764 11.968 26.408 -4.481 1.00 30.91 A C\nATOM 499 CG TYR A 764 10.617 25.705 -4.651 1.00 30.27 A C\nATOM 500 CD1 TYR A 764 10.525 24.314 -4.685 1.00 29.95 A C\nATOM 501 CD2 TYR A 764 9.448 26.447 -4.774 1.00 31.11 A C\nATOM 502 CE1 TYR A 764 9.299 23.683 -4.830 1.00 36.51 A C\nATOM 503 CE2 TYR A 764 8.212 25.822 -4.915 1.00 34.02 A C\nATOM 504 CZ TYR A 764 8.153 24.440 -4.943 1.00 31.33 A C\nATOM 505 OH TYR A 764 6.926 23.819 -5.090 1.00 36.39 A O\nATOM 506 N VAL A 765 13.308 24.953 -1.983 1.00 30.36 A N\nATOM 507 CA VAL A 765 13.338 23.790 -1.106 1.00 30.00 A C\nATOM 508 C VAL A 765 13.144 24.241 0.339 1.00 28.48 A C\nATOM 509 O VAL A 765 12.510 23.540 1.135 1.00 28.46 A O\nATOM 510 CB VAL A 765 14.661 22.982 -1.249 1.00 34.35 A C\nATOM 511 CG1 VAL A 765 14.648 21.743 -0.361 1.00 37.76 A C\nATOM 512 CG2 VAL A 765 14.898 22.599 -2.708 1.00 39.05 A C\nATOM 513 N MET A 766 13.685 25.407 0.687 1.00 26.60 A N\nATOM 514 CA MET A 766 13.558 25.938 2.055 1.00 27.20 A C\nATOM 515 C MET A 766 12.106 26.365 2.345 1.00 32.09 A C\nATOM 516 O MET A 766 11.637 26.292 3.487 1.00 34.54 A O\nATOM 517 CB MET A 766 14.561 27.094 2.308 1.00 31.52 A C\nATOM 518 CG MET A 766 16.040 26.737 2.138 1.00 36.39 A C\nATOM 519 SD MET A 766 16.954 28.289 1.995 1.00 35.31 A S\nATOM 520 CE MET A 766 18.693 27.772 1.971 1.00 29.41 A C\nATOM 521 N ALA A 767 11.388 26.768 1.304 1.00 25.55 A N\nATOM 522 CA ALA A 767 9.955 27.147 1.461 1.00 28.35 A C\nATOM 523 C ALA A 767 8.996 25.957 1.419 1.00 30.50 A C\nATOM 524 O ALA A 767 7.810 26.051 1.829 1.00 35.24 A O\nATOM 525 CB ALA A 767 9.587 28.141 0.385 1.00 27.82 A C\nATOM 526 N SER A 768 9.486 24.841 0.921 1.00 33.39 A N\nATOM 527 CA SER A 768 8.674 23.650 0.666 1.00 36.62 A C\nATOM 528 C SER A 768 8.537 22.757 1.916 1.00 35.31 A C\nATOM 529 O SER A 768 7.706 21.837 1.944 1.00 41.31 A O\nATOM 530 CB SER A 768 9.315 22.842 -0.478 1.00 30.34 A C\nATOM 531 OG SER A 768 10.337 22.007 0.056 1.00 43.37 A O\nATOM 532 N VAL A 769 9.337 23.017 2.949 1.00 29.89 A N\nATOM 533 CA VAL A 769 9.346 22.117 4.112 1.00 31.80 A C\nATOM 534 C VAL A 769 8.076 22.226 4.967 1.00 35.73 A C\nATOM 535 O VAL A 769 7.587 23.322 5.240 1.00 40.87 A O\nATOM 536 CB VAL A 769 10.608 22.267 4.970 1.00 36.09 A C\nATOM 537 CG1 VAL A 769 11.840 21.931 4.144 1.00 34.12 A C\nATOM 538 CG2 VAL A 769 10.721 23.677 5.517 1.00 42.89 A C\nATOM 539 N ASP A 770 7.546 21.080 5.369 1.00 31.99 A N\nATOM 540 CA ASP A 770 6.279 21.036 6.088 1.00 39.53 A C\nATOM 541 C ASP A 770 6.391 20.001 7.188 1.00 32.29 A C\nATOM 542 O ASP A 770 6.093 18.820 6.974 1.00 33.73 A O\nATOM 543 CB ASP A 770 5.126 20.706 5.120 1.00 36.58 A C\nATOM 544 CG ASP A 770 3.755 20.745 5.793 1.00 41.55 A C\nATOM 545 OD1 ASP A 770 3.591 21.464 6.803 1.00 41.43 A O\nATOM 546 OD2 ASP A 770 2.839 20.055 5.297 1.00 61.49 A O\nATOM 547 N ASN A 771 6.841 20.458 8.358 1.00 27.92 A N\nATOM 548 CA ASN A 771 7.056 19.600 9.515 1.00 28.79 A C\nATOM 549 C ASN A 771 7.004 20.473 10.767 1.00 28.51 A C\nATOM 550 O ASN A 771 7.492 21.615 10.753 1.00 32.33 A O\nATOM 551 CB ASN A 771 8.427 18.877 9.404 1.00 31.63 A C\nATOM 552 CG ASN A 771 8.711 17.968 10.593 1.00 32.66 A C\nATOM 553 OD1 ASN A 771 9.198 18.412 11.634 1.00 32.35 A O\nATOM 554 ND2 ASN A 771 8.412 16.685 10.439 1.00 31.99 A N\nATOM 555 N PRO A 772 6.419 19.947 11.868 1.00 36.96 A N\nATOM 556 CA PRO A 772 6.237 20.746 13.090 1.00 37.28 A C\nATOM 557 C PRO A 772 7.540 21.226 13.729 1.00 33.19 A C\nATOM 558 O PRO A 772 7.524 22.216 14.470 1.00 30.61 A O\nATOM 559 CB PRO A 772 5.540 19.773 14.045 1.00 44.95 A C\nATOM 560 CG PRO A 772 4.862 18.792 13.164 1.00 49.09 A C\nATOM 561 CD PRO A 772 5.749 18.635 11.972 1.00 36.80 A C\nATOM 562 N HIS A 773 8.647 20.524 13.463 1.00 32.01 A N\nATOM 563 CA HIS A 773 9.923 20.890 14.095 1.00 32.30 A C\nATOM 564 C HIS A 773 10.938 21.522 13.140 1.00 29.91 A C\nATOM 565 O HIS A 773 12.141 21.581 13.433 1.00 31.48 A O\nATOM 566 CB HIS A 773 10.501 19.683 14.866 1.00 30.06 A C\nATOM 567 CG HIS A 773 9.481 19.002 15.740 1.00 38.50 A C\nATOM 568 ND1 HIS A 773 8.923 19.607 16.850 1.00 35.97 A N\nATOM 569 CD2 HIS A 773 8.862 17.803 15.617 1.00 43.44 A C\nATOM 570 CE1 HIS A 773 8.045 18.787 17.401 1.00 35.79 A C\nATOM 571 NE2 HIS A 773 7.979 17.690 16.666 1.00 33.01 A N\nATOM 572 N VAL A 774 10.444 22.029 12.011 1.00 32.42 A N\nATOM 573 CA VAL A 774 11.292 22.713 11.029 1.00 31.78 A C\nATOM 574 C VAL A 774 10.590 24.023 10.638 1.00 31.70 A C\nATOM 575 O VAL A 774 9.410 24.021 10.272 1.00 33.83 A O\nATOM 576 CB VAL A 774 11.562 21.858 9.757 1.00 37.83 A C\nATOM 577 CG1 VAL A 774 12.584 22.547 8.868 1.00 28.77 A C\nATOM 578 CG2 VAL A 774 12.050 20.442 10.095 1.00 34.53 A C\nATOM 579 N CYS A 775 11.299 25.132 10.784 1.00 31.06 A N\nATOM 580 CA CYS A 775 10.867 26.411 10.246 1.00 32.97 A C\nATOM 581 C CYS A 775 10.813 26.400 8.725 1.00 31.14 A C\nATOM 582 O CYS A 775 11.570 25.660 8.057 1.00 35.80 A O\nATOM 583 CB CYS A 775 11.836 27.504 10.707 1.00 29.32 A C\nATOM 584 SG CYS A 775 11.781 27.780 12.482 1.00 36.31 A S\nATOM 585 N ARG A 776 9.959 27.240 8.152 1.00 27.88 A N\nATOM 586 CA ARG A 776 9.926 27.322 6.704 1.00 26.20 A C\nATOM 587 C ARG A 776 10.059 28.744 6.212 1.00 25.09 A C\nATOM 588 O ARG A 776 9.700 29.688 6.895 1.00 28.55 A O\nATOM 589 CB ARG A 776 8.682 26.632 6.126 1.00 36.86 A C\nATOM 590 CG ARG A 776 7.473 27.513 6.073 1.00 39.62 A C\nATOM 591 CD ARG A 776 6.435 26.936 5.109 1.00 54.28 A C\nATOM 592 NE ARG A 776 5.496 27.982 4.720 1.00 51.59 A N\nATOM 593 CZ ARG A 776 5.521 28.662 3.573 1.00 56.49 A C\nATOM 594 NH1 ARG A 776 6.423 28.405 2.636 1.00 45.85 A N\nATOM 595 NH2 ARG A 776 4.607 29.596 3.351 1.00 62.64 A N\nATOM 596 N LEU A 777 10.660 28.874 5.042 1.00 32.82 A N\nATOM 597 CA LEU A 777 10.839 30.155 4.397 1.00 39.54 A C\nATOM 598 C LEU A 777 9.481 30.608 3.865 1.00 41.12 A C\nATOM 599 O LEU A 777 8.752 29.829 3.249 1.00 36.46 A O\nATOM 600 CB LEU A 777 11.873 30.008 3.284 1.00 37.75 A C\nATOM 601 CG LEU A 777 12.599 31.245 2.783 1.00 41.91 A C\nATOM 602 CD1 LEU A 777 13.269 31.938 3.962 1.00 35.23 A C\nATOM 603 CD2 LEU A 777 13.619 30.839 1.737 1.00 39.23 A C\nATOM 604 N LEU A 778 9.106 31.841 4.179 1.00 35.56 A N\nATOM 605 CA LEU A 778 7.850 32.407 3.671 1.00 37.08 A C\nATOM 606 C LEU A 778 8.067 33.176 2.372 1.00 39.75 A C\nATOM 607 O LEU A 778 7.184 33.229 1.510 1.00 45.05 A O\nATOM 608 CB LEU A 778 7.251 33.354 4.706 1.00 33.02 A C\nATOM 609 CG LEU A 778 6.736 32.791 6.028 1.00 43.06 A C\nATOM 610 CD1 LEU A 778 6.379 33.930 6.967 1.00 41.81 A C\nATOM 611 CD2 LEU A 778 5.533 31.872 5.829 1.00 55.69 A C\nATOM 612 N GLY A 779 9.235 33.799 2.246 1.00 38.68 A N\nATOM 613 CA GLY A 779 9.483 34.706 1.147 1.00 38.09 A C\nATOM 614 C GLY A 779 10.944 35.031 0.929 1.00 34.62 A C\nATOM 615 O GLY A 779 11.816 34.682 1.729 1.00 34.55 A O\nATOM 616 N ILE A 780 11.206 35.696 -0.181 1.00 36.47 A N\nATOM 617 CA ILE A 780 12.549 36.078 -0.537 1.00 32.86 A C\nATOM 618 C ILE A 780 12.467 37.364 -1.342 1.00 37.56 A C\nATOM 619 O ILE A 780 11.461 37.641 -2.019 1.00 35.89 A O\nATOM 620 CB ILE A 780 13.271 34.933 -1.305 1.00 36.74 A C\nATOM 621 CG1 ILE A 780 14.757 35.226 -1.508 1.00 37.01 A C\nATOM 622 CG2 ILE A 780 12.566 34.586 -2.612 1.00 39.84 A C\nATOM 623 CD1 ILE A 780 15.542 34.015 -1.981 1.00 41.12 A C\nATOM 624 N CYS A 781 13.504 38.179 -1.218 1.00 34.22 A N\nATOM 625 CA CYS A 781 13.584 39.409 -1.968 1.00 39.58 A C\nATOM 626 C CYS A 781 15.008 39.513 -2.476 1.00 42.52 A C\nATOM 627 O CYS A 781 15.968 39.597 -1.696 1.00 42.31 A O\nATOM 628 CB CYS A 781 13.209 40.593 -1.091 1.00 42.05 A C\nATOM 629 SG CYS A 781 13.340 42.208 -1.900 1.00 52.46 A S\nATOM 630 N LEU A 782 15.137 39.460 -3.794 1.00 40.33 A N\nATOM 631 CA LEU A 782 16.427 39.615 -4.427 1.00 52.46 A C\nATOM 632 C LEU A 782 16.577 41.062 -4.912 1.00 57.91 A C\nATOM 633 O LEU A 782 15.686 41.607 -5.575 1.00 53.42 A O\nATOM 634 CB LEU A 782 16.593 38.602 -5.561 1.00 46.81 A C\nATOM 635 CG LEU A 782 16.440 37.118 -5.193 1.00 50.02 A C\nATOM 636 CD1 LEU A 782 16.409 36.255 -6.440 1.00 58.30 A C\nATOM 637 CD2 LEU A 782 17.535 36.643 -4.245 1.00 47.01 A C\nATOM 638 N THR A 783 17.681 41.688 -4.513 1.00 57.02 A N\nATOM 639 CA THR A 783 18.058 43.033 -4.953 1.00 57.87 A C\nATOM 640 C THR A 783 19.559 42.976 -5.243 1.00 56.07 A C\nATOM 641 O THR A 783 20.020 42.064 -5.932 1.00 68.18 A O\nATOM 642 CB THR A 783 17.787 44.109 -3.877 1.00 57.17 A C\nATOM 643 OG1 THR A 783 18.534 43.803 -2.690 1.00 63.32 A O\nATOM 644 CG2 THR A 783 16.297 44.223 -3.544 1.00 60.21 A C\nATOM 645 N SER A 784 20.317 43.931 -4.705 1.00 61.57 A N\nATOM 646 CA SER A 784 21.778 43.830 -4.658 1.00 62.64 A C\nATOM 647 C SER A 784 22.205 42.824 -3.584 1.00 66.71 A C\nATOM 648 O SER A 784 23.330 42.310 -3.611 1.00 73.57 A O\nATOM 649 CB SER A 784 22.413 45.198 -4.391 1.00 65.94 A C\nATOM 650 OG SER A 784 21.881 45.793 -3.219 1.00 77.36 A O\nATOM 651 N THR A 785 21.296 42.553 -2.644 1.00 56.80 A N\nATOM 652 CA THR A 785 21.494 41.540 -1.602 1.00 50.80 A C\nATOM 653 C THR A 785 20.393 40.478 -1.669 1.00 48.30 A C\nATOM 654 O THR A 785 19.331 40.704 -2.264 1.00 47.91 A O\nATOM 655 CB THR A 785 21.428 42.150 -0.184 1.00 51.80 A C\nATOM 656 OG1 THR A 785 20.089 42.598 0.080 1.00 49.48 A O\nATOM 657 CG2 THR A 785 22.410 43.311 -0.027 1.00 59.94 A C\nATOM 658 N VAL A 786 20.645 39.332 -1.039 1.00 46.00 A N\nATOM 659 CA VAL A 786 19.597 38.329 -0.826 1.00 38.67 A C\nATOM 660 C VAL A 786 18.979 38.517 0.553 1.00 36.32 A C\nATOM 661 O VAL A 786 19.693 38.530 1.546 1.00 39.63 A O\nATOM 662 CB VAL A 786 20.142 36.898 -0.953 1.00 38.01 A C\nATOM 663 CG1 VAL A 786 19.031 35.871 -0.729 1.00 48.90 A C\nATOM 664 CG2 VAL A 786 20.782 36.700 -2.320 1.00 48.03 A C\nATOM 665 N GLN A 787 17.653 38.626 0.610 1.00 36.69 A N\nATOM 666 CA GLN A 787 16.944 38.695 1.883 1.00 35.65 A C\nATOM 667 C GLN A 787 15.909 37.581 2.032 1.00 39.78 A C\nATOM 668 O GLN A 787 15.052 37.404 1.156 1.00 35.85 A O\nATOM 669 CB GLN A 787 16.259 40.049 2.058 1.00 38.83 A C\nATOM 670 CG GLN A 787 17.235 41.187 2.339 1.00 38.72 A C\nATOM 671 CD GLN A 787 16.536 42.518 2.516 1.00 42.16 A C\nATOM 672 OE1 GLN A 787 16.253 42.927 3.638 1.00 41.78 A O\nATOM 673 NE2 GLN A 787 16.248 43.197 1.412 1.00 43.91 A N\nATOM 674 N LEU A 788 15.995 36.856 3.148 1.00 33.94 A N\nATOM 675 CA LEU A 788 15.086 35.737 3.441 1.00 35.29 A C\nATOM 676 C LEU A 788 14.084 36.113 4.506 1.00 30.71 A C\nATOM 677 O LEU A 788 14.427 36.716 5.524 1.00 32.86 A O\nATOM 678 CB LEU A 788 15.887 34.523 3.909 1.00 32.95 A C\nATOM 679 CG LEU A 788 17.028 34.042 3.026 1.00 35.16 A C\nATOM 680 CD1 LEU A 788 17.745 32.897 3.724 1.00 34.86 A C\nATOM 681 CD2 LEU A 788 16.502 33.617 1.664 1.00 37.74 A C\nATOM 682 N ILE A 789 12.820 35.776 4.290 1.00 30.64 A N\nATOM 683 CA ILE A 789 11.799 36.205 5.231 1.00 28.88 A C\nATOM 684 C ILE A 789 11.097 34.984 5.799 1.00 25.85 A C\nATOM 685 O ILE A 789 10.735 34.081 5.056 1.00 33.02 A O\nATOM 686 CB ILE A 789 10.799 37.178 4.563 1.00 34.04 A C\nATOM 687 CG1 ILE A 789 11.507 38.480 4.147 1.00 37.69 A C\nATOM 688 CG2 ILE A 789 9.617 37.488 5.479 1.00 35.36 A C\nATOM 689 CD1 ILE A 789 12.058 38.438 2.739 1.00 38.70 A C\nATOM 690 N THR A 790 10.936 34.964 7.116 1.00 25.06 A N\nATOM 691 CA THR A 790 10.342 33.827 7.816 1.00 27.17 A C\nATOM 692 C THR A 790 9.494 34.315 8.999 1.00 29.00 A C\nATOM 693 O THR A 790 9.635 35.461 9.477 1.00 29.51 A O\nATOM 694 CB THR A 790 11.412 32.818 8.305 1.00 30.02 A C\nATOM 695 OG1 THR A 790 10.789 31.611 8.765 1.00 34.01 A O\nATOM 696 CG2 THR A 790 12.237 33.433 9.444 1.00 31.21 A C\nATOM 697 N GLN A 791 8.618 33.441 9.488 1.00 30.66 A N\nATOM 698 CA GLN A 791 7.785 33.807 10.630 1.00 36.46 A C\nATOM 699 C GLN A 791 8.674 34.148 11.824 1.00 34.02 A C\nATOM 700 O GLN A 791 9.592 33.396 12.152 1.00 33.64 A O\nATOM 701 CB GLN A 791 6.819 32.678 10.987 1.00 35.09 A C\nATOM 702 CG GLN A 791 5.969 32.941 12.226 1.00 43.19 A C\nATOM 703 CD GLN A 791 5.029 31.789 12.571 1.00 55.79 A C\nATOM 704 OE1 GLN A 791 5.093 30.712 11.975 1.00 52.44 A O\nATOM 705 NE2 GLN A 791 4.162 32.011 13.552 1.00 61.70 A N\nATOM 706 N LEU A 792 8.411 35.287 12.464 1.00 31.17 A N\nATOM 707 CA LEU A 792 9.174 35.661 13.656 1.00 33.99 A C\nATOM 708 C LEU A 792 8.850 34.728 14.811 1.00 43.25 A C\nATOM 709 O LEU A 792 7.684 34.452 15.080 1.00 34.41 A O\nATOM 710 CB LEU A 792 8.922 37.111 14.075 1.00 29.38 A C\nATOM 711 CG LEU A 792 9.671 37.595 15.317 1.00 33.72 A C\nATOM 712 CD1 LEU A 792 11.186 37.568 15.018 1.00 31.79 A C\nATOM 713 CD2 LEU A 792 9.205 38.962 15.810 1.00 33.47 A C\nATOM 714 N MET A 793 9.888 34.228 15.477 1.00 34.59 A N\nATOM 715 CA MET A 793 9.710 33.390 16.667 1.00 38.57 A C\nATOM 716 C MET A 793 10.133 34.232 17.866 1.00 35.33 A C\nATOM 717 O MET A 793 11.318 34.339 18.163 1.00 31.81 A O\nATOM 718 CB MET A 793 10.542 32.098 16.609 1.00 31.33 A C\nATOM 719 CG MET A 793 10.279 31.184 15.428 1.00 47.71 A C\nATOM 720 SD MET A 793 8.821 30.169 15.693 1.00 56.46 A S\nATOM 721 CE MET A 793 7.733 30.916 14.499 1.00 48.95 A C\nATOM 722 N PRO A 794 9.162 34.859 18.553 1.00 35.55 A N\nATOM 723 CA PRO A 794 9.545 35.860 19.543 1.00 30.76 A C\nATOM 724 C PRO A 794 9.986 35.307 20.884 1.00 28.26 A C\nATOM 725 O PRO A 794 10.447 36.072 21.701 1.00 34.35 A O\nATOM 726 CB PRO A 794 8.248 36.694 19.710 1.00 42.71 A C\nATOM 727 CG PRO A 794 7.172 35.699 19.470 1.00 43.64 A C\nATOM 728 CD PRO A 794 7.693 34.780 18.392 1.00 44.18 A C\nATOM 729 N PHE A 795 9.891 33.990 21.115 1.00 29.98 A N\nATOM 730 CA PHE A 795 10.526 33.422 22.310 1.00 33.66 A C\nATOM 731 C PHE A 795 12.029 33.222 22.148 1.00 31.23 A C\nATOM 732 O PHE A 795 12.724 32.956 23.132 1.00 37.68 A O\nATOM 733 CB PHE A 795 9.840 32.132 22.793 1.00 39.00 A C\nATOM 734 CG PHE A 795 8.409 32.336 23.205 1.00 47.26 A C\nATOM 735 CD1 PHE A 795 7.408 31.504 22.721 1.00 53.18 A C\nATOM 736 CD2 PHE A 795 8.058 33.381 24.059 1.00 58.22 A C\nATOM 737 CE1 PHE A 795 6.080 31.702 23.090 1.00 72.79 A C\nATOM 738 CE2 PHE A 795 6.734 33.585 24.431 1.00 64.24 A C\nATOM 739 CZ PHE A 795 5.742 32.745 23.944 1.00 67.83 A C\nATOM 740 N GLY A 796 12.521 33.370 20.915 1.00 32.03 A N\nATOM 741 CA GLY A 796 13.979 33.388 20.629 1.00 34.05 A C\nATOM 742 C GLY A 796 14.608 32.018 20.441 1.00 33.43 A C\nATOM 743 O GLY A 796 13.889 31.009 20.242 1.00 31.30 A O\nATOM 744 N CYS A 797 15.943 31.954 20.486 1.00 30.57 A N\nATOM 745 CA CYS A 797 16.586 30.652 20.281 1.00 29.37 A C\nATOM 746 C CYS A 797 16.668 29.805 21.550 1.00 30.71 A C\nATOM 747 O CYS A 797 16.623 30.314 22.695 1.00 30.01 A O\nATOM 748 CB CYS A 797 17.978 30.814 19.648 1.00 43.11 A C\nATOM 749 SG CYS A 797 19.123 31.656 20.730 1.00 58.13 A S\nATOM 750 N LEU A 798 16.791 28.495 21.342 1.00 35.30 A N\nATOM 751 CA LEU A 798 16.874 27.549 22.445 1.00 34.49 A C\nATOM 752 C LEU A 798 18.173 27.763 23.222 1.00 29.27 A C\nATOM 753 O LEU A 798 18.205 27.541 24.431 1.00 31.95 A O\nATOM 754 CB LEU A 798 16.769 26.092 21.946 1.00 28.13 A C\nATOM 755 CG LEU A 798 16.579 25.005 23.020 1.00 30.34 A C\nATOM 756 CD1 LEU A 798 15.398 25.294 23.961 1.00 34.84 A C\nATOM 757 CD2 LEU A 798 16.357 23.627 22.364 1.00 29.21 A C\nATOM 758 N LEU A 799 19.221 28.218 22.540 1.00 31.78 A N\nATOM 759 CA LEU A 799 20.484 28.489 23.226 1.00 30.68 A C\nATOM 760 C LEU A 799 20.288 29.581 24.284 1.00 32.64 A C\nATOM 761 O LEU A 799 20.748 29.461 25.421 1.00 31.25 A O\nATOM 762 CB LEU A 799 21.592 28.875 22.230 1.00 32.88 A C\nATOM 763 CG LEU A 799 22.929 29.276 22.874 1.00 31.32 A C\nATOM 764 CD1 LEU A 799 23.518 28.108 23.667 1.00 36.85 A C\nATOM 765 CD2 LEU A 799 23.967 29.769 21.868 1.00 36.94 A C\nATOM 766 N ASP A 800 19.583 30.643 23.912 1.00 32.68 A N\nATOM 767 CA ASP A 800 19.374 31.739 24.855 1.00 34.91 A C\nATOM 768 C ASP A 800 18.443 31.291 25.942 1.00 31.79 A C\nATOM 769 O ASP A 800 18.597 31.688 27.095 1.00 32.60 A O\nATOM 770 CB ASP A 800 18.845 32.992 24.160 1.00 34.98 A C\nATOM 771 CG ASP A 800 19.900 33.683 23.315 1.00 52.24 A C\nATOM 772 OD1 ASP A 800 19.513 34.368 22.349 1.00 55.86 A O\nATOM 773 OD2 ASP A 800 21.114 33.544 23.610 1.00 50.16 A O\nATOM 774 N TYR A 801 17.485 30.434 25.575 1.00 32.99 A N\nATOM 775 CA TYR A 801 16.480 29.942 26.513 1.00 37.10 A C\nATOM 776 C TYR A 801 17.077 29.074 27.614 1.00 36.24 A C\nATOM 777 O TYR A 801 16.769 29.274 28.794 1.00 36.20 A O\nATOM 778 CB TYR A 801 15.381 29.168 25.781 1.00 31.79 A C\nATOM 779 CG TYR A 801 14.195 28.833 26.648 1.00 40.70 A C\nATOM 780 CD1 TYR A 801 14.160 27.658 27.392 1.00 40.54 A C\nATOM 781 CD2 TYR A 801 13.087 29.703 26.717 1.00 40.28 A C\nATOM 782 CE1 TYR A 801 13.060 27.344 28.187 1.00 45.35 A C\nATOM 783 CE2 TYR A 801 11.985 29.402 27.512 1.00 47.53 A C\nATOM 784 CZ TYR A 801 11.979 28.223 28.241 1.00 48.21 A C\nATOM 785 OH TYR A 801 10.900 27.909 29.028 1.00 52.74 A O\nATOM 786 N VAL A 802 17.945 28.132 27.248 1.00 34.38 A N\nATOM 787 CA VAL A 802 18.619 27.317 28.275 1.00 32.90 A C\nATOM 788 C VAL A 802 19.560 28.099 29.203 1.00 35.29 A C\nATOM 789 O VAL A 802 19.650 27.794 30.384 1.00 36.18 A O\nATOM 790 CB VAL A 802 19.318 26.049 27.707 1.00 35.68 A C\nATOM 791 CG1 VAL A 802 18.309 25.183 26.975 1.00 32.43 A C\nATOM 792 CG2 VAL A 802 20.491 26.388 26.799 1.00 30.24 A C\nATOM 793 N ARG A 803 20.273 29.077 28.652 1.00 35.21 A N\nATOM 794 CA ARG A 803 21.118 29.983 29.430 1.00 34.14 A C\nATOM 795 C ARG A 803 20.283 30.806 30.422 1.00 34.89 A C\nATOM 796 O ARG A 803 20.659 30.943 31.581 1.00 36.87 A O\nATOM 797 CB ARG A 803 21.882 30.923 28.493 1.00 37.80 A C\nATOM 798 CG ARG A 803 23.077 30.252 27.824 1.00 40.47 A C\nATOM 799 CD ARG A 803 23.626 31.102 26.693 1.00 37.81 A C\nATOM 800 NE ARG A 803 24.840 30.526 26.094 1.00 31.61 A N\nATOM 801 CZ ARG A 803 25.558 31.121 25.144 1.00 42.39 A C\nATOM 802 NH1 ARG A 803 25.187 32.304 24.666 1.00 40.81 A N\nATOM 803 NH2 ARG A 803 26.647 30.541 24.660 1.00 37.03 A N\nATOM 804 N GLU A 804 19.133 31.303 29.973 1.00 38.72 A N\nATOM 805 CA GLU A 804 18.271 32.145 30.822 1.00 41.32 A C\nATOM 806 C GLU A 804 17.514 31.355 31.902 1.00 49.15 A C\nATOM 807 O GLU A 804 17.378 31.812 33.048 1.00 42.48 A O\nATOM 808 CB GLU A 804 17.299 32.946 29.948 1.00 41.36 A C\nATOM 809 CG GLU A 804 16.339 33.862 30.708 1.00 59.06 A C\nATOM 810 CD GLU A 804 16.924 35.233 31.006 1.00 77.26 A C\nATOM 811 OE1 GLU A 804 18.167 35.388 30.997 1.00 77.65 A O\nATOM 812 OE2 GLU A 804 16.130 36.168 31.246 1.00 98.71 A O\nATOM 813 N HIS A 805 17.039 30.166 31.541 1.00 38.93 A N\nATOM 814 CA HIS A 805 16.138 29.400 32.401 1.00 43.34 A C\nATOM 815 C HIS A 805 16.748 28.177 33.068 1.00 43.35 A C\nATOM 816 O HIS A 805 16.020 27.342 33.600 1.00 51.79 A O\nATOM 817 CB HIS A 805 14.870 29.006 31.632 1.00 44.55 A C\nATOM 818 CG HIS A 805 14.083 30.182 31.156 1.00 52.86 A C\nATOM 819 ND1 HIS A 805 14.167 30.660 29.867 1.00 54.67 A N\nATOM 820 CD2 HIS A 805 13.232 31.007 31.809 1.00 55.38 A C\nATOM 821 CE1 HIS A 805 13.389 31.720 29.742 1.00 60.50 A C\nATOM 822 NE2 HIS A 805 12.809 31.950 30.905 1.00 62.29 A N\nATOM 823 N LYS A 806 18.074 28.090 33.066 1.00 44.74 A N\nATOM 824 CA LYS A 806 18.785 26.942 33.615 1.00 45.17 A C\nATOM 825 C LYS A 806 18.172 26.384 34.918 1.00 56.68 A C\nATOM 826 O LYS A 806 17.865 25.192 35.011 1.00 53.97 A O\nATOM 827 CB LYS A 806 20.268 27.288 33.806 1.00 43.12 A C\nATOM 828 CG LYS A 806 21.042 26.183 34.499 1.00 58.87 A C\nATOM 829 CD LYS A 806 22.491 26.560 34.763 1.00 64.56 A C\nATOM 830 CE LYS A 806 23.200 25.398 35.441 1.00 65.16 A C\nATOM 831 NZ LYS A 806 24.382 25.844 36.218 1.00 60.36 A N\nATOM 832 N ASP A 807 17.965 27.256 35.904 1.00 53.18 A N\nATOM 833 CA ASP A 807 17.482 26.843 37.231 1.00 56.78 A C\nATOM 834 C ASP A 807 16.028 26.323 37.271 1.00 63.01 A C\nATOM 835 O ASP A 807 15.553 25.851 38.313 1.00 56.81 A O\nATOM 836 CB ASP A 807 17.667 27.995 38.233 1.00 62.76 A C\nATOM 837 CG ASP A 807 19.124 28.431 38.363 1.00 73.79 A C\nATOM 838 OD1 ASP A 807 20.027 27.618 38.050 1.00 68.87 A O\nATOM 839 OD2 ASP A 807 19.366 29.586 38.782 1.00 75.03 A O\nATOM 840 N ASN A 808 15.330 26.396 36.142 1.00 45.89 A N\nATOM 841 CA ASN A 808 13.943 25.914 36.067 1.00 56.29 A C\nATOM 842 C ASN A 808 13.695 24.837 35.025 1.00 52.02 A C\nATOM 843 O ASN A 808 12.554 24.400 34.845 1.00 49.29 A O\nATOM 844 CB ASN A 808 12.980 27.078 35.838 1.00 48.40 A C\nATOM 845 CG ASN A 808 12.826 27.946 37.065 1.00 62.63 A C\nATOM 846 OD1 ASN A 808 12.477 27.461 38.144 1.00 73.28 A O\nATOM 847 ND2 ASN A 808 13.085 29.238 36.909 1.00 61.06 A N\nATOM 848 N ILE A 809 14.753 24.416 34.339 1.00 48.57 A N\nATOM 849 CA ILE A 809 14.637 23.400 33.288 1.00 41.03 A C\nATOM 850 C ILE A 809 14.874 21.999 33.849 1.00 45.86 A C\nATOM 851 O ILE A 809 15.958 21.694 34.351 1.00 41.10 A O\nATOM 852 CB ILE A 809 15.604 23.686 32.115 1.00 41.13 A C\nATOM 853 CG1 ILE A 809 15.190 24.972 31.390 1.00 35.35 A C\nATOM 854 CG2 ILE A 809 15.645 22.510 31.144 1.00 38.57 A C\nATOM 855 CD1 ILE A 809 16.272 25.545 30.484 1.00 34.81 A C\nATOM 856 N GLY A 810 13.852 21.151 33.736 1.00 42.20 A N\nATOM 857 CA GLY A 810 13.925 19.761 34.180 1.00 45.43 A C\nATOM 858 C GLY A 810 14.296 18.770 33.086 1.00 40.55 A C\nATOM 859 O GLY A 810 14.349 19.116 31.901 1.00 40.46 A O\nATOM 860 N SER A 811 14.534 17.525 33.485 1.00 36.70 A N\nATOM 861 CA SER A 811 15.009 16.508 32.567 1.00 39.63 A C\nATOM 862 C SER A 811 14.044 16.236 31.431 1.00 40.65 A C\nATOM 863 O SER A 811 14.482 15.944 30.322 1.00 35.55 A O\nATOM 864 CB SER A 811 15.310 15.211 33.314 1.00 42.84 A C\nATOM 865 OG SER A 811 14.205 14.860 34.128 1.00 46.09 A O\nATOM 866 N GLN A 812 12.738 16.306 31.721 1.00 36.00 A N\nATOM 867 CA GLN A 812 11.706 16.021 30.737 1.00 37.19 A C\nATOM 868 C GLN A 812 11.785 16.967 29.549 1.00 36.52 A C\nATOM 869 O GLN A 812 11.662 16.540 28.397 1.00 33.95 A O\nATOM 870 CB GLN A 812 10.313 16.118 31.379 1.00 42.80 A C\nATOM 871 CG GLN A 812 9.171 15.675 30.473 1.00 41.78 A C\nATOM 872 CD GLN A 812 9.182 14.179 30.210 1.00 46.95 A C\nATOM 873 OE1 GLN A 812 8.750 13.390 31.044 1.00 44.42 A O\nATOM 874 NE2 GLN A 812 9.675 13.785 29.044 1.00 42.08 A N\nATOM 875 N TYR A 813 11.963 18.254 29.832 1.00 32.34 A N\nATOM 876 CA TYR A 813 12.030 19.240 28.771 1.00 32.29 A C\nATOM 877 C TYR A 813 13.266 19.034 27.908 1.00 31.16 A C\nATOM 878 O TYR A 813 13.163 19.089 26.680 1.00 29.68 A O\nATOM 879 CB TYR A 813 12.024 20.652 29.344 1.00 38.14 A C\nATOM 880 CG TYR A 813 10.622 21.155 29.638 1.00 51.63 A C\nATOM 881 CD1 TYR A 813 9.906 21.869 28.679 1.00 54.26 A C\nATOM 882 CD2 TYR A 813 10.009 20.895 30.864 1.00 53.00 A C\nATOM 883 CE1 TYR A 813 8.622 22.329 28.940 1.00 68.44 A C\nATOM 884 CE2 TYR A 813 8.726 21.352 31.135 1.00 63.66 A C\nATOM 885 CZ TYR A 813 8.039 22.066 30.169 1.00 71.43 A C\nATOM 886 OH TYR A 813 6.767 22.523 30.430 1.00 76.05 A O\nATOM 887 N LEU A 814 14.420 18.807 28.549 1.00 36.58 A N\nATOM 888 CA LEU A 814 15.674 18.661 27.821 1.00 30.86 A C\nATOM 889 C LEU A 814 15.637 17.463 26.892 1.00 35.35 A C\nATOM 890 O LEU A 814 16.056 17.551 25.749 1.00 32.61 A O\nATOM 891 CB LEU A 814 16.871 18.486 28.781 1.00 34.36 A C\nATOM 892 CG LEU A 814 17.315 19.756 29.502 1.00 32.88 A C\nATOM 893 CD1 LEU A 814 18.045 19.417 30.796 1.00 31.09 A C\nATOM 894 CD2 LEU A 814 18.149 20.612 28.556 1.00 31.70 A C\nATOM 895 N LEU A 815 15.127 16.340 27.389 1.00 32.49 A N\nATOM 896 CA LEU A 815 15.018 15.148 26.557 1.00 32.42 A C\nATOM 897 C LEU A 815 13.996 15.297 25.445 1.00 28.76 A C\nATOM 898 O LEU A 815 14.208 14.802 24.337 1.00 26.06 A O\nATOM 899 CB LEU A 815 14.741 13.911 27.415 1.00 29.83 A C\nATOM 900 CG LEU A 815 15.915 13.501 28.312 1.00 33.92 A C\nATOM 901 CD1 LEU A 815 15.462 12.483 29.345 1.00 36.17 A C\nATOM 902 CD2 LEU A 815 17.080 12.941 27.508 1.00 37.71 A C\nATOM 903 N ASN A 816 12.867 15.947 25.736 1.00 30.63 A N\nATOM 904 CA ASN A 816 11.881 16.223 24.681 1.00 31.65 A C\nATOM 905 C ASN A 816 12.464 17.122 23.582 1.00 28.45 A C\nATOM 906 O ASN A 816 12.242 16.892 22.404 1.00 28.56 A O\nATOM 907 CB ASN A 816 10.589 16.848 25.249 1.00 31.15 A C\nATOM 908 CG ASN A 816 9.707 15.839 25.984 1.00 41.85 A C\nATOM 909 OD1 ASN A 816 9.945 14.631 25.965 1.00 44.46 A O\nATOM 910 ND2 ASN A 816 8.653 16.349 26.627 1.00 44.28 A N\nATOM 911 N TRP A 817 13.245 18.122 23.953 1.00 31.52 A N\nATOM 912 CA TRP A 817 13.885 18.918 22.908 1.00 34.10 A C\nATOM 913 C TRP A 817 14.764 18.075 21.997 1.00 28.46 A C\nATOM 914 O TRP A 817 14.776 18.295 20.785 1.00 27.78 A O\nATOM 915 CB TRP A 817 14.656 20.106 23.455 1.00 35.22 A C\nATOM 916 CG TRP A 817 13.763 21.120 24.175 1.00 35.48 A C\nATOM 917 CD1 TRP A 817 12.435 21.414 23.920 1.00 38.29 A C\nATOM 918 CD2 TRP A 817 14.147 21.925 25.286 1.00 33.22 A C\nATOM 919 NE1 TRP A 817 11.996 22.373 24.796 1.00 34.21 A N\nATOM 920 CE2 TRP A 817 13.019 22.700 25.653 1.00 42.26 A C\nATOM 921 CE3 TRP A 817 15.343 22.066 26.017 1.00 35.06 A C\nATOM 922 CZ2 TRP A 817 13.048 23.613 26.725 1.00 36.27 A C\nATOM 923 CZ3 TRP A 817 15.376 22.974 27.084 1.00 37.42 A C\nATOM 924 CH2 TRP A 817 14.226 23.738 27.424 1.00 39.45 A C\nATOM 925 N CYS A 818 15.495 17.121 22.578 1.00 31.30 A N\nATOM 926 CA CYS A 818 16.398 16.272 21.797 1.00 28.29 A C\nATOM 927 C CYS A 818 15.629 15.435 20.803 1.00 27.53 A C\nATOM 928 O CYS A 818 16.079 15.239 19.659 1.00 24.60 A O\nATOM 929 CB CYS A 818 17.216 15.373 22.712 1.00 30.70 A C\nATOM 930 SG CYS A 818 18.371 16.323 23.741 1.00 32.48 A S\nATOM 931 N VAL A 819 14.447 14.962 21.226 1.00 29.56 A N\nATOM 932 CA VAL A 819 13.585 14.184 20.330 1.00 26.87 A C\nATOM 933 C VAL A 819 13.133 15.070 19.189 1.00 22.48 A C\nATOM 934 O VAL A 819 13.221 14.688 18.026 1.00 27.83 A O\nATOM 935 CB VAL A 819 12.334 13.601 21.046 1.00 30.60 A C\nATOM 936 CG1 VAL A 819 11.386 12.992 20.031 1.00 33.23 A C\nATOM 937 CG2 VAL A 819 12.751 12.531 22.052 1.00 33.03 A C\nATOM 938 N GLN A 820 12.588 16.240 19.538 1.00 25.20 A N\nATOM 939 CA GLN A 820 12.071 17.161 18.544 1.00 24.15 A C\nATOM 940 C GLN A 820 13.084 17.584 17.506 1.00 28.99 A C\nATOM 941 O GLN A 820 12.771 17.653 16.320 1.00 26.26 A O\nATOM 942 CB GLN A 820 11.485 18.387 19.236 1.00 30.21 A C\nATOM 943 CG GLN A 820 10.167 18.044 19.948 1.00 29.63 A C\nATOM 944 CD GLN A 820 9.625 19.192 20.778 1.00 40.17 A C\nATOM 945 OE1 GLN A 820 10.012 20.344 20.586 1.00 38.95 A O\nATOM 946 NE2 GLN A 820 8.715 18.876 21.719 1.00 39.16 A N\nATOM 947 N ILE A 821 14.286 17.887 17.970 1.00 26.92 A N\nATOM 948 CA ILE A 821 15.378 18.243 17.044 1.00 27.15 A C\nATOM 949 C ILE A 821 15.708 17.057 16.121 1.00 21.32 A C\nATOM 950 O ILE A 821 15.835 17.221 14.917 1.00 22.85 A O\nATOM 951 CB ILE A 821 16.633 18.777 17.769 1.00 28.62 A C\nATOM 952 CG1 ILE A 821 16.328 20.096 18.516 1.00 25.26 A C\nATOM 953 CG2 ILE A 821 17.749 18.986 16.749 1.00 24.04 A C\nATOM 954 CD1 ILE A 821 17.358 20.475 19.579 1.00 24.33 A C\nATOM 955 N ALA A 822 15.776 15.855 16.678 1.00 23.15 A N\nATOM 956 CA ALA A 822 16.024 14.676 15.861 1.00 26.29 A C\nATOM 957 C ALA A 822 14.870 14.421 14.888 1.00 22.85 A C\nATOM 958 O ALA A 822 15.078 14.004 13.766 1.00 22.39 A O\nATOM 959 CB ALA A 822 16.303 13.459 16.738 1.00 32.12 A C\nATOM 960 N LYS A 823 13.620 14.706 15.281 1.00 22.94 A N\nATOM 961 CA LYS A 823 12.570 14.518 14.276 1.00 24.82 A C\nATOM 962 C LYS A 823 12.712 15.503 13.100 1.00 23.26 A C\nATOM 963 O LYS A 823 12.557 15.124 11.928 1.00 26.11 A O\nATOM 964 CB LYS A 823 11.183 14.694 14.927 1.00 22.51 A C\nATOM 965 CG LYS A 823 10.779 13.603 15.894 1.00 28.59 A C\nATOM 966 CD LYS A 823 9.395 13.859 16.515 1.00 31.72 A C\nATOM 967 CE LYS A 823 9.078 12.757 17.512 1.00 37.15 A C\nATOM 968 NZ LYS A 823 7.670 12.819 18.034 1.00 38.50 A N\nATOM 969 N GLY A 824 12.985 16.775 13.391 1.00 25.36 A N\nATOM 970 CA GLY A 824 13.145 17.759 12.309 1.00 29.39 A C\nATOM 971 C GLY A 824 14.330 17.419 11.403 1.00 26.12 A C\nATOM 972 O GLY A 824 14.287 17.590 10.179 1.00 24.27 A O\nATOM 973 N MET A 825 15.416 16.956 12.009 1.00 27.53 A N\nATOM 974 CA MET A 825 16.585 16.546 11.189 1.00 24.74 A C\nATOM 975 C MET A 825 16.271 15.293 10.348 1.00 23.11 A C\nATOM 976 O MET A 825 16.627 15.224 9.171 1.00 25.98 A O\nATOM 977 CB MET A 825 17.820 16.335 12.068 1.00 26.81 A C\nATOM 978 CG MET A 825 18.301 17.619 12.738 1.00 28.15 A C\nATOM 979 SD MET A 825 18.784 18.939 11.613 1.00 28.88 A S\nATOM 980 CE MET A 825 20.287 18.281 10.877 1.00 27.33 A C\nATOM 981 N ASN A 826 15.517 14.352 10.905 1.00 27.36 A N\nATOM 982 CA ASN A 826 15.105 13.212 10.109 1.00 26.66 A C\nATOM 983 C ASN A 826 14.194 13.641 8.933 1.00 24.20 A C\nATOM 984 O ASN A 826 14.274 13.071 7.825 1.00 22.04 A O\nATOM 985 CB ASN A 826 14.425 12.149 10.976 1.00 26.04 A C\nATOM 986 CG ASN A 826 14.052 10.912 10.187 1.00 28.55 A C\nATOM 987 OD1 ASN A 826 14.915 10.179 9.684 1.00 27.71 A O\nATOM 988 ND2 ASN A 826 12.746 10.665 10.078 1.00 31.03 A N\nATOM 989 N TYR A 827 13.365 14.662 9.159 1.00 30.63 A N\nATOM 990 CA TYR A 827 12.519 15.203 8.080 1.00 29.94 A C\nATOM 991 C TYR A 827 13.389 15.835 7.001 1.00 30.42 A C\nATOM 992 O TYR A 827 13.182 15.591 5.813 1.00 26.26 A O\nATOM 993 CB TYR A 827 11.488 16.219 8.608 1.00 27.76 A C\nATOM 994 CG TYR A 827 10.671 16.810 7.495 1.00 26.46 A C\nATOM 995 CD1 TYR A 827 9.442 16.223 7.089 1.00 28.24 A C\nATOM 996 CD2 TYR A 827 11.074 17.986 6.891 1.00 26.58 A C\nATOM 997 CE1 TYR A 827 8.711 16.792 6.051 1.00 24.43 A C\nATOM 998 CE2 TYR A 827 10.380 18.533 5.846 1.00 24.77 A C\nATOM 999 CZ TYR A 827 9.154 17.955 5.472 1.00 29.96 A C\nATOM 1000 OH TYR A 827 8.510 18.524 4.443 1.00 28.47 A O\nATOM 1001 N LEU A 828 14.400 16.619 7.395 1.00 28.36 A N\nATOM 1002 CA LEU A 828 15.313 17.165 6.391 1.00 30.91 A C\nATOM 1003 C LEU A 828 16.033 16.056 5.597 1.00 25.76 A C\nATOM 1004 O LEU A 828 16.242 16.188 4.400 1.00 24.44 A O\nATOM 1005 CB LEU A 828 16.298 18.149 7.029 1.00 24.38 A C\nATOM 1006 CG LEU A 828 15.708 19.448 7.601 1.00 26.71 A C\nATOM 1007 CD1 LEU A 828 16.776 20.314 8.270 1.00 34.46 A C\nATOM 1008 CD2 LEU A 828 15.025 20.236 6.478 1.00 32.58 A C\nATOM 1009 N GLU A 829 16.362 14.944 6.253 1.00 26.25 A N\nATOM 1010 CA GLU A 829 17.037 13.848 5.551 1.00 25.11 A C\nATOM 1011 C GLU A 829 16.085 13.197 4.524 1.00 28.25 A C\nATOM 1012 O GLU A 829 16.466 12.860 3.407 1.00 26.58 A O\nATOM 1013 CB GLU A 829 17.688 12.862 6.540 1.00 24.51 A C\nATOM 1014 CG GLU A 829 18.425 11.676 5.898 1.00 30.84 A C\nATOM 1015 CD GLU A 829 19.136 10.739 6.887 1.00 29.05 A C\nATOM 1016 OE1 GLU A 829 19.042 10.932 8.126 1.00 33.17 A O\nATOM 1017 OE2 GLU A 829 19.758 9.762 6.413 1.00 25.79 A O\nATOM 1018 N ASP A 830 14.822 13.067 4.895 1.00 28.69 A N\nATOM 1019 CA ASP A 830 13.805 12.642 3.916 1.00 32.95 A C\nATOM 1020 C ASP A 830 13.687 13.610 2.727 1.00 30.22 A C\nATOM 1021 O ASP A 830 13.474 13.181 1.591 1.00 31.90 A O\nATOM 1022 CB ASP A 830 12.453 12.404 4.600 1.00 30.71 A C\nATOM 1023 CG ASP A 830 12.429 11.120 5.445 1.00 33.56 A C\nATOM 1024 OD1 ASP A 830 11.726 11.097 6.469 1.00 33.94 A O\nATOM 1025 OD2 ASP A 830 13.131 10.142 5.116 1.00 34.53 A O\nATOM 1026 N ARG A 831 13.844 14.905 2.985 1.00 24.69 A N\nATOM 1027 CA ARG A 831 13.849 15.901 1.922 1.00 27.76 A C\nATOM 1028 C ARG A 831 15.213 15.968 1.207 1.00 30.75 A C\nATOM 1029 O ARG A 831 15.390 16.755 0.314 1.00 33.68 A O\nATOM 1030 CB ARG A 831 13.443 17.294 2.460 1.00 31.23 A C\nATOM 1031 CG ARG A 831 11.941 17.456 2.717 1.00 48.98 A C\nATOM 1032 CD ARG A 831 11.132 17.048 1.486 1.00 54.64 A C\nATOM 1033 NE ARG A 831 9.727 17.486 1.420 1.00 61.13 A N\nATOM 1034 CZ ARG A 831 9.329 18.755 1.320 1.00 57.98 A C\nATOM 1035 NH1 ARG A 831 8.030 19.054 1.222 1.00 43.34 A N\nATOM 1036 NH2 ARG A 831 10.224 19.734 1.332 1.00 75.24 A N\nATOM 1037 N ARG A 832 16.169 15.134 1.608 1.00 32.01 A N\nATOM 1038 CA ARG A 832 17.523 15.181 0.987 1.00 25.88 A C\nATOM 1039 C ARG A 832 18.165 16.581 1.055 1.00 26.82 A C\nATOM 1040 O ARG A 832 18.870 17.014 0.144 1.00 39.99 A O\nATOM 1041 CB ARG A 832 17.481 14.595 -0.449 1.00 26.75 A C\nATOM 1042 CG ARG A 832 16.852 13.203 -0.493 1.00 38.69 A C\nATOM 1043 CD ARG A 832 16.749 12.615 -1.901 1.00 44.66 A C\nATOM 1044 NE ARG A 832 18.060 12.375 -2.490 1.00 43.81 A N\nATOM 1045 CZ ARG A 832 18.292 12.142 -3.782 1.00 59.18 A C\nATOM 1046 NH1 ARG A 832 19.539 11.932 -4.198 1.00 65.97 A N\nATOM 1047 NH2 ARG A 832 17.295 12.120 -4.663 1.00 52.24 A N\nATOM 1048 N LEU A 833 17.972 17.251 2.186 1.00 27.81 A N\nATOM 1049 CA LEU A 833 18.510 18.577 2.418 1.00 34.21 A C\nATOM 1050 C LEU A 833 19.449 18.523 3.624 1.00 34.74 A C\nATOM 1051 O LEU A 833 18.999 18.429 4.771 1.00 30.53 A O\nATOM 1052 CB LEU A 833 17.364 19.579 2.657 1.00 34.42 A C\nATOM 1053 CG LEU A 833 17.613 21.095 2.539 1.00 38.35 A C\nATOM 1054 CD1 LEU A 833 16.355 21.860 2.907 1.00 47.96 A C\nATOM 1055 CD2 LEU A 833 18.768 21.594 3.393 1.00 52.23 A C\nATOM 1056 N VAL A 834 20.755 18.551 3.363 1.00 26.72 A N\nATOM 1057 CA VAL A 834 21.728 18.644 4.437 1.00 25.51 A C\nATOM 1058 C VAL A 834 21.700 20.057 5.048 1.00 23.33 A C\nATOM 1059 O VAL A 834 21.694 21.057 4.313 1.00 28.02 A O\nATOM 1060 CB VAL A 834 23.156 18.309 3.917 1.00 25.87 A C\nATOM 1061 CG1 VAL A 834 24.100 18.192 5.115 1.00 23.90 A C\nATOM 1062 CG2 VAL A 834 23.119 16.992 3.141 1.00 28.31 A C\nATOM 1063 N HIS A 835 21.660 20.124 6.381 1.00 24.32 A N\nATOM 1064 CA HIS A 835 21.506 21.383 7.113 1.00 23.28 A C\nATOM 1065 C HIS A 835 22.785 22.162 6.940 1.00 27.03 A C\nATOM 1066 O HIS A 835 22.813 23.290 6.411 1.00 26.76 A O\nATOM 1067 CB HIS A 835 21.277 21.097 8.607 1.00 22.96 A C\nATOM 1068 CG HIS A 835 20.801 22.288 9.388 1.00 25.87 A C\nATOM 1069 ND1 HIS A 835 21.552 23.426 9.550 1.00 25.72 A N\nATOM 1070 CD2 HIS A 835 19.625 22.522 10.030 1.00 29.70 A C\nATOM 1071 CE1 HIS A 835 20.875 24.313 10.264 1.00 26.78 A C\nATOM 1072 NE2 HIS A 835 19.701 23.783 10.576 1.00 27.19 A N\nATOM 1073 N ARG A 836 23.853 21.527 7.386 1.00 25.53 A N\nATOM 1074 CA ARG A 836 25.221 22.123 7.370 1.00 24.68 A C\nATOM 1075 C ARG A 836 25.537 23.182 8.437 1.00 30.73 A C\nATOM 1076 O ARG A 836 26.695 23.623 8.533 1.00 31.37 A O\nATOM 1077 CB ARG A 836 25.601 22.653 5.966 1.00 29.95 A C\nATOM 1078 CG ARG A 836 25.531 21.613 4.858 1.00 29.36 A C\nATOM 1079 CD ARG A 836 25.842 22.225 3.503 1.00 35.72 A C\nATOM 1080 NE ARG A 836 25.737 21.236 2.426 1.00 35.96 A N\nATOM 1081 CZ ARG A 836 24.613 20.915 1.795 1.00 42.66 A C\nATOM 1082 NH1 ARG A 836 23.454 21.500 2.119 1.00 43.85 A N\nATOM 1083 NH2 ARG A 836 24.655 20.006 0.825 1.00 45.95 A N\nATOM 1084 N ASP A 837 24.564 23.573 9.252 1.00 28.01 A N\nATOM 1085 CA ASP A 837 24.814 24.539 10.330 1.00 30.26 A C\nATOM 1086 C ASP A 837 23.893 24.288 11.553 1.00 24.80 A C\nATOM 1087 O ASP A 837 23.436 25.220 12.215 1.00 27.76 A O\nATOM 1088 CB ASP A 837 24.667 25.972 9.766 1.00 35.19 A C\nATOM 1089 CG ASP A 837 25.123 27.070 10.730 1.00 39.72 A C\nATOM 1090 OD1 ASP A 837 24.630 28.217 10.587 1.00 39.41 A O\nATOM 1091 OD2 ASP A 837 25.968 26.824 11.608 1.00 39.11 A O\nATOM 1092 N LEU A 838 23.664 23.019 11.894 1.00 22.90 A N\nATOM 1093 CA LEU A 838 22.936 22.738 13.109 1.00 26.01 A C\nATOM 1094 C LEU A 838 23.734 23.109 14.359 1.00 31.57 A C\nATOM 1095 O LEU A 838 24.933 22.815 14.484 1.00 23.80 A O\nATOM 1096 CB LEU A 838 22.428 21.289 13.139 1.00 23.02 A C\nATOM 1097 CG LEU A 838 21.594 20.979 14.380 1.00 21.58 A C\nATOM 1098 CD1 LEU A 838 20.220 21.710 14.325 1.00 23.98 A C\nATOM 1099 CD2 LEU A 838 21.381 19.486 14.377 1.00 26.15 A C\nATOM 1100 N ALA A 839 23.056 23.809 15.260 1.00 25.46 A N\nATOM 1101 CA ALA A 839 23.624 24.344 16.489 1.00 26.75 A C\nATOM 1102 C ALA A 839 22.450 24.802 17.349 1.00 26.96 A C\nATOM 1103 O ALA A 839 21.368 25.075 16.818 1.00 27.56 A O\nATOM 1104 CB ALA A 839 24.560 25.503 16.172 1.00 26.89 A C\nATOM 1105 N ALA A 840 22.647 24.874 18.660 1.00 25.41 A N\nATOM 1106 CA ALA A 840 21.586 25.344 19.568 1.00 28.19 A C\nATOM 1107 C ALA A 840 21.088 26.729 19.178 1.00 32.62 A C\nATOM 1108 O ALA A 840 19.888 27.022 19.337 1.00 26.09 A O\nATOM 1109 CB ALA A 840 22.036 25.315 21.015 1.00 31.55 A C\nATOM 1110 N ARG A 841 21.988 27.573 18.667 1.00 26.53 A N\nATOM 1111 CA ARG A 841 21.564 28.878 18.116 1.00 33.68 A C\nATOM 1112 C ARG A 841 20.540 28.815 16.971 1.00 29.87 A C\nATOM 1113 O ARG A 841 19.785 29.780 16.780 1.00 30.30 A O\nATOM 1114 CB ARG A 841 22.764 29.723 17.692 1.00 28.34 A C\nATOM 1115 CG ARG A 841 23.404 29.295 16.373 1.00 26.85 A C\nATOM 1116 CD ARG A 841 24.776 29.947 16.162 1.00 29.53 A C\nATOM 1117 NE ARG A 841 25.422 29.243 15.073 1.00 31.29 A N\nATOM 1118 CZ ARG A 841 26.341 28.302 15.254 1.00 39.55 A C\nATOM 1119 NH1 ARG A 841 26.771 28.031 16.482 1.00 34.98 A N\nATOM 1120 NH2 ARG A 841 26.851 27.654 14.208 1.00 34.16 A N\nATOM 1121 N ASN A 842 20.510 27.690 16.239 1.00 27.08 A N\nATOM 1122 CA ASN A 842 19.637 27.487 15.083 1.00 30.03 A C\nATOM 1123 C ASN A 842 18.422 26.601 15.370 1.00 24.67 A C\nATOM 1124 O ASN A 842 17.845 25.978 14.469 1.00 27.99 A O\nATOM 1125 CB ASN A 842 20.435 27.010 13.873 1.00 29.06 A C\nATOM 1126 CG ASN A 842 21.262 28.134 13.254 1.00 37.72 A C\nATOM 1127 OD1 ASN A 842 20.864 29.305 13.306 1.00 30.50 A O\nATOM 1128 ND2 ASN A 842 22.422 27.794 12.679 1.00 29.81 A N\nATOM 1129 N VAL A 843 18.136 26.486 16.658 1.00 23.76 A N\nATOM 1130 CA VAL A 843 16.903 25.867 17.159 1.00 30.91 A C\nATOM 1131 C VAL A 843 16.114 26.985 17.836 1.00 31.47 A C\nATOM 1132 O VAL A 843 16.638 27.662 18.721 1.00 31.89 A O\nATOM 1133 CB VAL A 843 17.212 24.725 18.140 1.00 27.97 A C\nATOM 1134 CG1 VAL A 843 15.915 24.065 18.619 1.00 27.30 A C\nATOM 1135 CG2 VAL A 843 18.140 23.693 17.466 1.00 24.18 A C\nATOM 1136 N LEU A 844 14.852 27.149 17.445 1.00 31.01 A N\nATOM 1137 CA LEU A 844 14.016 28.272 17.951 1.00 28.78 A C\nATOM 1138 C LEU A 844 12.878 27.747 18.798 1.00 31.95 A C\nATOM 1139 O LEU A 844 12.356 26.667 18.531 1.00 29.93 A O\nATOM 1140 CB LEU A 844 13.463 29.114 16.782 1.00 31.04 A C\nATOM 1141 CG LEU A 844 14.521 29.764 15.877 1.00 31.25 A C\nATOM 1142 CD1 LEU A 844 13.961 30.700 14.816 1.00 33.04 A C\nATOM 1143 CD2 LEU A 844 15.550 30.506 16.706 1.00 35.54 A C\nATOM 1144 N VAL A 845 12.508 28.516 19.819 1.00 33.45 A N\nATOM 1145 CA VAL A 845 11.410 28.169 20.722 1.00 37.40 A C\nATOM 1146 C VAL A 845 10.050 28.660 20.197 1.00 39.79 A C\nATOM 1147 O VAL A 845 9.791 29.864 20.151 1.00 40.55 A O\nATOM 1148 CB VAL A 845 11.706 28.704 22.144 1.00 37.90 A C\nATOM 1149 CG1 VAL A 845 10.598 28.332 23.123 1.00 34.42 A C\nATOM 1150 CG2 VAL A 845 13.046 28.162 22.639 1.00 34.23 A C\nATOM 1151 N LYS A 846 9.193 27.725 19.786 1.00 36.10 A N\nATOM 1152 CA LYS A 846 7.792 28.043 19.467 1.00 43.58 A C\nATOM 1153 C LYS A 846 7.040 28.141 20.792 1.00 38.19 A C\nATOM 1154 O LYS A 846 6.412 29.158 21.072 1.00 44.16 A O\nATOM 1155 CB LYS A 846 7.146 27.007 18.536 1.00 37.43 A C\nATOM 1156 CG LYS A 846 5.735 27.380 18.068 1.00 51.46 A C\nATOM 1157 CD LYS A 846 5.003 26.147 17.561 1.00 57.04 A C\nATOM 1158 CE LYS A 846 4.089 26.461 16.386 1.00 75.97 A C\nATOM 1159 NZ LYS A 846 2.821 27.114 16.809 1.00 61.01 A N\nATOM 1160 N THR A 847 7.130 27.085 21.599 1.00 36.95 A N\nATOM 1161 CA THR A 847 6.734 27.118 23.010 1.00 39.96 A C\nATOM 1162 C THR A 847 7.791 26.344 23.785 1.00 49.25 A C\nATOM 1163 O THR A 847 8.513 25.553 23.189 1.00 46.91 A O\nATOM 1164 CB THR A 847 5.344 26.477 23.270 1.00 42.03 A C\nATOM 1165 OG1 THR A 847 5.416 25.049 23.139 1.00 40.28 A O\nATOM 1166 CG2 THR A 847 4.263 27.039 22.331 1.00 47.29 A C\nATOM 1167 N PRO A 848 7.901 26.572 25.111 1.00 47.74 A N\nATOM 1168 CA PRO A 848 8.844 25.778 25.902 1.00 44.52 A C\nATOM 1169 C PRO A 848 8.762 24.277 25.619 1.00 44.91 A C\nATOM 1170 O PRO A 848 9.757 23.575 25.766 1.00 45.92 A O\nATOM 1171 CB PRO A 848 8.410 26.061 27.339 1.00 47.17 A C\nATOM 1172 CG PRO A 848 7.836 27.433 27.296 1.00 54.20 A C\nATOM 1173 CD PRO A 848 7.324 27.679 25.899 1.00 53.60 A C\nATOM 1174 N GLN A 849 7.596 23.779 25.211 1.00 43.27 A N\nATOM 1175 CA GLN A 849 7.475 22.347 24.901 1.00 42.19 A C\nATOM 1176 C GLN A 849 7.481 22.009 23.389 1.00 42.64 A C\nATOM 1177 O GLN A 849 7.190 20.866 23.001 1.00 45.37 A O\nATOM 1178 CB GLN A 849 6.267 21.718 25.627 1.00 58.29 A C\nATOM 1179 CG GLN A 849 4.961 22.504 25.555 1.00 66.43 A C\nATOM 1180 CD GLN A 849 4.884 23.642 26.570 1.00 62.36 A C\nATOM 1181 OE1 GLN A 849 4.609 24.782 26.211 1.00 63.71 A O\nATOM 1182 NE2 GLN A 849 5.141 23.334 27.838 1.00 63.07 A N\nATOM 1183 N HIS A 850 7.806 22.998 22.549 1.00 43.34 A N\nATOM 1184 CA HIS A 850 7.827 22.837 21.080 1.00 36.09 A C\nATOM 1185 C HIS A 850 8.939 23.707 20.451 1.00 35.72 A C\nATOM 1186 O HIS A 850 8.834 24.935 20.398 1.00 38.30 A O\nATOM 1187 CB HIS A 850 6.465 23.232 20.495 1.00 47.52 A C\nATOM 1188 CG HIS A 850 6.285 22.897 19.044 1.00 56.05 A C\nATOM 1189 ND1 HIS A 850 5.061 22.545 18.513 1.00 67.56 A N\nATOM 1190 CD2 HIS A 850 7.165 22.862 18.013 1.00 46.60 A C\nATOM 1191 CE1 HIS A 850 5.195 22.314 17.219 1.00 61.32 A C\nATOM 1192 NE2 HIS A 850 6.461 22.497 16.891 1.00 50.10 A N\nATOM 1193 N VAL A 851 9.997 23.065 19.957 1.00 30.62 A N\nATOM 1194 CA VAL A 851 11.119 23.801 19.316 1.00 27.66 A C\nATOM 1195 C VAL A 851 11.258 23.414 17.837 1.00 29.34 A C\nATOM 1196 O VAL A 851 10.790 22.339 17.409 1.00 37.31 A O\nATOM 1197 CB VAL A 851 12.459 23.615 20.093 1.00 27.08 A C\nATOM 1198 CG1 VAL A 851 12.320 24.093 21.527 1.00 28.71 A C\nATOM 1199 CG2 VAL A 851 12.917 22.166 20.074 1.00 29.61 A C\nATOM 1200 N LYS A 852 11.848 24.295 17.049 1.00 25.66 A N\nATOM 1201 CA LYS A 852 11.927 24.130 15.593 1.00 29.99 A C\nATOM 1202 C LYS A 852 13.322 24.502 15.084 1.00 31.41 A C\nATOM 1203 O LYS A 852 13.919 25.461 15.577 1.00 32.82 A O\nATOM 1204 CB LYS A 852 10.930 25.045 14.883 1.00 29.63 A C\nATOM 1205 CG LYS A 852 9.481 24.848 15.301 1.00 35.70 A C\nATOM 1206 CD LYS A 852 8.547 25.799 14.559 1.00 39.50 A C\nATOM 1207 CE LYS A 852 8.240 25.299 13.156 1.00 45.39 A C\nATOM 1208 NZ LYS A 852 7.134 26.073 12.523 1.00 54.24 A N\nATOM 1209 N ILE A 853 13.787 23.781 14.065 1.00 27.56 A N\nATOM 1210 CA ILE A 853 15.114 24.014 13.466 1.00 30.12 A C\nATOM 1211 C ILE A 853 15.005 25.045 12.339 1.00 31.59 A C\nATOM 1212 O ILE A 853 14.017 25.067 11.596 1.00 31.70 A O\nATOM 1213 CB ILE A 853 15.695 22.700 12.885 1.00 25.76 A C\nATOM 1214 CG1 ILE A 853 15.805 21.647 13.983 1.00 26.76 A C\nATOM 1215 CG2 ILE A 853 17.031 22.964 12.191 1.00 32.39 A C\nATOM 1216 CD1 ILE A 853 15.788 20.251 13.420 1.00 36.59 A C\nATOM 1217 N THR A 854 16.008 25.909 12.237 1.00 25.25 A N\nATOM 1218 CA THR A 854 16.073 26.896 11.179 1.00 27.24 A C\nATOM 1219 C THR A 854 17.503 26.936 10.582 1.00 28.06 A C\nATOM 1220 O THR A 854 18.380 26.227 11.069 1.00 31.74 A O\nATOM 1221 CB THR A 854 15.656 28.302 11.705 1.00 24.66 A C\nATOM 1222 OG1 THR A 854 15.473 29.166 10.579 1.00 25.50 A O\nATOM 1223 CG2 THR A 854 16.714 28.916 12.649 1.00 28.04 A C\nATOM 1224 N ASP A 855 17.692 27.727 9.517 1.00 26.22 A N\nATOM 1225 CA ASP A 855 19.025 28.078 8.949 1.00 33.58 A C\nATOM 1226 C ASP A 855 19.662 26.928 8.139 1.00 27.70 A C\nATOM 1227 O ASP A 855 20.866 26.952 7.856 1.00 41.67 A O\nATOM 1228 CB ASP A 855 19.977 28.578 10.059 1.00 34.40 A C\nATOM 1229 CG ASP A 855 20.915 29.702 9.592 1.00 43.40 A C\nATOM 1230 OD1 ASP A 855 20.500 30.546 8.761 1.00 40.77 A O\nATOM 1231 OD2 ASP A 855 22.072 29.765 10.083 1.00 42.67 A O\nATOM 1232 N PHE A 856 18.848 25.931 7.775 1.00 31.84 A N\nATOM 1233 CA PHE A 856 19.295 24.768 6.988 1.00 27.77 A C\nATOM 1234 C PHE A 856 19.514 25.134 5.526 1.00 38.25 A C\nATOM 1235 O PHE A 856 18.707 25.862 4.918 1.00 35.00 A O\nATOM 1236 CB PHE A 856 18.299 23.609 7.116 1.00 31.72 A C\nATOM 1237 CG PHE A 856 16.859 24.013 6.902 1.00 37.42 A C\nATOM 1238 CD1 PHE A 856 16.058 24.398 7.982 1.00 39.39 A C\nATOM 1239 CD2 PHE A 856 16.313 24.012 5.628 1.00 35.12 A C\nATOM 1240 CE1 PHE A 856 14.722 24.772 7.786 1.00 33.38 A C\nATOM 1241 CE2 PHE A 856 14.977 24.374 5.431 1.00 41.41 A C\nATOM 1242 CZ PHE A 856 14.198 24.755 6.510 1.00 31.08 A C\nATOM 1243 N GLY A 857 20.622 24.655 4.960 1.00 31.90 A N\nATOM 1244 CA GLY A 857 20.859 24.804 3.519 1.00 31.25 A C\nATOM 1245 C GLY A 857 21.491 26.110 3.089 1.00 35.22 A C\nATOM 1246 O GLY A 857 21.668 26.359 1.897 1.00 36.36 A O\nATOM 1247 N LEU A 858 21.834 26.959 4.051 1.00 36.41 A N\nATOM 1248 CA LEU A 858 22.374 28.251 3.733 1.00 33.90 A C\nATOM 1249 C LEU A 858 23.850 28.082 3.359 1.00 36.55 A C\nATOM 1250 O LEU A 858 24.343 28.746 2.449 1.00 35.70 A O\nATOM 1251 CB LEU A 858 22.223 29.193 4.931 1.00 41.10 A C\nATOM 1252 CG LEU A 858 22.171 30.700 4.704 1.00 43.83 A C\nATOM 1253 CD1 LEU A 858 21.064 31.083 3.723 1.00 46.99 A C\nATOM 1254 CD2 LEU A 858 21.948 31.375 6.046 1.00 35.64 A C\nATOM 1255 N ALA A 859 24.532 27.169 4.052 1.00 35.60 A N\nATOM 1256 CA ALA A 859 25.942 26.925 3.767 1.00 37.84 A C\nATOM 1257 C ALA A 859 26.099 26.444 2.330 1.00 40.12 A C\nATOM 1258 O ALA A 859 27.072 26.801 1.659 1.00 37.50 A O\nATOM 1259 CB ALA A 859 26.545 25.930 4.746 1.00 34.95 A C\nATOM 1260 N LYS A 860 25.133 25.648 1.851 1.00 35.37 A N\nATOM 1261 CA LYS A 860 25.130 25.217 0.457 1.00 40.64 A C\nATOM 1262 C LYS A 860 24.865 26.396 -0.464 1.00 37.43 A C\nATOM 1263 O LYS A 860 25.539 26.565 -1.475 1.00 43.25 A O\nATOM 1264 CB LYS A 860 24.093 24.118 0.194 1.00 47.18 A C\nATOM 1265 CG LYS A 860 23.823 23.875 -1.292 1.00 52.81 A C\nATOM 1266 CD LYS A 860 23.407 22.442 -1.573 1.00 54.14 A C\nATOM 1267 CE LYS A 860 23.585 22.101 -3.044 1.00 65.94 A C\nATOM 1268 NZ LYS A 860 23.618 20.628 -3.255 1.00 73.01 A N\nATOM 1269 N LEU A 861 23.869 27.198 -0.120 1.00 35.22 A N\nATOM 1270 CA LEU A 861 23.469 28.302 -0.989 1.00 42.52 A C\nATOM 1271 C LEU A 861 24.635 29.262 -1.217 1.00 43.31 A C\nATOM 1272 O LEU A 861 24.785 29.824 -2.307 1.00 42.59 A O\nATOM 1273 CB LEU A 861 22.281 29.042 -0.379 1.00 45.30 A C\nATOM 1274 CG LEU A 861 21.724 30.283 -1.079 1.00 60.80 A C\nATOM 1275 CD1 LEU A 861 21.344 29.986 -2.523 1.00 74.68 A C\nATOM 1276 CD2 LEU A 861 20.527 30.808 -0.297 1.00 46.66 A C\nATOM 1277 N LEU A 862 25.458 29.422 -0.184 1.00 43.61 A N\nATOM 1278 CA LEU A 862 26.554 30.390 -0.192 1.00 47.31 A C\nATOM 1279 C LEU A 862 27.869 29.821 -0.747 1.00 48.26 A C\nATOM 1280 O LEU A 862 28.882 30.523 -0.807 1.00 49.35 A O\nATOM 1281 CB LEU A 862 26.749 30.970 1.218 1.00 45.15 A C\nATOM 1282 CG LEU A 862 25.676 31.944 1.740 1.00 45.97 A C\nATOM 1283 CD1 LEU A 862 25.961 32.300 3.191 1.00 48.31 A C\nATOM 1284 CD2 LEU A 862 25.608 33.210 0.888 1.00 47.47 A C\nATOM 1285 N GLY A 863 27.853 28.549 -1.142 1.00 49.38 A N\nATOM 1286 CA GLY A 863 29.018 27.916 -1.781 1.00 45.16 A C\nATOM 1287 C GLY A 863 30.128 27.447 -0.847 1.00 39.80 A C\nATOM 1288 O GLY A 863 31.286 27.311 -1.271 1.00 50.15 A O\nATOM 1289 N ALA A 864 29.787 27.166 0.413 1.00 40.85 A N\nATOM 1290 CA ALA A 864 30.789 26.748 1.398 1.00 42.57 A C\nATOM 1291 C ALA A 864 31.329 25.336 1.148 1.00 38.79 A C\nATOM 1292 O ALA A 864 32.211 24.884 1.866 1.00 42.81 A O\nATOM 1293 CB ALA A 864 30.257 26.864 2.811 1.00 41.45 A C\nATOM 1294 N GLU A 865 30.779 24.650 0.148 1.00 36.82 A N\nATOM 1295 CA GLU A 865 31.281 23.322 -0.252 1.00 44.30 A C\nATOM 1296 C GLU A 865 32.377 23.443 -1.311 1.00 47.98 A C\nATOM 1297 O GLU A 865 32.982 22.444 -1.707 1.00 40.23 A O\nATOM 1298 CB GLU A 865 30.145 22.407 -0.761 1.00 41.00 A C\nATOM 1299 CG GLU A 865 29.020 22.190 0.244 1.00 53.30 A C\nATOM 1300 CD GLU A 865 28.086 21.053 -0.137 1.00 66.21 A C\nATOM 1301 OE1 GLU A 865 27.442 20.512 0.782 1.00 56.09 A O\nATOM 1302 OE2 GLU A 865 27.997 20.692 -1.337 1.00 63.67 A O\nATOM 1303 N GLU A 866 32.612 24.670 -1.770 1.00 47.17 A N\nATOM 1304 CA GLU A 866 33.608 24.955 -2.807 1.00 46.40 A C\nATOM 1305 C GLU A 866 34.700 25.832 -2.210 1.00 40.98 A C\nATOM 1306 O GLU A 866 34.497 26.450 -1.164 1.00 38.94 A O\nATOM 1307 CB GLU A 866 32.956 25.644 -4.019 1.00 46.22 A C\nATOM 1308 CG GLU A 866 32.102 24.730 -4.897 1.00 54.50 A C\nATOM 1309 CD GLU A 866 30.714 24.468 -4.337 1.00 68.80 A C\nATOM 1310 OE1 GLU A 866 30.121 23.425 -4.688 1.00 79.63 A O\nATOM 1311 OE2 GLU A 866 30.206 25.299 -3.553 1.00 68.10 A O\nATOM 1312 N LYS A 867 35.854 25.893 -2.877 1.00 37.24 A N\nATOM 1313 CA LYS A 867 37.036 26.539 -2.313 1.00 47.53 A C\nATOM 1314 C LYS A 867 36.911 28.067 -2.320 1.00 42.85 A C\nATOM 1315 O LYS A 867 37.482 28.740 -1.459 1.00 40.83 A O\nATOM 1316 CB LYS A 867 38.325 26.074 -3.037 1.00 37.61 A C\nATOM 1317 CG LYS A 867 38.432 26.433 -4.517 1.00 41.83 A C\nATOM 1318 CD LYS A 867 39.175 25.359 -5.323 1.00 39.74 A C\nATOM 1319 CE LYS A 867 38.867 25.438 -6.819 1.00 39.65 A C\nATOM 1320 NZ LYS A 867 37.395 25.435 -7.144 1.00 43.75 A N\nATOM 1321 N GLU A 868 36.150 28.584 -3.288 1.00 40.06 A N\nATOM 1322 CA GLU A 868 36.053 30.019 -3.559 1.00 46.64 A C\nATOM 1323 C GLU A 868 35.553 30.809 -2.344 1.00 48.10 A C\nATOM 1324 O GLU A 868 36.168 31.809 -1.964 1.00 42.32 A O\nATOM 1325 CB GLU A 868 35.192 30.281 -4.806 1.00 51.74 A C\nATOM 1326 CG GLU A 868 35.891 29.990 -6.136 1.00 53.17 A C\nATOM 1327 CD GLU A 868 35.976 28.505 -6.493 1.00 55.69 A C\nATOM 1328 OE1 GLU A 868 35.179 27.686 -5.971 1.00 42.46 A O\nATOM 1329 OE2 GLU A 868 36.850 28.153 -7.324 1.00 48.42 A O\nATOM 1330 N TYR A 869 34.454 30.346 -1.739 1.00 45.27 A N\nATOM 1331 CA TYR A 869 33.932 30.900 -0.471 1.00 44.49 A C\nATOM 1332 C TYR A 869 35.024 31.102 0.592 1.00 48.57 A C\nATOM 1333 O TYR A 869 35.104 32.164 1.215 1.00 44.29 A O\nATOM 1334 CB TYR A 869 32.801 29.997 0.082 1.00 48.00 A C\nATOM 1335 CG TYR A 869 32.241 30.446 1.420 1.00 43.34 A C\nATOM 1336 CD1 TYR A 869 32.588 29.791 2.597 1.00 37.95 A C\nATOM 1337 CD2 TYR A 869 31.372 31.544 1.509 1.00 44.45 A C\nATOM 1338 CE1 TYR A 869 32.083 30.202 3.827 1.00 37.47 A C\nATOM 1339 CE2 TYR A 869 30.878 31.968 2.739 1.00 42.96 A C\nATOM 1340 CZ TYR A 869 31.234 31.291 3.891 1.00 42.37 A C\nATOM 1341 OH TYR A 869 30.756 31.702 5.118 1.00 42.81 A O\nATOM 1342 N HIS A 870 35.870 30.090 0.777 1.00 42.45 A N\nATOM 1343 CA HIS A 870 36.910 30.105 1.819 1.00 39.96 A C\nATOM 1344 C HIS A 870 38.101 30.984 1.432 1.00 48.03 A C\nATOM 1345 O HIS A 870 38.716 31.644 2.285 1.00 44.35 A O\nATOM 1346 CB HIS A 870 37.352 28.671 2.130 1.00 43.61 A C\nATOM 1347 CG HIS A 870 36.249 27.816 2.689 1.00 45.24 A C\nATOM 1348 ND1 HIS A 870 35.330 27.165 1.891 1.00 48.50 A N\nATOM 1349 CD2 HIS A 870 35.909 27.525 3.966 1.00 41.55 A C\nATOM 1350 CE1 HIS A 870 34.478 26.501 2.653 1.00 40.12 A C\nATOM 1351 NE2 HIS A 870 34.803 26.708 3.917 1.00 54.39 A N\nATOM 1352 N ALA A 871 38.424 30.987 0.142 1.00 48.53 A N\nATOM 1353 CA ALA A 871 39.483 31.851 -0.386 1.00 52.92 A C\nATOM 1354 C ALA A 871 39.090 33.330 -0.289 1.00 57.64 A C\nATOM 1355 O ALA A 871 39.955 34.191 -0.122 1.00 49.04 A O\nATOM 1356 CB ALA A 871 39.812 31.468 -1.828 1.00 50.28 A C\nATOM 1357 N GLU A 872 37.784 33.610 -0.363 1.00 52.01 A N\nATOM 1358 CA GLU A 872 37.262 34.982 -0.336 1.00 56.03 A C\nATOM 1359 C GLU A 872 36.943 35.500 1.077 1.00 59.17 A C\nATOM 1360 O GLU A 872 36.239 36.500 1.231 1.00 61.85 A O\nATOM 1361 CB GLU A 872 36.029 35.099 -1.244 1.00 68.02 A C\nATOM 1362 CG GLU A 872 36.346 35.099 -2.734 1.00 77.21 A C\nATOM 1363 CD GLU A 872 35.157 34.711 -3.601 1.00 97.81 A C\nATOM 1364 OE1 GLU A 872 34.010 35.092 -3.275 1.00102.61 A O\nATOM 1365 OE2 GLU A 872 35.372 34.023 -4.622 1.00 97.00 A O\nATOM 1366 N GLY A 873 37.469 34.823 2.098 1.00 58.69 A N\nATOM 1367 CA GLY A 873 37.326 35.262 3.487 1.00 54.40 A C\nATOM 1368 C GLY A 873 36.155 34.670 4.258 1.00 44.99 A C\nATOM 1369 O GLY A 873 35.994 34.948 5.449 1.00 46.72 A O\nATOM 1370 N GLY A 874 35.348 33.841 3.597 1.00 41.02 A N\nATOM 1371 CA GLY A 874 34.156 33.248 4.231 1.00 46.70 A C\nATOM 1372 C GLY A 874 34.533 32.316 5.367 1.00 46.89 A C\nATOM 1373 O GLY A 874 35.565 31.640 5.303 1.00 38.65 A O\nATOM 1374 N LYS A 875 33.707 32.283 6.417 1.00 40.97 A N\nATOM 1375 CA LYS A 875 33.971 31.414 7.573 1.00 44.70 A C\nATOM 1376 C LYS A 875 32.851 30.407 7.758 1.00 45.71 A C\nATOM 1377 O LYS A 875 31.728 30.605 7.264 1.00 42.27 A O\nATOM 1378 CB LYS A 875 34.153 32.227 8.861 1.00 57.63 A C\nATOM 1379 CG LYS A 875 35.303 33.225 8.833 1.00 64.74 A C\nATOM 1380 CD LYS A 875 36.627 32.601 9.255 1.00 68.35 A C\nATOM 1381 CE LYS A 875 37.710 33.669 9.334 1.00 73.60 A C\nATOM 1382 NZ LYS A 875 38.878 33.251 10.159 1.00 70.79 A N\nATOM 1383 N VAL A 876 33.178 29.320 8.449 1.00 41.20 A N\nATOM 1384 CA VAL A 876 32.211 28.241 8.736 1.00 40.30 A C\nATOM 1385 C VAL A 876 32.294 27.905 10.232 1.00 36.00 A C\nATOM 1386 O VAL A 876 33.310 28.204 10.880 1.00 41.42 A O\nATOM 1387 CB VAL A 876 32.448 26.993 7.845 1.00 35.33 A C\nATOM 1388 CG1 VAL A 876 31.864 27.218 6.452 1.00 38.11 A C\nATOM 1389 CG2 VAL A 876 33.937 26.669 7.743 1.00 40.25 A C\nATOM 1390 N PRO A 877 31.232 27.304 10.788 1.00 36.65 A N\nATOM 1391 CA PRO A 877 31.168 27.085 12.243 1.00 32.43 A C\nATOM 1392 C PRO A 877 31.989 25.871 12.669 1.00 33.61 A C\nATOM 1393 O PRO A 877 31.446 24.822 12.981 1.00 29.15 A O\nATOM 1394 CB PRO A 877 29.664 26.864 12.491 1.00 35.69 A C\nATOM 1395 CG PRO A 877 29.144 26.302 11.211 1.00 33.67 A C\nATOM 1396 CD PRO A 877 29.979 26.910 10.106 1.00 41.66 A C\nATOM 1397 N ILE A 878 33.310 26.025 12.729 1.00 27.90 A N\nATOM 1398 CA ILE A 878 34.195 24.889 12.915 1.00 32.46 A C\nATOM 1399 C ILE A 878 33.910 24.020 14.142 1.00 28.85 A C\nATOM 1400 O ILE A 878 34.082 22.801 14.086 1.00 28.98 A O\nATOM 1401 CB ILE A 878 35.683 25.345 12.980 1.00 32.09 A C\nATOM 1402 CG1 ILE A 878 36.148 25.881 11.621 1.00 36.30 A C\nATOM 1403 CG2 ILE A 878 36.569 24.207 13.469 1.00 32.69 A C\nATOM 1404 CD1 ILE A 878 36.435 24.842 10.543 1.00 39.95 A C\nATOM 1405 N LYS A 879 33.533 24.645 15.259 1.00 29.60 A N\nATOM 1406 CA LYS A 879 33.367 23.911 16.510 1.00 26.22 A C\nATOM 1407 C LYS A 879 32.094 23.034 16.526 1.00 24.84 A C\nATOM 1408 O LYS A 879 31.891 22.260 17.448 1.00 28.78 A O\nATOM 1409 CB LYS A 879 33.430 24.858 17.716 1.00 28.83 A C\nATOM 1410 CG LYS A 879 34.842 25.401 17.951 1.00 38.19 A C\nATOM 1411 CD LYS A 879 34.830 26.562 18.934 1.00 40.19 A C\nATOM 1412 CE LYS A 879 36.246 27.029 19.228 1.00 32.84 A C\nATOM 1413 NZ LYS A 879 36.263 28.136 20.240 1.00 34.70 A N\nATOM 1414 N TRP A 880 31.280 23.157 15.489 1.00 24.85 A N\nATOM 1415 CA TRP A 880 30.110 22.292 15.307 1.00 31.64 A C\nATOM 1416 C TRP A 880 30.306 21.259 14.183 1.00 30.59 A C\nATOM 1417 O TRP A 880 29.457 20.390 13.978 1.00 34.02 A O\nATOM 1418 CB TRP A 880 28.878 23.149 15.031 1.00 27.14 A C\nATOM 1419 CG TRP A 880 28.339 23.795 16.290 1.00 28.73 A C\nATOM 1420 CD1 TRP A 880 27.276 23.367 17.051 1.00 28.66 A C\nATOM 1421 CD2 TRP A 880 28.859 24.962 16.945 1.00 31.97 A C\nATOM 1422 NE1 TRP A 880 27.115 24.199 18.138 1.00 28.60 A N\nATOM 1423 CE2 TRP A 880 28.064 25.190 18.091 1.00 30.62 A C\nATOM 1424 CE3 TRP A 880 29.917 25.850 16.662 1.00 31.59 A C\nATOM 1425 CZ2 TRP A 880 28.291 26.276 18.965 1.00 31.23 A C\nATOM 1426 CZ3 TRP A 880 30.154 26.923 17.542 1.00 30.88 A C\nATOM 1427 CH2 TRP A 880 29.358 27.112 18.676 1.00 25.65 A C\nATOM 1428 N MET A 881 31.427 21.349 13.460 1.00 27.44 A N\nATOM 1429 CA MET A 881 31.540 20.623 12.193 1.00 26.86 A C\nATOM 1430 C MET A 881 32.150 19.249 12.353 1.00 28.50 A C\nATOM 1431 O MET A 881 33.062 19.068 13.159 1.00 28.72 A O\nATOM 1432 CB MET A 881 32.326 21.432 11.154 1.00 29.39 A C\nATOM 1433 CG MET A 881 31.563 22.600 10.554 1.00 32.10 A C\nATOM 1434 SD MET A 881 32.705 23.710 9.728 1.00 36.98 A S\nATOM 1435 CE MET A 881 33.274 22.696 8.370 1.00 32.20 A C\nATOM 1436 N ALA A 882 31.666 18.280 11.573 1.00 27.59 A N\nATOM 1437 CA ALA A 882 32.274 16.941 11.583 1.00 23.42 A C\nATOM 1438 C ALA A 882 33.701 17.054 11.025 1.00 26.24 A C\nATOM 1439 O ALA A 882 33.983 17.914 10.193 1.00 25.83 A O\nATOM 1440 CB ALA A 882 31.483 15.966 10.710 1.00 21.36 A C\nATOM 1441 N LEU A 883 34.575 16.153 11.432 1.00 29.23 A N\nATOM 1442 CA LEU A 883 35.973 16.210 10.953 1.00 30.11 A C\nATOM 1443 C LEU A 883 36.095 16.155 9.415 1.00 31.93 A C\nATOM 1444 O LEU A 883 36.886 16.913 8.820 1.00 28.83 A O\nATOM 1445 CB LEU A 883 36.804 15.101 11.603 1.00 29.10 A C\nATOM 1446 CG LEU A 883 38.327 15.214 11.398 1.00 28.93 A C\nATOM 1447 CD1 LEU A 883 38.797 16.632 11.665 1.00 33.97 A C\nATOM 1448 CD2 LEU A 883 39.017 14.211 12.293 1.00 29.31 A C\nATOM 1449 N GLU A 884 35.311 15.288 8.761 1.00 21.95 A N\nATOM 1450 CA GLU A 884 35.344 15.209 7.296 1.00 22.92 A C\nATOM 1451 C GLU A 884 34.876 16.508 6.591 1.00 26.17 A C\nATOM 1452 O GLU A 884 35.268 16.778 5.447 1.00 24.35 A O\nATOM 1453 CB GLU A 884 34.646 13.943 6.753 1.00 26.86 A C\nATOM 1454 CG GLU A 884 33.105 13.951 6.895 1.00 27.94 A C\nATOM 1455 CD GLU A 884 32.564 13.567 8.273 1.00 29.05 A C\nATOM 1456 OE1 GLU A 884 33.301 13.408 9.265 1.00 25.06 A O\nATOM 1457 OE2 GLU A 884 31.319 13.447 8.409 1.00 23.90 A O\nATOM 1458 N SER A 885 34.033 17.294 7.263 1.00 30.81 A N\nATOM 1459 CA SER A 885 33.587 18.585 6.721 1.00 25.73 A C\nATOM 1460 C SER A 885 34.723 19.608 6.802 1.00 27.51 A C\nATOM 1461 O SER A 885 34.939 20.392 5.877 1.00 29.16 A O\nATOM 1462 CB SER A 885 32.382 19.102 7.520 1.00 26.41 A C\nATOM 1463 OG SER A 885 31.330 18.146 7.461 1.00 29.44 A O\nATOM 1464 N ILE A 886 35.414 19.578 7.929 1.00 25.32 A N\nATOM 1465 CA ILE A 886 36.574 20.454 8.176 1.00 30.05 A C\nATOM 1466 C ILE A 886 37.659 20.144 7.152 1.00 30.18 A C\nATOM 1467 O ILE A 886 38.150 21.055 6.475 1.00 32.84 A O\nATOM 1468 CB ILE A 886 37.110 20.303 9.615 1.00 36.22 A C\nATOM 1469 CG1 ILE A 886 36.049 20.780 10.634 1.00 31.72 A C\nATOM 1470 CG2 ILE A 886 38.400 21.107 9.804 1.00 32.89 A C\nATOM 1471 CD1 ILE A 886 36.393 20.470 12.086 1.00 30.73 A C\nATOM 1472 N LEU A 887 37.993 18.853 6.989 1.00 31.51 A N\nATOM 1473 CA LEU A 887 39.125 18.443 6.148 1.00 34.19 A C\nATOM 1474 C LEU A 887 38.849 18.409 4.655 1.00 36.04 A C\nATOM 1475 O LEU A 887 39.732 18.687 3.891 1.00 26.34 A O\nATOM 1476 CB LEU A 887 39.729 17.097 6.600 1.00 30.53 A C\nATOM 1477 CG LEU A 887 40.150 17.042 8.077 1.00 39.64 A C\nATOM 1478 CD1 LEU A 887 40.469 15.608 8.488 1.00 38.89 A C\nATOM 1479 CD2 LEU A 887 41.336 17.967 8.366 1.00 35.87 A C\nATOM 1480 N HIS A 888 37.628 18.086 4.233 1.00 26.10 A N\nATOM 1481 CA HIS A 888 37.369 17.835 2.818 1.00 24.98 A C\nATOM 1482 C HIS A 888 36.058 18.409 2.302 1.00 28.24 A C\nATOM 1483 O HIS A 888 35.654 18.072 1.186 1.00 27.84 A O\nATOM 1484 CB HIS A 888 37.363 16.319 2.542 1.00 29.19 A C\nATOM 1485 CG HIS A 888 38.705 15.681 2.728 1.00 31.15 A C\nATOM 1486 ND1 HIS A 888 39.739 15.857 1.835 1.00 34.56 A N\nATOM 1487 CD2 HIS A 888 39.188 14.892 3.718 1.00 31.38 A C\nATOM 1488 CE1 HIS A 888 40.807 15.208 2.270 1.00 34.69 A C\nATOM 1489 NE2 HIS A 888 40.496 14.601 3.401 1.00 35.08 A N\nATOM 1490 N ARG A 889 35.422 19.255 3.114 1.00 25.02 A N\nATOM 1491 CA ARG A 889 34.179 19.942 2.731 1.00 32.39 A C\nATOM 1492 C ARG A 889 33.118 18.923 2.370 1.00 26.78 A C\nATOM 1493 O ARG A 889 32.276 19.159 1.484 1.00 29.23 A O\nATOM 1494 CB ARG A 889 34.429 20.930 1.578 1.00 31.37 A C\nATOM 1495 CG ARG A 889 35.516 21.943 1.891 1.00 33.25 A C\nATOM 1496 CD ARG A 889 35.608 22.980 0.779 1.00 39.11 A C\nATOM 1497 NE ARG A 889 36.544 24.044 1.105 1.00 37.65 A N\nATOM 1498 CZ ARG A 889 37.701 24.266 0.468 1.00 46.93 A C\nATOM 1499 NH1 ARG A 889 38.074 23.526 -0.570 1.00 38.03 A N\nATOM 1500 NH2 ARG A 889 38.476 25.267 0.846 1.00 40.00 A N\nATOM 1501 N ILE A 890 33.175 17.774 3.039 1.00 26.13 A N\nATOM 1502 CA ILE A 890 32.145 16.730 2.876 1.00 29.66 A C\nATOM 1503 C ILE A 890 31.018 17.016 3.855 1.00 26.43 A C\nATOM 1504 O ILE A 890 31.245 17.066 5.063 1.00 26.43 A O\nATOM 1505 CB ILE A 890 32.701 15.296 3.144 1.00 29.59 A C\nATOM 1506 CG1 ILE A 890 33.716 14.901 2.071 1.00 34.56 A C\nATOM 1507 CG2 ILE A 890 31.564 14.262 3.147 1.00 26.41 A C\nATOM 1508 CD1 ILE A 890 34.686 13.798 2.502 1.00 27.38 A C\nATOM 1509 N TYR A 891 29.787 17.135 3.328 1.00 27.40 A N\nATOM 1510 CA TYR A 891 28.606 17.370 4.144 1.00 29.79 A C\nATOM 1511 C TYR A 891 27.537 16.381 3.726 1.00 26.49 A C\nATOM 1512 O TYR A 891 27.188 16.314 2.550 1.00 29.21 A O\nATOM 1513 CB TYR A 891 28.046 18.756 3.884 1.00 31.16 A C\nATOM 1514 CG TYR A 891 28.844 19.897 4.436 1.00 32.59 A C\nATOM 1515 CD1 TYR A 891 28.639 20.341 5.751 1.00 30.54 A C\nATOM 1516 CD2 TYR A 891 29.797 20.548 3.648 1.00 32.80 A C\nATOM 1517 CE1 TYR A 891 29.363 21.411 6.254 1.00 37.58 A C\nATOM 1518 CE2 TYR A 891 30.514 21.623 4.141 1.00 34.48 A C\nATOM 1519 CZ TYR A 891 30.291 22.043 5.443 1.00 35.46 A C\nATOM 1520 OH TYR A 891 30.976 23.117 5.945 1.00 42.40 A O\nATOM 1521 N THR A 892 27.092 15.591 4.699 1.00 27.14 A N\nATOM 1522 CA THR A 892 26.052 14.573 4.503 1.00 28.00 A C\nATOM 1523 C THR A 892 25.132 14.670 5.688 1.00 24.99 A C\nATOM 1524 O THR A 892 25.394 15.437 6.647 1.00 24.52 A O\nATOM 1525 CB THR A 892 26.656 13.161 4.529 1.00 24.93 A C\nATOM 1526 OG1 THR A 892 27.152 12.906 5.842 1.00 26.37 A O\nATOM 1527 CG2 THR A 892 27.808 13.012 3.492 1.00 29.56 A C\nATOM 1528 N HIS A 893 24.060 13.868 5.664 1.00 26.44 A N\nATOM 1529 CA HIS A 893 23.230 13.753 6.839 1.00 29.70 A C\nATOM 1530 C HIS A 893 23.987 13.219 8.061 1.00 24.12 A C\nATOM 1531 O HIS A 893 23.680 13.585 9.197 1.00 22.63 A O\nATOM 1532 CB HIS A 893 21.929 12.993 6.484 1.00 25.97 A C\nATOM 1533 CG HIS A 893 21.172 13.679 5.386 1.00 27.52 A C\nATOM 1534 ND1 HIS A 893 20.529 14.883 5.575 1.00 28.59 A N\nATOM 1535 CD2 HIS A 893 21.051 13.390 4.069 1.00 28.83 A C\nATOM 1536 CE1 HIS A 893 20.035 15.299 4.425 1.00 27.39 A C\nATOM 1537 NE2 HIS A 893 20.298 14.394 3.505 1.00 32.49 A N\nATOM 1538 N GLN A 894 25.059 12.470 7.828 1.00 26.66 A N\nATOM 1539 CA GLN A 894 25.919 11.997 8.926 1.00 29.47 A C\nATOM 1540 C GLN A 894 26.906 13.056 9.499 1.00 26.86 A C\nATOM 1541 O GLN A 894 27.298 12.991 10.667 1.00 22.97 A O\nATOM 1542 CB GLN A 894 26.654 10.708 8.491 1.00 27.17 A C\nATOM 1543 CG GLN A 894 25.705 9.525 8.192 1.00 24.91 A C\nATOM 1544 CD GLN A 894 24.783 9.234 9.369 1.00 30.07 A C\nATOM 1545 OE1 GLN A 894 23.581 9.588 9.349 1.00 27.00 A O\nATOM 1546 NE2 GLN A 894 25.334 8.605 10.418 1.00 27.72 A N\nATOM 1547 N SER A 895 27.288 14.034 8.695 1.00 24.14 A N\nATOM 1548 CA SER A 895 27.927 15.211 9.257 1.00 27.27 A C\nATOM 1549 C SER A 895 26.958 16.056 10.075 1.00 27.74 A C\nATOM 1550 O SER A 895 27.372 16.618 11.077 1.00 25.43 A O\nATOM 1551 CB SER A 895 28.699 16.026 8.208 1.00 31.60 A C\nATOM 1552 OG SER A 895 27.862 16.621 7.234 1.00 25.89 A O\nATOM 1553 N ASP A 896 25.672 16.123 9.675 1.00 26.73 A N\nATOM 1554 CA ASP A 896 24.643 16.770 10.518 1.00 24.53 A C\nATOM 1555 C ASP A 896 24.481 16.058 11.860 1.00 20.29 A C\nATOM 1556 O ASP A 896 24.275 16.687 12.887 1.00 22.46 A O\nATOM 1557 CB ASP A 896 23.246 16.817 9.833 1.00 28.43 A C\nATOM 1558 CG ASP A 896 23.121 17.900 8.737 1.00 31.24 A C\nATOM 1559 OD1 ASP A 896 22.115 17.834 7.982 1.00 27.91 A O\nATOM 1560 OD2 ASP A 896 23.997 18.781 8.573 1.00 26.34 A O\nATOM 1561 N VAL A 897 24.598 14.736 11.846 1.00 20.23 A N\nATOM 1562 CA VAL A 897 24.610 13.991 13.102 1.00 19.28 A C\nATOM 1563 C VAL A 897 25.629 14.450 14.120 1.00 25.81 A C\nATOM 1564 O VAL A 897 25.320 14.560 15.295 1.00 22.78 A O\nATOM 1565 CB VAL A 897 24.658 12.448 12.868 1.00 19.54 A C\nATOM 1566 CG1 VAL A 897 24.843 11.704 14.183 1.00 19.88 A C\nATOM 1567 CG2 VAL A 897 23.325 11.945 12.233 1.00 24.43 A C\nATOM 1568 N TRP A 898 26.864 14.693 13.659 1.00 21.20 A N\nATOM 1569 CA TRP A 898 27.927 15.223 14.521 1.00 24.82 A C\nATOM 1570 C TRP A 898 27.505 16.541 15.151 1.00 23.28 A C\nATOM 1571 O TRP A 898 27.615 16.712 16.379 1.00 21.81 A O\nATOM 1572 CB TRP A 898 29.205 15.401 13.666 1.00 22.74 A C\nATOM 1573 CG TRP A 898 30.380 15.970 14.398 1.00 20.42 A C\nATOM 1574 CD1 TRP A 898 30.466 17.185 15.058 1.00 24.29 A C\nATOM 1575 CD2 TRP A 898 31.674 15.336 14.558 1.00 24.05 A C\nATOM 1576 NE1 TRP A 898 31.757 17.336 15.607 1.00 23.39 A N\nATOM 1577 CE2 TRP A 898 32.494 16.220 15.304 1.00 23.70 A C\nATOM 1578 CE3 TRP A 898 32.210 14.127 14.116 1.00 26.61 A C\nATOM 1579 CZ2 TRP A 898 33.837 15.910 15.635 1.00 27.97 A C\nATOM 1580 CZ3 TRP A 898 33.568 13.828 14.425 1.00 27.65 A C\nATOM 1581 CH2 TRP A 898 34.333 14.704 15.185 1.00 26.29 A C\nATOM 1582 N SER A 899 26.971 17.444 14.316 1.00 21.82 A N\nATOM 1583 CA SER A 899 26.558 18.772 14.763 1.00 21.42 A C\nATOM 1584 C SER A 899 25.369 18.645 15.715 1.00 24.08 A C\nATOM 1585 O SER A 899 25.228 19.457 16.652 1.00 23.02 A O\nATOM 1586 CB SER A 899 26.142 19.636 13.571 1.00 22.79 A C\nATOM 1587 OG SER A 899 27.196 19.709 12.622 1.00 29.32 A O\nATOM 1588 N TYR A 900 24.551 17.615 15.484 1.00 24.08 A N\nATOM 1589 CA TYR A 900 23.474 17.266 16.443 1.00 22.45 A C\nATOM 1590 C TYR A 900 24.039 16.904 17.797 1.00 24.83 A C\nATOM 1591 O TYR A 900 23.514 17.330 18.811 1.00 22.80 A O\nATOM 1592 CB TYR A 900 22.565 16.129 15.923 1.00 26.91 A C\nATOM 1593 CG TYR A 900 21.483 15.683 16.918 1.00 24.64 A C\nATOM 1594 CD1 TYR A 900 21.709 14.629 17.818 1.00 24.58 A C\nATOM 1595 CD2 TYR A 900 20.207 16.282 16.921 1.00 29.41 A C\nATOM 1596 CE1 TYR A 900 20.714 14.188 18.692 1.00 30.37 A C\nATOM 1597 CE2 TYR A 900 19.220 15.867 17.813 1.00 25.82 A C\nATOM 1598 CZ TYR A 900 19.472 14.819 18.694 1.00 30.20 A C\nATOM 1599 OH TYR A 900 18.495 14.386 19.571 1.00 29.23 A O\nATOM 1600 N GLY A 901 25.144 16.142 17.822 1.00 25.68 A N\nATOM 1601 CA GLY A 901 25.756 15.748 19.096 1.00 23.98 A C\nATOM 1602 C GLY A 901 26.223 17.007 19.827 1.00 24.33 A C\nATOM 1603 O GLY A 901 26.101 17.084 21.035 1.00 23.86 A O\nATOM 1604 N VAL A 902 26.818 17.960 19.086 1.00 25.05 A N\nATOM 1605 CA VAL A 902 27.315 19.214 19.683 1.00 21.83 A C\nATOM 1606 C VAL A 902 26.114 20.019 20.243 1.00 24.08 A C\nATOM 1607 O VAL A 902 26.152 20.532 21.345 1.00 26.25 A O\nATOM 1608 CB VAL A 902 28.167 20.062 18.704 1.00 24.89 A C\nATOM 1609 CG1 VAL A 902 28.771 21.289 19.420 1.00 26.81 A C\nATOM 1610 CG2 VAL A 902 29.308 19.223 18.111 1.00 22.20 A C\nATOM 1611 N THR A 903 25.058 20.097 19.457 1.00 23.91 A N\nATOM 1612 CA THR A 903 23.826 20.789 19.902 1.00 24.59 A C\nATOM 1613 C THR A 903 23.306 20.220 21.235 1.00 20.47 A C\nATOM 1614 O THR A 903 23.031 20.953 22.193 1.00 23.36 A O\nATOM 1615 CB THR A 903 22.761 20.724 18.787 1.00 22.55 A C\nATOM 1616 OG1 THR A 903 23.273 21.268 17.569 1.00 24.10 A O\nATOM 1617 CG2 THR A 903 21.429 21.492 19.168 1.00 24.23 A C\nATOM 1618 N VAL A 904 23.170 18.901 21.300 1.00 22.65 A N\nATOM 1619 CA VAL A 904 22.729 18.231 22.517 1.00 24.32 A C\nATOM 1620 C VAL A 904 23.639 18.562 23.686 1.00 29.53 A C\nATOM 1621 O VAL A 904 23.174 18.813 24.780 1.00 25.51 A O\nATOM 1622 CB VAL A 904 22.614 16.698 22.303 1.00 26.14 A C\nATOM 1623 CG1 VAL A 904 22.367 15.967 23.621 1.00 32.14 A C\nATOM 1624 CG2 VAL A 904 21.469 16.388 21.352 1.00 29.78 A C\nATOM 1625 N TRP A 905 24.951 18.547 23.442 1.00 25.37 A N\nATOM 1626 CA TRP A 905 25.909 18.952 24.450 1.00 26.02 A C\nATOM 1627 C TRP A 905 25.618 20.397 24.929 1.00 25.24 A C\nATOM 1628 O TRP A 905 25.647 20.692 26.122 1.00 25.58 A O\nATOM 1629 CB TRP A 905 27.344 18.846 23.879 1.00 27.12 A C\nATOM 1630 CG TRP A 905 28.457 19.135 24.901 1.00 29.75 A C\nATOM 1631 CD1 TRP A 905 29.071 18.227 25.727 1.00 29.86 A C\nATOM 1632 CD2 TRP A 905 29.059 20.406 25.194 1.00 29.09 A C\nATOM 1633 NE1 TRP A 905 30.016 18.857 26.518 1.00 27.53 A N\nATOM 1634 CE2 TRP A 905 30.038 20.187 26.202 1.00 31.67 A C\nATOM 1635 CE3 TRP A 905 28.896 21.705 24.680 1.00 29.99 A C\nATOM 1636 CZ2 TRP A 905 30.822 21.226 26.732 1.00 31.76 A C\nATOM 1637 CZ3 TRP A 905 29.670 22.739 25.211 1.00 29.19 A C\nATOM 1638 CH2 TRP A 905 30.632 22.487 26.218 1.00 31.16 A C\nATOM 1639 N GLU A 906 25.375 21.300 23.992 1.00 23.57 A N\nATOM 1640 CA GLU A 906 25.081 22.673 24.361 1.00 26.68 A C\nATOM 1641 C GLU A 906 23.849 22.707 25.272 1.00 29.46 A C\nATOM 1642 O GLU A 906 23.811 23.439 26.244 1.00 30.72 A O\nATOM 1643 CB GLU A 906 24.731 23.494 23.126 1.00 29.21 A C\nATOM 1644 CG GLU A 906 25.885 23.793 22.205 1.00 26.76 A C\nATOM 1645 CD GLU A 906 25.419 24.646 21.045 1.00 26.29 A C\nATOM 1646 OE1 GLU A 906 25.522 25.884 21.177 1.00 28.98 A O\nATOM 1647 OE2 GLU A 906 24.934 24.103 20.035 1.00 28.76 A O\nATOM 1648 N LEU A 907 22.852 21.897 24.946 1.00 28.88 A N\nATOM 1649 CA LEU A 907 21.629 21.859 25.737 1.00 31.17 A C\nATOM 1650 C LEU A 907 21.876 21.375 27.176 1.00 30.41 A C\nATOM 1651 O LEU A 907 21.476 22.031 28.157 1.00 31.35 A O\nATOM 1652 CB LEU A 907 20.588 20.965 25.036 1.00 30.07 A C\nATOM 1653 CG LEU A 907 20.073 21.493 23.692 1.00 29.46 A C\nATOM 1654 CD1 LEU A 907 18.881 20.670 23.250 1.00 32.66 A C\nATOM 1655 CD2 LEU A 907 19.698 22.976 23.760 1.00 30.38 A C\nATOM 1656 N MET A 908 22.572 20.248 27.280 1.00 33.26 A N\nATOM 1657 CA MET A 908 22.815 19.567 28.555 1.00 33.03 A C\nATOM 1658 C MET A 908 23.776 20.319 29.480 1.00 33.19 A C\nATOM 1659 O MET A 908 23.833 20.034 30.667 1.00 32.50 A O\nATOM 1660 CB MET A 908 23.378 18.162 28.308 1.00 29.57 A C\nATOM 1661 CG MET A 908 22.499 17.227 27.502 1.00 31.43 A C\nATOM 1662 SD MET A 908 20.915 16.950 28.305 1.00 38.14 A S\nATOM 1663 CE MET A 908 19.955 16.171 26.994 1.00 35.57 A C\nATOM 1664 N THR A 909 24.529 21.266 28.926 1.00 34.84 A N\nATOM 1665 CA THR A 909 25.422 22.110 29.715 1.00 31.46 A C\nATOM 1666 C THR A 909 24.758 23.462 29.973 1.00 35.43 A C\nATOM 1667 O THR A 909 25.369 24.375 30.533 1.00 33.37 A O\nATOM 1668 CB THR A 909 26.755 22.383 28.990 1.00 30.17 A C\nATOM 1669 OG1 THR A 909 26.503 23.074 27.759 1.00 32.39 A O\nATOM 1670 CG2 THR A 909 27.548 21.085 28.733 1.00 34.41 A C\nATOM 1671 N PHE A 910 23.507 23.580 29.542 1.00 32.72 A N\nATOM 1672 CA PHE A 910 22.753 24.834 29.661 1.00 39.49 A C\nATOM 1673 C PHE A 910 23.452 25.975 28.916 1.00 37.32 A C\nATOM 1674 O PHE A 910 23.512 27.121 29.379 1.00 34.56 A O\nATOM 1675 CB PHE A 910 22.465 25.145 31.144 1.00 38.60 A C\nATOM 1676 CG PHE A 910 21.737 24.031 31.852 1.00 35.82 A C\nATOM 1677 CD1 PHE A 910 20.360 23.874 31.695 1.00 42.92 A C\nATOM 1678 CD2 PHE A 910 22.424 23.129 32.671 1.00 39.39 A C\nATOM 1679 CE1 PHE A 910 19.684 22.843 32.335 1.00 38.58 A C\nATOM 1680 CE2 PHE A 910 21.751 22.095 33.320 1.00 38.85 A C\nATOM 1681 CZ PHE A 910 20.377 21.960 33.156 1.00 39.25 A C\nATOM 1682 N GLY A 911 23.972 25.646 27.741 1.00 30.24 A N\nATOM 1683 CA GLY A 911 24.480 26.659 26.818 1.00 30.44 A C\nATOM 1684 C GLY A 911 25.938 27.038 26.976 1.00 31.34 A C\nATOM 1685 O GLY A 911 26.322 28.160 26.631 1.00 31.20 A O\nATOM 1686 N SER A 912 26.761 26.109 27.461 1.00 34.43 A N\nATOM 1687 CA SER A 912 28.216 26.310 27.408 1.00 32.44 A C\nATOM 1688 C SER A 912 28.744 26.398 25.977 1.00 30.35 A C\nATOM 1689 O SER A 912 28.186 25.815 25.051 1.00 29.13 A O\nATOM 1690 CB SER A 912 28.963 25.201 28.160 1.00 37.09 A C\nATOM 1691 OG SER A 912 28.615 25.224 29.524 1.00 37.39 A O\nATOM 1692 N LYS A 913 29.864 27.105 25.822 1.00 34.33 A N\nATOM 1693 CA LYS A 913 30.544 27.258 24.535 1.00 36.05 A C\nATOM 1694 C LYS A 913 31.469 26.073 24.282 1.00 36.45 A C\nATOM 1695 O LYS A 913 32.367 25.819 25.085 1.00 32.75 A O\nATOM 1696 CB LYS A 913 31.374 28.541 24.538 1.00 37.89 A C\nATOM 1697 CG LYS A 913 30.549 29.809 24.490 1.00 41.62 A C\nATOM 1698 CD LYS A 913 31.439 31.046 24.591 1.00 54.77 A C\nATOM 1699 CE LYS A 913 32.281 31.258 23.338 1.00 63.20 A C\nATOM 1700 NZ LYS A 913 33.156 32.457 23.448 1.00 79.59 A N\nATOM 1701 N PRO A 914 31.254 25.337 23.175 1.00 34.16 A N\nATOM 1702 CA PRO A 914 32.058 24.118 22.968 1.00 29.10 A C\nATOM 1703 C PRO A 914 33.536 24.481 22.719 1.00 34.77 A C\nATOM 1704 O PRO A 914 33.814 25.439 21.996 1.00 33.33 A O\nATOM 1705 CB PRO A 914 31.411 23.481 21.733 1.00 33.91 A C\nATOM 1706 CG PRO A 914 30.778 24.614 21.005 1.00 34.78 A C\nATOM 1707 CD PRO A 914 30.298 25.560 22.076 1.00 32.97 A C\nATOM 1708 N TYR A 915 34.458 23.737 23.325 1.00 33.25 A N\nATOM 1709 CA TYR A 915 35.895 23.998 23.177 1.00 33.85 A C\nATOM 1710 C TYR A 915 36.207 25.471 23.468 1.00 39.64 A C\nATOM 1711 O TYR A 915 36.948 26.117 22.718 1.00 45.53 A O\nATOM 1712 CB TYR A 915 36.364 23.665 21.764 1.00 33.52 A C\nATOM 1713 CG TYR A 915 35.818 22.388 21.190 1.00 29.32 A C\nATOM 1714 CD1 TYR A 915 36.385 21.162 21.511 1.00 32.58 A C\nATOM 1715 CD2 TYR A 915 34.742 22.417 20.307 1.00 36.08 A C\nATOM 1716 CE1 TYR A 915 35.888 19.981 20.977 1.00 33.76 A C\nATOM 1717 CE2 TYR A 915 34.231 21.250 19.767 1.00 31.31 A C\nATOM 1718 CZ TYR A 915 34.802 20.038 20.107 1.00 30.34 A C\nATOM 1719 OH TYR A 915 34.315 18.876 19.539 1.00 36.05 A O\nATOM 1720 N ASP A 916 35.618 25.991 24.543 1.00 43.33 A N\nATOM 1721 CA ASP A 916 35.768 27.396 24.940 1.00 48.23 A C\nATOM 1722 C ASP A 916 37.254 27.719 25.124 1.00 48.30 A C\nATOM 1723 O ASP A 916 37.983 26.961 25.774 1.00 46.71 A O\nATOM 1724 CB ASP A 916 34.988 27.650 26.242 1.00 52.14 A C\nATOM 1725 CG ASP A 916 34.922 29.136 26.628 1.00 54.58 A C\nATOM 1726 OD1 ASP A 916 34.708 29.421 27.821 1.00 60.52 A O\nATOM 1727 OD2 ASP A 916 35.064 30.008 25.751 1.00 47.27 A O\nATOM 1728 N GLY A 917 37.697 28.813 24.511 1.00 56.46 A N\nATOM 1729 CA GLY A 917 39.085 29.258 24.635 1.00 76.19 A C\nATOM 1730 C GLY A 917 40.035 28.671 23.604 1.00 72.63 A C\nATOM 1731 O GLY A 917 41.021 29.316 23.238 1.00 63.76 A O\nATOM 1732 N ILE A 918 39.738 27.452 23.143 1.00 63.90 A N\nATOM 1733 CA ILE A 918 40.529 26.764 22.114 1.00 49.40 A C\nATOM 1734 C ILE A 918 40.345 27.411 20.732 1.00 55.67 A C\nATOM 1735 O ILE A 918 39.215 27.569 20.259 1.00 53.67 A O\nATOM 1736 CB ILE A 918 40.247 25.246 22.089 1.00 58.39 A C\nATOM 1737 CG1 ILE A 918 40.788 24.592 23.362 1.00 67.71 A C\nATOM 1738 CG2 ILE A 918 40.855 24.585 20.856 1.00 49.74 A C\nATOM 1739 CD1 ILE A 918 40.277 23.185 23.600 1.00 83.95 A C\nATOM 1740 N PRO A 919 41.465 27.809 20.091 1.00 55.34 A N\nATOM 1741 CA PRO A 919 41.367 28.478 18.797 1.00 51.65 A C\nATOM 1742 C PRO A 919 40.839 27.524 17.737 1.00 46.00 A C\nATOM 1743 O PRO A 919 41.228 26.335 17.700 1.00 36.86 A O\nATOM 1744 CB PRO A 919 42.817 28.854 18.466 1.00 48.91 A C\nATOM 1745 CG PRO A 919 43.602 28.650 19.726 1.00 59.54 A C\nATOM 1746 CD PRO A 919 42.867 27.590 20.494 1.00 61.20 A C\nATOM 1747 N ALA A 920 39.982 28.055 16.877 1.00 42.96 A N\nATOM 1748 CA ALA A 920 39.380 27.267 15.795 1.00 53.07 A C\nATOM 1749 C ALA A 920 40.428 26.554 14.926 1.00 52.49 A C\nATOM 1750 O ALA A 920 40.200 25.430 14.477 1.00 39.45 A O\nATOM 1751 CB ALA A 920 38.482 28.136 14.939 1.00 41.74 A C\nATOM 1752 N SER A 921 41.578 27.191 14.706 1.00 42.14 A N\nATOM 1753 CA SER A 921 42.638 26.564 13.918 1.00 38.91 A C\nATOM 1754 C SER A 921 43.218 25.280 14.535 1.00 41.47 A C\nATOM 1755 O SER A 921 43.852 24.491 13.834 1.00 45.17 A O\nATOM 1756 CB SER A 921 43.758 27.580 13.611 1.00 43.76 A C\nATOM 1757 OG SER A 921 44.498 27.894 14.783 1.00 45.49 A O\nATOM 1758 N GLU A 922 42.994 25.066 15.832 1.00 38.81 A N\nATOM 1759 CA GLU A 922 43.508 23.877 16.524 1.00 37.90 A C\nATOM 1760 C GLU A 922 42.483 22.741 16.610 1.00 32.89 A C\nATOM 1761 O GLU A 922 42.824 21.636 17.051 1.00 37.01 A O\nATOM 1762 CB GLU A 922 43.996 24.218 17.938 1.00 43.95 A C\nATOM 1763 CG GLU A 922 45.241 25.107 17.988 1.00 58.60 A C\nATOM 1764 CD GLU A 922 46.562 24.340 17.959 1.00 74.68 A C\nATOM 1765 OE1 GLU A 922 47.536 24.836 18.567 1.00 92.16 A O\nATOM 1766 OE2 GLU A 922 46.653 23.253 17.338 1.00 65.14 A O\nATOM 1767 N ILE A 923 41.253 22.998 16.186 1.00 36.85 A N\nATOM 1768 CA ILE A 923 40.183 21.993 16.380 1.00 30.58 A C\nATOM 1769 C ILE A 923 40.420 20.666 15.649 1.00 27.72 A C\nATOM 1770 O ILE A 923 40.283 19.600 16.258 1.00 32.41 A O\nATOM 1771 CB ILE A 923 38.766 22.575 16.099 1.00 36.31 A C\nATOM 1772 CG1 ILE A 923 38.369 23.629 17.159 1.00 35.07 A C\nATOM 1773 CG2 ILE A 923 37.725 21.455 16.020 1.00 31.73 A C\nATOM 1774 CD1 ILE A 923 38.250 23.123 18.592 1.00 32.22 A C\nATOM 1775 N SER A 924 40.756 20.704 14.355 1.00 28.13 A N\nATOM 1776 CA SER A 924 41.002 19.463 13.633 1.00 35.63 A C\nATOM 1777 C SER A 924 42.110 18.610 14.291 1.00 34.96 A C\nATOM 1778 O SER A 924 41.992 17.378 14.352 1.00 29.18 A O\nATOM 1779 CB SER A 924 41.305 19.725 12.150 1.00 39.13 A C\nATOM 1780 OG SER A 924 42.613 20.267 11.983 1.00 41.55 A O\nATOM 1781 N SER A 925 43.194 19.226 14.792 1.00 38.53 A N\nATOM 1782 CA SER A 925 44.236 18.385 15.393 1.00 37.45 A C\nATOM 1783 C SER A 925 43.771 17.767 16.716 1.00 35.21 A C\nATOM 1784 O SER A 925 44.032 16.602 16.994 1.00 33.66 A O\nATOM 1785 CB SER A 925 45.579 19.125 15.558 1.00 47.26 A C\nATOM 1786 OG SER A 925 45.435 20.233 16.416 1.00 54.50 A O\nATOM 1787 N ILE A 926 43.029 18.547 17.497 1.00 35.17 A N\nATOM 1788 CA ILE A 926 42.404 18.065 18.728 1.00 40.33 A C\nATOM 1789 C ILE A 926 41.474 16.855 18.453 1.00 34.53 A C\nATOM 1790 O ILE A 926 41.637 15.787 19.056 1.00 32.95 A O\nATOM 1791 CB ILE A 926 41.718 19.262 19.443 1.00 44.79 A C\nATOM 1792 CG1 ILE A 926 42.727 19.924 20.400 1.00 48.92 A C\nATOM 1793 CG2 ILE A 926 40.399 18.888 20.114 1.00 51.95 A C\nATOM 1794 CD1 ILE A 926 42.280 21.255 20.973 1.00 61.81 A C\nATOM 1795 N LEU A 927 40.532 17.007 17.520 1.00 37.12 A N\nATOM 1796 CA LEU A 927 39.655 15.893 17.106 1.00 32.43 A C\nATOM 1797 C LEU A 927 40.412 14.654 16.605 1.00 30.80 A C\nATOM 1798 O LEU A 927 40.043 13.515 16.922 1.00 31.95 A O\nATOM 1799 CB LEU A 927 38.673 16.349 16.012 1.00 30.99 A C\nATOM 1800 CG LEU A 927 37.709 17.440 16.463 1.00 32.53 A C\nATOM 1801 CD1 LEU A 927 36.815 17.889 15.312 1.00 33.89 A C\nATOM 1802 CD2 LEU A 927 36.891 16.918 17.625 1.00 30.69 A C\nATOM 1803 N GLU A 928 41.450 14.888 15.810 1.00 37.01 A N\nATOM 1804 CA GLU A 928 42.284 13.804 15.268 1.00 39.13 A C\nATOM 1805 C GLU A 928 43.002 13.019 16.360 1.00 41.39 A C\nATOM 1806 O GLU A 928 43.225 11.816 16.209 1.00 38.80 A O\nATOM 1807 CB GLU A 928 43.307 14.339 14.255 1.00 40.49 A C\nATOM 1808 CG GLU A 928 42.754 14.636 12.870 1.00 44.84 A C\nATOM 1809 CD GLU A 928 43.660 15.532 12.036 1.00 69.64 A C\nATOM 1810 OE1 GLU A 928 43.599 15.442 10.790 1.00 74.90 A O\nATOM 1811 OE2 GLU A 928 44.432 16.332 12.616 1.00 62.95 A O\nATOM 1812 N LYS A 929 43.370 13.694 17.448 1.00 40.90 A N\nATOM 1813 CA LYS A 929 44.002 13.020 18.591 1.00 41.80 A C\nATOM 1814 C LYS A 929 43.006 12.231 19.453 1.00 46.80 A C\nATOM 1815 O LYS A 929 43.398 11.536 20.394 1.00 44.25 A O\nATOM 1816 CB LYS A 929 44.758 14.025 19.459 1.00 50.08 A C\nATOM 1817 CG LYS A 929 45.966 14.663 18.770 1.00 40.31 A C\nATOM 1818 CD LYS A 929 46.644 15.696 19.666 1.00 67.33 A C\nATOM 1819 CE LYS A 929 47.436 15.043 20.796 1.00 79.96 A C\nATOM 1820 NZ LYS A 929 48.135 16.035 21.664 1.00 77.70 A N\nATOM 1821 N GLY A 930 41.721 12.345 19.125 1.00 37.47 A N\nATOM 1822 CA GLY A 930 40.652 11.633 19.840 1.00 39.43 A C\nATOM 1823 C GLY A 930 39.970 12.436 20.930 1.00 38.99 A C\nATOM 1824 O GLY A 930 39.110 11.903 21.646 1.00 41.30 A O\nATOM 1825 N GLU A 931 40.330 13.714 21.069 1.00 32.16 A N\nATOM 1826 CA GLU A 931 39.759 14.534 22.132 1.00 32.85 A C\nATOM 1827 C GLU A 931 38.329 14.954 21.745 1.00 28.27 A C\nATOM 1828 O GLU A 931 38.075 15.227 20.573 1.00 28.77 A O\nATOM 1829 CB GLU A 931 40.603 15.762 22.393 1.00 36.69 A C\nATOM 1830 CG GLU A 931 40.082 16.662 23.503 1.00 49.53 A C\nATOM 1831 CD GLU A 931 41.036 17.806 23.818 1.00 69.08 A C\nATOM 1832 OE1 GLU A 931 42.249 17.685 23.508 1.00 53.32 A O\nATOM 1833 OE2 GLU A 931 40.568 18.828 24.374 1.00 53.97 A O\nATOM 1834 N ARG A 932 37.436 14.994 22.732 1.00 32.01 A N\nATOM 1835 CA ARG A 932 35.995 15.304 22.490 1.00 28.11 A C\nATOM 1836 C ARG A 932 35.471 16.272 23.565 1.00 32.94 A C\nATOM 1837 O ARG A 932 36.145 16.500 24.574 1.00 32.49 A O\nATOM 1838 CB ARG A 932 35.184 14.002 22.501 1.00 26.86 A C\nATOM 1839 CG ARG A 932 35.365 13.048 21.316 1.00 27.27 A C\nATOM 1840 CD ARG A 932 35.153 13.715 19.958 1.00 27.89 A C\nATOM 1841 NE ARG A 932 35.303 12.791 18.844 1.00 28.64 A N\nATOM 1842 CZ ARG A 932 36.449 12.531 18.213 1.00 43.88 A C\nATOM 1843 NH1 ARG A 932 36.458 11.657 17.217 1.00 36.00 A N\nATOM 1844 NH2 ARG A 932 37.584 13.133 18.580 1.00 28.88 A N\nATOM 1845 N LEU A 933 34.284 16.855 23.361 1.00 28.49 A N\nATOM 1846 CA LEU A 933 33.643 17.646 24.416 1.00 26.44 A C\nATOM 1847 C LEU A 933 33.400 16.752 25.622 1.00 27.19 A C\nATOM 1848 O LEU A 933 33.077 15.575 25.443 1.00 32.58 A O\nATOM 1849 CB LEU A 933 32.311 18.241 23.907 1.00 29.48 A C\nATOM 1850 CG LEU A 933 32.510 19.274 22.790 1.00 28.80 A C\nATOM 1851 CD1 LEU A 933 31.191 19.477 22.015 1.00 25.49 A C\nATOM 1852 CD2 LEU A 933 33.058 20.587 23.368 1.00 24.54 A C\nATOM 1853 N PRO A 934 33.563 17.290 26.848 1.00 29.32 A N\nATOM 1854 CA PRO A 934 33.465 16.519 28.091 1.00 31.42 A C\nATOM 1855 C PRO A 934 32.034 16.165 28.451 1.00 31.97 A C\nATOM 1856 O PRO A 934 31.093 16.860 28.022 1.00 30.19 A O\nATOM 1857 CB PRO A 934 34.021 17.485 29.144 1.00 39.73 A C\nATOM 1858 CG PRO A 934 33.717 18.844 28.599 1.00 38.13 A C\nATOM 1859 CD PRO A 934 33.907 18.703 27.109 1.00 35.28 A C\nATOM 1860 N GLN A 935 31.885 15.115 29.245 1.00 30.53 A N\nATOM 1861 CA GLN A 935 30.573 14.712 29.766 1.00 29.08 A C\nATOM 1862 C GLN A 935 29.934 15.848 30.576 1.00 32.66 A C\nATOM 1863 O GLN A 935 30.528 16.340 31.528 1.00 36.94 A O\nATOM 1864 CB GLN A 935 30.703 13.453 30.638 1.00 32.68 A C\nATOM 1865 CG GLN A 935 29.388 13.003 31.278 1.00 37.61 A C\nATOM 1866 CD GLN A 935 29.522 11.707 32.068 1.00 41.28 A C\nATOM 1867 OE1 GLN A 935 30.577 11.088 32.077 1.00 38.24 A O\nATOM 1868 NE2 GLN A 935 28.447 11.306 32.755 1.00 34.59 A N\nATOM 1869 N PRO A 936 28.713 16.273 30.190 1.00 36.45 A N\nATOM 1870 CA PRO A 936 28.008 17.267 31.005 1.00 39.54 A C\nATOM 1871 C PRO A 936 27.664 16.677 32.377 1.00 36.69 A C\nATOM 1872 O PRO A 936 27.317 15.497 32.453 1.00 35.68 A O\nATOM 1873 CB PRO A 936 26.741 17.562 30.181 1.00 34.20 A C\nATOM 1874 CG PRO A 936 27.131 17.223 28.774 1.00 32.85 A C\nATOM 1875 CD PRO A 936 27.993 15.990 28.938 1.00 36.06 A C\nATOM 1876 N PRO A 937 27.830 17.472 33.457 1.00 38.32 A N\nATOM 1877 CA PRO A 937 27.599 17.015 34.833 1.00 40.21 A C\nATOM 1878 C PRO A 937 26.233 16.386 35.062 1.00 40.46 A C\nATOM 1879 O PRO A 937 26.126 15.433 35.842 1.00 37.59 A O\nATOM 1880 CB PRO A 937 27.741 18.296 35.655 1.00 46.41 A C\nATOM 1881 CG PRO A 937 28.715 19.118 34.886 1.00 46.70 A C\nATOM 1882 CD PRO A 937 28.506 18.788 33.426 1.00 39.47 A C\nATOM 1883 N ILE A 938 25.204 16.876 34.374 1.00 34.10 A N\nATOM 1884 CA ILE A 938 23.855 16.329 34.558 1.00 37.91 A C\nATOM 1885 C ILE A 938 23.631 14.986 33.839 1.00 37.49 A C\nATOM 1886 O ILE A 938 22.660 14.289 34.126 1.00 41.11 A O\nATOM 1887 CB ILE A 938 22.731 17.329 34.163 1.00 33.35 A C\nATOM 1888 CG1 ILE A 938 22.714 17.586 32.640 1.00 35.59 A C\nATOM 1889 CG2 ILE A 938 22.828 18.633 34.966 1.00 36.27 A C\nATOM 1890 CD1 ILE A 938 21.420 18.224 32.136 1.00 34.32 A C\nATOM 1891 N CYS A 939 24.516 14.620 32.915 1.00 34.04 A N\nATOM 1892 CA CYS A 939 24.244 13.437 32.081 1.00 31.20 A C\nATOM 1893 C CYS A 939 24.743 12.159 32.706 1.00 36.53 A C\nATOM 1894 O CYS A 939 25.908 12.071 33.106 1.00 31.88 A O\nATOM 1895 CB CYS A 939 24.905 13.551 30.709 1.00 32.11 A C\nATOM 1896 SG CYS A 939 24.327 14.888 29.665 1.00 37.25 A S\nATOM 1897 N THR A 940 23.891 11.141 32.747 1.00 32.45 A N\nATOM 1898 CA THR A 940 24.426 9.802 32.980 1.00 35.97 A C\nATOM 1899 C THR A 940 25.287 9.401 31.793 1.00 34.97 A C\nATOM 1900 O THR A 940 25.203 10.005 30.717 1.00 33.70 A O\nATOM 1901 CB THR A 940 23.305 8.757 33.128 1.00 35.72 A C\nATOM 1902 OG1 THR A 940 22.500 8.763 31.945 1.00 39.68 A O\nATOM 1903 CG2 THR A 940 22.449 9.071 34.363 1.00 40.81 A C\nATOM 1904 N ILE A 941 26.085 8.351 31.966 1.00 33.98 A N\nATOM 1905 CA ILE A 941 26.923 7.835 30.883 1.00 36.66 A C\nATOM 1906 C ILE A 941 26.138 7.370 29.646 1.00 29.75 A C\nATOM 1907 O ILE A 941 26.623 7.493 28.531 1.00 33.08 A O\nATOM 1908 CB ILE A 941 27.930 6.758 31.391 1.00 41.29 A C\nATOM 1909 CG1 ILE A 941 29.080 6.560 30.399 1.00 41.07 A C\nATOM 1910 CG2 ILE A 941 27.233 5.445 31.720 1.00 36.91 A C\nATOM 1911 CD1 ILE A 941 30.126 7.650 30.441 1.00 44.87 A C\nATOM 1912 N ASP A 942 24.925 6.850 29.840 1.00 35.62 A N\nATOM 1913 CA ASP A 942 24.058 6.438 28.727 1.00 35.94 A C\nATOM 1914 C ASP A 942 23.799 7.600 27.757 1.00 33.14 A C\nATOM 1915 O ASP A 942 23.804 7.423 26.529 1.00 31.94 A O\nATOM 1916 CB ASP A 942 22.716 5.941 29.274 1.00 34.61 A C\nATOM 1917 CG ASP A 942 22.882 4.975 30.427 1.00 57.33 A C\nATOM 1918 OD1 ASP A 942 22.854 3.759 30.156 1.00 55.48 A O\nATOM 1919 OD2 ASP A 942 23.075 5.431 31.589 1.00 61.31 A O\nATOM 1920 N VAL A 943 23.575 8.782 28.316 1.00 31.75 A N\nATOM 1921 CA VAL A 943 23.296 9.965 27.488 1.00 32.99 A C\nATOM 1922 C VAL A 943 24.574 10.469 26.835 1.00 32.91 A C\nATOM 1923 O VAL A 943 24.594 10.757 25.638 1.00 30.24 A O\nATOM 1924 CB VAL A 943 22.603 11.095 28.278 1.00 38.37 A C\nATOM 1925 CG1 VAL A 943 22.510 12.373 27.438 1.00 34.73 A C\nATOM 1926 CG2 VAL A 943 21.217 10.649 28.705 1.00 36.83 A C\nATOM 1927 N TYR A 944 25.647 10.557 27.612 1.00 32.14 A N\nATOM 1928 CA TYR A 944 26.927 10.980 27.042 1.00 31.45 A C\nATOM 1929 C TYR A 944 27.404 10.020 25.942 1.00 29.66 A C\nATOM 1930 O TYR A 944 27.973 10.463 24.949 1.00 30.29 A O\nATOM 1931 CB TYR A 944 27.964 11.172 28.146 1.00 31.25 A C\nATOM 1932 CG TYR A 944 29.292 11.716 27.677 1.00 33.16 A C\nATOM 1933 CD1 TYR A 944 30.480 11.078 28.026 1.00 38.27 A C\nATOM 1934 CD2 TYR A 944 29.363 12.874 26.876 1.00 30.07 A C\nATOM 1935 CE1 TYR A 944 31.701 11.576 27.611 1.00 34.59 A C\nATOM 1936 CE2 TYR A 944 30.586 13.381 26.456 1.00 30.25 A C\nATOM 1937 CZ TYR A 944 31.740 12.734 26.829 1.00 33.30 A C\nATOM 1938 OH TYR A 944 32.946 13.214 26.403 1.00 32.21 A O\nATOM 1939 N MET A 945 27.179 8.710 26.113 1.00 28.39 A N\nATOM 1940 CA MET A 945 27.573 7.751 25.079 1.00 31.97 A C\nATOM 1941 C MET A 945 26.931 8.061 23.738 1.00 36.65 A C\nATOM 1942 O MET A 945 27.522 7.845 22.690 1.00 28.47 A O\nATOM 1943 CB MET A 945 27.202 6.316 25.454 1.00 38.25 A C\nATOM 1944 CG MET A 945 28.192 5.594 26.346 1.00 55.75 A C\nATOM 1945 SD MET A 945 29.792 5.350 25.555 1.00 67.50 A S\nATOM 1946 CE MET A 945 30.653 6.763 26.204 1.00 33.80 A C\nATOM 1947 N ILE A 946 25.689 8.529 23.763 1.00 30.37 A N\nATOM 1948 CA ILE A 946 25.062 8.912 22.527 1.00 31.60 A C\nATOM 1949 C ILE A 946 25.826 10.040 21.849 1.00 24.60 A C\nATOM 1950 O ILE A 946 26.081 9.958 20.654 1.00 26.88 A O\nATOM 1951 CB ILE A 946 23.604 9.359 22.747 1.00 34.97 A C\nATOM 1952 CG1 ILE A 946 22.796 8.227 23.371 1.00 41.69 A C\nATOM 1953 CG2 ILE A 946 22.984 9.808 21.430 1.00 36.80 A C\nATOM 1954 CD1 ILE A 946 21.374 8.639 23.700 1.00 41.79 A C\nATOM 1955 N MET A 947 26.132 11.097 22.606 1.00 24.86 A N\nATOM 1956 CA MET A 947 26.870 12.239 22.100 1.00 30.27 A C\nATOM 1957 C MET A 947 28.209 11.750 21.532 1.00 28.44 A C\nATOM 1958 O MET A 947 28.639 12.157 20.443 1.00 29.20 A O\nATOM 1959 CB MET A 947 27.147 13.237 23.233 1.00 31.12 A C\nATOM 1960 CG MET A 947 26.092 14.323 23.437 1.00 37.09 A C\nATOM 1961 SD MET A 947 26.416 15.215 24.976 1.00 41.55 A S\nATOM 1962 CE MET A 947 25.321 14.328 26.057 1.00 38.59 A C\nATOM 1963 N VAL A 948 28.856 10.867 22.284 1.00 27.85 A N\nATOM 1964 CA VAL A 948 30.157 10.315 21.867 1.00 28.13 A C\nATOM 1965 C VAL A 948 30.089 9.557 20.548 1.00 25.79 A C\nATOM 1966 O VAL A 948 30.941 9.740 19.686 1.00 26.90 A O\nATOM 1967 CB VAL A 948 30.817 9.463 22.997 1.00 35.26 A C\nATOM 1968 CG1 VAL A 948 32.037 8.701 22.473 1.00 32.02 A C\nATOM 1969 CG2 VAL A 948 31.236 10.376 24.148 1.00 32.56 A C\nATOM 1970 N LYS A 949 29.031 8.755 20.361 1.00 27.83 A N\nATOM 1971 CA LYS A 949 28.774 8.081 19.101 1.00 27.08 A C\nATOM 1972 C LYS A 949 28.585 9.047 17.933 1.00 25.07 A C\nATOM 1973 O LYS A 949 29.025 8.744 16.823 1.00 24.22 A O\nATOM 1974 CB LYS A 949 27.539 7.151 19.198 1.00 30.67 A C\nATOM 1975 CG LYS A 949 27.699 5.954 20.116 1.00 50.64 A C\nATOM 1976 CD LYS A 949 26.468 5.062 20.040 1.00 51.67 A C\nATOM 1977 CE LYS A 949 26.423 4.044 21.167 1.00 82.77 A C\nATOM 1978 NZ LYS A 949 25.147 3.272 21.132 1.00 91.62 A N\nATOM 1979 N CYS A 950 27.916 10.191 18.177 1.00 25.41 A N\nATOM 1980 CA CYS A 950 27.705 11.180 17.129 1.00 19.95 A C\nATOM 1981 C CYS A 950 29.041 11.770 16.638 1.00 23.74 A C\nATOM 1982 O CYS A 950 29.101 12.339 15.565 1.00 25.93 A O\nATOM 1983 CB CYS A 950 26.879 12.333 17.670 1.00 19.18 A C\nATOM 1984 SG CYS A 950 25.132 11.865 17.902 1.00 27.36 A S\nATOM 1985 N TRP A 951 30.088 11.654 17.440 1.00 26.52 A N\nATOM 1986 CA TRP A 951 31.397 12.217 17.056 1.00 25.40 A C\nATOM 1987 C TRP A 951 32.490 11.223 16.667 1.00 26.10 A C\nATOM 1988 O TRP A 951 33.711 11.543 16.678 1.00 28.21 A O\nATOM 1989 CB TRP A 951 31.924 13.148 18.145 1.00 29.36 A C\nATOM 1990 CG TRP A 951 30.945 14.182 18.676 1.00 26.70 A C\nATOM 1991 CD1 TRP A 951 30.089 14.983 17.956 1.00 24.99 A C\nATOM 1992 CD2 TRP A 951 30.788 14.550 20.045 1.00 27.29 A C\nATOM 1993 NE1 TRP A 951 29.440 15.834 18.802 1.00 24.81 A N\nATOM 1994 CE2 TRP A 951 29.813 15.567 20.092 1.00 28.56 A C\nATOM 1995 CE3 TRP A 951 31.365 14.099 21.250 1.00 21.85 A C\nATOM 1996 CZ2 TRP A 951 29.396 16.145 21.294 1.00 29.28 A C\nATOM 1997 CZ3 TRP A 951 30.964 14.656 22.427 1.00 26.79 A C\nATOM 1998 CH2 TRP A 951 29.962 15.679 22.449 1.00 25.12 A C\nATOM 1999 N MET A 952 32.068 10.028 16.295 1.00 28.04 A N\nATOM 2000 CA MET A 952 32.971 9.031 15.724 1.00 31.49 A C\nATOM 2001 C MET A 952 33.558 9.485 14.406 1.00 31.35 A C\nATOM 2002 O MET A 952 32.898 10.092 13.574 1.00 22.79 A O\nATOM 2003 CB MET A 952 32.235 7.699 15.549 1.00 29.84 A C\nATOM 2004 CG MET A 952 31.955 7.055 16.881 1.00 35.69 A C\nATOM 2005 SD MET A 952 31.264 5.418 16.645 1.00 50.21 A S\nATOM 2006 CE MET A 952 29.532 5.748 16.482 1.00 49.56 A C\nATOM 2007 N ILE A 953 34.849 9.215 14.207 1.00 26.28 A N\nATOM 2008 CA ILE A 953 35.477 9.572 12.945 1.00 26.84 A C\nATOM 2009 C ILE A 953 34.795 8.949 11.721 1.00 26.04 A C\nATOM 2010 O ILE A 953 34.618 9.606 10.661 1.00 27.41 A O\nATOM 2011 CB ILE A 953 37.008 9.189 13.002 1.00 27.73 A C\nATOM 2012 CG1 ILE A 953 37.730 10.036 14.057 1.00 41.78 A C\nATOM 2013 CG2 ILE A 953 37.658 9.347 11.637 1.00 34.33 A C\nATOM 2014 CD1 ILE A 953 37.358 11.509 14.059 1.00 44.58 A C\nATOM 2015 N ASP A 954 34.376 7.696 11.878 1.00 29.16 A N\nATOM 2016 CA ASP A 954 33.643 6.975 10.837 1.00 25.74 A C\nATOM 2017 C ASP A 954 32.196 7.450 10.801 1.00 28.20 A C\nATOM 2018 O ASP A 954 31.405 7.040 11.644 1.00 28.96 A O\nATOM 2019 CB ASP A 954 33.681 5.473 11.100 1.00 29.26 A C\nATOM 2020 CG ASP A 954 32.932 4.663 10.055 1.00 44.06 A C\nATOM 2021 OD1 ASP A 954 32.812 3.447 10.275 1.00 41.62 A O\nATOM 2022 OD2 ASP A 954 32.448 5.217 9.035 1.00 48.86 A O\nATOM 2023 N ALA A 955 31.874 8.302 9.828 1.00 23.94 A N\nATOM 2024 CA ALA A 955 30.497 8.895 9.752 1.00 27.43 A C\nATOM 2025 C ALA A 955 29.398 7.840 9.609 1.00 26.35 A C\nATOM 2026 O ALA A 955 28.243 8.053 10.075 1.00 28.83 A O\nATOM 2027 CB ALA A 955 30.425 9.862 8.584 1.00 28.45 A C\nATOM 2028 N ASP A 956 29.709 6.752 8.874 1.00 26.69 A N\nATOM 2029 CA ASP A 956 28.798 5.640 8.673 1.00 35.35 A C\nATOM 2030 C ASP A 956 28.457 4.912 9.979 1.00 40.99 A C\nATOM 2031 O ASP A 956 27.404 4.282 10.089 1.00 37.36 A O\nATOM 2032 CB ASP A 956 29.334 4.636 7.633 1.00 32.05 A C\nATOM 2033 CG ASP A 956 29.294 5.172 6.206 1.00 36.02 A C\nATOM 2034 OD1 ASP A 956 28.299 5.828 5.811 1.00 35.49 A O\nATOM 2035 OD2 ASP A 956 30.257 4.924 5.444 1.00 34.40 A O\nATOM 2036 N SER A 957 29.350 4.987 10.957 1.00 27.19 A N\nATOM 2037 CA SER A 957 29.096 4.376 12.282 1.00 33.80 A C\nATOM 2038 C SER A 957 28.258 5.210 13.267 1.00 30.15 A C\nATOM 2039 O SER A 957 27.822 4.689 14.294 1.00 29.39 A O\nATOM 2040 CB SER A 957 30.420 3.971 12.943 1.00 38.98 A C\nATOM 2041 OG SER A 957 30.965 2.841 12.272 1.00 49.31 A O\nATOM 2042 N ARG A 958 28.104 6.507 12.989 1.00 24.60 A N\nATOM 2043 CA ARG A 958 27.427 7.421 13.874 1.00 22.34 A C\nATOM 2044 C ARG A 958 25.958 6.978 13.823 1.00 26.19 A C\nATOM 2045 O ARG A 958 25.567 6.399 12.818 1.00 29.89 A O\nATOM 2046 CB ARG A 958 27.487 8.840 13.320 1.00 22.29 A C\nATOM 2047 CG ARG A 958 28.877 9.471 13.416 1.00 26.42 A C\nATOM 2048 CD ARG A 958 28.968 10.829 12.731 1.00 21.30 A C\nATOM 2049 NE ARG A 958 30.421 11.064 12.508 1.00 23.89 A N\nATOM 2050 CZ ARG A 958 30.895 11.848 11.556 1.00 24.19 A C\nATOM 2051 NH1 ARG A 958 32.214 11.950 11.405 1.00 25.65 A N\nATOM 2052 NH2 ARG A 958 30.062 12.523 10.754 1.00 24.53 A N\nATOM 2053 N PRO A 959 25.180 7.292 14.873 1.00 25.41 A N\nATOM 2054 CA PRO A 959 23.727 6.979 14.901 1.00 29.19 A C\nATOM 2055 C PRO A 959 23.027 7.670 13.743 1.00 29.90 A C\nATOM 2056 O PRO A 959 23.515 8.685 13.220 1.00 29.85 A O\nATOM 2057 CB PRO A 959 23.253 7.611 16.218 1.00 27.16 A C\nATOM 2058 CG PRO A 959 24.496 7.779 17.044 1.00 33.36 A C\nATOM 2059 CD PRO A 959 25.558 8.113 16.031 1.00 25.57 A C\nATOM 2060 N LYS A 960 21.865 7.156 13.352 1.00 29.28 A N\nATOM 2061 CA LYS A 960 21.033 7.865 12.390 1.00 30.63 A C\nATOM 2062 C LYS A 960 19.933 8.641 13.110 1.00 31.70 A C\nATOM 2063 O LYS A 960 19.543 8.314 14.221 1.00 28.52 A O\nATOM 2064 CB LYS A 960 20.365 6.870 11.429 1.00 32.29 A C\nATOM 2065 CG LYS A 960 21.313 5.899 10.741 1.00 36.44 A C\nATOM 2066 CD LYS A 960 22.209 6.612 9.746 1.00 37.47 A C\nATOM 2067 CE LYS A 960 23.462 5.782 9.499 1.00 48.14 A C\nATOM 2068 NZ LYS A 960 23.127 4.504 8.814 1.00 57.44 A N\nATOM 2069 N PHE A 961 19.394 9.652 12.456 1.00 24.91 A N\nATOM 2070 CA PHE A 961 18.433 10.468 13.137 1.00 26.97 A C\nATOM 2071 C PHE A 961 17.237 9.612 13.525 1.00 22.48 A C\nATOM 2072 O PHE A 961 16.689 9.800 14.595 1.00 26.85 A O\nATOM 2073 CB PHE A 961 18.014 11.643 12.277 1.00 33.43 A C\nATOM 2074 CG PHE A 961 19.026 12.743 12.274 1.00 24.90 A C\nATOM 2075 CD1 PHE A 961 19.358 13.369 13.466 1.00 23.94 A C\nATOM 2076 CD2 PHE A 961 19.630 13.143 11.093 1.00 24.13 A C\nATOM 2077 CE1 PHE A 961 20.352 14.358 13.498 1.00 26.04 A C\nATOM 2078 CE2 PHE A 961 20.554 14.165 11.109 1.00 27.17 A C\nATOM 2079 CZ PHE A 961 20.904 14.778 12.306 1.00 25.42 A C\nATOM 2080 N ARG A 962 16.913 8.620 12.705 1.00 24.16 A N\nATOM 2081 CA ARG A 962 15.698 7.803 12.997 1.00 32.45 A C\nATOM 2082 C ARG A 962 15.979 7.043 14.307 1.00 35.66 A C\nATOM 2083 O ARG A 962 15.109 6.916 15.173 1.00 34.39 A O\nATOM 2084 CB ARG A 962 15.393 6.848 11.821 1.00 36.50 A C\nATOM 2085 CG ARG A 962 16.445 5.762 11.594 1.00 48.32 A C\nATOM 2086 CD ARG A 962 16.647 5.384 10.127 1.00 72.54 A C\nATOM 2087 NE ARG A 962 17.491 6.337 9.388 1.00 61.27 A N\nATOM 2088 CZ ARG A 962 18.232 6.030 8.322 1.00 64.43 A C\nATOM 2089 NH1 ARG A 962 18.264 4.780 7.865 1.00 77.99 A N\nATOM 2090 NH2 ARG A 962 18.964 6.968 7.716 1.00 54.18 A N\nATOM 2091 N GLU A 963 17.232 6.598 14.462 1.00 30.85 A N\nATOM 2092 CA GLU A 963 17.713 5.932 15.695 1.00 32.05 A C\nATOM 2093 C GLU A 963 17.723 6.833 16.937 1.00 31.45 A C\nATOM 2094 O GLU A 963 17.424 6.388 18.040 1.00 29.54 A O\nATOM 2095 CB GLU A 963 19.123 5.344 15.466 1.00 37.66 A C\nATOM 2096 CG GLU A 963 19.140 4.191 14.463 1.00 39.70 A C\nATOM 2097 CD GLU A 963 20.539 3.774 14.022 1.00 60.45 A C\nATOM 2098 OE1 GLU A 963 20.644 2.752 13.313 1.00 56.23 A O\nATOM 2099 OE2 GLU A 963 21.533 4.453 14.369 1.00 41.38 A O\nATOM 2100 N LEU A 964 18.100 8.096 16.762 1.00 25.31 A N\nATOM 2101 CA LEU A 964 18.184 9.032 17.859 1.00 26.32 A C\nATOM 2102 C LEU A 964 16.778 9.424 18.328 1.00 26.13 A C\nATOM 2103 O LEU A 964 16.542 9.584 19.516 1.00 28.65 A O\nATOM 2104 CB LEU A 964 18.960 10.264 17.395 1.00 25.89 A C\nATOM 2105 CG LEU A 964 20.460 10.072 17.111 1.00 28.60 A C\nATOM 2106 CD1 LEU A 964 20.942 11.251 16.261 1.00 28.66 A C\nATOM 2107 CD2 LEU A 964 21.206 9.996 18.428 1.00 27.47 A C\nATOM 2108 N ILE A 965 15.848 9.508 17.390 1.00 28.34 A N\nATOM 2109 CA ILE A 965 14.435 9.745 17.762 1.00 26.46 A C\nATOM 2110 C ILE A 965 13.987 8.624 18.726 1.00 30.61 A C\nATOM 2111 O ILE A 965 13.446 8.890 19.807 1.00 35.75 A O\nATOM 2112 CB ILE A 965 13.507 9.775 16.531 1.00 25.40 A C\nATOM 2113 CG1 ILE A 965 13.784 10.979 15.618 1.00 25.97 A C\nATOM 2114 CG2 ILE A 965 12.032 9.811 17.000 1.00 25.35 A C\nATOM 2115 CD1 ILE A 965 13.176 10.873 14.232 1.00 30.34 A C\nATOM 2116 N ILE A 966 14.233 7.375 18.338 1.00 29.68 A N\nATOM 2117 CA ILE A 966 13.841 6.221 19.176 1.00 33.21 A C\nATOM 2118 C ILE A 966 14.534 6.232 20.529 1.00 36.70 A C\nATOM 2119 O ILE A 966 13.885 6.070 21.549 1.00 31.29 A O\nATOM 2120 CB ILE A 966 14.066 4.878 18.435 1.00 37.90 A C\nATOM 2121 CG1 ILE A 966 13.175 4.837 17.184 1.00 35.13 A C\nATOM 2122 CG2 ILE A 966 13.825 3.690 19.359 1.00 38.22 A C\nATOM 2123 CD1 ILE A 966 13.473 3.718 16.211 1.00 39.64 A C\nATOM 2124 N GLU A 967 15.857 6.436 20.546 1.00 29.87 A N\nATOM 2125 CA GLU A 967 16.596 6.395 21.799 1.00 30.45 A C\nATOM 2126 C GLU A 967 16.229 7.514 22.744 1.00 27.32 A C\nATOM 2127 O GLU A 967 16.050 7.279 23.938 1.00 31.31 A O\nATOM 2128 CB GLU A 967 18.118 6.417 21.550 1.00 29.82 A C\nATOM 2129 CG GLU A 967 18.888 6.111 22.833 1.00 41.91 A C\nATOM 2130 CD GLU A 967 20.220 5.413 22.612 1.00 67.96 A C\nATOM 2131 OE1 GLU A 967 20.706 5.384 21.459 1.00 72.73 A O\nATOM 2132 OE2 GLU A 967 20.787 4.895 23.605 1.00 71.12 A O\nATOM 2133 N PHE A 968 16.157 8.746 22.244 1.00 25.09 A N\nATOM 2134 CA PHE A 968 15.799 9.825 23.118 1.00 24.70 A C\nATOM 2135 C PHE A 968 14.334 9.732 23.526 1.00 27.77 A C\nATOM 2136 O PHE A 968 13.984 10.202 24.602 1.00 33.79 A O\nATOM 2137 CB PHE A 968 16.098 11.200 22.519 1.00 29.04 A C\nATOM 2138 CG PHE A 968 17.534 11.615 22.687 1.00 26.08 A C\nATOM 2139 CD1 PHE A 968 17.986 12.107 23.923 1.00 28.02 A C\nATOM 2140 CD2 PHE A 968 18.414 11.523 21.643 1.00 31.48 A C\nATOM 2141 CE1 PHE A 968 19.312 12.484 24.098 1.00 37.91 A C\nATOM 2142 CE2 PHE A 968 19.764 11.894 21.814 1.00 28.57 A C\nATOM 2143 CZ PHE A 968 20.193 12.375 23.040 1.00 28.34 A C\nATOM 2144 N SER A 969 13.498 9.131 22.682 1.00 30.87 A N\nATOM 2145 CA SER A 969 12.068 8.965 23.060 1.00 33.85 A C\nATOM 2146 C SER A 969 11.898 7.999 24.228 1.00 33.17 A C\nATOM 2147 O SER A 969 11.093 8.243 25.128 1.00 34.84 A O\nATOM 2148 CB SER A 969 11.181 8.532 21.883 1.00 32.06 A C\nATOM 2149 OG SER A 969 10.991 9.585 20.955 1.00 33.02 A O\nATOM 2150 N LYS A 970 12.652 6.908 24.205 1.00 32.14 A N\nATOM 2151 CA LYS A 970 12.703 5.961 25.309 1.00 37.37 A C\nATOM 2152 C LYS A 970 13.193 6.609 26.609 1.00 39.04 A C\nATOM 2153 O LYS A 970 12.638 6.378 27.685 1.00 34.22 A O\nATOM 2154 CB LYS A 970 13.586 4.781 24.930 1.00 44.71 A C\nATOM 2155 CG LYS A 970 13.514 3.603 25.888 1.00 54.40 A C\nATOM 2156 CD LYS A 970 14.842 2.871 25.914 1.00 66.75 A C\nATOM 2157 CE LYS A 970 15.858 3.647 26.735 1.00 61.14 A C\nATOM 2158 NZ LYS A 970 17.221 3.578 26.145 1.00 57.30 A N\nATOM 2159 N MET A 971 14.221 7.447 26.507 1.00 34.27 A N\nATOM 2160 CA MET A 971 14.714 8.170 27.667 1.00 38.53 A C\nATOM 2161 C MET A 971 13.699 9.182 28.205 1.00 36.40 A C\nATOM 2162 O MET A 971 13.541 9.326 29.421 1.00 37.01 A O\nATOM 2163 CB MET A 971 16.045 8.860 27.343 1.00 32.59 A C\nATOM 2164 CG MET A 971 17.187 7.876 27.201 1.00 37.63 A C\nATOM 2165 SD MET A 971 18.730 8.693 26.743 1.00 42.65 A S\nATOM 2166 CE MET A 971 19.755 7.243 26.504 1.00 41.03 A C\nATOM 2167 N ALA A 972 13.022 9.881 27.306 1.00 35.63 A N\nATOM 2168 CA ALA A 972 12.009 10.863 27.707 1.00 40.29 A C\nATOM 2169 C ALA A 972 10.846 10.214 28.471 1.00 39.74 A C\nATOM 2170 O ALA A 972 10.048 10.905 29.100 1.00 41.83 A O\nATOM 2171 CB ALA A 972 11.484 11.612 26.501 1.00 36.65 A C\nATOM 2172 N ARG A 973 10.763 8.890 28.411 1.00 38.80 A N\nATOM 2173 CA ARG A 973 9.721 8.145 29.122 1.00 45.17 A C\nATOM 2174 C ARG A 973 10.071 7.938 30.587 1.00 46.95 A C\nATOM 2175 O ARG A 973 9.193 7.680 31.408 1.00 46.82 A O\nATOM 2176 CB ARG A 973 9.460 6.799 28.448 1.00 49.11 A C\nATOM 2177 CG ARG A 973 8.497 6.894 27.281 1.00 63.00 A C\nATOM 2178 CD ARG A 973 8.006 5.523 26.852 1.00 68.86 A C\nATOM 2179 NE ARG A 973 8.972 4.845 25.992 1.00 74.80 A N\nATOM 2180 CZ ARG A 973 9.147 5.112 24.699 1.00 74.25 A C\nATOM 2181 NH1 ARG A 973 8.426 6.054 24.094 1.00 60.78 A N\nATOM 2182 NH2 ARG A 973 10.052 4.439 24.007 1.00 62.58 A N\nATOM 2183 N ASP A 974 11.356 8.059 30.913 1.00 44.27 A N\nATOM 2184 CA ASP A 974 11.825 7.902 32.281 1.00 40.09 A C\nATOM 2185 C ASP A 974 12.989 8.886 32.485 1.00 43.22 A C\nATOM 2186 O ASP A 974 14.125 8.467 32.685 1.00 44.56 A O\nATOM 2187 CB ASP A 974 12.254 6.440 32.496 1.00 49.38 A C\nATOM 2188 CG ASP A 974 12.701 6.146 33.922 1.00 50.59 A C\nATOM 2189 OD1 ASP A 974 12.452 6.968 34.825 1.00 48.82 A O\nATOM 2190 OD2 ASP A 974 13.317 5.076 34.134 1.00 59.91 A O\nATOM 2191 N PRO A 975 12.706 10.199 32.427 1.00 47.74 A N\nATOM 2192 CA PRO A 975 13.787 11.200 32.291 1.00 38.86 A C\nATOM 2193 C PRO A 975 14.784 11.235 33.452 1.00 49.16 A C\nATOM 2194 O PRO A 975 15.972 11.511 33.256 1.00 35.53 A O\nATOM 2195 CB PRO A 975 13.033 12.530 32.189 1.00 42.70 A C\nATOM 2196 CG PRO A 975 11.678 12.271 32.763 1.00 40.71 A C\nATOM 2197 CD PRO A 975 11.371 10.826 32.491 1.00 37.78 A C\nATOM 2198 N GLN A 976 14.305 10.943 34.654 1.00 46.37 A N\nATOM 2199 CA GLN A 976 15.132 11.037 35.844 1.00 44.65 A C\nATOM 2200 C GLN A 976 16.125 9.898 35.976 1.00 44.99 A C\nATOM 2201 O GLN A 976 17.103 10.018 36.712 1.00 46.21 A O\nATOM 2202 CB GLN A 976 14.268 11.228 37.092 1.00 49.69 A C\nATOM 2203 CG GLN A 976 13.475 12.530 37.034 1.00 56.06 A C\nATOM 2204 CD GLN A 976 12.517 12.716 38.191 1.00 63.88 A C\nATOM 2205 OE1 GLN A 976 11.316 12.930 37.993 1.00 71.50 A O\nATOM 2206 NE2 GLN A 976 13.039 12.644 39.403 1.00 50.50 A N\nATOM 2207 N ARG A 977 15.884 8.808 35.243 1.00 42.74 A N\nATOM 2208 CA ARG A 977 16.888 7.757 35.069 1.00 45.63 A C\nATOM 2209 C ARG A 977 18.112 8.246 34.274 1.00 43.53 A C\nATOM 2210 O ARG A 977 19.234 7.782 34.496 1.00 42.89 A O\nATOM 2211 CB ARG A 977 16.281 6.535 34.364 1.00 45.27 A C\nATOM 2212 CG ARG A 977 17.132 5.283 34.472 1.00 46.22 A C\nATOM 2213 CD ARG A 977 16.596 4.107 33.671 1.00 54.73 A C\nATOM 2214 NE ARG A 977 17.709 3.226 33.297 1.00 57.38 A N\nATOM 2215 CZ ARG A 977 17.623 2.135 32.532 1.00 64.89 A C\nATOM 2216 NH1 ARG A 977 18.720 1.429 32.275 1.00 58.85 A N\nATOM 2217 NH2 ARG A 977 16.465 1.744 32.016 1.00 46.96 A N\nATOM 2218 N TYR A 978 17.904 9.187 33.354 1.00 45.93 A N\nATOM 2219 CA TYR A 978 18.962 9.530 32.383 1.00 38.90 A C\nATOM 2220 C TYR A 978 19.665 10.872 32.595 1.00 39.82 A C\nATOM 2221 O TYR A 978 20.848 11.039 32.216 1.00 32.24 A O\nATOM 2222 CB TYR A 978 18.411 9.401 30.966 1.00 35.50 A C\nATOM 2223 CG TYR A 978 17.969 7.990 30.665 1.00 38.93 A C\nATOM 2224 CD1 TYR A 978 16.619 7.628 30.743 1.00 41.70 A C\nATOM 2225 CD2 TYR A 978 18.900 7.009 30.321 1.00 39.01 A C\nATOM 2226 CE1 TYR A 978 16.211 6.324 30.474 1.00 40.99 A C\nATOM 2227 CE2 TYR A 978 18.500 5.699 30.064 1.00 43.77 A C\nATOM 2228 CZ TYR A 978 17.154 5.369 30.140 1.00 47.30 A C\nATOM 2229 OH TYR A 978 16.756 4.081 29.863 1.00 43.86 A O\nATOM 2230 N LEU A 979 18.938 11.822 33.181 1.00 32.08 A N\nATOM 2231 CA LEU A 979 19.534 13.110 33.578 1.00 32.15 A C\nATOM 2232 C LEU A 979 19.379 13.331 35.074 1.00 37.34 A C\nATOM 2233 O LEU A 979 18.300 13.095 35.640 1.00 40.97 A O\nATOM 2234 CB LEU A 979 18.920 14.286 32.787 1.00 32.90 A C\nATOM 2235 CG LEU A 979 19.028 14.222 31.257 1.00 37.92 A C\nATOM 2236 CD1 LEU A 979 18.289 15.375 30.604 1.00 34.76 A C\nATOM 2237 CD2 LEU A 979 20.481 14.218 30.787 1.00 30.23 A C\nATOM 2238 N VAL A 980 20.460 13.780 35.710 1.00 35.35 A N\nATOM 2239 CA VAL A 980 20.490 14.006 37.150 1.00 41.00 A C\nATOM 2240 C VAL A 980 20.533 15.506 37.424 1.00 40.10 A C\nATOM 2241 O VAL A 980 21.585 16.134 37.309 1.00 40.40 A O\nATOM 2242 CB VAL A 980 21.692 13.297 37.827 1.00 41.35 A C\nATOM 2243 CG1 VAL A 980 21.594 13.413 39.343 1.00 47.67 A C\nATOM 2244 CG2 VAL A 980 21.748 11.832 37.428 1.00 44.11 A C\nATOM 2245 N ILE A 981 19.380 16.067 37.785 1.00 38.21 A N\nATOM 2246 CA ILE A 981 19.229 17.500 38.005 1.00 41.44 A C\nATOM 2247 C ILE A 981 18.665 17.708 39.411 1.00 50.08 A C\nATOM 2248 O ILE A 981 17.603 17.179 39.731 1.00 46.16 A O\nATOM 2249 CB ILE A 981 18.273 18.126 36.956 1.00 43.63 A C\nATOM 2250 CG1 ILE A 981 18.811 17.912 35.526 1.00 40.45 A C\nATOM 2251 CG2 ILE A 981 18.020 19.603 37.244 1.00 44.86 A C\nATOM 2252 CD1 ILE A 981 17.808 18.200 34.428 1.00 44.41 A C\nATOM 2253 N GLN A 982 19.367 18.469 40.247 1.00 50.83 A N\nATOM 2254 CA GLN A 982 18.880 18.741 41.600 1.00 51.62 A C\nATOM 2255 C GLN A 982 17.574 19.526 41.551 1.00 55.46 A C\nATOM 2256 O GLN A 982 17.480 20.552 40.874 1.00 57.81 A O\nATOM 2257 CB GLN A 982 19.919 19.503 42.417 1.00 66.60 A C\nATOM 2258 CG GLN A 982 19.629 19.481 43.912 1.00 84.41 A C\nATOM 2259 CD GLN A 982 20.596 20.323 44.721 1.00 91.98 A C\nATOM 2260 OE1 GLN A 982 20.963 21.428 44.321 1.00 79.66 A O\nATOM 2261 NE2 GLN A 982 21.005 19.805 45.874 1.00 98.17 A N\nATOM 2262 N GLY A 983 16.564 19.031 42.260 1.00 57.34 A N\nATOM 2263 CA GLY A 983 15.272 19.707 42.324 1.00 58.56 A C\nATOM 2264 C GLY A 983 14.382 19.380 41.140 1.00 64.74 A C\nATOM 2265 O GLY A 983 13.302 19.957 40.991 1.00 57.96 A O\nATOM 2266 N ASP A 984 14.829 18.429 40.319 1.00 58.41 A N\nATOM 2267 CA ASP A 984 14.153 18.052 39.082 1.00 50.51 A C\nATOM 2268 C ASP A 984 12.631 17.979 39.234 1.00 54.41 A C\nATOM 2269 O ASP A 984 11.900 18.579 38.444 1.00 54.82 A O\nATOM 2270 CB ASP A 984 14.706 16.714 38.572 1.00 41.18 A C\nATOM 2271 CG ASP A 984 14.494 16.510 37.081 1.00 51.31 A C\nATOM 2272 OD1 ASP A 984 13.942 17.406 36.407 1.00 55.80 A O\nATOM 2273 OD2 ASP A 984 14.890 15.434 36.583 1.00 53.67 A O\nATOM 2274 N GLU A 985 12.168 17.250 40.250 1.00 61.44 A N\nATOM 2275 CA GLU A 985 10.734 17.068 40.514 1.00 75.39 A C\nATOM 2276 C GLU A 985 9.997 18.398 40.742 1.00 70.39 A C\nATOM 2277 O GLU A 985 8.878 18.582 40.260 1.00 71.81 A O\nATOM 2278 CB GLU A 985 10.529 16.127 41.710 1.00 87.47 A C\nATOM 2279 CG GLU A 985 9.132 15.530 41.829 1.00106.30 A C\nATOM 2280 CD GLU A 985 8.910 14.338 40.911 1.00119.07 A C\nATOM 2281 OE1 GLU A 985 9.723 13.387 40.948 1.00109.24 A O\nATOM 2282 OE2 GLU A 985 7.911 14.345 40.160 1.00120.64 A O\nATOM 2283 N ARG A 986 10.636 19.315 41.465 1.00 70.04 A N\nATOM 2284 CA ARG A 986 10.063 20.626 41.770 1.00 74.49 A C\nATOM 2285 C ARG A 986 10.618 21.720 40.852 1.00 82.24 A C\nATOM 2286 O ARG A 986 11.241 22.679 41.317 1.00 98.92 A O\nATOM 2287 CB ARG A 986 10.291 20.990 43.249 1.00 78.16 A C\nATOM 2288 CG ARG A 986 9.347 20.310 44.236 1.00 89.52 A C\nATOM 2289 CD ARG A 986 9.857 18.947 44.685 1.00 91.30 A C\nATOM 2290 NE ARG A 986 10.823 19.046 45.780 1.00105.11 A N\nATOM 2291 CZ ARG A 986 10.561 18.740 47.050 1.00116.04 A C\nATOM 2292 NH1 ARG A 986 9.358 18.302 47.404 1.00113.63 A N\nATOM 2293 NH2 ARG A 986 11.509 18.865 47.973 1.00102.80 A N\nATOM 2294 N MET A 987 10.395 21.570 39.548 1.00 81.34 A N\nATOM 2295 CA MET A 987 10.823 22.582 38.579 1.00 74.92 A C\nATOM 2296 C MET A 987 9.706 23.056 37.667 1.00 78.05 A C\nATOM 2297 O MET A 987 9.112 22.272 36.924 1.00 65.68 A O\nATOM 2298 CB MET A 987 12.022 22.112 37.756 1.00 80.36 A C\nATOM 2299 CG MET A 987 13.333 22.695 38.244 1.00 67.52 A C\nATOM 2300 SD MET A 987 14.745 21.861 37.521 1.00 74.21 A S\nATOM 2301 CE MET A 987 16.070 22.517 38.532 1.00 74.56 A C\nATOM 2302 N HIS A 988 9.450 24.356 37.730 1.00 94.20 A N\nATOM 2303 CA HIS A 988 8.340 24.980 37.028 1.00 94.97 A C\nATOM 2304 C HIS A 988 8.871 25.986 36.014 1.00 76.90 A C\nATOM 2305 O HIS A 988 9.596 26.914 36.376 1.00 78.04 A O\nATOM 2306 CB HIS A 988 7.414 25.673 38.040 1.00115.88 A C\nATOM 2307 CG HIS A 988 8.135 26.558 39.016 1.00132.41 A C\nATOM 2308 ND1 HIS A 988 8.836 26.062 40.095 1.00126.55 A N\nATOM 2309 CD2 HIS A 988 8.264 27.905 39.071 1.00128.35 A C\nATOM 2310 CE1 HIS A 988 9.366 27.065 40.772 1.00120.82 A C\nATOM 2311 NE2 HIS A 988 9.034 28.194 40.172 1.00121.40 A N\nATOM 2312 N LEU A 989 8.529 25.798 34.744 1.00 61.44 A N\nATOM 2313 CA LEU A 989 8.944 26.763 33.728 1.00 72.63 A C\nATOM 2314 C LEU A 989 8.065 28.009 33.747 1.00 85.75 A C\nATOM 2315 O LEU A 989 6.834 27.894 33.749 1.00 68.16 A O\nATOM 2316 CB LEU A 989 8.997 26.145 32.325 1.00 67.66 A C\nATOM 2317 CG LEU A 989 10.311 25.454 31.936 1.00 67.91 A C\nATOM 2318 CD1 LEU A 989 10.234 25.008 30.488 1.00 65.81 A C\nATOM 2319 CD2 LEU A 989 11.531 26.344 32.152 1.00 50.84 A C\nATOM 2320 N PRO A 990 8.700 29.202 33.773 1.00 86.52 A N\nATOM 2321 CA PRO A 990 7.985 30.476 33.786 1.00 89.95 A C\nATOM 2322 C PRO A 990 7.082 30.614 32.576 1.00 85.79 A C\nATOM 2323 O PRO A 990 7.395 30.085 31.505 1.00 80.02 A O\nATOM 2324 CB PRO A 990 9.110 31.515 33.708 1.00 92.65 A C\nATOM 2325 CG PRO A 990 10.305 30.821 34.259 1.00 91.35 A C\nATOM 2326 CD PRO A 990 10.161 29.400 33.802 1.00 83.38 A C\nATOM 2327 N SER A 991 5.965 31.312 32.762 1.00 84.48 A N\nATOM 2328 CA SER A 991 5.051 31.639 31.676 1.00 93.44 A C\nATOM 2329 C SER A 991 5.854 32.156 30.482 1.00 92.51 A C\nATOM 2330 O SER A 991 6.660 33.080 30.632 1.00 91.73 A O\nATOM 2331 CB SER A 991 4.032 32.684 32.138 1.00 98.17 A C\nATOM 2332 OG SER A 991 3.057 32.924 31.141 1.00 92.32 A O\nATOM 2333 N PRO A 992 5.655 31.541 29.299 1.00 96.28 A N\nATOM 2334 CA PRO A 992 6.471 31.836 28.118 1.00 93.22 A C\nATOM 2335 C PRO A 992 6.521 33.327 27.773 1.00101.42 A C\nATOM 2336 O PRO A 992 7.588 33.832 27.417 1.00105.40 A O\nATOM 2337 CB PRO A 992 5.781 31.044 26.999 1.00 89.86 A C\nATOM 2338 CG PRO A 992 5.037 29.959 27.697 1.00 95.22 A C\nATOM 2339 CD PRO A 992 4.610 30.540 29.012 1.00100.69 A C\nATOM 2340 N THR A 993 5.386 34.019 27.896 1.00 81.78 A N\nATOM 2341 CA THR A 993 5.290 35.439 27.527 1.00 91.40 A C\nATOM 2342 C THR A 993 5.809 36.395 28.607 1.00106.34 A C\nATOM 2343 O THR A 993 5.974 37.594 28.355 1.00103.45 A O\nATOM 2344 CB THR A 993 3.857 35.833 27.114 1.00 90.34 A C\nATOM 2345 OG1 THR A 993 2.911 35.171 27.963 1.00 97.10 A O\nATOM 2346 CG2 THR A 993 3.590 35.439 25.666 1.00 85.30 A C\nATOM 2347 N ASP A 994 6.066 35.861 29.800 1.00111.43 A N\nATOM 2348 CA ASP A 994 6.711 36.622 30.869 1.00102.16 A C\nATOM 2349 C ASP A 994 8.228 36.642 30.686 1.00 91.62 A C\nATOM 2350 O ASP A 994 8.942 37.286 31.459 1.00 91.58 A O\nATOM 2351 CB ASP A 994 6.352 36.050 32.248 1.00102.74 A C\nATOM 2352 CG ASP A 994 4.889 36.266 32.618 1.00109.76 A C\nATOM 2353 OD1 ASP A 994 4.078 36.622 31.733 1.00 97.63 A O\nATOM 2354 OD2 ASP A 994 4.551 36.072 33.807 1.00 97.59 A O\nATOM 2355 N SER A 995 8.716 35.937 29.664 1.00 82.22 A N\nATOM 2356 CA SER A 995 10.146 35.925 29.364 1.00 72.60 A C\nATOM 2357 C SER A 995 10.578 37.299 28.878 1.00 75.53 A C\nATOM 2358 O SER A 995 9.802 38.037 28.253 1.00 70.58 A O\nATOM 2359 CB SER A 995 10.526 34.838 28.336 1.00 76.40 A C\nATOM 2360 OG SER A 995 10.649 35.348 27.010 1.00 56.44 A O\nATOM 2361 N ASN A 996 11.823 37.631 29.181 1.00 70.57 A N\nATOM 2362 CA ASN A 996 12.399 38.885 28.758 1.00 73.99 A C\nATOM 2363 C ASN A 996 12.426 38.999 27.234 1.00 75.58 A C\nATOM 2364 O ASN A 996 12.012 40.027 26.679 1.00 73.07 A O\nATOM 2365 CB ASN A 996 13.791 39.042 29.372 1.00 63.63 A C\nATOM 2366 CG ASN A 996 13.744 39.179 30.887 1.00 74.59 A C\nATOM 2367 OD1 ASN A 996 12.766 39.689 31.448 1.00 68.42 A O\nATOM 2368 ND2 ASN A 996 14.799 38.723 31.558 1.00 60.65 A N\nATOM 2369 N PHE A 997 12.862 37.923 26.570 1.00 67.63 A N\nATOM 2370 CA PHE A 997 13.005 37.907 25.112 1.00 45.42 A C\nATOM 2371 C PHE A 997 11.723 38.287 24.381 1.00 51.92 A C\nATOM 2372 O PHE A 997 11.767 39.103 23.461 1.00 62.38 A O\nATOM 2373 CB PHE A 997 13.574 36.568 24.597 1.00 55.03 A C\nATOM 2374 CG PHE A 997 14.234 36.683 23.247 1.00 45.20 A C\nATOM 2375 CD1 PHE A 997 13.478 36.619 22.079 1.00 41.23 A C\nATOM 2376 CD2 PHE A 997 15.601 36.904 23.143 1.00 48.66 A C\nATOM 2377 CE1 PHE A 997 14.070 36.757 20.831 1.00 36.44 A C\nATOM 2378 CE2 PHE A 997 16.208 37.047 21.903 1.00 48.46 A C\nATOM 2379 CZ PHE A 997 15.445 36.979 20.742 1.00 37.79 A C\nATOM 2380 N TYR A 998 10.589 37.715 24.789 1.00 43.98 A N\nATOM 2381 CA TYR A 998 9.319 37.981 24.111 1.00 50.06 A C\nATOM 2382 C TYR A 998 8.932 39.466 24.207 1.00 52.66 A C\nATOM 2383 O TYR A 998 8.694 40.110 23.181 1.00 50.37 A O\nATOM 2384 CB TYR A 998 8.182 37.087 24.631 1.00 50.26 A C\nATOM 2385 CG TYR A 998 6.861 37.329 23.917 1.00 53.59 A C\nATOM 2386 CD1 TYR A 998 6.503 36.573 22.808 1.00 65.72 A C\nATOM 2387 CD2 TYR A 998 5.975 38.320 24.349 1.00 66.46 A C\nATOM 2388 CE1 TYR A 998 5.305 36.785 22.146 1.00 71.54 A C\nATOM 2389 CE2 TYR A 998 4.776 38.545 23.691 1.00 67.06 A C\nATOM 2390 CZ TYR A 998 4.445 37.775 22.590 1.00 81.38 A C\nATOM 2391 OH TYR A 998 3.255 37.987 21.927 1.00 83.86 A O\nATOM 2392 N ARG A 999 8.874 39.991 25.432 1.00 56.42 A N\nATOM 2393 CA ARG A 999 8.503 41.399 25.661 1.00 66.76 A C\nATOM 2394 C ARG A 999 9.413 42.378 24.905 1.00 72.09 A C\nATOM 2395 O ARG A 999 8.908 43.316 24.264 1.00 54.14 A O\nATOM 2396 CB ARG A 999 8.470 41.731 27.157 1.00 75.45 A C\nATOM 2397 CG ARG A 999 7.216 41.268 27.883 1.00 74.94 A C\nATOM 2398 CD ARG A 999 7.080 41.993 29.214 1.00 92.57 A C\nATOM 2399 NE ARG A 999 5.868 41.637 29.954 1.00100.40 A N\nATOM 2400 CZ ARG A 999 4.684 42.235 29.815 1.00 91.52 A C\nATOM 2401 NH1 ARG A 999 3.653 41.834 30.548 1.00 82.09 A N\nATOM 2402 NH2 ARG A 999 4.521 43.229 28.948 1.00 73.74 A N\nATOM 2403 N ALA A1000 10.733 42.126 24.981 1.00 57.15 A N\nATOM 2404 CA ALA A1000 11.789 42.855 24.248 1.00 68.38 A C\nATOM 2405 C ALA A1000 11.556 42.981 22.738 1.00 71.95 A C\nATOM 2406 O ALA A1000 12.022 43.944 22.112 1.00 65.03 A O\nATOM 2407 CB ALA A1000 13.165 42.217 24.502 1.00 40.39 A C\nATOM 2408 N LEU A1001 10.858 42.001 22.161 1.00 46.21 A N\nATOM 2409 CA LEU A1001 10.599 41.970 20.736 1.00 40.49 A C\nATOM 2410 C LEU A1001 9.259 42.576 20.348 1.00 53.57 A C\nATOM 2411 O LEU A1001 9.165 43.282 19.337 1.00 53.84 A O\nATOM 2412 CB LEU A1001 10.631 40.517 20.238 1.00 45.77 A C\nATOM 2413 CG LEU A1001 11.848 40.057 19.447 1.00 44.23 A C\nATOM 2414 CD1 LEU A1001 13.080 40.042 20.339 1.00 48.87 A C\nATOM 2415 CD2 LEU A1001 11.594 38.682 18.855 1.00 41.26 A C\nATOM 2416 N MET A1002 8.227 42.280 21.138 1.00 53.10 A N\nATOM 2417 CA MET A1002 6.840 42.522 20.706 1.00 62.26 A C\nATOM 2418 C MET A1002 6.179 43.786 21.256 1.00 69.68 A C\nATOM 2419 O MET A1002 5.263 44.326 20.625 1.00 61.34 A O\nATOM 2420 CB MET A1002 5.961 41.304 21.002 1.00 58.73 A C\nATOM 2421 CG MET A1002 6.454 39.993 20.406 1.00 69.22 A C\nATOM 2422 SD MET A1002 6.912 40.077 18.661 1.00 66.89 A S\nATOM 2423 CE MET A1002 5.350 40.495 17.883 1.00 72.08 A C\nATOM 2424 N ASP A1003 6.640 44.251 22.416 1.00 73.79 A N\nATOM 2425 CA ASP A1003 6.024 45.404 23.095 1.00 93.71 A C\nATOM 2426 C ASP A1003 6.280 46.765 22.430 1.00 87.67 A C\nATOM 2427 O ASP A1003 5.575 47.736 22.721 1.00 88.50 A O\nATOM 2428 CB ASP A1003 6.420 45.449 24.578 1.00 89.49 A C\nATOM 2429 CG ASP A1003 5.643 44.452 25.426 1.00 94.17 A C\nATOM 2430 OD1 ASP A1003 5.332 43.344 24.936 1.00 89.80 A O\nATOM 2431 OD2 ASP A1003 5.350 44.779 26.596 1.00109.80 A O\nATOM 2432 N GLU A1004 7.276 46.830 21.546 1.00 85.41 A N\nATOM 2433 CA GLU A1004 7.565 48.046 20.781 1.00 93.45 A C\nATOM 2434 C GLU A1004 6.314 48.554 20.060 1.00 91.45 A C\nATOM 2435 O GLU A1004 5.539 47.762 19.520 1.00 82.23 A O\nATOM 2436 CB GLU A1004 8.690 47.788 19.775 1.00 93.39 A C\nATOM 2437 CG GLU A1004 9.148 49.021 19.005 1.00 94.09 A C\nATOM 2438 CD GLU A1004 10.248 48.715 18.005 1.00101.52 A C\nATOM 2439 OE1 GLU A1004 10.530 49.583 17.147 1.00 80.73 A O\nATOM 2440 OE2 GLU A1004 10.832 47.611 18.072 1.00 81.92 A O\nATOM 2441 N GLU A1005 6.126 49.874 20.064 1.00 95.81 A N\nATOM 2442 CA GLU A1005 4.944 50.509 19.468 1.00104.88 A C\nATOM 2443 C GLU A1005 4.859 50.336 17.949 1.00106.59 A C\nATOM 2444 O GLU A1005 3.762 50.332 17.384 1.00111.84 A O\nATOM 2445 CB GLU A1005 4.872 51.991 19.851 1.00104.00 A C\nATOM 2446 CG GLU A1005 4.303 52.231 21.243 1.00107.89 A C\nATOM 2447 CD GLU A1005 4.496 53.654 21.742 1.00110.98 A C\nATOM 2448 OE1 GLU A1005 4.178 53.906 22.925 1.00 95.43 A O\nATOM 2449 OE2 GLU A1005 4.963 54.518 20.966 1.00103.24 A O\nATOM 2450 N ASP A1006 6.016 50.190 17.301 1.00117.69 A N\nATOM 2451 CA ASP A1006 6.085 49.910 15.862 1.00122.83 A C\nATOM 2452 C ASP A1006 5.346 48.617 15.502 1.00114.70 A C\nATOM 2453 O ASP A1006 4.738 48.520 14.432 1.00108.57 A O\nATOM 2454 CB ASP A1006 7.541 49.857 15.382 1.00123.65 A C\nATOM 2455 CG ASP A1006 8.165 51.241 15.222 1.00120.44 A C\nATOM 2456 OD1 ASP A1006 7.426 52.226 15.000 1.00108.22 A O\nATOM 2457 OD2 ASP A1006 9.407 51.342 15.307 1.00108.51 A O\nATOM 2458 N MET A1007 5.403 47.637 16.405 1.00 95.23 A N\nATOM 2459 CA MET A1007 4.582 46.431 16.311 1.00 90.94 A C\nATOM 2460 C MET A1007 3.162 46.781 16.768 1.00 99.19 A C\nATOM 2461 O MET A1007 2.757 46.435 17.880 1.00109.79 A O\nATOM 2462 CB MET A1007 5.163 45.292 17.172 1.00 83.16 A C\nATOM 2463 CG MET A1007 6.685 45.153 17.169 1.00 67.00 A C\nATOM 2464 SD MET A1007 7.428 44.700 15.581 1.00 68.15 A S\nATOM 2465 CE MET A1007 6.871 43.001 15.382 1.00 58.33 A C\nATOM 2466 N ASP A1008 2.420 47.477 15.905 1.00111.50 A N\nATOM 2467 CA ASP A1008 1.107 48.039 16.253 1.00111.00 A C\nATOM 2468 C ASP A1008 0.024 46.965 16.422 1.00105.42 A C\nATOM 2469 O ASP A1008 -0.178 46.451 17.524 1.00105.28 A O\nATOM 2470 CB ASP A1008 0.682 49.099 15.220 1.00123.41 A C\nATOM 2471 CG ASP A1008 -0.499 49.949 15.690 1.00120.55 A C\nATOM 2472 OD1 ASP A1008 -1.629 49.728 15.200 1.00 80.53 A O\nATOM 2473 OD2 ASP A1008 -0.301 50.839 16.547 1.00117.47 A O\nATOM 2474 N ASP A1009 -0.672 46.641 15.333 1.00102.23 A N\nATOM 2475 CA ASP A1009 -1.728 45.629 15.348 1.00100.67 A C\nATOM 2476 C ASP A1009 -1.355 44.501 14.390 1.00 93.72 A C\nATOM 2477 O ASP A1009 -1.402 44.671 13.165 1.00 74.22 A O\nATOM 2478 CB ASP A1009 -3.084 46.245 14.971 1.00101.82 A C\nATOM 2479 CG ASP A1009 -3.662 47.128 16.072 1.00113.32 A C\nATOM 2480 OD1 ASP A1009 -4.035 48.284 15.777 1.00104.40 A O\nATOM 2481 OD2 ASP A1009 -3.754 46.668 17.231 1.00113.63 A O\nATOM 2482 N VAL A1010 -0.985 43.353 14.957 1.00 93.07 A N\nATOM 2483 CA VAL A1010 -0.383 42.257 14.187 1.00 80.23 A C\nATOM 2484 C VAL A1010 -1.136 40.925 14.278 1.00 79.25 A C\nATOM 2485 O VAL A1010 -1.857 40.676 15.248 1.00 78.35 A O\nATOM 2486 CB VAL A1010 1.103 42.050 14.572 1.00 82.37 A C\nATOM 2487 CG1 VAL A1010 1.915 43.299 14.251 1.00 87.87 A C\nATOM 2488 CG2 VAL A1010 1.248 41.678 16.045 1.00 79.77 A C\nATOM 2489 N VAL A1011 -0.963 40.087 13.251 1.00 68.99 A N\nATOM 2490 CA VAL A1011 -1.523 38.727 13.204 1.00 64.51 A C\nATOM 2491 C VAL A1011 -0.404 37.704 12.973 1.00 77.21 A C\nATOM 2492 O VAL A1011 0.322 37.780 11.976 1.00 67.63 A O\nATOM 2493 CB VAL A1011 -2.604 38.567 12.100 1.00 69.31 A C\nATOM 2494 CG1 VAL A1011 -3.068 37.117 11.995 1.00 73.03 A C\nATOM 2495 CG2 VAL A1011 -3.800 39.476 12.359 1.00 60.85 A C\nATOM 2496 N ASP A1012 -0.283 36.751 13.898 1.00 78.10 A N\nATOM 2497 CA ASP A1012 0.709 35.675 13.829 1.00 78.78 A C\nATOM 2498 C ASP A1012 0.619 34.932 12.495 1.00 74.28 A C\nATOM 2499 O ASP A1012 -0.485 34.665 12.006 1.00 66.35 A O\nATOM 2500 CB ASP A1012 0.493 34.703 14.996 1.00 81.42 A C\nATOM 2501 CG ASP A1012 1.685 33.798 15.237 1.00 99.02 A C\nATOM 2502 OD1 ASP A1012 2.690 34.271 15.810 1.00104.15 A O\nATOM 2503 OD2 ASP A1012 1.608 32.606 14.874 1.00101.05 A O\nATOM 2504 N ALA A1013 1.772 34.604 11.907 1.00 52.96 A N\nATOM 2505 CA ALA A1013 1.813 33.912 10.605 1.00 59.48 A C\nATOM 2506 C ALA A1013 1.024 32.597 10.556 1.00 67.96 A C\nATOM 2507 O ALA A1013 0.465 32.243 9.508 1.00 66.31 A O\nATOM 2508 CB ALA A1013 3.243 33.702 10.139 1.00 62.75 A C\nATOM 2509 N ASP A1014 0.985 31.884 11.684 1.00 59.70 A N\nATOM 2510 CA ASP A1014 0.200 30.654 11.812 1.00 74.24 A C\nATOM 2511 C ASP A1014 -1.300 30.913 11.667 1.00 74.57 A C\nATOM 2512 O ASP A1014 -2.018 30.130 11.040 1.00 82.55 A O\nATOM 2513 CB ASP A1014 0.476 29.981 13.160 1.00 83.80 A C\nATOM 2514 CG ASP A1014 1.930 29.578 13.328 1.00 86.76 A C\nATOM 2515 OD1 ASP A1014 2.458 29.709 14.454 1.00 96.46 A O\nATOM 2516 OD2 ASP A1014 2.546 29.131 12.339 1.00 92.15 A O\nATOM 2517 N GLU A1015 -1.762 32.013 12.255 1.00 69.63 A N\nATOM 2518 CA GLU A1015 -3.169 32.406 12.205 1.00 84.01 A C\nATOM 2519 C GLU A1015 -3.563 32.965 10.830 1.00 81.26 A C\nATOM 2520 O GLU A1015 -4.711 32.817 10.401 1.00 75.65 A O\nATOM 2521 CB GLU A1015 -3.466 33.432 13.304 1.00 89.15 A C\nATOM 2522 CG GLU A1015 -4.941 33.592 13.645 1.00106.04 A C\nATOM 2523 CD GLU A1015 -5.193 34.639 14.717 1.00119.25 A C\nATOM 2524 OE1 GLU A1015 -4.251 34.982 15.465 1.00124.44 A O\nATOM 2525 OE2 GLU A1015 -6.342 35.119 14.814 1.00124.84 A O\nATOM 2526 N TYR A1016 -2.609 33.605 10.154 1.00 71.06 A N\nATOM 2527 CA TYR A1016 -2.825 34.180 8.825 1.00 72.33 A C\nATOM 2528 C TYR A1016 -2.791 33.132 7.709 1.00 74.97 A C\nATOM 2529 O TYR A1016 -3.570 33.223 6.756 1.00 81.17 A O\nATOM 2530 CB TYR A1016 -1.810 35.297 8.549 1.00 84.93 A C\nATOM 2531 CG TYR A1016 -1.665 35.681 7.088 1.00 86.99 A C\nATOM 2532 CD1 TYR A1016 -0.805 34.974 6.243 1.00 91.38 A C\nATOM 2533 CD2 TYR A1016 -2.379 36.754 6.552 1.00 79.32 A C\nATOM 2534 CE1 TYR A1016 -0.668 35.316 4.908 1.00 95.57 A C\nATOM 2535 CE2 TYR A1016 -2.244 37.108 5.217 1.00 82.46 A C\nATOM 2536 CZ TYR A1016 -1.387 36.385 4.400 1.00 97.13 A C\nATOM 2537 OH TYR A1016 -1.236 36.717 3.072 1.00 93.34 A O\nATOM 2538 N LEU A1017 -1.889 32.157 7.823 1.00 79.31 A N\nATOM 2539 CA LEU A1017 -1.752 31.089 6.826 1.00 78.37 A C\nATOM 2540 C LEU A1017 -2.418 29.794 7.290 1.00 79.78 A C\nATOM 2541 O LEU A1017 -3.584 29.532 6.982 1.00 86.61 A O\nATOM 2542 CB LEU A1017 -0.272 30.850 6.492 1.00 96.14 A C\nATOM 2543 CG LEU A1017 0.143 29.601 5.697 1.00116.26 A C\nATOM 2544 CD1 LEU A1017 -0.313 29.652 4.243 1.00121.68 A C\nATOM 2545 CD2 LEU A1017 1.648 29.383 5.783 1.00110.27 A C\nEND\n",
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+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_15\nREMARK 2 A between atoms: N_4 and C_19\nREMARK 3 A between atoms: C_19 and C_20\nREMARK 4 A between atoms: C_20 and C_21\nREMARK 5 A between atoms: C_23 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.001 33.103 11.028 0.00 0.00 -0.319 N \nATOM 2 C UNL 1 18.461 33.249 11.004 0.00 0.00 +0.156 C \nATOM 3 C UNL 1 19.086 32.440 12.157 0.00 0.00 +0.150 C \nATOM 4 N UNL 1 18.445 32.796 13.512 0.00 0.00 +0.238 N \nATOM 5 C UNL 1 16.918 32.631 13.439 0.00 0.00 +0.150 C \nATOM 6 C UNL 1 16.323 33.452 12.277 0.00 0.00 +0.156 C \nATOM 7 H UNL 1 18.643 33.790 13.681 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 15\nATOM 8 C UNL 1 16.161 29.981 5.315 0.00 0.00 +0.065 C \nATOM 9 C UNL 1 16.244 30.858 6.528 0.00 0.00 +0.039 C \nATOM 10 N UNL 1 15.665 32.079 6.452 0.00 0.00 -0.252 NA\nATOM 11 C UNL 1 15.710 32.891 7.521 0.00 0.00 +0.073 C \nATOM 12 C UNL 1 16.345 32.535 8.732 0.00 0.00 +0.021 C \nATOM 13 C UNL 1 16.934 31.256 8.775 0.00 0.00 +0.013 C \nATOM 14 C UNL 1 16.886 30.412 7.671 0.00 0.00 +0.024 C \nATOM 15 C UNL 1 16.352 33.443 9.831 0.00 0.00 +0.039 C \nATOM 16 C UNL 1 15.722 34.686 9.691 0.00 0.00 +0.024 C \nATOM 17 C UNL 1 15.097 35.030 8.497 0.00 0.00 +0.004 C \nATOM 18 C UNL 1 15.100 34.132 7.430 0.00 0.00 +0.028 C \nENDBRANCH 1 15\nBRANCH 4 19\nATOM 19 C UNL 1 19.079 31.973 14.619 0.00 0.00 +0.136 C \nBRANCH 19 20\nATOM 20 C UNL 1 19.973 32.818 15.532 0.00 0.00 +0.086 C \nBRANCH 20 21\nATOM 21 C UNL 1 21.094 33.454 14.746 0.00 0.00 -0.041 C \nATOM 22 C UNL 1 22.227 32.709 14.370 0.00 0.00 +0.027 C \nATOM 23 C UNL 1 23.294 33.298 13.667 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 23.193 34.657 13.349 0.00 0.00 +0.023 C \nATOM 25 C UNL 1 22.067 35.403 13.704 0.00 0.00 +0.002 C \nATOM 26 C UNL 1 21.020 34.806 14.394 0.00 0.00 +0.004 C \nBRANCH 23 27\nATOM 27 N UNL 1 24.424 32.530 13.283 0.00 0.00 -0.254 N \nATOM 28 C UNL 1 24.409 31.566 12.202 0.00 0.00 +0.134 C \nATOM 29 C UNL 1 25.865 31.159 12.020 0.00 0.00 +0.125 C \nATOM 30 N UNL 1 26.514 31.679 13.181 0.00 0.00 -0.297 N \nATOM 31 C UNL 1 25.694 32.540 13.894 0.00 0.00 +0.307 C \nATOM 32 O UNL 1 26.084 33.149 14.876 0.00 0.00 -0.252 OA\nATOM 33 H UNL 1 27.486 31.564 13.441 0.00 0.00 +0.150 HD\nENDBRANCH 23 27\nENDBRANCH 20 21\nENDBRANCH 19 20\nENDBRANCH 4 19\nTORSDOF 5\n",
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+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.312 33.342 13.260 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 20.080 34.121 13.749 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 19.514 33.503 14.966 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 20.485 33.318 16.071 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 21.720 32.538 15.595 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 22.318 33.199 14.376 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 18.316 34.010 15.373 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 18.154 34.897 16.326 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 16.802 35.114 16.409 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 16.090 35.977 17.254 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 14.693 36.016 17.154 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 14.022 35.211 16.232 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 14.717 34.344 15.383 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 16.113 34.322 15.497 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 17.105 33.613 14.849 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 23.129 32.659 14.050 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 22.665 34.131 14.637 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 16.874 32.523 13.911 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 16.848 32.944 12.459 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 15.934 33.883 11.953 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 15.923 34.208 10.594 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 16.809 33.586 9.718 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 17.704 32.634 10.198 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 17.721 32.311 11.556 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
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+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.158 33.771 13.658 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 18.576 34.433 13.108 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 18.921 33.660 17.516 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 19.357 33.202 16.123 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 18.827 34.192 15.082 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 17.344 34.463 15.231 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 16.695 34.267 16.450 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 17.394 33.677 17.647 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 15.333 34.567 16.504 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 14.682 35.052 15.372 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 15.412 35.208 14.206 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 16.730 34.919 14.103 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 20.590 33.985 13.244 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 21.233 32.637 12.883 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 22.517 32.371 13.681 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 23.675 31.993 12.757 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 23.752 30.520 12.618 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 23.922 30.042 13.514 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 24.527 30.251 11.994 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 22.897 30.117 12.207 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 18.558 32.452 13.211 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 17.955 32.552 11.846 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 18.115 31.684 10.861 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 17.375 32.181 9.811 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 17.179 31.662 8.523 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 16.365 32.372 7.632 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 15.765 33.574 8.013 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 15.951 34.108 9.293 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 16.763 33.378 10.162 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 17.151 33.599 11.459 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 16.880 34.402 12.013 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
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+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.106 34.638 14.184 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 16.823 34.771 12.877 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 16.760 33.660 12.125 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 16.926 32.426 12.621 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 17.176 32.322 13.936 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 17.284 33.403 14.769 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 16.545 33.887 10.768 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 16.458 34.881 10.619 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.483 33.062 9.641 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 17.329 31.969 9.427 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 17.239 31.196 8.262 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.297 31.509 7.281 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 15.442 32.594 7.477 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 15.537 33.358 8.646 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 16.212 30.727 6.083 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 16.140 30.091 5.115 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.212 35.819 14.921 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.034 36.636 14.349 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 20.082 37.023 19.735 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 19.329 36.727 18.472 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 17.948 36.518 18.494 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 17.244 36.210 17.319 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 17.940 36.070 16.099 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 19.329 36.324 16.064 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 20.011 36.618 17.257 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 20.122 36.272 14.784 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 15.755 35.998 17.388 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
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+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.804 33.344 11.470 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 18.150 33.235 11.579 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 18.652 33.097 12.839 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 20.012 33.004 13.112 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 20.519 32.874 14.348 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 19.646 32.851 15.349 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 18.328 32.938 15.210 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 17.843 33.060 13.978 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 16.514 33.151 13.848 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 15.988 33.276 12.611 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 14.607 33.375 12.576 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 20.140 32.722 16.614 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 14.187 33.295 13.495 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 14.127 32.922 11.809 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 21.134 32.637 16.730 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 19.485 32.679 17.375 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 15.339 33.807 7.460 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.906 32.602 7.866 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 16.388 32.460 9.170 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.302 33.514 10.097 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 15.739 34.727 9.659 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 15.260 34.871 8.354 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 20.938 32.975 12.074 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 20.666 33.432 11.212 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 21.908 32.961 12.356 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
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+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.974 33.882 14.956 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.619 33.204 15.922 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 20.611 33.827 16.579 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 20.962 35.099 16.348 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 20.279 35.761 15.399 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 19.273 35.195 14.663 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.283 33.033 17.505 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.860 32.117 17.509 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.390 33.232 18.335 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 23.709 33.303 17.875 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 24.781 33.473 18.760 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 24.551 33.573 20.133 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 23.243 33.507 20.612 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 22.177 33.340 19.719 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 25.648 33.735 21.041 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 26.539 33.865 21.774 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.983 33.184 14.263 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.874 32.240 14.612 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 15.859 33.890 8.985 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 16.407 33.688 10.367 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 15.684 34.095 11.491 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 16.207 33.934 12.784 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 17.498 33.392 12.957 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 18.214 32.938 11.828 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 17.672 33.121 10.544 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 19.561 32.275 11.945 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 15.392 34.383 13.967 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
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+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.514 33.627 11.808 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 15.516 33.960 12.662 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 15.821 33.952 13.990 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 14.896 34.243 14.986 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 15.182 34.232 16.298 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 16.427 33.909 16.633 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 17.391 33.608 15.770 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 17.091 33.628 14.475 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 18.068 33.319 13.615 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 17.798 33.330 12.291 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 18.866 32.987 11.479 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 16.738 33.890 17.960 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 19.716 32.817 12.005 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 18.959 33.478 10.599 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 16.022 34.134 18.621 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 17.683 33.670 18.221 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 15.427 33.652 7.653 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.377 34.826 8.399 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.725 34.810 9.753 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.140 33.624 10.384 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 16.167 32.448 9.613 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 15.817 32.462 8.260 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 13.603 34.634 14.655 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 13.244 34.301 13.767 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 12.977 34.773 15.434 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
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+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.947 34.559 14.078 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 16.785 34.772 12.760 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 16.611 33.705 11.965 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 16.543 32.449 12.423 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 16.672 32.272 13.749 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 16.886 33.300 14.628 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 16.559 33.999 10.605 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 16.651 34.997 10.485 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.467 33.223 9.445 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 15.628 33.525 8.369 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 15.552 32.690 7.247 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.317 31.524 7.186 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 17.161 31.204 8.249 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 17.232 32.048 9.364 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 16.233 30.663 6.044 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 16.170 29.965 5.118 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.192 35.691 14.860 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.162 36.530 14.292 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 20.147 35.731 14.658 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 19.389 35.893 15.951 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 20.129 36.138 17.122 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 19.501 36.377 18.348 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 18.106 36.315 18.409 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 17.342 36.054 17.257 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.982 35.818 16.021 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.839 36.036 17.362 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 20.344 36.707 19.505 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 21.446 36.018 19.834 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 22.166 36.275 21.148 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 22.763 36.487 22.237 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
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+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.216 34.047 16.436 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.961 33.288 17.258 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 21.034 33.850 17.837 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 21.369 35.137 17.673 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 20.584 35.878 16.875 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 19.491 35.377 16.218 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.814 32.973 18.587 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 21.391 32.057 18.556 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 23.021 33.096 19.281 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 24.278 32.907 18.699 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 25.453 33.009 19.455 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 25.390 33.297 20.819 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 24.145 33.489 21.419 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 22.977 33.389 20.655 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 26.590 33.391 21.595 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 27.562 33.463 22.226 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 18.149 33.406 15.801 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 18.077 32.443 16.111 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 19.634 32.564 13.381 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 18.266 33.195 13.352 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 17.633 33.338 12.104 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 16.333 33.842 11.997 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 15.679 34.260 13.159 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 16.296 34.146 14.418 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.606 33.632 14.520 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.538 34.573 15.648 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 15.713 33.880 10.666 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 16.199 33.215 9.607 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.639 33.448 8.213 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 15.175 33.640 7.057 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
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+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 20.228 33.394 13.367 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 19.740 34.263 13.072 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 21.371 32.953 17.035 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 21.045 32.519 15.604 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 20.637 33.750 14.789 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 19.563 34.573 15.468 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 19.377 34.519 16.849 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 20.148 33.566 17.725 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 18.382 35.332 17.393 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 17.631 36.161 16.564 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 17.887 36.142 15.203 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 18.833 35.362 14.629 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 21.368 33.176 12.408 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 22.615 33.922 12.905 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 23.809 32.983 13.126 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 23.900 31.933 12.018 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 23.828 30.573 12.604 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 24.598 30.379 13.259 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 23.885 29.854 11.867 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 22.943 30.405 13.103 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 19.094 32.395 13.244 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 18.312 32.596 11.986 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 17.497 33.607 11.733 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 17.011 33.377 10.465 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 16.119 34.134 9.692 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 15.785 33.674 8.412 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 16.325 32.486 7.915 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 17.215 31.718 8.672 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 17.534 32.200 9.943 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 18.354 31.716 10.930 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.885 30.857 10.868 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
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+ "ext": "pdbqt"
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+ "reconstruc_color_scheme": false,
+ "target": "Stage",
+ "type": "call_method"
+ },
+ {
+ "args": [
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+ ],
+ "component_index": 17,
+ "kwargs": {
+ "backgroundColor": "black",
+ "labelText": [
+ "-7.9 kcal/mol"
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+ "labelType": "text",
+ "sele": "@0",
+ "showBackground": true
+ },
+ "methodName": "addRepresentation",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
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+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.212 33.309 11.516 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 18.526 33.004 11.643 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 19.025 32.971 12.911 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 20.358 32.702 13.198 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 20.864 32.672 14.441 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 20.018 32.931 15.433 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 18.728 33.206 15.279 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 18.243 33.226 14.041 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 16.944 33.507 13.895 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 16.418 33.536 12.652 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 15.070 33.847 12.599 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 20.511 32.908 16.704 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 14.661 33.967 13.519 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 14.509 33.371 11.904 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 21.482 32.684 16.835 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 19.874 33.079 17.462 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 15.757 33.489 7.479 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.483 34.522 8.371 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.953 34.453 9.686 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.715 33.359 10.131 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 16.966 32.321 9.216 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 16.493 32.386 7.902 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 21.247 32.378 12.178 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 21.033 32.745 11.258 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 22.208 32.251 12.462 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
+ "type": "blob"
+ }
+ ],
+ "kwargs": {
+ "defaultRepresentation": true,
+ "ext": "pdbqt"
+ },
+ "methodName": "loadFile",
+ "reconstruc_color_scheme": false,
+ "target": "Stage",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ "label"
+ ],
+ "component_index": 18,
+ "kwargs": {
+ "backgroundColor": "black",
+ "labelText": [
+ "-7.9 kcal/mol"
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+ "labelType": "text",
+ "sele": "@0",
+ "showBackground": true
+ },
+ "methodName": "addRepresentation",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ {
+ "binary": false,
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.227 34.118 15.730 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.777 33.409 16.732 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 20.867 33.908 17.335 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 21.402 35.096 17.022 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 20.808 35.797 16.042 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 19.714 35.347 15.351 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.440 33.068 18.286 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.890 32.224 18.344 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.587 33.140 19.082 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 22.566 33.364 20.461 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 23.752 33.462 21.202 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 24.989 33.342 20.567 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 25.032 33.118 19.191 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 23.841 33.018 18.461 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 26.203 33.452 21.320 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 27.184 33.545 21.932 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 18.136 33.530 15.085 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.896 32.647 15.524 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 19.925 32.528 12.948 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 18.554 33.101 12.697 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 18.073 33.105 11.376 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 16.782 33.547 11.069 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 15.981 34.044 12.100 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 16.444 34.069 13.428 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.746 33.617 13.733 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.532 34.578 14.514 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 16.327 33.439 9.677 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 15.962 32.281 9.107 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.692 32.194 7.614 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 15.469 32.121 6.376 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
+ "type": "blob"
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+ "ext": "pdbqt"
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+ "reconstruc_color_scheme": false,
+ "target": "Stage",
"type": "call_method"
},
{
@@ -11757,7 +14420,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-9.2 kcal/mol"
+ "-7.9 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -11772,7 +14435,7 @@
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.429 36.633 15.762 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 20.411 36.390 17.279 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 19.066 36.792 17.873 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.925 35.930 17.292 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 16.548 36.576 17.697 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 15.437 35.961 16.929 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 14.081 35.886 17.134 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.536 35.190 16.073 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.527 34.816 15.192 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.492 34.108 13.989 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.719 33.901 13.338 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 16.925 34.386 13.861 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.942 35.103 15.063 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 15.715 35.297 15.713 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 18.100 35.699 15.770 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 19.212 36.046 15.093 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 19.126 36.761 19.376 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 18.883 37.761 17.582 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 12.553 34.983 15.954 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 21.550 35.126 14.184 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 21.723 36.031 15.208 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 22.824 36.370 15.628 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 20.627 34.942 13.811 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 22.683 34.456 13.535 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 21.688 32.526 14.914 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 22.530 32.934 13.717 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 22.783 34.895 12.062 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 22.759 36.308 11.920 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 21.883 36.623 12.203 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.262 33.314 17.138 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 19.456 32.868 15.908 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 19.823 33.667 14.719 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 21.272 33.684 14.413 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 22.090 34.131 15.635 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 21.741 33.284 16.835 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 19.037 33.472 13.623 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 19.335 32.701 12.605 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 18.280 32.806 11.734 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 18.082 32.179 10.496 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 16.911 32.456 9.779 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 15.959 33.342 10.286 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 16.141 33.978 11.518 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 17.317 33.684 12.220 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 17.828 34.108 13.431 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 22.273 33.604 17.653 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 22.027 32.312 16.653 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 17.260 35.168 14.251 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 16.107 34.730 15.127 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 14.769 34.761 14.699 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 13.736 34.384 15.561 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 14.021 33.990 16.866 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 15.338 33.978 17.313 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 16.374 34.349 16.454 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
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@@ -11793,7 +14456,7 @@
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- "-9.0 kcal/mol"
+ "-7.9 kcal/mol"
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@@ -11808,7 +14471,7 @@
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.077 32.743 11.774 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.439 33.874 12.593 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.756 33.712 14.075 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.276 33.810 14.330 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 17.572 33.340 15.802 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 19.029 33.137 16.001 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.828 33.093 17.118 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 21.124 32.866 16.696 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 21.164 32.767 15.322 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 22.216 32.547 14.430 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.892 32.505 13.064 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 20.576 32.668 12.610 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 19.532 32.877 13.518 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.863 32.929 14.880 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 18.088 33.064 13.242 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.534 32.564 12.120 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 14.954 34.687 14.894 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 15.472 32.762 14.345 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 21.929 32.782 17.302 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.759 31.981 9.464 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 15.887 33.074 10.292 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 15.814 34.232 9.894 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 15.738 31.045 9.849 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.566 32.117 8.016 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 17.355 30.727 6.798 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 16.942 32.091 7.326 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 14.600 31.029 7.507 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 13.857 30.435 8.562 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 14.480 29.952 9.133 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.435 33.754 16.747 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 15.938 34.059 16.642 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 16.259 34.684 15.341 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 15.460 35.890 15.024 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 13.955 35.598 15.124 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 13.627 34.998 16.470 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 17.589 34.826 15.077 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 18.278 35.930 15.236 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 19.559 35.631 14.847 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 20.698 36.448 14.830 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 21.908 35.909 14.374 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 21.980 34.584 13.943 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 20.853 33.755 13.952 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 19.654 34.313 14.414 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 18.374 33.817 14.561 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 12.624 34.784 16.521 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 13.821 35.695 17.203 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 17.923 32.517 14.084 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 17.395 32.520 12.667 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 16.036 32.698 12.360 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 15.591 32.652 11.036 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 16.492 32.409 10.003 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 17.838 32.205 10.291 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 18.287 32.256 11.612 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
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@@ -11829,7 +14492,7 @@
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@@ -11844,7 +14507,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.486 32.683 10.674 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 17.482 32.566 11.632 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 18.769 31.814 11.516 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 19.906 32.530 12.238 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 19.828 32.418 13.681 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 18.888 32.919 14.542 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 19.107 32.842 15.750 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 17.628 33.541 14.068 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 17.073 33.308 12.787 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 15.839 33.886 12.476 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 15.135 34.699 13.369 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 15.706 34.915 14.619 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 16.920 34.350 14.976 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 15.057 35.685 15.503 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 15.507 33.487 11.204 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 20.626 32.031 14.173 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 14.656 33.753 10.729 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 16.161 30.958 6.782 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 15.011 31.270 7.522 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 15.120 31.842 8.792 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 16.377 32.114 9.340 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 17.525 31.815 8.603 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 17.420 31.245 7.330 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 16.045 30.366 5.406 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 16.111 27.934 5.985 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 15.319 29.065 5.449 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 14.465 29.189 6.009 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 14.992 28.843 4.499 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.437 33.595 14.890 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 19.238 33.707 15.904 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 16.403 33.478 12.496 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 17.833 33.801 12.936 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 18.057 33.254 14.349 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 16.978 33.681 15.321 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 15.708 34.049 14.873 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 15.373 34.151 13.408 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 14.767 34.402 15.841 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 15.110 34.367 17.190 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 16.397 33.992 17.536 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 17.347 33.653 16.633 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 20.466 32.503 14.756 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 21.417 32.825 13.594 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 22.873 32.456 13.910 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 23.618 32.013 12.651 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 23.714 30.535 12.614 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 24.232 30.148 13.415 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 24.212 30.221 11.768 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 22.790 30.079 12.592 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 19.943 34.987 14.562 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 20.071 35.833 15.788 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 21.205 36.208 16.357 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 20.835 36.973 17.441 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 21.630 37.632 18.390 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 20.996 38.357 19.407 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 19.603 38.421 19.479 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 18.795 37.769 18.541 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 19.452 37.056 17.537 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 18.985 36.319 16.479 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.006 36.170 16.266 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
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@@ -11865,7 +14528,7 @@
"kwargs": {
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"labelText": [
- "-9.0 kcal/mol"
+ "-7.8 kcal/mol"
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@@ -11880,7 +14543,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.701 32.789 12.182 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 14.901 33.908 12.875 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.049 33.804 14.383 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 16.502 33.995 14.823 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 16.901 35.500 15.024 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 18.354 35.569 15.359 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.133 36.499 16.005 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 20.427 36.013 16.033 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 20.491 34.776 15.421 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 21.535 33.873 15.192 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.224 32.685 14.506 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 19.927 32.403 14.061 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 18.894 33.311 14.301 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.205 34.498 14.989 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.475 33.239 13.893 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.107 32.679 12.726 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 21.555 36.705 16.615 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 14.049 34.635 15.126 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 14.838 32.828 14.626 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.661 32.002 9.861 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 15.735 33.103 10.684 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 15.807 34.253 10.262 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 15.542 31.074 10.249 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.725 32.128 8.400 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 17.369 30.754 6.977 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 17.179 31.917 7.939 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 14.728 31.169 7.720 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 13.904 30.503 8.669 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 14.473 29.905 9.185 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.318 33.987 15.501 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 17.443 33.386 14.830 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 17.598 33.236 13.474 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 18.827 32.597 13.349 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 19.368 32.250 12.162 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 18.610 32.576 11.088 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 17.364 33.218 11.105 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 16.831 33.567 12.353 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 19.402 32.373 14.568 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 18.555 32.854 15.442 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 18.720 32.847 16.769 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 19.570 32.435 17.141 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 18.072 33.217 17.450 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.639 33.510 9.862 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 15.857 34.671 9.739 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 15.168 34.952 8.555 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.249 34.073 7.477 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 16.017 32.917 7.580 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 16.708 32.639 8.762 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
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@@ -11901,7 +14564,7 @@
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"backgroundColor": "black",
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@@ -11916,7 +14579,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.168 33.431 12.866 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 18.324 33.362 13.631 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 19.711 33.076 13.155 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 20.751 33.876 13.935 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 20.974 33.370 15.275 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 20.116 33.330 16.343 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 20.570 33.005 17.440 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 18.677 33.660 16.218 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 17.967 33.621 14.994 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 16.592 33.875 15.007 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 15.889 34.183 16.176 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 16.612 34.219 17.364 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 17.972 33.959 17.400 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 15.969 34.505 18.504 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 16.138 33.747 13.717 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 21.919 33.117 15.538 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 15.175 33.868 13.439 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 16.599 32.859 8.674 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 17.325 31.925 9.429 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 17.503 32.111 10.803 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 16.957 33.228 11.442 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 16.223 34.154 10.697 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 16.041 33.971 9.322 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 16.386 32.647 7.201 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 14.520 30.990 7.369 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 15.910 31.262 6.930 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 15.998 31.080 5.922 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 16.554 30.601 7.384 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.710 33.783 15.227 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.449 33.156 16.160 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 20.238 33.902 16.950 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 20.296 35.238 16.880 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 19.524 35.839 15.961 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 18.711 35.154 15.098 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.032 33.174 17.832 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.833 32.193 17.708 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.024 33.515 18.757 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 21.814 34.361 19.851 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 22.855 34.691 20.727 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 24.137 34.178 20.520 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 24.367 33.330 19.438 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 23.319 33.004 18.569 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 25.207 34.524 21.409 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 26.074 34.808 22.127 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.941 32.968 14.394 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 18.037 31.989 14.632 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 15.935 33.826 9.092 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 16.454 33.583 10.479 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 15.661 33.850 11.597 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 16.153 33.653 12.897 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 17.482 33.217 13.086 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 18.273 32.902 11.959 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 17.759 33.120 10.669 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 19.670 32.356 12.086 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 15.262 33.949 14.073 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
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@@ -11937,7 +14600,7 @@
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"labelText": [
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+ "-7.8 kcal/mol"
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@@ -11952,7 +14615,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: N_4 and C_7\nREMARK 3 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.057 32.783 9.806 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 15.935 32.494 10.485 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 15.986 32.392 11.841 0.00 0.00 +0.047 C \nATOM 4 C UNL 1 17.164 32.565 12.581 0.00 0.00 -0.018 C \nATOM 5 C UNL 1 17.170 32.462 14.092 0.00 0.00 +0.037 C \nATOM 6 C UNL 1 16.768 33.747 14.818 0.00 0.00 +0.005 C \nATOM 7 C UNL 1 15.262 34.033 14.882 0.00 0.00 +0.000 C \nATOM 8 C UNL 1 14.652 34.520 13.567 0.00 0.00 +0.000 C \nATOM 9 C UNL 1 13.894 33.450 12.774 0.00 0.00 +0.006 C \nATOM 10 C UNL 1 14.652 32.152 12.500 0.00 0.00 +0.056 C \nATOM 11 C UNL 1 18.336 32.870 11.860 0.00 0.00 -0.010 C \nATOM 12 C UNL 1 18.264 32.970 10.461 0.00 0.00 +0.052 C \nENDROOT\nBRANCH 1 16\nATOM 13 N UNL 1 15.462 30.927 6.914 0.00 0.00 +0.237 N \nATOM 14 C UNL 1 14.746 32.024 7.719 0.00 0.00 +0.150 C \nATOM 15 C UNL 1 15.671 33.252 7.876 0.00 0.00 +0.157 C \nATOM 16 N UNL 1 16.988 32.877 8.415 0.00 0.00 -0.305 N \nATOM 17 C UNL 1 17.696 31.815 7.687 0.00 0.00 +0.157 C \nATOM 18 C UNL 1 16.801 30.558 7.563 0.00 0.00 +0.150 C \nATOM 19 H UNL 1 15.703 31.367 6.017 0.00 0.00 +0.203 HD\nBRANCH 13 21\nATOM 20 C UNL 1 15.206 28.829 5.529 0.00 0.00 +0.060 C \nATOM 21 C UNL 1 14.591 29.749 6.568 0.00 0.00 +0.128 C \nENDBRANCH 13 21\nENDBRANCH 1 16\nBRANCH 11 22\nATOM 22 C UNL 1 19.635 33.114 12.502 0.00 0.00 -0.017 C \nATOM 23 C UNL 1 20.712 32.232 12.300 0.00 0.00 +0.011 C \nATOM 24 C UNL 1 21.948 32.472 12.904 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 22.113 33.594 13.707 0.00 0.00 +0.123 C \nATOM 26 C UNL 1 21.065 34.482 13.918 0.00 0.00 +0.039 C \nATOM 27 C UNL 1 19.829 34.243 13.315 0.00 0.00 +0.011 C \nATOM 28 F UNL 1 23.299 33.823 14.284 0.00 0.00 -0.205 F \nENDBRANCH 11 22\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.004 32.532 11.333 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.143 31.887 10.917 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 19.001 31.729 11.891 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.392 32.291 12.996 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.128 32.811 12.679 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.340 33.442 13.688 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 15.063 34.019 13.496 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 14.383 34.610 14.562 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.966 34.633 15.821 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 16.229 34.068 16.011 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.935 33.473 14.976 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 18.140 32.969 15.269 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.888 32.380 14.313 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 20.121 31.886 14.673 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 20.411 31.988 15.632 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.690 31.445 13.966 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 15.899 32.774 10.425 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.804 33.134 7.942 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.230 33.746 9.278 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 15.573 35.116 9.449 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
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@@ -11973,7 +14636,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.8 kcal/mol"
+ "-7.8 kcal/mol"
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@@ -11988,7 +14651,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.485 33.732 12.812 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 17.638 33.002 11.629 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 18.875 32.426 11.354 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 19.953 32.510 12.171 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 19.789 33.202 13.311 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 18.599 33.816 13.666 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 16.436 32.785 10.352 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 15.199 32.455 11.029 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 16.562 33.955 9.509 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 16.918 31.442 9.504 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 16.382 31.109 8.272 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 15.341 31.570 7.835 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 17.160 30.208 7.603 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 17.811 31.064 9.787 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 18.057 29.970 7.993 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 16.844 29.762 6.257 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 18.121 29.594 5.437 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 16.062 28.453 6.311 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 16.294 34.339 13.269 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 15.938 35.038 12.614 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 17.320 36.645 17.518 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 16.377 35.843 16.671 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.755 35.411 15.392 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 15.896 34.634 14.597 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 14.641 34.296 15.108 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 14.260 34.706 16.388 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 15.125 35.471 17.168 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.634 32.385 9.084 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 16.305 33.350 8.199 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 15.773 34.505 8.655 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 15.508 34.849 9.920 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 15.837 33.882 10.792 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 16.389 32.670 10.416 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 16.560 31.994 11.592 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 16.117 32.800 12.604 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 15.674 33.950 12.151 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 16.941 31.065 11.694 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 17.177 31.196 8.668 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 17.460 30.484 9.320 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 17.377 30.956 7.257 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 14.317 28.232 5.899 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 15.661 27.929 5.686 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 16.653 28.811 6.120 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 16.308 30.007 6.763 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 14.952 30.296 6.980 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 13.961 29.413 6.547 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
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@@ -12009,7 +14672,7 @@
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- "-8.8 kcal/mol"
+ "-7.8 kcal/mol"
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@@ -12024,7 +14687,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.616 33.019 11.775 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 18.368 33.502 13.052 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 17.064 33.977 13.605 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.909 33.610 15.078 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 17.722 34.426 15.959 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 19.085 34.503 16.060 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 19.563 35.145 16.995 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 19.992 33.847 15.089 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 19.600 33.467 13.783 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 20.561 32.926 12.924 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 21.892 32.728 13.304 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 22.249 33.105 14.595 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 21.334 33.659 15.475 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 23.518 32.934 14.991 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 19.944 32.674 11.723 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 17.256 34.930 16.705 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 20.411 32.288 10.915 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 16.072 32.580 8.375 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 16.930 31.540 8.763 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 17.757 31.684 9.880 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 17.734 32.864 10.629 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 16.873 33.898 10.254 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 16.043 33.757 9.138 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 15.165 32.417 7.188 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 13.826 30.305 7.188 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 15.078 30.986 6.781 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 15.189 30.931 5.760 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 15.888 30.488 7.171 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.311 31.601 7.740 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 14.997 31.347 7.917 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 14.452 30.265 7.320 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 15.053 29.362 6.538 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 16.359 29.625 6.367 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 17.002 30.707 6.941 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 18.297 30.601 6.513 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 18.383 29.490 5.720 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 17.226 28.877 5.613 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 19.052 31.231 6.739 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 16.909 32.688 8.325 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 17.895 32.867 8.230 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.117 33.597 9.123 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 17.485 33.384 13.211 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 16.202 33.852 12.931 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 15.758 33.926 11.609 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 16.599 33.541 10.556 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 17.885 33.064 10.850 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 18.326 32.988 12.173 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
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@@ -12045,7 +14708,7 @@
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@@ -12060,7 +14723,7 @@
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.502 33.792 12.141 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 17.564 33.318 13.144 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 17.223 33.651 14.615 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 16.307 34.932 14.688 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.093 35.544 16.112 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 17.396 35.655 16.818 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 17.850 36.442 17.850 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 19.149 36.061 18.127 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 19.530 35.032 17.293 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 20.706 34.289 17.191 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 20.729 33.279 16.216 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 19.635 33.035 15.372 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 18.471 33.810 15.462 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 18.452 34.790 16.465 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 14.975 34.665 13.955 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 15.104 33.698 12.780 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 13.803 34.268 14.812 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 19.733 36.461 18.850 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 14.712 35.566 13.526 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.437 32.884 8.568 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 16.273 33.652 9.700 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 15.828 34.799 9.690 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 16.615 33.061 10.888 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 17.234 32.265 10.839 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 14.697 33.368 6.879 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 16.159 33.511 7.272 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 16.833 31.472 8.536 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 17.550 31.116 7.244 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.861 32.596 9.159 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 15.911 33.554 9.103 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 15.704 34.337 10.184 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 16.335 34.300 11.364 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 17.276 33.343 11.409 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 17.557 32.497 10.350 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 18.558 31.690 10.815 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 18.835 32.069 12.101 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 18.075 33.067 12.488 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 19.009 30.947 10.304 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 17.106 31.776 8.086 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 17.835 31.084 8.103 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.317 31.918 6.883 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 13.848 28.418 6.345 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 13.496 29.379 7.292 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 14.295 30.509 7.472 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 15.459 30.685 6.711 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 15.798 29.715 5.755 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 14.997 28.587 5.574 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
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@@ -12081,7 +14744,7 @@
"kwargs": {
"backgroundColor": "black",
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+ "-7.8 kcal/mol"
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@@ -12096,7 +14759,7 @@
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_4 and N_7\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.772 33.584 11.995 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 17.634 32.479 12.040 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 17.884 31.687 10.979 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 17.260 31.953 9.815 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 16.376 33.018 9.695 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 16.127 33.841 10.795 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 18.293 32.127 13.218 0.00 0.00 -0.342 N \nATOM 8 H UNL 1 17.693 32.024 14.025 0.00 0.00 +0.144 HD\nATOM 9 H UNL 1 18.905 31.336 13.043 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 12\nATOM 10 C UNL 1 15.534 34.542 13.939 0.00 0.00 +0.405 C \nATOM 11 O UNL 1 14.442 34.009 13.823 0.00 0.00 -0.226 OA\nATOM 12 N UNL 1 16.633 34.375 13.150 0.00 0.00 -0.248 N \nATOM 13 H UNL 1 17.444 34.913 13.425 0.00 0.00 +0.158 HD\nBRANCH 10 14\nATOM 14 O UNL 1 15.854 35.416 14.931 0.00 0.00 -0.450 OA\nBRANCH 14 16\nATOM 15 C UNL 1 14.502 35.887 16.844 0.00 0.00 +0.048 C \nATOM 16 C UNL 1 15.537 34.952 16.249 0.00 0.00 +0.230 C \nENDBRANCH 14 16\nENDBRANCH 10 14\nENDBRANCH 1 12\nBRANCH 4 17\nATOM 17 N UNL 1 17.552 31.091 8.796 0.00 0.00 -0.325 N \nATOM 18 H UNL 1 18.208 30.365 9.054 0.00 0.00 +0.148 HD\nBRANCH 17 19\nATOM 19 C UNL 1 17.249 31.311 7.406 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 16.196 30.327 6.949 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 14.838 30.552 7.231 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 13.869 29.638 6.814 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.255 28.495 6.124 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 15.594 28.248 5.842 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 16.565 29.162 6.254 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.324 27.619 5.726 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 17 19\nENDBRANCH 4 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.016 34.649 14.184 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 16.839 34.789 12.858 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 16.693 33.677 12.120 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 16.667 32.445 12.643 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 16.809 32.340 13.974 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 16.999 33.418 14.798 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 16.622 33.899 10.747 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 16.683 34.892 10.576 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.547 33.062 9.629 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 17.346 31.930 9.448 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 17.250 31.149 8.289 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.349 31.494 7.281 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 15.542 32.620 7.442 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 15.643 33.392 8.605 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 16.257 30.702 6.090 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 16.184 30.057 5.128 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.233 35.826 14.905 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.173 36.634 14.295 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 15.958 36.246 17.545 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 17.449 36.188 17.330 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 18.281 36.279 18.460 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 19.670 36.156 18.356 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 20.236 35.993 17.089 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 19.428 35.917 15.940 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 18.026 36.037 16.051 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 20.078 35.701 14.598 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 20.462 36.179 19.593 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 21.800 36.098 19.614 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 22.553 35.924 20.924 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 23.178 35.780 22.008 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
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@@ -12117,7 +14780,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.7 kcal/mol"
+ "-7.8 kcal/mol"
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"sele": "@0",
@@ -12132,7 +14795,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 23.113 35.384 19.538 0.00 0.00 +0.237 N \nATOM 2 C UNL 1 23.368 35.407 18.023 0.00 0.00 +0.150 C \nATOM 3 C UNL 1 22.431 36.433 17.345 0.00 0.00 +0.157 C \nATOM 4 N UNL 1 21.024 36.210 17.711 0.00 0.00 -0.305 N \nATOM 5 C UNL 1 20.740 36.159 19.152 0.00 0.00 +0.157 C \nATOM 6 C UNL 1 21.636 35.100 19.840 0.00 0.00 +0.150 C \nATOM 7 C UNL 1 20.353 35.254 16.946 0.00 0.00 +0.122 C \nATOM 8 N UNL 1 21.071 34.276 16.371 0.00 0.00 -0.237 NA\nATOM 9 C UNL 1 20.432 33.332 15.627 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 19.045 33.318 15.431 0.00 0.00 -0.018 C \nATOM 11 C UNL 1 18.378 32.258 14.577 0.00 0.00 +0.037 C \nATOM 12 C UNL 1 18.381 32.556 13.077 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.696 32.267 12.343 0.00 0.00 +0.000 C \nATOM 14 C UNL 1 20.807 33.284 12.603 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 21.869 32.835 13.613 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 21.348 32.338 14.959 0.00 0.00 +0.056 C \nATOM 17 C UNL 1 18.300 34.350 16.036 0.00 0.00 -0.010 C \nATOM 18 C UNL 1 18.976 35.313 16.802 0.00 0.00 +0.052 C \nATOM 19 H UNL 1 23.277 36.349 19.853 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 17 20\nATOM 20 C UNL 1 16.844 34.484 15.889 0.00 0.00 -0.017 C \nATOM 21 C UNL 1 16.290 35.064 14.734 0.00 0.00 +0.011 C \nATOM 22 C UNL 1 14.906 35.181 14.593 0.00 0.00 +0.039 C \nATOM 23 C UNL 1 14.071 34.714 15.602 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 14.595 34.133 16.750 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 15.979 34.017 16.893 0.00 0.00 +0.011 C \nATOM 26 F UNL 1 12.744 34.825 15.464 0.00 0.00 -0.205 F \nENDBRANCH 17 20\nBRANCH 1 28\nATOM 27 C UNL 1 23.460 33.268 20.874 0.00 0.00 +0.060 C \nATOM 28 C UNL 1 24.082 34.533 20.314 0.00 0.00 +0.128 C \nENDBRANCH 1 28\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 22.790 32.916 15.381 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 21.399 32.590 14.816 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 21.119 33.394 13.607 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 22.148 33.290 12.547 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 23.544 33.615 13.099 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 23.841 32.761 14.308 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 19.842 33.312 13.138 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 19.449 32.555 12.142 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 18.104 32.787 12.003 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 17.193 32.226 11.097 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 15.855 32.636 11.146 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 15.434 33.586 12.078 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 16.330 34.157 12.988 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 17.663 33.731 12.923 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 18.798 34.063 13.636 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 24.766 33.001 14.685 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 23.882 31.774 14.018 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 18.885 35.141 14.611 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 17.987 34.967 15.816 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 17.906 33.766 16.540 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 17.030 33.643 17.621 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 16.209 34.708 17.983 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 16.258 35.896 17.260 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 17.136 36.025 16.183 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
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@@ -12153,7 +14816,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.8 kcal/mol"
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@@ -12168,7 +14831,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.781 33.641 12.059 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 17.930 32.846 11.987 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 18.095 32.010 10.887 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 17.218 31.922 9.858 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 16.126 32.700 9.932 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 15.871 33.557 10.991 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 19.201 32.703 13.206 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 19.481 34.056 13.640 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 18.736 31.683 14.121 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 20.539 32.148 12.397 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 21.731 32.852 12.360 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 21.834 34.033 12.648 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 22.777 32.065 11.971 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 20.529 31.158 12.196 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 22.617 31.078 11.863 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 24.142 32.560 11.928 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 24.849 32.291 13.254 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 24.897 31.909 10.773 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 16.477 34.576 13.074 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 17.210 35.278 13.187 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 16.654 34.176 17.996 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 15.857 34.259 16.728 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.498 34.331 15.483 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 15.767 34.380 14.284 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 14.373 34.357 14.354 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 13.723 34.268 15.588 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 14.461 34.214 16.768 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.045 33.293 17.066 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 17.696 33.755 16.861 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 17.022 33.801 15.666 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 15.781 34.330 16.005 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 14.797 34.552 15.108 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 15.116 34.215 13.837 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 16.332 33.678 13.391 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 17.332 33.457 14.348 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 15.695 34.589 17.344 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 16.855 34.237 17.838 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 17.208 34.321 19.125 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 16.527 34.688 19.783 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 18.100 34.050 19.514 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.553 33.361 11.975 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 17.460 32.359 11.593 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 17.670 32.055 10.245 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 16.978 32.752 9.257 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 16.076 33.750 9.615 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.865 34.051 10.963 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
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"backgroundColor": "black",
"labelText": [
- "-8.6 kcal/mol"
+ "-7.7 kcal/mol"
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@@ -12204,7 +14867,7 @@
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.845 34.680 15.880 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 19.180 34.420 17.375 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 17.940 34.299 18.289 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 16.653 34.912 17.741 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 16.321 34.332 16.393 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 17.534 33.894 15.607 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.250 33.776 14.174 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 16.057 33.946 13.536 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 14.857 34.398 14.291 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 15.295 35.144 15.585 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 16.292 33.593 12.185 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 15.456 33.501 11.053 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 15.992 33.102 9.827 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 17.344 32.801 9.714 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 18.201 32.893 10.815 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 17.668 33.292 12.053 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 18.272 33.525 13.288 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 19.610 33.569 13.725 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 19.926 34.091 14.944 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 15.832 33.448 16.586 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 20.111 36.929 15.234 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 18.822 36.229 15.656 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 20.755 33.197 12.869 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 20.961 32.070 12.457 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 21.483 34.313 12.619 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 22.902 34.115 12.512 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 23.534 34.134 13.891 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.974 33.853 14.965 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 18.692 35.002 14.960 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 20.042 34.878 14.820 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 20.912 35.962 14.825 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 22.244 35.852 14.695 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 22.730 34.622 14.567 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 21.997 33.514 14.554 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 20.680 33.642 14.679 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 19.951 32.520 14.668 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 18.610 32.613 14.794 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 17.941 31.400 14.784 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 24.080 34.488 14.435 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 18.563 30.613 14.638 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 17.042 31.368 14.320 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 24.643 35.320 14.426 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 24.454 33.563 14.314 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 13.746 34.368 15.515 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 14.588 34.251 16.617 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.963 34.076 16.431 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.523 34.026 15.142 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 15.649 34.131 14.045 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 14.274 34.303 14.229 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 20.419 37.260 14.905 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 19.526 37.377 15.369 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 21.117 37.988 14.960 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
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@@ -12225,7 +14888,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.7 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12240,7 +14903,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.337 33.119 13.481 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.275 34.174 13.843 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 14.911 34.070 15.314 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 16.112 34.358 16.217 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 16.315 35.886 16.516 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.561 36.054 17.321 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 18.010 37.031 18.177 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 19.248 36.636 18.649 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 19.599 35.412 18.116 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 20.719 34.586 18.269 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 20.740 33.384 17.538 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 19.693 33.016 16.685 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 18.581 33.847 16.546 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 18.558 35.047 17.280 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.391 33.680 15.684 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.479 33.103 14.470 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 20.062 37.402 19.567 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 13.664 34.823 15.661 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 14.697 33.080 15.488 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.880 33.796 11.170 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 16.854 33.446 12.078 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 18.049 33.410 11.800 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 14.911 33.871 11.455 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 16.206 34.097 9.771 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 17.114 31.967 8.651 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 15.909 32.858 8.906 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 15.465 35.362 9.292 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 14.910 35.190 7.994 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 15.650 35.113 7.366 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.562 34.166 14.178 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 17.598 33.751 13.410 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 17.282 33.217 12.196 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 18.232 32.722 11.310 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 17.934 32.189 10.115 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 16.646 32.133 9.793 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 15.653 32.569 10.560 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 15.967 33.099 11.738 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 14.959 33.531 12.504 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 15.242 34.075 13.707 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 14.136 34.483 14.434 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 16.321 31.593 8.584 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 13.267 34.349 13.929 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 14.225 35.329 14.982 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 17.065 31.277 7.988 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 15.351 31.569 8.323 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 17.670 35.796 17.994 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 17.940 36.500 16.824 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 17.583 35.961 15.585 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.940 34.714 15.491 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 16.693 34.014 16.685 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 17.052 34.551 17.925 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 19.588 32.819 11.606 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 19.836 32.847 12.588 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 20.211 32.387 10.939 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
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@@ -12261,7 +14924,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.6 kcal/mol"
+ "-7.7 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12276,7 +14939,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.594 32.825 12.231 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.755 34.032 12.693 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.659 34.056 14.209 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.033 34.228 14.860 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 17.474 35.728 15.001 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 18.857 35.769 15.559 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.573 36.722 16.244 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 20.819 36.190 16.519 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 20.913 34.902 16.028 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 21.932 33.943 16.044 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.671 32.712 15.415 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 20.446 32.443 14.791 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 19.438 33.408 14.787 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.699 34.637 15.419 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 18.099 33.356 14.163 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.890 32.709 13.001 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 21.877 36.887 17.218 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 14.600 34.987 14.711 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 15.362 33.114 14.493 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.761 33.148 9.949 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 16.880 33.005 10.738 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 18.023 33.033 10.293 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 14.837 33.178 10.363 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.860 33.285 8.491 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 16.358 31.358 6.862 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 15.365 31.988 7.827 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 15.109 34.541 8.004 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 15.203 35.609 8.938 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 14.709 35.348 9.735 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.676 33.168 13.558 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 19.143 34.060 13.573 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 22.778 32.890 15.850 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 21.554 32.393 15.077 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 20.942 33.564 14.302 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 20.698 34.779 15.171 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 21.419 34.980 16.349 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 22.392 33.959 16.878 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 21.147 36.141 17.074 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 20.198 37.046 16.607 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 19.531 36.757 15.429 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 19.751 35.638 14.699 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 19.872 32.790 12.113 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 18.741 31.854 11.663 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 17.916 32.446 10.511 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 16.429 32.495 10.864 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 16.052 33.869 11.272 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 16.563 34.193 12.104 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 15.050 33.918 11.509 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 16.205 34.559 10.523 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 18.721 32.272 14.324 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 17.583 33.047 14.909 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 16.457 33.358 14.290 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 15.714 34.061 15.212 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 14.435 34.624 15.097 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 13.897 35.295 16.202 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 14.618 35.407 17.393 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 15.896 34.854 17.524 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 16.407 34.187 16.410 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 17.597 33.540 16.192 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.340 33.456 16.875 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
"type": "blob"
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@@ -12297,7 +14960,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.5 kcal/mol"
+ "-7.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12312,7 +14975,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.561 33.316 12.034 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.061 33.504 12.459 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 19.245 33.727 13.976 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 18.479 32.674 14.816 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 18.630 32.937 16.353 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.780 34.084 16.757 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 17.823 34.979 17.800 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 16.706 35.784 17.702 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 15.952 35.421 16.606 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.744 35.900 16.098 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 14.235 35.261 14.955 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 14.914 34.202 14.336 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.141 33.755 14.838 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 16.622 34.372 16.002 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.013 32.678 14.293 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 16.877 32.337 12.992 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 20.701 33.868 14.305 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 18.795 34.629 14.189 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 16.456 36.518 18.354 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.503 32.869 8.530 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 16.676 33.487 9.750 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 16.274 34.622 9.998 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 17.378 32.790 10.695 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 17.517 31.804 10.546 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 14.673 32.826 6.868 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 15.817 33.623 7.476 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 16.929 31.510 8.176 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 17.991 31.521 7.087 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.496 33.048 12.716 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 20.231 32.815 13.365 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 18.991 32.873 12.778 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 18.117 32.585 13.821 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 16.775 32.544 13.677 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 16.342 32.807 12.422 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 17.135 33.107 11.306 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 18.524 33.140 11.488 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 18.787 32.355 14.989 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 20.054 32.498 14.693 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 21.073 32.359 15.548 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 20.856 32.123 16.511 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 22.052 32.466 15.327 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.535 33.380 9.994 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 16.645 32.454 8.944 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 16.072 32.712 7.695 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.384 33.903 7.476 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.266 34.835 8.505 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.835 34.574 9.753 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
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@@ -12333,7 +14996,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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@@ -12348,7 +15011,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.031 33.585 14.115 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 21.338 32.750 14.026 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 21.881 32.277 15.392 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 21.386 33.061 16.607 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 19.882 33.067 16.657 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 19.230 32.976 15.298 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.841 33.441 15.320 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 17.108 33.854 16.394 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 17.740 33.970 17.735 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 19.280 34.137 17.584 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 15.797 34.069 15.903 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 14.585 34.438 16.521 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 13.425 34.559 15.753 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 13.459 34.325 14.384 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 14.648 33.969 13.740 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 15.819 33.842 14.507 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 17.136 33.562 14.144 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 17.798 33.424 12.909 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 19.160 33.416 12.848 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 19.617 32.181 17.106 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 21.825 35.516 13.751 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 20.432 35.096 14.212 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 17.097 33.423 11.609 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 16.754 34.431 11.018 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 16.942 32.138 11.206 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 17.744 31.740 10.083 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 16.921 31.797 8.811 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.186 34.667 15.411 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 15.542 34.235 15.186 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 16.125 33.977 13.970 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 17.419 33.585 14.299 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 18.344 33.230 13.382 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 17.908 33.285 12.101 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 16.631 33.664 11.665 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 15.694 34.030 12.642 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 17.622 33.609 15.649 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 16.484 34.002 16.163 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 16.235 34.166 17.466 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 16.986 33.973 18.122 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 15.361 34.470 17.870 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.283 33.675 10.239 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 15.614 34.770 9.668 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 15.284 34.782 8.310 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.616 33.697 7.502 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 16.279 32.602 8.049 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 16.611 32.592 9.406 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
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@@ -12369,7 +15032,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.6 kcal/mol"
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@@ -12384,7 +15047,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_4 and N_7\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.856 32.860 12.559 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 17.980 32.166 12.088 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 18.149 31.812 10.799 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 17.181 32.120 9.914 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 16.029 32.790 10.306 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 15.862 33.163 11.641 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 19.008 31.788 12.952 0.00 0.00 -0.342 N \nATOM 8 H UNL 1 18.708 31.278 13.771 0.00 0.00 +0.144 HD\nATOM 9 H UNL 1 19.751 31.342 12.423 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 12\nATOM 10 C UNL 1 17.571 34.159 14.567 0.00 0.00 +0.405 C \nATOM 11 O UNL 1 18.426 34.891 14.096 0.00 0.00 -0.226 OA\nATOM 12 N UNL 1 16.815 33.230 13.916 0.00 0.00 -0.248 N \nATOM 13 H UNL 1 16.157 32.729 14.497 0.00 0.00 +0.158 HD\nBRANCH 10 14\nATOM 14 O UNL 1 17.202 34.164 15.876 0.00 0.00 -0.450 OA\nBRANCH 14 16\nATOM 15 C UNL 1 15.478 35.503 16.847 0.00 0.00 +0.048 C \nATOM 16 C UNL 1 15.786 34.227 16.089 0.00 0.00 +0.230 C \nENDBRANCH 14 16\nENDBRANCH 10 14\nENDBRANCH 1 12\nBRANCH 4 17\nATOM 17 N UNL 1 17.420 31.707 8.634 0.00 0.00 -0.325 N \nATOM 18 H UNL 1 18.303 31.226 8.521 0.00 0.00 +0.148 HD\nBRANCH 17 19\nATOM 19 C UNL 1 16.699 32.147 7.468 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 15.851 31.015 6.933 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 14.564 30.784 7.445 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 13.786 29.733 6.953 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.297 28.909 5.959 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 15.572 29.113 5.444 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 16.350 30.165 5.930 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.550 27.900 5.490 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 17 19\nENDBRANCH 4 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.215 34.635 15.457 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 15.568 34.204 15.212 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 16.136 33.956 13.988 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 17.434 33.561 14.297 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 18.347 33.213 13.366 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 17.896 33.279 12.092 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 16.614 33.661 11.674 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 15.690 34.019 12.665 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 17.654 33.574 15.645 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 16.522 33.963 16.175 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 16.288 34.117 17.483 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 17.047 33.918 18.128 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 15.419 34.417 17.900 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.250 33.684 10.252 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 16.520 32.584 9.421 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 16.171 32.603 8.067 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.550 33.725 7.523 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.275 34.826 8.331 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.621 34.804 9.684 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
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@@ -12405,7 +15068,7 @@
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"backgroundColor": "black",
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+ "-7.6 kcal/mol"
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"sele": "@0",
@@ -12420,7 +15083,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.415 33.598 13.270 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 14.717 34.227 13.732 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 14.757 34.289 15.240 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.040 34.953 15.719 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.256 34.223 15.160 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 17.198 34.235 13.630 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 15.943 33.513 13.140 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 14.704 35.181 13.355 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 15.887 33.386 11.640 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 15.776 34.410 10.815 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 15.696 33.874 9.552 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 15.524 34.508 8.315 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 15.479 33.717 7.159 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 15.610 32.329 7.236 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 15.778 31.680 8.464 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 15.810 32.492 9.600 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 15.924 32.202 10.936 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 15.980 31.266 11.312 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 18.505 34.786 15.649 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 19.344 34.012 16.432 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 19.067 32.844 16.675 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 20.457 34.703 16.841 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 18.797 35.719 15.396 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 20.448 35.704 16.715 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 21.580 34.175 17.514 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 21.614 33.919 18.888 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 22.757 33.375 19.485 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 23.883 33.080 18.714 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 23.857 33.331 17.340 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 22.711 33.872 16.744 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 25.051 32.519 19.327 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 25.993 32.063 19.825 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.845 32.206 10.226 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 18.189 32.094 10.282 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 18.839 32.543 11.378 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 18.320 33.112 12.472 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 16.983 33.220 12.404 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 16.235 32.786 11.324 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 14.944 33.085 11.660 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 14.961 33.672 12.897 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 16.182 33.766 13.373 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 14.126 32.909 11.097 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 16.141 31.765 9.133 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 15.137 31.810 9.095 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.850 31.197 8.008 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 14.194 28.500 5.934 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 15.573 28.374 5.778 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 16.435 29.248 6.444 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 15.922 30.261 7.266 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 14.532 30.373 7.422 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 13.673 29.497 6.757 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
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@@ -12441,7 +15104,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.3 kcal/mol"
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@@ -12456,7 +15119,7 @@
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 19.548 34.016 15.611 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 19.811 34.041 17.095 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 21.222 34.696 17.049 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 21.207 35.585 15.740 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 21.387 34.451 14.146 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 19.701 33.886 13.511 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 19.148 32.168 13.239 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 17.289 32.044 13.653 0.00 0.00 -0.360 N \nATOM 9 C UNK A 0 16.665 33.708 14.297 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 15.653 34.046 15.201 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 15.790 35.257 15.971 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 16.923 36.146 16.073 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 18.094 35.962 15.332 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 18.030 34.879 14.217 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 19.650 36.483 15.841 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 19.863 35.728 14.842 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 21.554 35.460 18.286 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 21.930 33.963 16.920 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 17.059 31.267 14.251 0.00 0.00 +0.165 HD\nATOM 20 N ALA A 1 18.014 33.542 12.832 0.00 0.00 -0.310 N \nATOM 21 C UNK A 0 18.432 33.082 14.782 0.00 0.00 +0.225 C \nATOM 22 O UNK A 0 18.057 32.153 15.574 0.00 0.00 -0.275 OA\nATOM 23 H ALA A 1 18.441 34.349 12.360 0.00 0.00 +0.149 HD\nENDROOT\nBRANCH 20 25\nATOM 24 CB ALA A 1 15.946 33.944 11.120 0.00 0.00 +0.030 C \nATOM 25 CA ALA A 1 17.126 33.037 11.509 0.00 0.00 +0.095 C \nBRANCH 25 26\nATOM 26 C ALA A 1 17.905 32.476 10.294 0.00 0.00 +0.177 C \nBRANCH 26 27\nATOM 27 O ALA A 1 17.630 31.084 10.138 0.00 0.00 -0.393 OA\nATOM 28 H ALA A 1 18.155 30.770 9.382 0.00 0.00 +0.209 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 20 25\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.130 31.177 7.324 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 17.439 31.206 6.993 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 17.950 30.202 6.249 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 17.318 29.126 5.767 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 16.017 29.105 6.103 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 15.409 30.091 6.859 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 14.108 29.684 6.967 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 13.985 28.501 6.291 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 15.124 28.125 5.756 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 13.371 30.167 7.460 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 15.566 32.174 8.078 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 14.585 32.182 8.300 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.389 33.263 8.555 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 17.131 32.779 12.779 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 18.086 32.361 11.853 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 17.847 32.512 10.486 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 16.646 33.075 10.033 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 15.696 33.499 10.975 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 15.938 33.350 12.341 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
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@@ -12477,7 +15140,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.3 kcal/mol"
+ "-7.6 kcal/mol"
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@@ -12492,7 +15155,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.920 33.765 14.669 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 21.262 33.085 15.060 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 21.465 32.914 16.581 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 20.619 33.827 17.467 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 19.157 33.666 17.151 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 18.886 33.274 15.718 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.509 33.570 15.315 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 16.497 34.069 16.081 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 16.751 34.481 17.488 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 18.262 34.798 17.683 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 15.345 34.045 15.257 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 13.992 34.368 15.483 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 13.064 34.223 14.449 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 13.467 33.769 13.199 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 14.804 33.451 12.941 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 15.743 33.592 13.978 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 17.125 33.410 14.004 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 18.092 33.146 13.014 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 19.421 33.286 13.286 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 18.848 32.843 17.684 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 21.569 35.796 14.183 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 20.176 35.307 14.569 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 17.752 32.845 11.609 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 17.773 31.727 11.127 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 17.400 34.002 10.995 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 16.676 33.853 9.764 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 15.690 34.994 9.601 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.560 34.046 15.000 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.042 33.529 16.145 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 19.916 34.264 16.851 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 20.291 35.501 16.498 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 19.764 36.003 15.369 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 18.894 35.309 14.570 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 20.449 33.619 17.963 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.046 32.696 18.027 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 21.417 33.960 18.914 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 22.442 33.103 19.325 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 23.362 33.488 20.308 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 23.267 34.745 20.907 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 22.251 35.615 20.512 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 21.339 35.223 19.525 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 24.201 35.136 21.921 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 24.954 35.454 22.745 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.708 33.221 14.262 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.546 32.347 14.751 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 19.950 32.313 12.553 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 18.577 32.650 12.031 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 18.331 32.465 10.659 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 17.064 32.681 10.108 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 16.040 33.141 10.941 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 16.264 33.353 12.313 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.544 33.129 12.865 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.122 33.813 13.181 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 16.869 32.384 8.683 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 16.051 31.420 8.235 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 16.039 31.023 6.768 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 16.030 30.693 5.552 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
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@@ -12513,7 +15176,7 @@
"kwargs": {
"backgroundColor": "black",
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"sele": "@0",
@@ -12528,7 +15191,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.108 33.300 13.100 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 20.595 32.893 13.050 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 21.260 32.785 14.443 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 20.685 33.929 15.364 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 21.483 34.254 16.667 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 22.938 34.331 16.371 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 23.999 34.937 17.001 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 25.149 34.574 16.326 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 24.838 33.737 15.275 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 25.626 33.067 14.341 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 24.952 32.250 13.420 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 23.554 32.133 13.416 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 22.770 32.840 14.338 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 23.462 33.612 15.278 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 19.169 33.691 15.597 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 18.495 32.934 14.452 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 26.089 34.847 16.585 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 18.753 34.628 15.630 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 17.474 31.707 9.525 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 16.618 32.408 10.331 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 15.421 32.483 10.066 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 17.209 33.060 11.428 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 18.343 32.517 12.032 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 18.789 31.401 11.741 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 18.357 31.397 9.921 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 17.138 32.021 7.100 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 17.044 31.078 8.289 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 16.528 34.247 12.001 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.517 34.044 13.145 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 15.608 35.088 14.253 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 14.243 35.321 14.877 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 13.224 34.250 14.563 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 14.338 35.540 16.366 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 13.861 36.195 14.485 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 18.772 33.048 16.920 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 17.517 33.638 17.482 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 17.470 34.573 18.442 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.381 31.338 7.525 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 15.576 31.802 6.514 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.116 33.000 6.762 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 15.651 33.338 7.990 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 16.454 32.309 8.504 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.093 32.464 9.770 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 17.911 31.499 10.405 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 18.486 31.763 11.648 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 18.252 32.982 12.270 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 17.440 33.933 11.647 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.852 33.706 10.412 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 16.087 34.684 9.911 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 15.476 34.535 8.718 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 14.698 35.571 8.257 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 14.617 36.394 8.832 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 14.235 35.470 7.366 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 17.034 30.046 7.438 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 18.379 29.287 5.458 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.969 29.403 6.041 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.300 28.028 6.047 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
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@@ -12549,7 +15212,7 @@
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"backgroundColor": "black",
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- "-8.3 kcal/mol"
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"sele": "@0",
@@ -12564,7 +15227,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.647 32.735 13.765 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 18.484 33.928 14.730 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 19.803 34.366 15.412 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 20.654 33.077 15.731 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 21.824 33.239 16.753 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 21.371 34.025 17.931 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 21.818 34.128 19.227 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 21.068 35.105 19.853 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 20.149 35.634 18.971 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 19.213 36.659 19.091 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 18.458 36.960 17.947 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 18.614 36.248 16.747 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.534 35.195 16.649 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 20.310 34.942 17.787 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 21.069 32.390 14.403 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 20.087 32.646 13.259 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 21.197 35.418 20.807 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 21.047 31.383 14.603 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 16.352 34.300 10.560 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 15.657 33.702 11.577 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 14.441 33.552 11.506 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 16.418 33.332 12.700 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 17.754 32.960 12.544 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 18.281 32.803 11.437 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 17.351 34.125 10.497 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 15.694 33.868 8.221 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 15.699 34.847 9.384 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 15.738 33.218 14.014 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.122 34.482 14.644 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 13.936 34.208 15.562 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 14.232 34.691 16.972 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 15.574 34.251 17.511 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 14.078 36.187 17.095 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 13.527 34.280 17.602 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 22.487 32.652 13.909 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 22.546 33.783 12.932 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 22.786 35.063 13.251 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.971 34.539 15.284 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 17.687 34.369 16.443 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 18.737 33.610 16.266 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.709 33.273 14.926 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.604 33.841 14.275 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.394 33.605 12.883 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 16.315 34.103 12.116 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 16.213 33.806 10.757 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 17.178 33.012 10.152 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 18.241 32.516 10.909 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 18.375 32.790 12.263 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.429 32.256 12.892 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 19.623 32.473 14.210 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 20.720 31.893 14.803 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 21.329 31.332 14.230 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.875 32.047 15.789 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.791 35.381 15.243 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 14.182 36.023 17.060 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.638 34.891 16.138 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.444 34.364 15.340 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
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@@ -12585,7 +15248,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.3 kcal/mol"
+ "-7.5 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12600,7 +15263,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.291 34.247 7.489 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 15.851 33.834 8.839 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 15.720 34.970 9.824 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.313 34.587 11.172 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 15.657 33.314 11.698 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 15.866 32.180 10.691 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 15.216 32.532 9.352 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 16.846 33.647 8.671 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 15.282 31.406 8.354 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 14.223 30.850 7.796 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 14.700 29.833 7.005 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 14.006 28.897 6.227 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 14.744 27.953 5.500 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 16.140 27.948 5.545 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 16.848 28.872 6.321 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 16.086 29.795 7.041 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 16.436 30.799 7.909 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 17.385 31.005 8.187 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 16.149 32.950 13.018 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 17.502 33.045 13.295 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 18.280 33.479 12.454 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 17.802 32.629 14.567 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 15.519 32.667 13.755 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 17.084 32.128 15.068 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 19.049 32.740 15.221 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 20.273 32.438 14.616 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 21.474 32.591 15.319 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 21.465 33.047 16.639 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 20.246 33.352 17.250 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 19.047 33.202 16.544 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 22.696 33.206 17.356 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 23.692 33.330 17.935 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.795 34.020 13.009 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 14.860 33.464 12.171 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.401 32.658 11.295 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 16.753 32.683 11.578 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.039 33.536 12.654 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 18.385 33.703 13.097 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 18.808 34.542 14.155 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 20.157 34.626 14.500 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 21.094 33.880 13.798 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 20.679 33.056 12.750 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 19.347 32.948 12.378 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.063 32.133 11.354 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 17.791 31.981 10.931 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 17.562 31.135 9.871 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 18.352 30.668 9.457 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 16.614 31.014 9.544 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.410 34.911 14.086 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.827 34.509 16.530 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.908 34.188 15.350 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.465 34.545 15.709 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
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@@ -12621,7 +15284,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.2 kcal/mol"
+ "-7.5 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12636,7 +15299,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.871 32.270 15.804 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 20.097 32.278 14.497 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 18.691 32.777 14.730 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 17.889 32.754 13.437 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 18.597 33.569 12.359 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 19.995 32.991 12.121 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 20.828 33.069 13.400 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 20.062 31.297 14.199 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.254 32.626 13.200 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 23.257 32.994 13.974 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 24.386 32.434 13.425 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 25.726 32.540 13.819 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 26.697 31.855 13.078 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 26.338 31.077 11.974 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 25.005 30.965 11.565 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 24.060 31.666 12.317 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 22.702 31.806 12.187 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 22.156 31.400 11.440 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 17.829 33.629 11.126 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 17.594 32.469 10.408 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 17.985 31.387 10.828 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 16.889 32.705 9.254 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 17.425 34.495 10.799 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 16.804 33.665 8.957 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 16.352 31.737 8.379 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 17.129 30.923 7.549 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 16.528 29.968 6.720 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 15.139 29.817 6.709 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 14.356 30.627 7.536 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 14.959 31.577 8.367 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 14.527 28.837 5.862 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 14.031 28.041 5.180 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.567 33.774 14.289 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 18.040 33.130 13.624 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 19.745 36.654 15.670 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 18.482 35.989 15.119 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 18.755 34.498 14.903 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 20.014 34.242 14.102 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 21.039 35.187 14.047 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 20.910 36.548 14.681 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 22.174 34.856 13.306 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 22.254 33.620 12.670 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 21.183 32.750 12.779 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 20.056 33.032 13.476 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 16.771 32.923 15.243 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 16.487 33.713 16.530 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 15.045 34.238 16.586 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 14.991 35.644 17.185 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 13.581 36.079 17.325 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 13.085 36.123 16.424 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 13.529 37.026 17.731 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 13.039 35.467 17.950 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 16.732 34.591 13.321 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 16.706 33.978 11.957 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 16.016 34.423 10.920 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 16.303 33.555 9.890 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 15.854 33.555 8.561 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 16.306 32.546 7.702 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 17.181 31.557 8.156 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 17.638 31.540 9.479 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 17.175 32.559 10.313 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 17.413 32.844 11.633 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.009 32.297 12.243 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
"type": "blob"
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@@ -12657,7 +15320,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.2 kcal/mol"
+ "-7.4 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12672,7 +15335,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.404 33.301 13.536 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 16.605 33.492 12.403 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 15.274 33.858 12.579 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 14.692 34.061 13.786 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 15.473 33.888 14.865 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 16.805 33.516 14.790 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 17.072 33.233 10.719 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 16.981 34.530 10.083 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 18.313 32.491 10.779 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 15.886 32.270 10.068 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 15.787 32.030 8.708 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 16.343 32.702 7.856 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 14.999 30.949 8.437 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 15.443 31.645 10.726 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 14.675 30.389 9.207 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 14.803 30.454 7.084 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 16.010 29.634 6.637 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 13.527 29.621 7.013 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 18.779 32.977 13.542 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 18.961 32.063 13.961 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 23.303 34.228 11.995 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 22.106 34.495 12.859 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 21.013 33.617 12.859 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 19.897 33.836 13.684 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 19.892 34.960 14.511 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 20.982 35.834 14.532 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 22.086 35.600 13.714 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.302 32.680 13.137 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.529 32.064 13.098 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 19.147 32.124 14.248 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.281 32.805 15.081 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.105 33.174 14.411 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.084 33.894 15.101 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 14.864 34.339 14.538 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 13.937 35.037 15.312 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.215 35.300 16.647 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 15.421 34.867 17.202 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.366 34.171 16.463 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 17.490 33.810 17.095 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.458 33.136 16.441 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 19.593 32.797 17.141 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 19.652 33.069 18.109 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.326 32.294 16.662 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 16.426 32.693 11.982 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 17.334 32.162 9.702 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 17.071 33.280 10.713 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.223 34.373 10.062 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
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@@ -12693,7 +15356,7 @@
"kwargs": {
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"labelText": [
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@@ -12708,7 +15371,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.840 34.048 15.221 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 16.644 34.582 16.234 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 16.125 35.599 17.031 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 14.874 36.103 16.905 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 14.108 35.572 15.938 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 14.539 34.565 15.091 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 18.327 34.172 16.582 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 18.719 35.029 17.681 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 18.352 32.729 16.686 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 19.190 34.643 15.244 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 20.499 34.247 15.027 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 21.222 33.782 15.892 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 20.879 34.433 13.729 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 18.626 34.973 14.475 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 20.180 34.716 13.063 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 22.184 34.023 13.239 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 22.133 32.588 12.723 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 22.652 34.975 12.143 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 16.186 32.986 14.355 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 16.529 32.168 14.863 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 15.788 34.704 9.739 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 16.565 33.961 10.785 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.030 33.762 12.066 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 16.732 33.043 13.049 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 17.988 32.526 12.726 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 18.523 32.704 11.448 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 17.814 33.414 10.481 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.286 34.497 8.156 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 15.750 33.499 7.303 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.629 32.511 7.755 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 17.028 32.565 9.097 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 16.581 33.554 9.979 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 15.692 34.536 9.496 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 17.195 33.303 11.244 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 17.994 32.178 11.095 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.876 31.745 9.805 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 18.766 31.590 12.027 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 18.721 32.192 13.229 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 17.969 33.331 13.507 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 17.179 33.908 12.510 0.00 0.00 +0.015 C \nATOM 14 N UNL 1 19.537 31.651 14.209 0.00 0.00 -0.343 N \nATOM 15 H UNL 1 18.361 30.941 9.441 0.00 0.00 +0.167 HD\nATOM 16 H UNL 1 20.038 30.836 13.876 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 19.170 31.610 15.148 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
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@@ -12729,7 +15392,7 @@
"kwargs": {
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"labelText": [
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"labelType": "text",
"sele": "@0",
@@ -12744,7 +15407,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_6 and C_7\nREMARK 2 A between atoms: C_7 and N_8\nREMARK 3 A between atoms: N_20 and CA_25\nREMARK 4 A between atoms: CA_25 and C_26\nREMARK 5 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 20.864 34.279 14.792 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 21.046 35.424 13.830 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 22.479 35.066 13.343 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 22.567 33.493 13.485 0.00 0.00 +0.100 C \nATOM 5 N UNK A 0 18.645 33.871 17.574 0.00 0.00 -0.360 NA\nATOM 6 C UNK A 0 18.047 33.274 15.884 0.00 0.00 +0.047 C \nATOM 7 C UNK A 0 17.000 33.691 15.056 0.00 0.00 +0.026 C \nATOM 8 C UNK A 0 17.138 33.527 13.631 0.00 0.00 +0.003 C \nATOM 9 C UNK A 0 18.294 33.116 12.871 0.00 0.00 +0.009 C \nATOM 10 C UNK A 0 19.497 32.737 13.475 0.00 0.00 -0.007 C \nATOM 11 C UNK A 0 19.455 32.559 15.019 0.00 0.00 +0.011 C \nATOM 12 C UNK A 0 21.040 32.901 12.738 0.00 0.00 +0.005 C \nATOM 13 C UNK A 0 21.281 32.623 13.954 0.00 0.00 +0.000 C \nATOM 14 C UNK A 0 22.771 35.558 11.966 0.00 0.00 +0.191 C \nATOM 15 H UNK A 0 23.166 35.477 13.987 0.00 0.00 +0.204 HD\nATOM 16 H UNK A 0 18.356 34.809 17.798 0.00 0.00 +0.165 HD\nATOM 17 C UNK A 0 19.762 34.158 16.048 0.00 0.00 +0.225 C \nATOM 18 O UNK A 0 19.664 32.920 16.345 0.00 0.00 -0.275 OA\nENDROOT\nBRANCH 5 19\nATOM 19 C UNK A 0 20.527 33.593 17.728 0.00 0.00 +0.087 C \nBRANCH 19 21\nATOM 20 C UNK A 0 22.794 32.993 15.372 0.00 0.00 +0.096 C \nATOM 21 C UNK A 0 21.126 32.751 16.223 0.00 0.00 -0.016 C \nENDBRANCH 19 21\nENDBRANCH 5 19\nTORSDOF 2\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_6 and C_7\nREMARK 2 A between atoms: C_7 and N_8\nREMARK 3 A between atoms: N_20 and CA_25\nREMARK 4 A between atoms: CA_25 and C_26\nREMARK 5 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 CB ALA A 1 18.034 37.719 18.522 0.00 0.00 +0.030 C \nATOM 2 CA ALA A 1 17.688 36.406 17.799 0.00 0.00 +0.095 C \nENDROOT\nBRANCH 2 3\nATOM 3 N ALA A 1 18.836 35.857 16.716 0.00 0.00 -0.310 NA\nATOM 4 H ALA A 1 19.055 36.784 16.328 0.00 0.00 +0.149 HD\nENDBRANCH 2 3\nBRANCH 2 5\nATOM 5 C ALA A 1 16.200 36.300 17.382 0.00 0.00 +0.177 C \nBRANCH 5 6\nATOM 6 O ALA A 1 15.645 35.076 17.860 0.00 0.00 -0.393 OA\nATOM 7 H ALA A 1 14.720 35.041 17.557 0.00 0.00 +0.209 HD\nENDBRANCH 5 6\nENDBRANCH 2 5\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.531 32.553 11.003 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.894 32.774 11.117 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.386 33.466 12.223 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.551 33.950 13.223 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 15.162 33.736 13.127 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 14.674 33.028 11.997 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 14.348 34.256 14.174 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 14.961 34.941 15.262 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 14.262 35.495 16.368 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 14.928 36.162 17.397 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 16.307 36.288 17.346 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 17.004 35.747 16.266 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 16.363 35.081 15.230 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 17.125 34.601 14.241 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 12.962 34.039 14.166 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.507 33.616 13.372 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.367 34.457 14.863 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
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@@ -12765,7 +15428,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.2 kcal/mol"
+ "-7.4 kcal/mol"
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@@ -12780,7 +15443,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 21.096 34.951 15.906 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 21.488 35.993 14.891 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 22.468 35.118 14.057 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 21.927 33.641 14.226 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 22.394 32.945 16.004 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 21.051 33.342 17.271 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 21.259 34.234 18.850 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 19.691 35.270 19.185 0.00 0.00 -0.360 NA\nATOM 9 C UNK A 0 18.494 35.106 17.733 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 17.543 35.980 17.195 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 17.236 35.886 15.790 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 17.882 35.098 14.768 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 18.928 34.213 15.048 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 19.208 33.947 16.555 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 20.158 33.787 13.927 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 20.560 33.341 15.046 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 22.580 35.554 12.636 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 23.402 35.159 14.484 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 19.886 36.224 19.444 0.00 0.00 +0.165 HD\nATOM 20 C UNK A 0 20.401 35.194 17.411 0.00 0.00 +0.225 C \nATOM 21 O UNK A 0 19.943 34.067 17.800 0.00 0.00 -0.275 OA\nENDROOT\nTORSDOF 0\nREMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 CB ALA A 1 20.924 38.630 20.351 0.00 0.00 +0.030 C \nATOM 2 CA ALA A 1 19.825 37.976 19.496 0.00 0.00 +0.095 C \nENDROOT\nBRANCH 2 3\nATOM 3 N ALA A 1 20.366 37.087 18.188 0.00 0.00 -0.310 NA\nATOM 4 H ALA A 1 20.794 37.883 17.699 0.00 0.00 +0.149 HD\nENDBRANCH 2 3\nBRANCH 2 5\nATOM 5 C ALA A 1 18.583 38.876 19.287 0.00 0.00 +0.177 C \nBRANCH 5 6\nATOM 6 O ALA A 1 18.928 40.243 19.502 0.00 0.00 -0.393 OA\nATOM 7 H ALA A 1 18.117 40.768 19.384 0.00 0.00 +0.209 HD\nENDBRANCH 5 6\nENDBRANCH 2 5\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.478 36.328 17.508 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.845 36.433 17.313 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.422 35.869 16.175 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.668 35.197 15.222 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 15.275 35.077 15.400 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 14.701 35.658 16.562 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 14.547 34.374 14.399 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 15.239 33.845 13.272 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 14.627 33.135 12.204 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 15.370 32.638 11.133 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 16.740 32.840 11.103 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 17.353 33.537 12.144 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 16.634 34.039 13.221 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 17.318 34.692 14.167 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 13.152 34.258 14.489 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.657 34.567 15.311 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.632 33.707 13.825 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
"type": "blob"
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@@ -12801,7 +15464,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.4 kcal/mol"
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"sele": "@0",
@@ -12816,7 +15479,7 @@
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{
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.373 33.149 12.476 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 18.234 34.305 13.477 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 19.430 34.434 14.449 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 20.118 33.031 14.658 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 21.174 32.948 15.811 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 20.633 33.580 17.042 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 20.920 33.445 18.380 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.126 34.341 19.070 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 19.343 35.058 18.191 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 18.414 36.081 18.377 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 17.811 36.601 17.220 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 18.109 36.108 15.941 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.020 35.056 15.770 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 19.639 34.575 16.932 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 20.670 32.512 13.314 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 19.855 32.959 12.102 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 22.134 32.744 13.054 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 20.131 34.473 20.073 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 20.552 31.487 13.346 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.475 32.658 9.353 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 17.329 32.368 10.394 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 17.932 31.302 10.509 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 17.509 33.360 11.324 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 16.802 34.078 11.366 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 17.348 31.397 7.413 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 16.194 31.595 8.385 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 15.841 33.956 9.096 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 15.282 34.041 7.684 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.672 32.260 11.098 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 16.347 32.713 10.506 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 15.301 32.810 11.608 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 15.772 33.583 12.813 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.787 34.013 13.634 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.116 34.666 14.754 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 14.082 35.071 15.588 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 14.319 35.753 16.783 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 15.621 36.038 17.158 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 16.675 35.641 16.335 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.449 34.952 15.115 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.475 34.533 14.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.130 33.784 13.077 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.182 33.279 12.116 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.827 34.747 14.527 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.071 35.425 15.234 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.526 34.590 13.815 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
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@@ -12837,7 +15500,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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@@ -12852,7 +15515,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.040 34.362 15.648 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 19.034 34.392 14.487 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 17.703 35.099 14.833 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 17.415 34.994 16.380 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 15.985 35.431 16.843 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 14.957 34.819 15.962 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 13.623 34.528 16.126 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.159 34.011 14.931 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.175 33.978 14.001 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.216 33.580 12.665 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.450 33.710 12.007 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 16.593 34.196 12.660 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 16.547 34.561 14.013 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 15.298 34.460 14.643 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 18.534 35.703 17.171 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 19.900 35.645 16.490 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 18.251 37.111 17.620 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 12.207 33.719 14.752 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 18.649 35.153 18.037 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 23.027 32.851 14.103 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 21.731 32.954 14.558 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 20.902 32.048 14.476 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 21.390 34.141 15.153 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 21.973 34.938 14.944 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 24.415 31.906 12.287 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 23.404 31.627 13.389 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 24.089 33.844 14.298 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 24.892 33.570 15.559 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.679 32.882 10.768 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.027 32.455 11.326 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 17.548 33.523 12.279 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.530 33.959 13.302 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.042 34.603 14.374 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.207 35.069 15.310 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.763 35.749 16.386 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.978 36.279 17.411 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.603 36.130 17.363 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.022 35.450 16.292 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 14.808 34.901 15.245 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 14.284 34.182 14.133 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 15.160 33.753 13.115 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 14.653 33.023 11.892 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 12.902 34.005 13.978 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.295 34.144 14.773 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.561 33.362 13.278 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
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@@ -12873,7 +15536,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.3 kcal/mol"
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@@ -12888,7 +15551,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.683 35.003 14.198 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.549 36.317 15.218 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 19.278 35.125 15.214 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 18.003 34.394 16.467 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 17.858 33.897 17.773 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 16.498 33.683 18.054 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 15.733 34.057 16.984 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 14.375 34.072 16.667 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 14.049 34.497 15.352 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 15.025 34.869 14.404 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 16.345 34.845 14.795 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 16.648 34.467 16.064 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 16.135 33.299 18.918 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 19.526 36.067 16.813 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 18.818 36.047 17.565 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 20.464 37.205 17.109 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 18.605 37.711 18.716 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 20.096 37.839 18.443 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.438 34.380 16.909 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 19.849 33.050 15.705 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 18.516 33.276 14.378 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 21.123 32.456 15.069 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 21.627 33.385 13.593 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 22.821 32.211 12.908 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.163 32.898 11.782 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 17.421 33.230 12.322 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.555 34.057 13.447 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 18.765 34.400 13.952 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 18.782 35.205 15.038 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 17.623 35.667 15.618 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 16.404 35.342 15.135 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 16.374 34.542 14.057 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 15.137 34.181 13.543 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 15.018 33.359 12.420 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 18.989 32.541 11.467 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 16.105 32.035 10.644 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 16.404 31.075 10.795 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 15.468 33.603 7.456 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 15.288 32.108 7.152 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 15.533 31.441 8.433 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 15.810 32.382 9.384 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 15.801 33.652 8.882 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 15.468 30.450 8.623 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 16.165 34.450 9.384 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
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@@ -12909,7 +15572,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.2 kcal/mol"
+ "-7.3 kcal/mol"
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"sele": "@0",
@@ -12924,7 +15587,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_4 and N_7\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.185 33.317 12.435 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 15.833 33.406 12.072 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 15.387 33.216 10.815 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 16.284 32.946 9.847 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 17.643 32.861 10.122 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 18.099 33.049 11.428 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 14.852 33.709 13.016 0.00 0.00 -0.342 N \nATOM 8 H UNL 1 15.032 34.540 13.562 0.00 0.00 +0.144 HD\nATOM 9 H UNL 1 13.937 33.681 12.577 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 12\nATOM 10 C UNL 1 17.993 32.539 14.664 0.00 0.00 +0.405 C \nATOM 11 O UNL 1 18.240 31.364 14.441 0.00 0.00 -0.226 OA\nATOM 12 N UNL 1 17.528 33.475 13.791 0.00 0.00 -0.248 N \nATOM 13 H UNL 1 17.393 34.398 14.182 0.00 0.00 +0.158 HD\nBRANCH 10 14\nATOM 14 O UNL 1 18.167 33.137 15.874 0.00 0.00 -0.450 OA\nBRANCH 14 16\nATOM 15 C UNL 1 16.534 34.010 17.384 0.00 0.00 +0.048 C \nATOM 16 C UNL 1 17.308 34.260 16.104 0.00 0.00 +0.230 C \nENDBRANCH 14 16\nENDBRANCH 10 14\nENDBRANCH 1 12\nBRANCH 4 17\nATOM 17 N UNL 1 15.752 32.789 8.598 0.00 0.00 -0.325 N \nATOM 18 H UNL 1 14.746 32.892 8.570 0.00 0.00 +0.148 HD\nBRANCH 17 19\nATOM 19 C UNL 1 16.439 32.228 7.464 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 15.666 31.043 6.931 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 16.177 30.274 5.873 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 15.457 29.185 5.379 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.223 28.870 5.933 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 13.693 29.623 6.974 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 14.412 30.710 7.474 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.533 27.826 5.456 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 17 19\nENDBRANCH 4 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.341 31.452 7.037 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 15.363 31.181 8.359 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 15.599 32.181 9.232 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 15.605 31.916 10.597 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 15.846 32.918 11.541 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 16.088 34.221 11.122 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.089 34.516 9.761 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 15.846 33.504 8.817 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 15.832 33.766 7.446 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 15.577 32.733 6.551 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 15.272 28.276 7.440 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 14.339 29.267 6.715 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 15.094 30.400 6.152 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 16.213 30.043 5.269 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 17.179 29.082 5.998 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 16.425 27.884 6.535 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 17.071 27.282 7.061 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 16.063 27.327 5.751 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
"type": "blob"
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@@ -12945,7 +15608,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.2 kcal/mol"
+ "-7.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12960,7 +15623,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 22.247 36.158 19.349 0.00 0.00 +0.237 N \nATOM 2 C UNL 1 22.643 36.044 17.868 0.00 0.00 +0.150 C \nATOM 3 C UNL 1 21.708 36.919 17.002 0.00 0.00 +0.157 C \nATOM 4 N UNL 1 20.290 36.628 17.268 0.00 0.00 -0.305 N \nATOM 5 C UNL 1 19.875 36.704 18.675 0.00 0.00 +0.157 C \nATOM 6 C UNL 1 20.771 35.794 19.550 0.00 0.00 +0.150 C \nATOM 7 C UNL 1 19.760 35.549 16.557 0.00 0.00 +0.122 C \nATOM 8 N UNL 1 20.594 34.575 16.157 0.00 0.00 -0.237 NA\nATOM 9 C UNL 1 20.093 33.514 15.468 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 18.734 33.373 15.154 0.00 0.00 -0.018 C \nATOM 11 C UNL 1 18.224 32.183 14.368 0.00 0.00 +0.037 C \nATOM 12 C UNL 1 18.348 32.324 12.850 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.744 32.062 12.269 0.00 0.00 +0.000 C \nATOM 14 C UNL 1 20.754 33.183 12.512 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 21.743 32.923 13.653 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 21.131 32.529 14.996 0.00 0.00 +0.056 C \nATOM 17 C UNL 1 17.867 34.402 15.576 0.00 0.00 -0.010 C \nATOM 18 C UNL 1 18.402 35.488 16.287 0.00 0.00 +0.052 C \nATOM 19 H UNL 1 22.316 37.160 19.568 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 17 20\nATOM 20 C UNL 1 16.427 34.408 15.289 0.00 0.00 -0.017 C \nATOM 21 C UNL 1 15.491 34.149 16.307 0.00 0.00 +0.011 C \nATOM 22 C UNL 1 14.122 34.166 16.033 0.00 0.00 +0.039 C \nATOM 23 C UNL 1 13.683 34.445 14.744 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 14.588 34.708 13.723 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 15.957 34.691 13.996 0.00 0.00 +0.011 C \nATOM 26 F UNL 1 12.370 34.462 14.483 0.00 0.00 -0.205 F \nENDBRANCH 17 20\nBRANCH 1 28\nATOM 27 C UNL 1 24.335 34.756 19.593 0.00 0.00 +0.060 C \nATOM 28 C UNL 1 23.194 35.468 20.295 0.00 0.00 +0.128 C \nENDBRANCH 1 28\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.375 34.907 8.607 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.147 34.642 9.735 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.787 33.410 9.901 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 16.621 32.453 8.891 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 15.852 32.688 7.747 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 15.220 33.941 7.605 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 15.899 31.501 6.953 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 16.687 30.585 7.634 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.117 31.174 8.789 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 16.994 29.329 7.262 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 16.458 28.965 6.083 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 15.643 29.785 5.307 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 15.352 31.084 5.730 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 17.706 30.713 9.464 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 16.707 27.664 5.679 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 17.300 27.171 6.336 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 16.881 27.507 4.698 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
"type": "blob"
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@@ -12981,7 +15644,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.1 kcal/mol"
+ "-7.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -12996,7 +15659,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.817 34.428 15.514 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.493 35.602 16.504 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 17.992 35.714 16.851 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.388 34.349 17.272 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 15.855 34.463 17.575 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 15.094 34.568 16.306 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 13.864 35.083 15.974 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.650 34.819 14.636 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.732 34.149 14.104 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.989 33.646 12.828 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 16.208 32.974 12.643 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 17.138 32.828 13.681 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.880 33.367 14.946 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 15.643 34.001 15.135 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.760 33.341 16.147 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 19.088 33.160 15.967 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 17.768 36.835 17.821 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 17.514 35.968 15.975 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 12.811 35.056 14.121 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 23.111 33.332 14.271 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 21.780 33.692 14.237 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 21.109 33.707 13.207 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 21.225 34.092 15.420 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 21.722 33.881 16.270 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 23.688 31.470 12.750 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 23.751 32.969 13.003 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 23.962 33.263 15.465 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 25.410 33.598 15.141 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.526 35.945 17.198 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.223 35.667 16.819 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 13.985 35.019 15.607 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 15.017 34.641 14.757 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 16.349 34.914 15.123 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 16.578 35.572 16.360 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.371 34.511 14.216 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 17.012 33.847 13.008 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 17.935 33.389 12.030 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 17.511 32.752 10.863 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 16.156 32.555 10.648 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 15.240 32.999 11.602 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 15.639 33.637 12.769 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 14.680 34.025 13.618 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 18.722 34.710 14.539 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 18.989 35.236 15.355 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.451 34.492 13.879 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
"type": "blob"
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@@ -13017,7 +15680,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.1 kcal/mol"
+ "-7.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13032,7 +15695,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.212 34.677 14.802 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 20.488 34.323 14.350 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 21.467 35.309 14.275 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 21.275 36.603 14.629 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 20.050 36.927 15.075 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 19.010 36.017 15.176 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 21.004 32.740 13.759 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 22.448 32.804 13.676 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 20.324 31.780 14.602 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 20.416 32.625 12.211 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 19.099 32.293 11.939 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 18.345 31.780 12.748 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 18.747 32.612 10.659 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 20.974 33.094 11.513 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 19.401 33.134 10.100 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 17.395 32.427 10.160 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 16.652 33.760 10.125 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 17.432 31.794 8.773 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 18.119 33.800 14.985 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 18.307 32.866 14.618 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 14.269 35.924 17.241 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 14.846 35.209 16.055 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.183 34.785 16.057 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 16.732 34.088 14.967 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 15.914 33.824 13.867 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 14.577 34.226 13.861 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 14.044 34.911 14.951 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.621 32.706 10.939 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.269 32.513 10.712 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.343 32.981 11.644 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 15.731 33.639 12.804 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 17.101 33.847 13.055 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 18.033 33.367 12.097 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.449 34.522 14.260 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 16.417 34.965 15.137 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 16.633 35.655 16.360 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 15.573 36.053 17.174 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 14.273 35.773 16.785 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 14.048 35.098 15.586 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 15.087 34.690 14.760 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 14.763 34.048 13.632 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 18.792 34.804 14.551 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.536 34.439 13.976 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.058 35.219 15.429 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
"type": "blob"
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@@ -13053,7 +15716,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.1 kcal/mol"
+ "-7.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13068,7 +15731,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.449 33.502 13.353 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 16.968 33.194 11.908 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 15.471 33.485 11.664 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 14.598 33.550 12.917 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 15.138 34.564 13.887 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 16.635 34.745 13.804 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.186 35.354 15.017 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 16.511 35.806 16.113 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 15.040 35.616 16.222 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 14.590 34.431 15.318 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 17.487 36.417 16.938 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 17.415 37.114 18.162 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 18.580 37.625 18.737 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 19.810 37.445 18.116 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 19.916 36.748 16.908 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 18.747 36.234 16.321 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 18.549 35.464 15.175 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 19.416 34.827 14.268 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 18.941 33.906 13.382 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 14.772 35.472 13.571 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 18.561 31.438 14.610 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 17.300 32.192 14.197 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 20.884 34.992 14.298 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 21.459 36.029 14.018 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 21.439 33.825 14.707 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 21.989 33.833 16.034 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 21.079 33.071 16.977 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.682 36.464 15.616 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 19.687 35.579 14.923 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 18.306 35.841 15.113 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 17.286 35.103 14.533 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.633 34.026 13.702 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 16.613 33.266 13.105 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.289 33.600 13.351 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 15.038 34.677 14.184 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 16.001 35.427 14.771 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 18.998 33.718 13.476 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 19.998 34.489 14.081 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 21.167 33.898 13.635 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 20.831 32.843 12.814 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 19.538 32.715 12.704 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 21.737 32.061 12.217 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 22.526 34.269 13.935 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 22.741 32.151 12.295 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 21.401 31.305 11.629 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
"type": "blob"
}
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@@ -13089,7 +15752,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.1 kcal/mol"
+ "-7.2 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13104,7 +15767,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.885 33.890 14.982 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 19.692 33.731 14.016 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 18.548 34.743 14.264 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 18.406 34.969 15.819 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 17.084 35.636 16.318 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 15.912 35.018 15.643 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 14.577 34.932 15.960 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.932 34.330 14.897 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.838 34.035 13.899 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.690 33.484 12.627 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.855 33.365 11.853 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 17.112 33.755 12.340 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 17.253 34.275 13.634 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 16.074 34.429 14.373 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 19.694 35.642 16.363 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 20.939 35.313 15.538 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 12.936 34.163 14.837 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 19.833 35.241 17.297 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 24.219 32.311 12.891 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 24.469 32.854 14.123 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 25.617 32.954 14.547 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 23.335 33.227 14.866 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 22.183 33.658 14.208 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 22.144 33.865 12.990 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 23.334 32.529 12.444 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 24.981 31.959 10.570 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 25.270 31.766 12.050 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 23.440 33.279 16.345 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 24.185 34.460 16.996 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 23.639 34.868 18.360 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 22.704 33.799 18.900 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 23.284 32.979 20.030 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 21.367 34.373 19.297 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 22.512 33.132 18.138 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 19.636 37.147 16.596 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 19.734 37.499 18.047 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 18.752 38.053 18.772 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.356 32.685 10.858 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 19.347 32.374 11.968 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 19.262 33.448 13.045 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 17.853 33.733 13.495 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.753 34.379 14.678 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.541 34.717 15.132 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.474 35.403 16.337 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.259 35.806 16.894 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.078 35.520 16.231 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.121 34.831 15.018 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 15.349 34.410 14.444 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 15.463 33.691 13.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.745 33.397 12.711 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.926 32.672 11.396 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 14.327 33.381 12.459 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 13.417 33.423 12.893 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 14.411 32.737 11.685 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
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@@ -13140,7 +15803,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 19.034 35.467 16.244 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 19.847 36.613 16.788 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 18.701 37.345 17.545 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 17.688 36.197 17.943 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 16.652 35.631 16.372 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 17.520 34.234 15.443 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 17.997 34.216 13.682 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 19.634 33.252 13.494 0.00 0.00 -0.360 NA\nATOM 9 C UNK A 0 20.263 32.725 15.196 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 21.552 32.517 15.699 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 21.789 32.736 17.104 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 20.907 33.300 18.098 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 19.591 33.675 17.811 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 19.048 33.240 16.420 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 18.738 34.913 18.642 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 18.023 34.641 17.628 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 19.183 38.145 18.707 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 18.217 37.977 16.894 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 20.323 33.731 12.938 0.00 0.00 +0.165 HD\nATOM 20 C UNK A 0 19.417 34.451 14.968 0.00 0.00 +0.225 C \nATOM 21 O UNK A 0 18.587 33.481 14.998 0.00 0.00 -0.275 OA\nENDROOT\nTORSDOF 0\nREMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 CB ALA A 1 22.675 35.421 11.698 0.00 0.00 +0.030 C \nATOM 2 CA ALA A 1 21.942 34.341 12.512 0.00 0.00 +0.095 C \nENDROOT\nBRANCH 2 3\nATOM 3 N ALA A 1 21.036 34.902 13.800 0.00 0.00 -0.310 NA\nATOM 4 H ALA A 1 21.596 35.750 13.950 0.00 0.00 +0.149 HD\nENDBRANCH 2 3\nBRANCH 2 5\nATOM 5 C ALA A 1 22.774 33.054 12.728 0.00 0.00 +0.177 C \nBRANCH 5 6\nATOM 6 O ALA A 1 22.092 31.931 12.171 0.00 0.00 -0.393 OA\nATOM 7 H ALA A 1 22.638 31.145 12.349 0.00 0.00 +0.209 HD\nENDBRANCH 5 6\nENDBRANCH 2 5\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.659 32.168 10.349 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.066 33.550 10.127 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 16.107 33.884 11.263 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.693 33.641 12.630 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 16.047 34.260 13.643 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.468 34.062 14.897 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.767 34.691 15.918 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 16.122 34.544 17.260 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.203 33.747 17.595 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.922 33.105 16.587 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 17.576 33.250 15.217 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 18.276 32.639 14.139 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.788 32.794 12.824 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.466 32.133 11.646 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 19.364 31.788 14.377 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.823 31.815 15.276 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.942 31.495 13.602 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
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@@ -13161,7 +15824,7 @@
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@@ -13176,7 +15839,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.808 32.661 14.734 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.976 33.015 16.377 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 18.114 33.284 15.311 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.102 34.911 14.981 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 19.001 36.312 14.963 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.271 36.879 14.771 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 21.218 35.896 14.694 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 22.598 35.834 14.506 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 23.155 34.530 14.421 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 22.374 33.358 14.502 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 21.020 33.499 14.705 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 20.498 34.748 14.817 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.460 37.872 14.690 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 17.763 34.407 16.768 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 18.351 35.234 16.965 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 16.940 34.137 17.998 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 18.597 35.857 18.764 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 17.580 34.815 19.201 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.646 34.902 15.287 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 17.229 34.334 13.582 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 18.752 33.261 13.240 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 15.993 33.722 12.891 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 15.946 34.132 11.123 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 16.358 32.506 10.441 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.630 27.998 5.574 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 14.205 28.526 5.582 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 13.897 29.146 6.940 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 14.951 30.115 7.407 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.556 30.953 8.392 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.442 31.816 8.902 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.013 32.645 9.930 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.860 33.574 10.535 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.172 33.680 10.106 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.626 32.858 9.073 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.773 31.912 8.446 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.165 31.056 7.378 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.250 30.100 6.890 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.626 29.138 5.786 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.481 31.065 6.894 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.078 31.851 7.105 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 18.697 30.572 6.039 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
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@@ -13197,7 +15860,7 @@
"kwargs": {
"backgroundColor": "black",
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@@ -13212,7 +15875,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.898 36.273 14.907 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.074 35.840 14.947 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 18.467 36.461 16.135 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.304 34.804 16.671 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 19.267 33.775 17.627 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.146 32.745 17.253 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 20.741 33.045 16.058 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 21.675 32.445 15.215 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 22.055 33.200 14.073 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 21.542 34.485 13.800 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 20.609 35.005 14.670 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 20.227 34.266 15.744 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.323 31.906 17.793 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 17.071 35.248 16.433 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 17.245 34.231 16.491 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 15.590 35.443 16.254 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 13.522 34.356 15.340 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 14.952 34.135 15.807 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.665 35.974 18.109 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 19.398 36.724 18.120 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 20.536 36.891 16.616 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 19.267 38.088 18.830 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 19.814 37.996 20.558 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 21.192 36.839 20.363 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.718 33.895 13.628 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 18.234 34.018 13.822 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 17.760 34.664 14.992 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 16.419 34.844 15.294 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 15.462 34.360 14.388 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 14.097 34.533 14.677 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 13.731 35.179 15.849 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 14.741 35.624 16.685 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 16.063 35.471 16.431 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 15.878 33.706 13.202 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 17.244 33.545 12.935 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 17.252 32.880 11.721 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 15.945 32.680 11.329 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 15.105 33.167 12.199 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 15.608 32.063 10.192 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 18.388 32.444 10.949 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 16.250 31.683 9.510 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 14.620 31.959 9.980 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13248,7 +15911,7 @@
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_2 and N_16\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.711 32.083 8.747 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 16.033 33.309 8.812 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 15.918 34.035 9.942 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 16.462 33.553 11.076 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 17.133 32.337 11.097 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 17.258 31.593 9.923 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 16.281 34.340 12.179 0.00 0.00 -0.325 N \nATOM 8 H UNL 1 15.763 35.188 11.992 0.00 0.00 +0.148 HD\nENDROOT\nBRANCH 1 11\nATOM 9 C UNL 1 15.849 30.808 6.782 0.00 0.00 +0.405 C \nATOM 10 O UNL 1 14.666 30.693 7.062 0.00 0.00 -0.226 OA\nATOM 11 N UNL 1 16.819 31.441 7.499 0.00 0.00 -0.248 N \nATOM 12 H UNL 1 17.741 31.422 7.084 0.00 0.00 +0.158 HD\nBRANCH 9 13\nATOM 13 O UNL 1 16.414 30.316 5.647 0.00 0.00 -0.450 OA\nBRANCH 13 15\nATOM 14 C UNL 1 16.322 27.949 5.965 0.00 0.00 +0.048 C \nATOM 15 C UNL 1 17.232 29.157 5.851 0.00 0.00 +0.230 C \nENDBRANCH 13 15\nENDBRANCH 9 13\nENDBRANCH 1 11\nBRANCH 2 16\nATOM 16 N UNL 1 15.420 33.854 7.685 0.00 0.00 -0.342 N \nATOM 17 H UNL 1 14.789 33.231 7.201 0.00 0.00 +0.144 HD\nATOM 18 H UNL 1 15.025 34.761 7.916 0.00 0.00 +0.144 HD\nENDBRANCH 2 16\nBRANCH 7 19\nATOM 19 C UNL 1 16.988 34.201 13.426 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 16.143 34.742 14.557 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 16.746 35.329 15.681 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 15.963 35.821 16.727 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.579 35.718 16.655 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 13.961 35.132 15.556 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 14.742 34.643 14.507 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.830 36.188 17.660 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 7 19\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.537 33.270 16.263 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 17.705 33.408 15.021 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 18.319 33.151 13.769 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 17.667 33.242 12.548 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 16.312 33.609 12.543 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 15.635 33.706 11.316 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 16.321 33.435 10.141 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 17.656 33.080 10.239 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 18.333 32.978 11.408 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 15.648 33.878 13.765 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 16.343 33.775 14.977 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 15.385 34.103 15.919 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 14.206 34.377 15.260 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 14.338 34.248 13.969 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 13.079 34.728 15.890 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 15.528 34.168 17.352 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 12.965 34.830 16.888 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 12.255 34.912 15.326 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.732 34.317 16.499 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 18.906 34.121 15.211 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 17.617 34.976 15.158 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 16.998 35.040 16.607 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 15.513 35.511 16.720 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 14.681 34.836 15.689 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 13.336 34.576 15.583 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.115 34.010 14.342 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.303 33.909 13.650 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.608 33.465 12.364 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.953 33.546 11.972 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 16.950 34.023 12.837 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 16.637 34.432 14.141 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 15.283 34.388 14.496 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 17.971 35.794 17.552 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 19.435 35.680 17.125 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 12.210 33.742 13.975 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 17.881 35.326 18.460 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 23.634 33.409 15.108 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 23.453 33.414 16.466 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 24.401 33.254 17.229 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 22.124 33.561 16.903 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 21.219 34.301 16.141 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 21.557 34.962 15.153 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 22.926 33.850 14.530 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 24.798 32.342 13.211 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 24.924 33.149 14.494 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 21.752 33.032 18.238 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 21.949 33.930 19.474 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 22.704 33.263 20.618 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 24.003 33.999 20.899 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 25.248 33.165 20.697 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 24.097 35.287 20.118 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 24.005 34.270 21.894 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 17.650 37.256 17.841 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 18.566 37.844 18.868 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 18.448 39.073 19.391 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.332 36.442 17.271 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 17.313 35.576 16.044 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 18.552 35.204 15.464 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 18.677 34.411 14.334 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.506 33.939 13.720 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.613 33.133 12.573 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 18.871 32.824 12.079 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 19.972 33.332 12.747 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 19.899 34.110 13.854 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 16.240 34.278 14.257 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 16.158 35.083 15.400 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 14.795 35.190 15.614 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 14.146 34.475 14.631 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 14.990 33.919 13.807 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 12.814 34.377 14.554 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 14.109 35.907 16.659 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 12.151 34.803 15.187 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 12.419 33.830 13.796 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13305,7 +15968,7 @@
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"backgroundColor": "black",
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@@ -13320,7 +15983,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.918 34.128 7.457 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 15.808 33.815 8.647 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 15.770 34.954 9.637 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.689 34.674 10.817 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 16.316 33.350 11.477 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 16.423 32.221 10.448 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 15.456 32.464 9.289 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 16.756 33.735 8.261 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 15.426 31.327 8.302 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 14.326 30.869 7.735 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 14.713 29.803 6.959 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 13.942 28.931 6.179 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 14.595 27.913 5.471 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 15.984 27.776 5.534 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 16.767 28.636 6.311 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 16.089 29.634 7.013 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 16.522 30.608 7.876 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 17.483 30.726 8.166 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 17.127 33.077 12.653 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 17.243 34.037 13.643 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 16.629 35.094 13.560 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 18.071 33.637 14.661 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 17.578 32.182 12.785 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 18.644 32.824 14.494 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 18.285 34.302 15.888 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 17.710 33.903 17.099 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 17.983 34.599 18.282 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 18.834 35.705 18.269 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 19.414 36.110 17.064 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 19.143 35.410 15.882 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 19.115 36.414 19.483 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 19.344 36.990 20.463 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.193 33.601 11.269 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 16.320 33.752 12.758 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 15.285 34.423 13.456 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 15.277 34.630 14.827 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 16.359 34.146 15.580 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 16.368 34.347 16.970 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.308 35.016 17.564 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 14.283 35.459 16.746 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 14.248 35.279 15.404 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 17.422 33.468 14.934 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 17.391 33.279 13.546 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 18.568 32.597 13.294 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 19.226 32.412 14.491 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 18.559 32.925 15.487 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 20.401 31.781 14.592 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 19.076 32.131 12.028 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 20.925 31.380 13.827 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 20.815 31.690 15.514 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13341,7 +16004,7 @@
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@@ -13356,7 +16019,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.690 34.021 13.846 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 14.996 34.583 14.378 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 14.898 34.804 15.868 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.187 35.404 16.411 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.376 34.516 16.057 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 17.465 34.367 14.535 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 16.199 33.707 13.990 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 15.111 35.488 13.909 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.275 33.423 12.513 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 16.875 32.369 11.993 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 16.778 32.510 10.629 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 17.282 31.701 9.602 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 17.033 32.074 8.275 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 16.294 33.222 7.980 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 15.788 34.043 8.994 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 16.058 33.652 10.307 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 15.754 34.221 11.518 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 15.266 35.099 11.628 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 18.621 35.019 16.616 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 19.534 34.133 17.162 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 19.324 32.927 17.133 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 20.633 34.772 17.678 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 18.855 36.001 16.579 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 20.571 35.772 17.793 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 21.812 34.166 18.164 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 22.002 33.793 19.497 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 23.192 33.177 19.904 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 24.209 32.928 18.980 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 24.026 33.297 17.645 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 22.834 33.908 17.239 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 25.424 32.294 19.398 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 26.405 31.778 19.738 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.156 34.306 12.035 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 17.106 33.493 12.649 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.684 32.416 11.970 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 17.271 32.185 10.652 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 16.319 32.982 10.008 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 15.755 34.063 10.716 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 16.140 32.451 8.694 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 16.980 31.352 8.579 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.654 31.212 9.758 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 17.129 30.541 7.516 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 16.361 30.875 6.464 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 15.470 31.946 6.454 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 15.348 32.765 7.578 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 18.328 30.483 9.931 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 16.444 30.040 5.362 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 17.117 29.296 5.503 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 16.422 30.472 4.451 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
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@@ -13377,7 +16040,7 @@
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@@ -13392,7 +16055,7 @@
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{
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.651 32.754 11.597 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 14.278 33.001 12.316 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 14.423 33.673 13.700 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 15.341 34.921 13.647 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 15.522 35.566 15.063 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 16.448 34.745 15.881 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 16.635 34.584 17.233 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 17.713 33.738 17.405 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 18.214 33.349 16.180 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 19.290 32.537 15.821 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 19.539 32.380 14.448 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 18.735 32.990 13.475 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 17.639 33.775 13.851 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 17.422 33.960 15.224 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 16.662 34.464 12.963 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 16.515 34.014 11.697 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 13.072 33.902 14.307 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 14.916 32.994 14.297 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 18.102 33.462 18.298 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.415 31.721 8.141 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 16.607 31.932 9.490 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 17.650 31.657 10.077 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 15.541 32.430 10.187 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 14.781 32.833 9.664 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 17.012 30.126 6.348 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 17.517 31.120 7.383 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 15.211 32.053 7.371 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 15.132 33.541 7.067 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.889 35.414 16.083 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.988 35.766 16.849 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.268 35.435 16.405 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.483 34.757 15.211 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 15.379 34.389 14.417 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 14.082 34.734 14.879 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 15.651 33.691 13.205 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 17.001 33.412 12.846 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 17.402 32.734 11.663 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 18.746 32.489 11.379 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 19.719 32.918 12.266 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 19.339 33.586 13.430 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 18.007 33.840 13.735 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 17.750 34.488 14.877 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 14.603 33.336 12.343 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 13.641 33.465 12.614 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 14.773 32.784 11.518 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
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@@ -13413,7 +16076,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.1 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13428,7 +16091,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 19.608 34.332 14.076 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 18.500 35.206 14.604 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 17.310 34.487 13.905 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 17.788 32.986 13.748 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 19.089 32.836 12.284 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 20.854 33.097 12.905 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 22.064 34.320 12.296 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 23.126 34.922 13.763 0.00 0.00 -0.360 N \nATOM 9 C UNK A 0 22.512 34.130 15.364 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 22.513 34.570 16.692 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 21.476 34.103 17.576 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 20.295 33.332 17.266 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 20.024 32.855 15.981 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 21.176 32.998 14.945 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 18.444 32.566 15.371 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 19.208 32.493 14.359 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 16.023 34.630 14.642 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 17.190 34.876 12.961 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 23.213 35.924 13.814 0.00 0.00 +0.165 HD\nATOM 20 N ALA A 1 22.559 33.163 13.603 0.00 0.00 -0.310 N \nATOM 21 C UNK A 0 21.245 34.679 14.007 0.00 0.00 +0.225 C \nATOM 22 O UNK A 0 21.370 35.937 14.187 0.00 0.00 -0.275 OA\nATOM 23 H ALA A 1 22.247 32.192 13.477 0.00 0.00 +0.149 HD\nENDROOT\nBRANCH 20 25\nATOM 24 CB ALA A 1 25.074 32.930 14.599 0.00 0.00 +0.030 C \nATOM 25 CA ALA A 1 24.180 32.843 13.350 0.00 0.00 +0.095 C \nBRANCH 25 26\nATOM 26 C ALA A 1 24.540 31.668 12.408 0.00 0.00 +0.177 C \nBRANCH 26 27\nATOM 27 O ALA A 1 23.651 30.574 12.629 0.00 0.00 -0.393 OA\nATOM 28 H ALA A 1 23.927 29.853 12.036 0.00 0.00 +0.209 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 20 25\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.594 32.550 12.864 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 21.698 34.089 12.882 0.00 0.00 +0.157 C \nATOM 3 N UNL 1 21.318 34.636 14.196 0.00 0.00 -0.305 N \nATOM 4 C UNL 1 22.042 34.082 15.349 0.00 0.00 +0.157 C \nATOM 5 C UNL 1 21.912 32.542 15.368 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 22.350 31.961 14.040 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 19.949 34.837 14.387 0.00 0.00 +0.122 C \nATOM 8 N UNL 1 19.089 34.092 13.662 0.00 0.00 -0.232 NA\nATOM 9 C UNL 1 17.762 34.269 13.830 0.00 0.00 +0.073 C \nATOM 10 C UNL 1 16.867 33.520 13.074 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 15.484 33.666 13.212 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 14.971 34.580 14.126 0.00 0.00 +0.001 C \nATOM 13 C UNL 1 15.844 35.343 14.897 0.00 0.00 +0.010 C \nATOM 14 C UNL 1 17.234 35.192 14.753 0.00 0.00 +0.001 C \nATOM 15 C UNL 1 18.136 35.946 15.504 0.00 0.00 +0.013 C \nATOM 16 C UNL 1 19.503 35.767 15.320 0.00 0.00 +0.044 C \nATOM 17 H UNL 1 22.209 30.943 14.050 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 23.356 32.125 13.910 0.00 0.00 +0.201 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13449,7 +16112,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.9 kcal/mol"
+ "-7.0 kcal/mol"
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@@ -13464,7 +16127,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.131 34.611 16.980 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 15.833 34.394 17.808 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 14.598 34.021 16.961 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 14.678 34.386 15.479 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 15.901 33.777 14.849 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 17.050 33.594 15.811 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 18.333 33.450 15.117 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 18.562 33.400 13.773 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 17.444 33.600 12.812 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 16.292 34.392 13.495 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 19.943 33.123 13.630 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 20.770 32.893 12.511 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 22.128 32.625 12.697 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 22.671 32.591 13.975 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 21.880 32.826 15.104 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 20.512 33.093 14.925 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 19.505 33.415 15.836 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 19.495 33.707 17.214 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 18.394 34.258 17.799 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 15.637 32.812 14.609 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 17.783 37.103 17.648 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 17.217 36.132 16.615 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 20.686 33.577 18.078 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 21.225 32.518 18.342 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 21.062 34.816 18.480 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 22.074 35.445 17.678 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 21.479 36.612 16.913 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.304 33.275 13.182 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 19.370 33.962 13.871 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 18.076 33.868 13.501 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 17.104 34.558 14.216 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 15.751 34.495 13.870 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 15.349 33.726 12.784 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.301 33.025 12.049 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 17.660 33.093 12.402 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 18.639 32.397 11.691 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 19.970 32.489 12.085 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 21.777 35.277 15.201 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 21.840 33.749 14.999 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 21.637 33.387 13.585 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 22.533 34.045 12.625 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 22.450 35.580 12.787 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 22.711 35.972 14.227 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 22.601 36.989 14.329 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 23.682 35.747 14.473 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
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@@ -13485,7 +16148,7 @@
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"backgroundColor": "black",
"labelText": [
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+ "-7.0 kcal/mol"
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@@ -13500,7 +16163,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.123 35.720 17.360 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 19.357 35.745 16.434 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 19.044 35.371 14.965 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 17.954 34.231 14.959 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 17.772 33.436 13.627 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 19.098 33.067 13.065 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 19.515 32.092 12.190 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.859 32.298 11.944 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 21.307 33.398 12.645 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 22.542 34.041 12.697 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 22.623 35.183 13.509 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 21.526 35.643 14.254 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 20.299 34.967 14.221 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 20.225 33.857 13.370 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 16.629 34.781 15.550 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 16.841 35.917 16.551 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 21.427 31.748 11.311 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 16.217 33.994 16.064 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 19.137 39.223 19.525 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 19.363 38.028 20.153 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 19.752 37.990 21.317 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 19.171 36.879 19.365 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 18.219 36.887 18.344 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 17.423 37.818 18.176 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 18.530 39.228 18.710 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 18.356 41.547 19.812 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 19.405 40.501 20.160 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 19.896 35.637 19.728 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 21.396 35.528 19.393 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 21.981 34.134 19.590 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 22.371 33.527 18.252 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 21.215 32.938 17.476 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 23.139 34.503 17.397 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 23.014 32.743 18.436 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 15.552 35.192 14.553 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 14.173 35.014 15.104 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 13.213 34.262 14.546 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.430 32.668 12.059 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 16.648 33.678 11.624 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 16.347 33.761 10.312 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 15.527 34.787 9.858 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 15.188 34.916 8.507 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 15.675 34.003 7.580 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.500 32.965 8.007 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 16.837 32.840 9.366 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 17.654 31.809 9.828 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 17.952 31.722 11.184 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 17.029 34.762 14.447 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 16.749 33.252 14.312 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 17.727 32.603 13.422 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 19.139 32.811 13.770 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 19.446 34.323 13.869 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 18.481 34.994 14.824 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 18.663 36.005 14.838 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 18.642 34.644 15.776 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
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@@ -13521,7 +16184,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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@@ -13536,7 +16199,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.705 35.239 19.027 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.941 34.824 18.207 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 19.728 33.451 17.593 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 18.554 33.447 16.611 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 18.955 33.885 15.157 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.723 33.932 14.316 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 17.498 33.850 12.963 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 16.134 33.945 12.760 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 15.475 34.079 13.966 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 14.124 34.204 14.312 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 13.816 34.338 15.678 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 14.810 34.351 16.665 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.152 34.220 16.306 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 16.459 34.083 14.940 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.355 34.244 17.165 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.420 35.024 18.261 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 15.489 33.915 11.465 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 20.992 32.844 17.070 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 19.418 32.839 18.358 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 19.587 36.957 20.536 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 18.864 36.717 19.389 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 18.394 37.612 18.694 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 20.009 36.192 21.049 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 19.794 38.318 21.045 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 18.773 39.451 23.115 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 19.627 38.315 22.575 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 21.156 38.876 20.585 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 21.287 38.848 19.169 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 21.324 37.914 18.895 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.994 35.133 15.265 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.545 34.227 14.211 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 17.408 33.185 14.525 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 17.929 32.342 13.598 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 17.565 32.561 12.320 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 18.049 31.744 11.304 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 17.703 31.927 9.959 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.833 32.981 9.666 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 16.317 33.827 10.646 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.685 33.619 11.997 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 16.168 34.461 12.934 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 15.490 34.772 10.065 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 15.491 34.522 8.782 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 16.290 33.446 8.485 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 16.547 32.866 7.192 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 14.809 35.216 7.867 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 14.246 35.996 8.193 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 14.791 35.046 6.872 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13557,7 +16220,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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@@ -13572,7 +16235,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.528 33.300 17.233 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.280 33.187 15.838 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 19.575 32.950 15.371 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.912 34.849 15.479 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 20.219 35.989 14.718 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.150 37.136 15.527 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 19.774 36.794 16.796 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 19.552 37.462 18.000 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 19.234 36.642 19.115 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 19.157 35.236 19.033 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 19.372 34.648 17.807 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 19.646 35.440 16.737 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.358 38.079 15.219 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 18.511 33.742 14.049 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 18.315 34.756 14.051 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 17.533 33.096 13.105 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 15.315 34.087 13.730 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 16.454 34.099 12.722 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.311 33.559 13.406 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 21.647 33.359 14.726 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 21.343 33.239 16.592 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 22.530 32.182 14.264 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 24.090 32.761 13.538 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 24.354 31.437 12.333 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.094 29.939 6.339 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.711 31.115 7.180 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 15.830 32.084 6.718 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 15.458 33.164 7.449 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 15.993 33.264 8.681 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 15.666 34.338 9.501 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 16.193 34.491 10.790 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 17.077 33.504 11.236 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 17.436 32.407 10.454 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.889 32.279 9.155 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 17.257 31.198 8.413 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 18.321 31.602 11.150 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 18.501 32.174 12.312 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 17.771 33.331 12.416 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 17.704 34.237 13.535 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 19.292 31.704 13.281 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 19.790 30.837 13.101 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 19.450 32.123 14.185 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
"type": "blob"
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@@ -13593,7 +16256,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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@@ -13608,7 +16271,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.132 32.914 16.043 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.696 33.564 17.060 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 18.334 33.416 15.718 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.328 35.023 15.319 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 19.206 36.340 14.846 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.431 37.014 14.991 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 21.353 36.192 15.577 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 22.692 36.282 15.956 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 23.269 35.095 16.482 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 22.553 33.887 16.607 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 21.229 33.879 16.228 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 20.674 35.025 15.754 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.610 37.966 14.695 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 17.393 34.821 16.524 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 17.829 35.745 16.673 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 16.149 34.768 17.369 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 14.059 36.122 17.065 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 15.529 36.156 17.453 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.961 34.742 14.655 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 18.199 33.835 13.555 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 19.757 32.940 14.154 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 17.366 32.891 12.663 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 17.587 33.270 10.901 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 16.008 34.098 10.586 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.984 32.057 11.318 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 16.984 32.741 12.037 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.289 33.632 13.076 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 16.328 34.271 13.787 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 16.731 35.107 14.769 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 18.062 35.311 15.049 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 19.041 34.687 14.358 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 18.653 33.854 13.379 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 19.635 33.206 12.642 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 19.316 32.318 11.612 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 15.152 32.413 11.584 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 17.596 31.177 10.261 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 17.790 30.189 10.407 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 16.571 32.722 7.164 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 16.142 31.258 6.983 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 16.538 30.603 8.232 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 17.114 31.524 9.060 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 17.175 32.766 8.499 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 16.381 29.636 8.485 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 17.730 33.521 8.878 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
"type": "blob"
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@@ -13629,7 +16292,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.8 kcal/mol"
+ "-6.9 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13644,7 +16307,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.953 32.538 11.331 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.086 31.908 10.884 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 18.959 31.730 11.843 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.373 32.285 12.965 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.110 32.814 12.675 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.340 33.445 13.692 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 15.060 34.019 13.512 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 14.394 34.611 14.584 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.993 34.634 15.836 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 16.258 34.068 16.014 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.951 33.471 14.971 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 18.159 32.958 15.245 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.890 32.365 14.276 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 20.124 31.861 14.616 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 20.427 31.955 15.571 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.680 31.417 13.900 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 15.838 32.853 10.458 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.802 33.108 7.961 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.208 33.770 9.279 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 15.545 35.145 9.392 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.541 32.898 7.195 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 16.321 33.424 8.519 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 16.874 32.951 9.688 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 16.354 33.788 10.673 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 16.725 33.578 12.024 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.610 32.531 12.355 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 18.098 31.726 11.333 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 17.753 31.905 9.984 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 17.985 32.300 13.626 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 17.485 33.108 14.590 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 16.613 34.158 14.356 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.224 34.398 13.047 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 15.517 34.732 10.118 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 15.515 34.493 8.831 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 14.829 35.181 7.914 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 14.257 35.958 8.227 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 14.825 34.998 6.920 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13665,7 +16328,7 @@
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"backgroundColor": "black",
"labelText": [
- "-7.8 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13680,7 +16343,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 22.174 33.323 16.961 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 20.797 33.296 16.927 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 21.009 34.723 15.609 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 20.748 36.066 15.307 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 21.384 36.428 14.107 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 22.072 35.365 13.589 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 22.814 35.108 12.435 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 23.237 33.763 12.243 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 22.923 32.725 13.145 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 22.240 33.060 14.289 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 21.855 34.368 14.492 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 21.486 32.482 15.397 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 21.302 37.336 13.666 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 21.299 34.739 17.914 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 22.088 36.011 17.975 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 21.258 34.427 18.897 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 20.005 32.555 15.050 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 18.845 33.624 16.059 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 19.420 34.876 17.400 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 16.516 34.491 15.592 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.840 34.377 15.177 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 18.240 34.923 14.145 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 14.709 34.264 13.904 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 15.595 35.210 14.701 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 15.983 34.083 16.901 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 15.075 35.122 17.543 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.876 34.400 14.602 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.314 34.473 15.922 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.640 34.189 16.261 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 16.509 33.826 15.224 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 16.100 33.742 13.890 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 14.757 34.038 13.577 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 17.235 33.338 13.122 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 18.294 33.187 14.007 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.843 33.489 15.260 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 19.553 32.806 13.723 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 19.766 32.562 12.417 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 18.788 32.667 11.431 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 17.494 33.068 11.770 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 18.422 33.454 16.084 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 21.035 32.121 12.082 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 21.645 32.076 12.890 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 21.436 32.469 11.225 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
"type": "blob"
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@@ -13701,7 +16364,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-6.9 kcal/mol"
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"sele": "@0",
@@ -13716,7 +16379,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.054 33.710 14.831 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.278 34.976 15.242 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.190 35.071 16.755 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 16.574 35.202 17.395 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 17.089 36.684 17.468 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 18.476 36.680 18.021 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.241 37.625 18.662 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 20.460 37.044 18.957 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 20.488 35.733 18.523 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 21.458 34.726 18.578 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.133 33.483 18.005 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 19.894 33.248 17.396 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 18.935 34.261 17.352 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.259 35.503 17.929 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.592 34.249 16.735 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.345 33.563 15.602 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 21.555 37.717 19.622 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 14.181 36.075 17.219 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 14.848 34.158 17.081 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 17.361 33.001 12.883 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 16.341 33.810 13.331 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 15.695 34.546 12.592 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 17.831 32.363 13.515 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 17.790 33.010 11.479 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 20.077 32.967 12.656 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 19.281 32.630 11.405 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 16.889 32.098 10.622 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 17.638 31.089 9.958 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 18.205 31.528 9.298 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.883 35.391 16.131 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.901 35.827 16.975 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.246 35.637 16.645 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 16.530 34.991 15.435 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 15.531 34.541 14.566 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 14.183 34.749 14.923 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 16.182 33.929 13.451 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 17.549 34.022 13.674 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.739 34.666 14.863 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 18.542 33.566 12.889 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 18.114 32.965 11.765 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 16.773 32.799 11.427 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 15.773 33.290 12.271 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 18.648 34.857 15.254 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 19.099 32.437 10.946 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 20.027 32.615 11.310 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 18.972 32.528 9.950 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
"type": "blob"
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@@ -13737,7 +16400,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.8 kcal/mol"
+ "-6.9 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13752,7 +16415,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.032 32.865 10.082 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.075 32.555 10.199 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.891 32.647 11.160 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 16.553 33.087 12.476 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 15.358 33.774 12.809 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 15.091 34.180 14.117 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 16.015 33.911 15.115 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 17.198 33.245 14.810 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 17.482 32.835 13.517 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 18.652 32.214 13.317 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 18.949 31.818 12.068 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 18.122 32.012 10.981 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 15.700 34.409 16.729 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 16.286 33.826 9.015 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 15.416 35.062 9.244 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 15.974 33.129 7.674 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 15.604 31.650 7.819 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.726 30.756 7.291 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 16.226 29.331 7.094 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.458 28.825 7.960 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 14.268 28.563 5.742 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 14.709 29.299 6.994 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 16.908 28.623 5.928 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 18.162 29.382 5.536 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.946 32.506 10.586 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 16.947 33.394 11.031 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 16.657 33.569 12.393 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 15.678 34.402 12.822 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 15.479 34.494 14.156 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 16.233 33.775 15.054 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 17.213 32.937 14.654 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 17.421 32.837 13.332 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 18.429 31.992 12.888 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 18.705 31.825 11.529 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 15.945 34.368 9.722 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 18.196 32.394 9.183 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 18.808 33.099 8.780 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 16.171 30.025 7.362 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 17.275 30.386 6.357 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 18.122 31.344 7.071 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 17.623 31.536 8.328 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 16.489 30.812 8.557 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 18.971 31.775 6.730 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 15.881 30.967 9.349 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
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@@ -13773,7 +16436,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.7 kcal/mol"
+ "-6.8 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13788,7 +16451,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.379 34.115 15.711 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.057 32.838 14.855 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 17.627 32.837 14.272 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.286 34.173 13.563 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 15.818 34.182 13.018 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 14.862 34.369 14.137 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 13.537 34.053 14.319 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.155 34.552 15.549 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.222 35.176 16.160 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.344 35.848 17.377 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.600 36.403 17.675 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 16.691 36.276 16.804 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.561 35.570 15.603 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 15.294 35.054 15.293 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.612 35.304 14.581 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 18.908 35.364 14.962 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 17.406 31.605 13.446 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 16.988 32.783 15.078 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 12.222 34.495 15.938 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 22.671 34.140 17.371 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 21.339 33.850 17.165 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 20.663 33.182 17.945 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 20.788 34.304 15.999 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 21.290 35.007 15.483 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 24.642 32.945 18.267 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 23.306 33.603 18.579 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 23.528 34.953 16.501 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 23.629 36.388 16.995 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.718 34.913 14.779 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 17.887 34.383 14.367 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 17.918 33.662 13.226 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 19.122 33.127 12.783 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 19.205 32.372 11.609 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 18.062 32.140 10.853 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.842 32.663 11.273 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 16.766 33.422 12.454 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 15.561 33.967 12.900 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 15.537 34.718 14.071 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 18.889 35.268 17.106 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 18.001 36.264 16.332 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 16.711 35.656 15.962 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 15.942 35.071 17.070 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 16.807 34.039 17.830 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 18.115 34.667 18.264 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 18.699 33.955 18.721 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 17.929 35.398 18.961 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
"type": "blob"
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@@ -13809,7 +16472,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.7 kcal/mol"
+ "-6.8 kcal/mol"
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"sele": "@0",
@@ -13824,7 +16487,7 @@
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{
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_2 and N_16\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.262 32.812 13.001 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 19.093 32.395 11.951 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 18.639 32.090 10.719 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 17.315 32.168 10.483 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 16.424 32.554 11.476 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 16.900 32.878 12.748 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 16.936 31.822 9.216 0.00 0.00 -0.325 N \nATOM 8 H UNL 1 17.710 31.556 8.620 0.00 0.00 +0.148 HD\nENDROOT\nBRANCH 1 11\nATOM 9 C UNL 1 18.823 34.361 14.875 0.00 0.00 +0.405 C \nATOM 10 O UNL 1 18.243 35.380 14.535 0.00 0.00 -0.226 OA\nATOM 11 N UNL 1 18.853 33.162 14.228 0.00 0.00 -0.248 N \nATOM 12 H UNL 1 19.395 32.441 14.686 0.00 0.00 +0.158 HD\nBRANCH 9 13\nATOM 13 O UNL 1 19.552 34.244 16.018 0.00 0.00 -0.450 OA\nBRANCH 13 15\nATOM 14 C UNL 1 21.437 33.176 17.025 0.00 0.00 +0.048 C \nATOM 15 C UNL 1 20.195 32.974 16.180 0.00 0.00 +0.230 C \nENDBRANCH 13 15\nENDBRANCH 9 13\nENDBRANCH 1 11\nBRANCH 2 16\nATOM 16 N UNL 1 20.470 32.263 12.131 0.00 0.00 -0.342 N \nATOM 17 H UNL 1 20.742 31.697 12.922 0.00 0.00 +0.144 HD\nATOM 18 H UNL 1 20.905 32.000 11.252 0.00 0.00 +0.144 HD\nENDBRANCH 2 16\nBRANCH 7 19\nATOM 19 C UNL 1 15.647 32.084 8.631 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 15.251 30.938 7.728 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 16.184 30.370 6.845 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 15.813 29.316 6.008 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.510 28.836 6.045 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 13.568 29.389 6.904 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 13.937 30.440 7.746 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 14.156 27.826 5.239 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 7 19\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.352 32.717 11.075 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 17.191 33.075 11.851 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 17.186 33.757 13.047 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 15.837 33.849 13.380 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 15.466 34.506 14.580 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 16.459 35.056 15.416 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 17.789 34.936 15.036 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 18.194 34.292 13.855 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 16.144 35.687 16.562 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 14.835 35.780 16.896 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 13.797 35.271 16.135 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 14.117 34.619 14.953 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 15.055 33.243 12.421 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 15.888 32.790 11.518 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 15.547 32.131 10.407 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 14.562 31.961 10.234 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 16.188 31.780 9.709 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13845,7 +16508,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.7 kcal/mol"
+ "-6.8 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13860,7 +16523,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.119 34.788 18.517 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 19.774 34.689 18.233 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 20.276 35.565 16.559 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 20.114 36.702 15.756 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.980 36.644 14.650 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 21.727 35.497 14.685 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 22.672 34.882 13.862 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 23.088 33.576 14.246 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 22.578 32.912 15.380 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 21.695 33.600 16.178 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 21.313 34.876 15.825 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 20.725 33.418 17.253 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 21.010 37.332 13.908 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 20.113 36.409 18.718 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 20.909 37.654 18.472 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 19.874 36.463 19.720 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 19.342 33.297 16.627 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 18.037 34.602 16.950 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 18.374 36.271 17.841 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 15.854 35.033 15.748 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.243 34.948 15.684 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 17.855 35.208 14.644 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 14.620 34.109 13.802 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 15.145 35.354 14.502 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 15.042 34.970 16.972 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 14.174 36.201 17.194 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 22.545 34.183 14.043 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 21.198 33.822 13.678 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 20.042 34.415 14.134 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 19.024 33.713 13.492 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 17.676 34.071 13.740 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.381 35.128 14.626 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 18.434 35.794 15.239 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 19.781 35.467 15.017 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 16.114 35.496 14.886 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 15.117 34.819 14.268 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 15.315 33.772 13.384 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.621 33.389 13.114 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 19.547 32.731 12.679 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 20.847 32.818 12.808 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 21.743 32.045 12.188 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 21.402 31.325 11.560 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 22.747 32.109 12.286 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13881,7 +16544,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-6.8 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13896,7 +16559,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.467 32.640 12.080 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.511 32.330 11.966 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.895 32.863 13.391 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 16.158 33.707 14.275 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 14.964 34.389 13.925 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 14.294 35.203 14.839 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 14.807 35.354 16.118 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 15.980 34.701 16.482 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 16.662 33.890 15.588 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 17.790 33.315 16.023 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 18.469 32.533 15.168 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 18.073 32.287 13.869 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 13.993 36.357 17.252 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 17.127 33.188 10.901 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 16.204 34.220 10.251 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 17.447 32.011 9.956 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.639 32.028 8.654 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 17.101 30.913 7.715 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 16.005 29.869 7.546 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 15.963 29.353 8.435 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 13.531 29.507 7.501 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 14.645 30.533 7.393 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 16.304 28.876 6.428 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 17.594 29.268 5.732 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.972 32.628 11.968 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 15.979 33.380 12.777 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 15.601 34.388 13.655 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 16.484 35.093 14.406 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 17.783 34.768 14.265 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 18.756 35.438 14.996 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 20.121 35.139 14.888 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 20.479 34.121 14.000 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 19.543 33.417 13.243 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 18.171 33.741 13.373 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 17.278 33.039 12.623 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 20.183 32.475 12.458 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 21.460 32.589 12.717 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 21.694 33.573 13.645 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 22.962 33.994 14.185 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 22.422 31.850 12.157 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 22.140 31.147 11.480 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 23.413 31.915 12.336 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
"type": "blob"
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@@ -13917,7 +16580,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.6 kcal/mol"
+ "-6.8 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -13932,7 +16595,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.353 33.609 13.698 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 20.785 34.243 13.590 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 21.479 34.427 14.958 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 21.423 33.137 15.816 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 22.085 33.347 17.221 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 21.182 34.136 18.094 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 21.381 34.936 19.193 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.140 35.345 19.640 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 19.149 34.822 18.836 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 17.758 34.917 18.881 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 17.040 34.214 17.899 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 17.684 33.466 16.904 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 19.081 33.409 16.853 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.790 34.079 17.860 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 19.930 32.701 15.855 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 19.396 32.409 14.648 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 22.848 35.008 14.770 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 20.919 35.123 15.471 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 19.974 35.921 20.456 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 17.104 32.889 10.866 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 17.544 33.451 12.046 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 16.875 34.238 12.712 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 18.813 33.129 12.440 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 19.258 32.340 12.000 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 15.778 34.669 9.775 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 15.774 33.274 10.383 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 17.834 31.922 10.038 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 17.102 31.634 8.736 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.697 31.814 7.058 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.668 32.669 7.428 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.364 32.177 7.546 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 15.057 30.842 7.306 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.094 29.974 6.938 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 17.415 30.473 6.811 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.709 28.645 6.715 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 14.440 28.225 6.814 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 13.543 29.149 7.174 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 13.789 30.439 7.432 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 16.612 27.668 6.324 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 17.499 27.644 6.804 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 16.157 26.774 6.183 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
"type": "blob"
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@@ -13953,7 +16616,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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@@ -13968,7 +16631,7 @@
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.834 35.333 14.461 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 20.493 35.255 14.154 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 20.347 34.456 15.933 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 19.999 33.310 16.660 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.308 33.484 18.020 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 20.858 34.719 18.233 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 21.290 35.455 19.337 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 21.671 36.803 19.087 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 21.609 37.392 17.807 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 21.231 36.592 16.755 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 20.890 35.278 16.990 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 20.787 36.642 15.366 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 20.105 32.808 18.745 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 21.206 33.593 13.954 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 21.966 32.465 14.579 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 21.418 33.506 12.948 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 19.265 36.581 15.353 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 18.381 35.115 14.592 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 19.256 33.503 14.019 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 15.957 34.428 14.804 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.176 34.670 15.431 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 17.327 34.473 16.641 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 13.509 34.598 15.187 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 14.835 34.018 15.659 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 15.722 34.407 13.353 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 15.857 33.024 12.731 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.742 35.073 16.964 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 15.460 34.601 15.632 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 16.387 34.241 14.680 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 15.618 33.864 13.581 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 16.268 33.428 12.400 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.676 33.379 12.350 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 18.395 33.767 13.474 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 17.785 34.204 14.661 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 18.328 32.971 11.247 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 17.589 32.603 10.173 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 16.205 32.619 10.135 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 15.529 33.040 11.271 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 14.274 33.993 13.860 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 14.207 34.435 15.090 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 13.083 34.699 15.762 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 12.197 34.549 15.291 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 13.029 35.040 16.711 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -13989,7 +16652,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-6.7 kcal/mol"
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"labelType": "text",
"sele": "@0",
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"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.350 31.358 7.488 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 15.534 31.825 6.491 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.094 33.032 6.743 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 15.637 33.360 7.971 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 16.427 32.320 8.475 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.072 32.449 9.738 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 17.884 31.465 10.347 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 18.469 31.701 11.590 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 18.251 32.912 12.232 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 17.447 33.885 11.631 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.849 33.685 10.396 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 16.095 34.680 9.906 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 15.480 34.552 8.710 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 14.716 35.604 8.262 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 14.651 36.423 8.843 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 14.252 35.520 7.370 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 16.961 30.042 7.446 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 18.344 29.297 5.488 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.926 29.382 6.056 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.303 27.984 6.102 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.883 36.015 17.297 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.254 35.368 16.105 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 14.877 35.372 15.917 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 14.268 34.797 14.850 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 15.075 34.201 13.951 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 14.537 33.587 12.826 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 15.330 32.954 11.860 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.712 32.962 12.069 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 17.302 33.564 13.178 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.476 34.196 14.139 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 17.079 34.776 15.213 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 18.677 33.415 13.120 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 18.927 32.750 12.022 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 17.771 32.450 11.347 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 17.634 31.733 10.105 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 20.146 32.402 11.602 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 20.938 32.674 12.178 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 20.370 31.890 10.761 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -14025,7 +16688,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-6.7 kcal/mol"
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@@ -14040,7 +16703,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.814 33.971 13.079 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 14.874 33.434 12.237 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.410 32.634 11.352 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 16.766 32.663 11.619 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.056 33.507 12.698 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 18.400 33.689 13.131 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 18.810 34.520 14.199 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 20.158 34.621 14.538 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 21.103 33.900 13.821 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 20.698 33.080 12.764 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 19.367 32.955 12.397 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.081 32.144 11.369 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 17.806 31.978 10.957 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 17.577 31.136 9.893 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 18.368 30.681 9.470 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 16.628 31.005 9.575 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.471 34.894 14.145 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.671 34.797 16.645 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.960 34.209 15.425 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.445 34.357 15.588 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.186 32.812 13.162 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 18.815 33.368 14.403 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.596 34.037 14.586 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 17.249 34.595 15.771 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 16.051 35.219 15.839 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 15.208 35.292 14.755 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 15.529 34.746 13.562 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 16.715 34.122 13.482 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 17.070 33.540 12.273 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 18.289 32.880 12.104 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 20.037 33.218 15.869 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 20.438 32.130 13.057 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 20.468 31.189 13.440 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 23.270 34.102 11.996 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 23.791 32.660 11.899 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 22.658 31.831 12.316 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 21.597 32.638 12.615 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 21.887 33.963 12.464 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 22.624 30.820 12.344 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 21.298 34.705 12.815 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
"type": "blob"
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@@ -14061,7 +16724,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.5 kcal/mol"
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"labelType": "text",
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@@ -14076,7 +16739,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.980 34.599 15.206 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 17.685 34.435 16.370 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 18.737 33.674 16.202 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.706 33.312 14.869 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.603 33.871 14.213 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.377 33.612 12.831 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 16.296 34.115 12.070 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 16.175 33.797 10.719 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 17.124 32.981 10.117 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 18.192 32.484 10.869 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 18.345 32.778 12.216 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.402 32.250 12.849 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 19.610 32.492 14.161 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 20.710 31.919 14.756 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 21.311 31.347 14.188 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.876 32.093 15.736 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.770 35.397 15.131 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 14.175 35.972 16.982 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.622 34.875 16.014 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.428 34.402 15.180 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.209 31.990 12.023 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 18.612 32.463 13.246 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 17.370 33.045 13.377 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 17.266 33.320 14.739 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 16.087 33.934 15.231 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 15.040 34.257 14.343 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 15.197 33.961 12.995 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.350 33.353 12.473 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 13.907 34.840 14.773 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 13.796 35.112 16.095 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 14.772 34.829 17.035 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 15.943 34.228 16.596 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 18.404 32.919 15.405 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 19.191 32.411 14.492 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 20.406 31.899 14.709 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 20.762 31.898 15.659 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 21.015 31.507 14.005 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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@@ -14097,7 +16760,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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@@ -14112,7 +16775,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.489 34.122 17.865 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 16.933 33.776 16.654 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 18.341 34.916 15.918 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 18.623 36.074 15.182 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.007 36.319 15.175 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 20.670 35.357 15.888 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 22.001 35.047 16.171 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 22.231 33.824 16.860 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 21.191 32.947 17.233 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 19.900 33.344 16.976 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 19.673 34.543 16.335 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 18.530 32.846 16.907 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 20.453 37.075 14.670 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 16.388 35.465 17.051 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 16.784 36.868 17.396 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 15.457 35.358 17.483 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 18.221 32.509 15.455 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.916 33.468 14.514 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 16.066 35.063 15.168 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 16.433 33.649 12.039 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.353 33.777 13.076 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 18.496 34.196 12.873 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 15.906 34.765 9.884 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 16.910 33.944 10.681 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 14.995 33.383 12.189 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 14.583 31.983 11.757 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.422 33.039 9.227 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.999 33.082 10.605 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 18.337 32.791 10.843 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 18.898 32.818 12.078 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 18.082 33.149 13.097 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 18.573 33.203 14.397 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 17.769 33.541 15.494 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.427 33.831 15.231 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 15.885 33.793 13.948 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.721 33.447 12.859 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 16.166 33.416 11.615 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 14.542 34.122 13.992 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 14.264 34.355 15.249 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 15.371 34.193 16.043 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 15.467 34.359 17.471 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 13.061 34.706 15.712 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 12.307 34.800 15.038 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 12.817 34.892 16.674 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
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"labelText": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.993 33.031 10.576 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.033 32.793 10.789 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.896 32.983 11.641 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 16.510 33.385 12.955 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 15.220 33.865 13.301 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 14.910 34.246 14.607 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 15.884 34.157 15.590 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 17.157 33.696 15.273 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 17.486 33.316 13.982 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 18.741 32.899 13.768 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 19.080 32.535 12.520 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 18.213 32.565 11.447 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 15.516 34.626 17.203 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 16.231 33.759 9.335 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 15.530 35.115 9.414 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 15.698 32.891 8.175 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.799 32.195 7.370 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.731 30.679 7.554 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 16.148 30.016 6.314 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.239 30.703 5.553 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 18.381 29.271 5.469 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 16.993 28.824 5.890 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 14.672 29.665 6.470 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 14.371 28.385 5.714 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.156 32.816 11.027 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 16.684 33.055 12.332 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.529 33.014 13.452 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 17.071 33.217 14.711 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 17.970 33.152 15.718 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 19.301 32.888 15.489 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 19.783 32.681 14.245 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 18.901 32.744 13.235 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 19.367 32.546 11.943 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 18.514 32.587 10.838 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 14.821 33.425 12.572 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 16.238 32.893 9.934 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 15.469 33.549 10.042 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 16.560 30.373 7.370 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 15.610 31.399 6.734 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 15.465 32.444 7.751 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 16.219 32.117 8.842 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 16.868 30.926 8.692 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 14.936 33.302 7.668 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 17.313 30.435 9.456 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
"type": "blob"
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@@ -14169,7 +16832,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.4 kcal/mol"
+ "-6.5 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -14184,7 +16847,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.318 32.644 13.139 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.557 32.058 13.119 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 19.153 32.131 14.281 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.266 32.813 15.094 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.101 33.161 14.400 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.060 33.881 15.053 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 14.848 34.291 14.451 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 13.895 34.992 15.189 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.140 35.288 16.523 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 15.339 34.883 17.116 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.310 34.185 16.415 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 17.426 33.844 17.075 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.414 33.166 16.452 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 19.537 32.849 17.181 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 19.572 33.133 18.144 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.282 32.343 16.725 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 16.459 32.697 11.970 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 17.399 32.149 9.708 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 17.144 33.270 10.717 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.310 34.375 10.063 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.401 28.053 5.643 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.131 28.395 6.085 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 13.941 29.578 6.807 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 14.993 30.438 7.099 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.277 30.099 6.650 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 16.472 28.898 5.923 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 17.285 31.016 6.980 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 17.060 32.124 7.699 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 15.792 32.336 8.068 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 14.743 31.550 7.798 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 18.612 30.816 6.627 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 18.793 30.500 5.687 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 19.205 31.562 6.970 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
"type": "blob"
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@@ -14205,7 +16868,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.4 kcal/mol"
+ "-6.5 kcal/mol"
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"sele": "@0",
@@ -14220,7 +16883,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.672 32.260 11.098 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 16.347 32.713 10.506 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 15.301 32.810 11.608 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 15.772 33.583 12.813 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.787 34.013 13.634 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.116 34.666 14.754 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 14.082 35.071 15.588 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 14.319 35.753 16.783 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 15.621 36.038 17.158 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 16.675 35.641 16.335 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.449 34.952 15.115 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.475 34.533 14.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.130 33.784 13.077 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.182 33.279 12.116 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.827 34.747 14.527 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.071 35.425 15.234 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.526 34.590 13.815 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.330 32.517 7.708 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 17.565 32.058 7.269 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.668 30.786 6.695 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.564 29.956 6.542 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 15.315 30.418 6.978 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 15.209 31.704 7.567 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 14.250 29.527 6.789 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 14.403 28.306 6.258 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 15.644 27.983 5.880 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 16.735 28.750 5.989 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 12.955 29.826 7.185 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 12.611 30.750 6.972 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 12.320 29.059 6.997 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
"type": "blob"
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@@ -14241,7 +16904,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-6.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -14256,7 +16919,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.679 32.882 10.768 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.027 32.455 11.326 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 17.548 33.523 12.279 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.530 33.959 13.302 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.042 34.603 14.374 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.207 35.069 15.310 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.763 35.749 16.386 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.978 36.279 17.411 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.603 36.130 17.363 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.022 35.450 16.292 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 14.808 34.901 15.245 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 14.284 34.182 14.133 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 15.160 33.753 13.115 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 14.653 33.023 11.892 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 12.902 34.005 13.978 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.295 34.144 14.773 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.561 33.362 13.278 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.780 33.603 9.604 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 16.444 32.510 8.635 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 15.258 31.877 8.804 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 14.921 30.898 7.945 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 15.755 30.508 6.879 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 16.973 31.178 6.724 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.324 32.191 7.610 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 15.355 29.478 6.005 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 14.143 28.811 6.186 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 13.311 29.223 7.223 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 13.707 30.245 8.093 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 13.724 27.849 5.284 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 14.384 27.466 4.619 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 12.906 27.292 5.496 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
"type": "blob"
}
],
@@ -14277,7 +16940,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-6.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -14292,7 +16955,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.153 32.988 13.239 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 22.009 32.889 14.314 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 21.405 34.710 14.695 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 21.789 36.051 14.823 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.658 36.864 15.012 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 19.517 36.107 15.014 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 18.155 36.335 15.212 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 17.323 35.181 15.266 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 17.825 33.869 15.146 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 19.168 33.721 14.893 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 19.971 34.838 14.810 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 20.243 32.734 14.894 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 20.690 37.863 15.173 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 22.828 33.903 13.044 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 22.763 35.111 12.162 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 23.439 33.252 12.527 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 20.980 32.836 16.222 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 22.768 33.390 16.275 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 23.725 34.100 14.767 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 24.126 34.112 18.282 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 23.041 34.348 17.442 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 22.329 35.348 17.576 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 25.490 36.005 19.132 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 24.330 35.055 19.391 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 25.167 33.093 18.083 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 25.346 32.160 19.272 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.571 29.647 7.109 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 13.817 28.495 6.375 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.103 28.248 5.881 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.158 29.124 6.106 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 15.914 30.286 6.851 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 14.611 30.541 7.347 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 17.026 31.119 7.037 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 18.234 30.854 6.521 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 18.338 29.714 5.829 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 17.361 28.829 5.600 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 16.947 32.316 7.734 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 16.432 32.308 8.601 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 17.836 32.800 7.746 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
"type": "blob"
}
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@@ -14313,7 +16976,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-6.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -14328,7 +16991,7 @@
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{
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.789 32.796 10.234 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.080 32.090 10.084 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.051 33.140 11.562 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 17.363 33.019 12.111 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 18.492 32.545 11.395 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 19.749 32.448 11.995 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 19.898 32.818 13.323 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 18.804 33.279 14.047 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 17.548 33.381 13.470 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 16.551 33.820 14.249 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 15.325 33.917 13.710 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 15.031 33.590 12.402 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 21.439 32.700 14.074 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 16.143 33.627 9.089 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 15.593 35.036 9.311 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 15.555 32.960 7.828 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.522 31.998 7.132 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.136 30.544 7.411 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 15.912 29.791 6.106 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.064 30.475 5.352 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 18.298 29.346 5.505 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 16.975 28.721 5.909 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 14.494 29.244 5.979 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 13.631 29.803 7.094 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.228 35.868 15.917 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 16.999 35.020 14.703 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 18.083 34.427 14.148 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 17.910 33.651 13.063 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 16.645 33.434 12.483 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 15.540 34.056 13.075 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 15.716 34.858 14.198 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 16.516 32.611 11.347 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 17.632 32.012 10.763 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 18.875 32.206 11.360 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 19.005 33.026 12.487 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 17.491 31.148 9.691 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 16.615 31.117 9.185 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 18.316 30.822 9.204 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
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@@ -14349,7 +17012,7 @@
"kwargs": {
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"labelText": [
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+ "-6.2 kcal/mol"
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@@ -14364,7 +17027,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.427 32.141 11.189 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.867 31.332 10.953 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.108 32.791 12.383 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 17.036 32.846 13.467 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 18.327 32.258 13.447 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 19.185 32.345 14.544 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 18.765 33.017 15.683 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 17.501 33.595 15.728 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 16.634 33.517 14.649 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 15.431 34.090 14.790 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 14.574 34.018 13.759 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 14.858 33.388 12.563 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 19.811 33.129 17.042 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 17.193 32.749 10.108 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 16.496 34.038 9.670 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 17.287 31.717 8.965 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.413 32.056 7.753 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 15.307 31.016 7.575 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 15.878 29.716 7.026 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.621 29.432 7.679 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 14.224 28.383 5.707 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 14.841 28.605 7.076 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 16.496 29.883 5.641 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 17.907 29.326 5.644 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_11\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.233 33.752 11.214 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 17.755 32.472 11.084 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.483 31.724 9.933 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.699 32.223 8.899 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.174 33.517 9.024 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 16.444 34.274 10.192 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.397 33.951 7.942 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 15.140 33.187 6.871 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 15.700 31.973 6.871 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 16.474 31.452 7.830 0.00 0.00 -0.235 NA\nENDROOT\nBRANCH 7 11\nATOM 11 N UNL 1 14.789 35.198 7.920 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 15.344 35.984 8.223 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 14.246 35.334 7.076 0.00 0.00 +0.144 HD\nENDBRANCH 7 11\nTORSDOF 1\n",
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@@ -14385,7 +17048,7 @@
"kwargs": {
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"labelText": [
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"sele": "@0",
@@ -14400,7 +17063,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.356 32.685 10.858 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 19.347 32.374 11.968 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 19.262 33.448 13.045 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 17.853 33.733 13.495 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.753 34.379 14.678 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.541 34.717 15.132 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.474 35.403 16.337 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.259 35.806 16.894 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.078 35.520 16.231 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.121 34.831 15.018 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 15.349 34.410 14.444 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 15.463 33.691 13.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.745 33.397 12.711 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.926 32.672 11.396 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 14.327 33.381 12.459 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 13.417 33.423 12.893 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 14.411 32.737 11.685 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.617 35.485 14.920 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 15.680 34.716 14.195 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 16.965 34.950 14.553 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 17.943 34.268 13.929 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 17.679 33.323 12.919 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 16.344 33.097 12.568 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 15.331 33.800 13.212 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 18.739 32.633 12.297 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 20.065 32.883 12.650 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 20.316 33.795 13.670 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 19.265 34.484 14.287 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 21.096 32.153 12.086 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 20.921 31.593 11.261 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 22.054 32.430 12.260 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
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@@ -14421,7 +17084,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-6.1 kcal/mol"
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@@ -14436,7 +17099,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.659 32.168 10.349 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.066 33.550 10.127 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 16.107 33.884 11.263 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.693 33.641 12.630 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 16.047 34.260 13.643 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.468 34.062 14.897 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.767 34.691 15.918 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 16.122 34.544 17.260 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.203 33.747 17.595 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.922 33.105 16.587 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 17.576 33.250 15.217 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 18.276 32.639 14.139 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.788 32.794 12.824 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.466 32.133 11.646 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 19.364 31.788 14.377 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.823 31.815 15.276 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.942 31.495 13.602 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.364 27.671 6.040 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 15.807 29.016 6.398 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 16.695 30.015 6.615 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 16.228 31.238 6.928 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 14.852 31.515 7.038 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 13.954 30.467 6.807 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 14.434 29.203 6.483 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 14.413 32.813 7.366 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 15.324 33.841 7.608 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 16.682 33.567 7.466 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 17.120 32.277 7.143 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 14.887 35.129 7.860 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 13.915 35.291 8.090 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 15.554 35.831 8.153 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
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@@ -14457,7 +17120,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.1 kcal/mol"
+ "-6.1 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -14472,7 +17135,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.630 27.998 5.574 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 14.205 28.526 5.582 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 13.897 29.146 6.940 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 14.951 30.115 7.407 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.556 30.953 8.392 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.442 31.816 8.902 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.013 32.645 9.930 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.860 33.574 10.535 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.172 33.680 10.106 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.626 32.858 9.073 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.773 31.912 8.446 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.165 31.056 7.378 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.250 30.100 6.890 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.626 29.138 5.786 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.481 31.065 6.894 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.078 31.851 7.105 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 18.697 30.572 6.039 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.750 35.449 14.717 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 16.144 34.981 14.426 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 16.292 34.044 13.459 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 17.532 33.610 13.167 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 18.677 34.092 13.829 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 18.498 35.061 14.823 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.218 35.512 15.126 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 19.954 33.606 13.484 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 20.111 32.629 12.501 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 18.977 32.180 11.830 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 17.708 32.660 12.173 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 21.372 32.207 12.118 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 22.172 32.436 12.694 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 21.462 31.415 11.496 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
"type": "blob"
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@@ -14493,7 +17156,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.1 kcal/mol"
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@@ -14508,7 +17171,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_11\nREMARK 2 A between atoms: C_11 and C_12\nREMARK 3 A between atoms: C_12 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.529 31.874 7.368 0.00 0.00 -0.017 C \nATOM 2 C UNL 1 17.895 31.896 7.166 0.00 0.00 +0.087 C \nATOM 3 N UNL 1 18.262 30.714 6.577 0.00 0.00 -0.360 N \nATOM 4 C UNL 1 17.157 29.922 6.378 0.00 0.00 +0.047 C \nATOM 5 C UNL 1 17.057 28.647 5.808 0.00 0.00 +0.026 C \nATOM 6 C UNL 1 15.790 28.063 5.746 0.00 0.00 +0.002 C \nATOM 7 C UNL 1 14.670 28.727 6.237 0.00 0.00 +0.001 C \nATOM 8 C UNL 1 14.786 30.001 6.803 0.00 0.00 +0.010 C \nATOM 9 C UNL 1 16.054 30.616 6.874 0.00 0.00 +0.003 C \nATOM 10 H UNL 1 19.207 30.451 6.325 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 11\nATOM 11 C UNL 1 15.706 32.959 7.976 0.00 0.00 +0.088 C \nBRANCH 11 12\nATOM 12 C UNL 1 16.283 33.400 9.326 0.00 0.00 +0.135 C \nBRANCH 12 14\nATOM 13 C UNL 1 17.624 32.006 10.904 0.00 0.00 +0.190 C \nATOM 14 N UNL 1 16.250 32.272 10.348 0.00 0.00 +0.231 N \nATOM 15 C UNL 1 15.257 32.503 11.454 0.00 0.00 +0.190 C \nATOM 16 H UNL 1 15.967 31.414 9.854 0.00 0.00 +0.203 HD\nENDBRANCH 12 14\nENDBRANCH 11 12\nENDBRANCH 1 11\nTORSDOF 3\n",
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@@ -31196,7 +34067,7 @@
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],
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"ext": "pdb"
},
"methodName": "loadFile",
@@ -31206,11 +34077,34 @@
},
{
"args": [
- "cartoon"
+ {
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+ "data": "REMARK Name = =\nREMARK 7 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and O_22\nREMARK 2 A between atoms: C_2 and O_23\nREMARK 3 A between atoms: N_11 and C_13\nREMARK 4 A between atoms: O_23 and C_24\nREMARK 5 A between atoms: C_24 and C_25\nREMARK 6 A between atoms: C_25 and C_26\nREMARK 7 A between atoms: C_26 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.942 33.841 11.718 0.00 0.00 +0.164 C \nATOM 2 C UNL 1 17.235 33.311 11.663 0.00 0.00 +0.163 C \nATOM 3 C UNL 1 17.938 33.112 12.856 0.00 0.00 +0.062 C \nATOM 4 C UNL 1 17.404 33.485 14.114 0.00 0.00 +0.044 C \nATOM 5 C UNL 1 16.113 34.016 14.159 0.00 0.00 +0.080 C \nATOM 6 C UNL 1 15.415 34.196 12.969 0.00 0.00 +0.078 C \nATOM 7 N UNL 1 15.506 34.346 15.301 0.00 0.00 -0.235 NA\nATOM 8 C UNL 1 16.179 34.113 16.433 0.00 0.00 +0.223 C \nATOM 9 N UNL 1 17.413 33.610 16.524 0.00 0.00 -0.220 NA\nATOM 10 C UNL 1 18.035 33.334 15.365 0.00 0.00 +0.134 C \nATOM 11 N UNL 1 19.352 32.875 15.523 0.00 0.00 -0.299 N \nATOM 12 H UNL 1 19.502 32.662 16.507 0.00 0.00 +0.154 HD\nENDROOT\nBRANCH 11 13\nATOM 13 C UNL 1 20.537 33.244 14.862 0.00 0.00 +0.034 C \nATOM 14 C UNL 1 21.365 32.236 14.348 0.00 0.00 +0.046 C \nATOM 15 C UNL 1 22.541 32.562 13.668 0.00 0.00 +0.078 C \nATOM 16 C UNL 1 22.905 33.897 13.514 0.00 0.00 +0.142 C \nATOM 17 C UNL 1 22.111 34.909 14.040 0.00 0.00 +0.041 C \nATOM 18 C UNL 1 20.930 34.582 14.712 0.00 0.00 +0.026 C \nATOM 19 F UNL 1 24.022 34.234 12.852 0.00 0.00 -0.204 F \nATOM 20 CL UNL 1 23.516 31.306 13.011 0.00 0.00 -0.081 Cl\nENDBRANCH 11 13\nBRANCH 1 22\nATOM 21 C UNL 1 15.627 35.056 9.688 0.00 0.00 +0.277 C \nATOM 22 O UNL 1 15.246 33.982 10.545 0.00 0.00 -0.491 OA\nENDBRANCH 1 22\nBRANCH 2 23\nATOM 23 O UNL 1 17.934 32.894 10.562 0.00 0.00 -0.488 OA\nBRANCH 23 24\nATOM 24 C UNL 1 17.607 31.626 10.005 0.00 0.00 +0.234 C \nBRANCH 24 25\nATOM 25 C UNL 1 17.330 31.854 8.519 0.00 0.00 +0.092 C \nBRANCH 25 26\nATOM 26 C UNL 1 15.853 31.665 8.210 0.00 0.00 +0.134 C \nBRANCH 26 27\nATOM 27 N UNL 1 15.515 30.270 7.739 0.00 0.00 +0.239 N \nATOM 28 C UNL 1 14.049 30.062 7.363 0.00 0.00 +0.160 C \nATOM 29 C UNL 1 13.816 28.575 7.062 0.00 0.00 +0.210 C \nATOM 30 O UNL 1 14.686 28.118 6.020 0.00 0.00 -0.369 OA\nATOM 31 C UNL 1 16.069 28.263 6.366 0.00 0.00 +0.210 C \nATOM 32 C UNL 1 16.417 29.734 6.631 0.00 0.00 +0.160 C \nATOM 33 H UNL 1 15.682 29.663 8.553 0.00 0.00 +0.203 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 24 25\nENDBRANCH 23 24\nENDBRANCH 2 23\nTORSDOF 7\n",
+ "type": "blob"
+ }
],
- "component_index": 0,
"kwargs": {
- "sele": "all"
+ "defaultRepresentation": true,
+ "ext": "pdbqt"
+ },
+ "methodName": "loadFile",
+ "reconstruc_color_scheme": false,
+ "target": "Stage",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ "label"
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+ "component_index": 1,
+ "kwargs": {
+ "backgroundColor": "black",
+ "labelText": [
+ "-9.1 kcal/mol"
+ ],
+ "labelType": "text",
+ "sele": "@0",
+ "showBackground": true
},
"methodName": "addRepresentation",
"reconstruc_color_scheme": false,
@@ -31221,7 +34115,7 @@
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_15\nREMARK 2 A between atoms: N_4 and C_19\nREMARK 3 A between atoms: C_19 and C_20\nREMARK 4 A between atoms: C_20 and C_21\nREMARK 5 A between atoms: C_23 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 18.081 34.710 15.610 0.00 0.00 -0.319 N \nATOM 2 C UNL 1 16.623 34.681 15.447 0.00 0.00 +0.156 C \nATOM 3 C UNL 1 16.240 33.664 14.354 0.00 0.00 +0.150 C \nATOM 4 N UNL 1 17.009 33.925 13.045 0.00 0.00 +0.238 N \nATOM 5 C UNL 1 18.523 33.956 13.313 0.00 0.00 +0.150 C \nATOM 6 C UNL 1 18.874 34.981 14.410 0.00 0.00 +0.156 C \nATOM 7 H UNL 1 16.731 34.859 12.718 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 15\nATOM 8 C UNL 1 22.802 33.062 19.863 0.00 0.00 +0.065 C \nATOM 9 C UNL 1 21.680 33.602 19.027 0.00 0.00 +0.039 C \nATOM 10 N UNL 1 21.042 34.704 19.484 0.00 0.00 -0.252 NA\nATOM 11 C UNL 1 20.037 35.225 18.760 0.00 0.00 +0.073 C \nATOM 12 C UNL 1 19.602 34.668 17.537 0.00 0.00 +0.021 C \nATOM 13 C UNL 1 20.291 33.523 17.092 0.00 0.00 +0.013 C \nATOM 14 C UNL 1 21.334 32.984 17.837 0.00 0.00 +0.024 C \nATOM 15 C UNL 1 18.531 35.272 16.814 0.00 0.00 +0.039 C \nATOM 16 C UNL 1 17.923 36.421 17.336 0.00 0.00 +0.024 C \nATOM 17 C UNL 1 18.356 36.965 18.540 0.00 0.00 +0.004 C \nATOM 18 C UNL 1 19.403 36.362 19.235 0.00 0.00 +0.028 C \nENDBRANCH 1 15\nBRANCH 4 19\nATOM 19 C UNL 1 16.613 32.900 11.997 0.00 0.00 +0.136 C \nBRANCH 19 20\nATOM 20 C UNL 1 17.639 32.803 10.862 0.00 0.00 +0.086 C \nBRANCH 20 21\nATOM 21 C UNL 1 16.950 32.597 9.534 0.00 0.00 -0.041 C \nATOM 22 C UNL 1 17.050 31.372 8.850 0.00 0.00 +0.027 C \nATOM 23 C UNL 1 16.442 31.179 7.595 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 15.729 32.250 7.045 0.00 0.00 +0.023 C \nATOM 25 C UNL 1 15.610 33.466 7.722 0.00 0.00 +0.002 C \nATOM 26 C UNL 1 16.213 33.639 8.963 0.00 0.00 +0.004 C \nBRANCH 23 27\nATOM 27 N UNL 1 16.540 29.933 6.923 0.00 0.00 -0.254 N \nATOM 28 C UNL 1 15.513 28.912 6.971 0.00 0.00 +0.134 C \nATOM 29 C UNL 1 15.948 27.870 5.950 0.00 0.00 +0.125 C \nATOM 30 N UNL 1 17.297 28.230 5.647 0.00 0.00 -0.297 N \nATOM 31 C UNL 1 17.633 29.473 6.161 0.00 0.00 +0.307 C \nATOM 32 O UNL 1 18.713 29.996 5.949 0.00 0.00 -0.252 OA\nATOM 33 H UNL 1 17.939 27.735 5.041 0.00 0.00 +0.150 HD\nENDBRANCH 23 27\nENDBRANCH 20 21\nENDBRANCH 19 20\nENDBRANCH 4 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 7 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and O_22\nREMARK 2 A between atoms: C_2 and O_23\nREMARK 3 A between atoms: N_11 and C_13\nREMARK 4 A between atoms: O_23 and C_24\nREMARK 5 A between atoms: C_24 and C_25\nREMARK 6 A between atoms: C_25 and C_26\nREMARK 7 A between atoms: C_26 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.363 33.558 13.539 0.00 0.00 +0.164 C \nATOM 2 C UNL 1 16.600 33.053 13.126 0.00 0.00 +0.163 C \nATOM 3 C UNL 1 17.644 32.973 14.054 0.00 0.00 +0.062 C \nATOM 4 C UNL 1 17.506 33.443 15.384 0.00 0.00 +0.044 C \nATOM 5 C UNL 1 16.268 33.950 15.786 0.00 0.00 +0.080 C \nATOM 6 C UNL 1 15.230 34.010 14.860 0.00 0.00 +0.078 C \nATOM 7 N UNL 1 16.027 34.365 17.031 0.00 0.00 -0.235 NA\nATOM 8 C UNL 1 17.025 34.246 17.913 0.00 0.00 +0.223 C \nATOM 9 N UNL 1 18.249 33.779 17.654 0.00 0.00 -0.220 NA\nATOM 10 C UNL 1 18.498 33.416 16.385 0.00 0.00 +0.134 C \nATOM 11 N UNL 1 19.819 33.000 16.161 0.00 0.00 -0.299 N \nATOM 12 H UNL 1 20.274 32.877 17.063 0.00 0.00 +0.154 HD\nENDROOT\nBRANCH 11 13\nATOM 13 C UNL 1 20.725 33.334 15.139 0.00 0.00 +0.034 C \nATOM 14 C UNL 1 21.569 32.336 14.631 0.00 0.00 +0.046 C \nATOM 15 C UNL 1 22.468 32.624 13.602 0.00 0.00 +0.078 C \nATOM 16 C UNL 1 22.543 33.914 13.088 0.00 0.00 +0.142 C \nATOM 17 C UNL 1 21.734 34.924 13.596 0.00 0.00 +0.041 C \nATOM 18 C UNL 1 20.828 34.633 14.619 0.00 0.00 +0.026 C \nATOM 19 F UNL 1 23.389 34.210 12.090 0.00 0.00 -0.204 F \nATOM 20 CL UNL 1 23.461 31.368 12.970 0.00 0.00 -0.081 Cl\nENDBRANCH 11 13\nBRANCH 1 22\nATOM 21 C UNL 1 13.012 33.447 13.145 0.00 0.00 +0.277 C \nATOM 22 O UNL 1 14.335 33.581 12.632 0.00 0.00 -0.491 OA\nENDBRANCH 1 22\nBRANCH 2 23\nATOM 23 O UNL 1 16.946 32.555 11.899 0.00 0.00 -0.488 OA\nBRANCH 23 24\nATOM 24 C UNL 1 17.281 33.482 10.872 0.00 0.00 +0.234 C \nBRANCH 24 25\nATOM 25 C UNL 1 16.559 33.020 9.606 0.00 0.00 +0.092 C \nBRANCH 25 26\nATOM 26 C UNL 1 17.287 31.848 8.967 0.00 0.00 +0.134 C \nBRANCH 26 27\nATOM 27 N UNL 1 16.363 30.887 8.255 0.00 0.00 +0.239 N \nATOM 28 C UNL 1 14.958 31.425 7.996 0.00 0.00 +0.160 C \nATOM 29 C UNL 1 14.088 30.299 7.421 0.00 0.00 +0.210 C \nATOM 30 O UNL 1 14.665 29.766 6.223 0.00 0.00 -0.369 OA\nATOM 31 C UNL 1 15.968 29.215 6.448 0.00 0.00 +0.210 C \nATOM 32 C UNL 1 16.933 30.285 6.973 0.00 0.00 +0.160 C \nATOM 33 H UNL 1 16.244 30.098 8.904 0.00 0.00 +0.203 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 24 25\nENDBRANCH 23 24\nENDBRANCH 2 23\nTORSDOF 7\n",
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@@ -31238,11 +34132,11 @@
"args": [
"label"
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- "component_index": 1,
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"kwargs": {
"backgroundColor": "black",
"labelText": [
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],
"labelType": "text",
"sele": "@0",
@@ -31255,348 +34149,187 @@
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"args": [
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- 27.727,
- 9.517
- ],
- [
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- 0.83,
- 0.96
- ],
- [
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- ],
- "hbond"
- ]
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+ {
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+ "data": "REMARK Name = =\nREMARK 7 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and O_22\nREMARK 2 A between atoms: C_2 and O_23\nREMARK 3 A between atoms: N_11 and C_13\nREMARK 4 A between atoms: O_23 and C_24\nREMARK 5 A between atoms: C_24 and C_25\nREMARK 6 A between atoms: C_25 and C_26\nREMARK 7 A between atoms: C_26 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.254 33.225 13.326 0.00 0.00 +0.164 C \nATOM 2 C UNL 1 19.869 33.420 13.350 0.00 0.00 +0.163 C \nATOM 3 C UNL 1 19.340 34.432 14.160 0.00 0.00 +0.062 C \nATOM 4 C UNL 1 20.157 35.226 15.001 0.00 0.00 +0.044 C \nATOM 5 C UNL 1 21.539 35.022 14.974 0.00 0.00 +0.080 C \nATOM 6 C UNL 1 22.058 34.024 14.153 0.00 0.00 +0.078 C \nATOM 7 N UNL 1 22.392 35.756 15.689 0.00 0.00 -0.235 NA\nATOM 8 C UNL 1 21.871 36.743 16.427 0.00 0.00 +0.223 C \nATOM 9 N UNL 1 20.574 37.039 16.537 0.00 0.00 -0.220 NA\nATOM 10 C UNL 1 19.719 36.258 15.855 0.00 0.00 +0.134 C \nATOM 11 N UNL 1 18.369 36.574 16.066 0.00 0.00 -0.299 N \nATOM 12 H UNL 1 18.320 37.468 16.552 0.00 0.00 +0.154 HD\nENDROOT\nBRANCH 11 13\nATOM 13 C UNL 1 17.265 35.748 16.341 0.00 0.00 +0.034 C \nATOM 14 C UNL 1 16.321 35.522 15.330 0.00 0.00 +0.046 C \nATOM 15 C UNL 1 15.221 34.691 15.558 0.00 0.00 +0.078 C \nATOM 16 C UNL 1 15.049 34.097 16.804 0.00 0.00 +0.142 C \nATOM 17 C UNL 1 15.960 34.329 17.828 0.00 0.00 +0.041 C \nATOM 18 C UNL 1 17.065 35.153 17.596 0.00 0.00 +0.026 C \nATOM 19 F UNL 1 14.009 33.284 17.042 0.00 0.00 -0.204 F \nATOM 20 CL UNL 1 14.102 34.400 14.285 0.00 0.00 -0.081 Cl\nENDBRANCH 11 13\nBRANCH 1 22\nATOM 21 C UNL 1 23.160 32.002 12.575 0.00 0.00 +0.277 C \nATOM 22 O UNL 1 21.761 32.265 12.490 0.00 0.00 -0.491 OA\nENDBRANCH 1 22\nBRANCH 2 23\nATOM 23 O UNL 1 18.908 32.766 12.627 0.00 0.00 -0.488 OA\nBRANCH 23 24\nATOM 24 C UNL 1 17.555 32.890 13.048 0.00 0.00 +0.234 C \nBRANCH 24 25\nATOM 25 C UNL 1 16.789 33.531 11.889 0.00 0.00 +0.092 C \nBRANCH 25 26\nATOM 26 C UNL 1 15.796 32.548 11.291 0.00 0.00 +0.134 C \nBRANCH 26 27\nATOM 27 N UNL 1 15.973 32.350 9.803 0.00 0.00 +0.239 N \nATOM 28 C UNL 1 15.809 33.618 8.967 0.00 0.00 +0.160 C \nATOM 29 C UNL 1 15.852 33.245 7.478 0.00 0.00 +0.210 C \nATOM 30 O UNL 1 17.071 32.566 7.153 0.00 0.00 -0.369 OA\nATOM 31 C UNL 1 17.227 31.349 7.895 0.00 0.00 +0.210 C \nATOM 32 C UNL 1 17.255 31.626 9.404 0.00 0.00 +0.160 C \nATOM 33 H UNL 1 15.202 31.729 9.521 0.00 0.00 +0.203 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 24 25\nENDBRANCH 23 24\nENDBRANCH 2 23\nTORSDOF 7\n",
+ "type": "blob"
+ }
],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
+ "kwargs": {
+ "defaultRepresentation": true,
+ "ext": "pdbqt"
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+ "methodName": "loadFile",
"reconstruc_color_scheme": false,
- "target": "Widget",
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"type": "call_method"
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"args": [
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- "hbond"
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+ "label"
],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
+ "component_index": 3,
+ "kwargs": {
+ "backgroundColor": "black",
+ "labelText": [
+ "-8.7 kcal/mol"
+ ],
+ "labelType": "text",
+ "sele": "@0",
+ "showBackground": true
+ },
+ "methodName": "addRepresentation",
"reconstruc_color_scheme": false,
- "target": "Widget",
+ "target": "compList",
"type": "call_method"
},
{
"args": [
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- ],
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+ "data": "REMARK Name = =\nREMARK 7 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and O_22\nREMARK 2 A between atoms: C_2 and O_23\nREMARK 3 A between atoms: N_11 and C_13\nREMARK 4 A between atoms: O_23 and C_24\nREMARK 5 A between atoms: C_24 and C_25\nREMARK 6 A between atoms: C_25 and C_26\nREMARK 7 A between atoms: C_26 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.328 33.595 12.497 0.00 0.00 +0.164 C \nATOM 2 C UNL 1 18.128 33.656 13.642 0.00 0.00 +0.163 C \nATOM 3 C UNL 1 17.521 33.870 14.884 0.00 0.00 +0.062 C \nATOM 4 C UNL 1 16.127 34.085 15.011 0.00 0.00 +0.044 C \nATOM 5 C UNL 1 15.335 34.026 13.862 0.00 0.00 +0.080 C \nATOM 6 C UNL 1 15.946 33.797 12.632 0.00 0.00 +0.078 C \nATOM 7 N UNL 1 14.008 34.163 13.890 0.00 0.00 -0.235 NA\nATOM 8 C UNL 1 13.442 34.328 15.090 0.00 0.00 +0.223 C \nATOM 9 N UNL 1 14.085 34.401 16.258 0.00 0.00 -0.220 NA\nATOM 10 C UNL 1 15.426 34.318 16.212 0.00 0.00 +0.134 C \nATOM 11 N UNL 1 16.048 34.470 17.460 0.00 0.00 -0.299 N \nATOM 12 H UNL 1 15.333 34.422 18.183 0.00 0.00 +0.154 HD\nENDROOT\nBRANCH 11 13\nATOM 13 C UNL 1 17.155 35.248 17.845 0.00 0.00 +0.034 C \nATOM 14 C UNL 1 18.306 34.599 18.313 0.00 0.00 +0.046 C \nATOM 15 C UNL 1 19.433 35.335 18.685 0.00 0.00 +0.078 C \nATOM 16 C UNL 1 19.410 36.724 18.610 0.00 0.00 +0.142 C \nATOM 17 C UNL 1 18.269 37.387 18.174 0.00 0.00 +0.041 C \nATOM 18 C UNL 1 17.145 36.649 17.792 0.00 0.00 +0.026 C \nATOM 19 F UNL 1 20.485 37.450 18.948 0.00 0.00 -0.204 F \nATOM 20 CL UNL 1 20.846 34.509 19.216 0.00 0.00 -0.081 Cl\nENDBRANCH 11 13\nBRANCH 1 22\nATOM 21 C UNL 1 17.986 31.972 10.875 0.00 0.00 +0.277 C \nATOM 22 O UNL 1 17.932 33.334 11.294 0.00 0.00 -0.491 OA\nENDBRANCH 1 22\nBRANCH 2 23\nATOM 23 O UNL 1 19.483 33.482 13.739 0.00 0.00 -0.488 OA\nBRANCH 23 24\nATOM 24 C UNL 1 19.963 32.417 14.552 0.00 0.00 +0.234 C \nBRANCH 24 25\nATOM 25 C UNL 1 20.708 33.056 15.724 0.00 0.00 +0.092 C \nBRANCH 25 26\nATOM 26 C UNL 1 22.203 33.105 15.452 0.00 0.00 +0.134 C \nBRANCH 26 27\nATOM 27 N UNL 1 22.540 33.182 13.981 0.00 0.00 +0.239 N \nATOM 28 C UNL 1 22.878 34.583 13.476 0.00 0.00 +0.160 C \nATOM 29 C UNL 1 23.038 34.540 11.950 0.00 0.00 +0.210 C \nATOM 30 O UNL 1 24.045 33.596 11.565 0.00 0.00 -0.369 OA\nATOM 31 C UNL 1 23.730 32.264 11.991 0.00 0.00 +0.210 C \nATOM 32 C UNL 1 23.605 32.191 13.518 0.00 0.00 +0.160 C \nATOM 33 H UNL 1 21.676 32.910 13.493 0.00 0.00 +0.203 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 24 25\nENDBRANCH 23 24\nENDBRANCH 2 23\nTORSDOF 7\n",
+ "type": "blob"
+ }
],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
+ "kwargs": {
+ "defaultRepresentation": true,
+ "ext": "pdbqt"
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+ "methodName": "loadFile",
"reconstruc_color_scheme": false,
- "target": "Widget",
+ "target": "Stage",
"type": "call_method"
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{
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- [
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- "hydrophobic"
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+ "label"
],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
+ "component_index": 4,
+ "kwargs": {
+ "backgroundColor": "black",
+ "labelText": [
+ "-8.4 kcal/mol"
+ ],
+ "labelType": "text",
+ "sele": "@0",
+ "showBackground": true
+ },
+ "methodName": "addRepresentation",
"reconstruc_color_scheme": false,
- "target": "Widget",
+ "target": "compList",
"type": "call_method"
},
{
"args": [
- "shape",
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- 32.25,
- 7.045
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- ],
- [
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- 0.1,
- 0.29
- ],
- [
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- "hydrophobic"
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+ {
+ "binary": false,
+ "data": "REMARK Name = =\nREMARK 7 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and O_22\nREMARK 2 A between atoms: C_2 and O_23\nREMARK 3 A between atoms: N_11 and C_13\nREMARK 4 A between atoms: O_23 and C_24\nREMARK 5 A between atoms: C_24 and C_25\nREMARK 6 A between atoms: C_25 and C_26\nREMARK 7 A between atoms: C_26 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.056 33.345 13.131 0.00 0.00 +0.164 C \nATOM 2 C UNL 1 16.395 33.114 13.461 0.00 0.00 +0.163 C \nATOM 3 C UNL 1 16.916 33.691 14.625 0.00 0.00 +0.062 C \nATOM 4 C UNL 1 16.146 34.550 15.448 0.00 0.00 +0.044 C \nATOM 5 C UNL 1 14.811 34.778 15.108 0.00 0.00 +0.080 C \nATOM 6 C UNL 1 14.296 34.187 13.957 0.00 0.00 +0.078 C \nATOM 7 N UNL 1 13.994 35.527 15.850 0.00 0.00 -0.235 NA\nATOM 8 C UNL 1 14.499 36.038 16.978 0.00 0.00 +0.223 C \nATOM 9 N UNL 1 15.753 35.894 17.412 0.00 0.00 -0.220 NA\nATOM 10 C UNL 1 16.582 35.184 16.629 0.00 0.00 +0.134 C \nATOM 11 N UNL 1 17.901 35.126 17.102 0.00 0.00 -0.299 N \nATOM 12 H UNL 1 17.916 35.481 18.057 0.00 0.00 +0.154 HD\nENDROOT\nBRANCH 11 13\nATOM 13 C UNL 1 19.125 35.316 16.436 0.00 0.00 +0.034 C \nATOM 14 C UNL 1 20.125 34.343 16.568 0.00 0.00 +0.046 C \nATOM 15 C UNL 1 21.346 34.486 15.905 0.00 0.00 +0.078 C \nATOM 16 C UNL 1 21.582 35.612 15.122 0.00 0.00 +0.142 C \nATOM 17 C UNL 1 20.613 36.600 15.000 0.00 0.00 +0.041 C \nATOM 18 C UNL 1 19.388 36.452 15.656 0.00 0.00 +0.026 C \nATOM 19 F UNL 1 22.742 35.763 14.465 0.00 0.00 -0.204 F \nATOM 20 CL UNL 1 22.539 33.254 16.053 0.00 0.00 -0.081 Cl\nENDBRANCH 11 13\nBRANCH 1 22\nATOM 21 C UNL 1 13.219 32.219 12.105 0.00 0.00 +0.277 C \nATOM 22 O UNL 1 14.546 32.731 12.016 0.00 0.00 -0.491 OA\nENDBRANCH 1 22\nBRANCH 2 23\nATOM 23 O UNL 1 17.307 32.329 12.807 0.00 0.00 -0.488 OA\nBRANCH 23 24\nATOM 24 C UNL 1 18.600 32.870 12.563 0.00 0.00 +0.234 C \nBRANCH 24 25\nATOM 25 C UNL 1 18.778 32.922 11.045 0.00 0.00 +0.092 C \nBRANCH 25 26\nATOM 26 C UNL 1 17.781 32.005 10.353 0.00 0.00 +0.134 C \nBRANCH 26 27\nATOM 27 N UNL 1 16.677 32.751 9.641 0.00 0.00 +0.239 N \nATOM 28 C UNL 1 16.689 34.263 9.852 0.00 0.00 +0.160 C \nATOM 29 C UNL 1 15.430 34.868 9.214 0.00 0.00 +0.210 C \nATOM 30 O UNL 1 15.353 34.541 7.821 0.00 0.00 -0.369 OA\nATOM 31 C UNL 1 15.297 33.126 7.599 0.00 0.00 +0.210 C \nATOM 32 C UNL 1 16.548 32.433 8.154 0.00 0.00 +0.160 C \nATOM 33 H UNL 1 15.805 32.416 10.074 0.00 0.00 +0.203 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 24 25\nENDBRANCH 23 24\nENDBRANCH 2 23\nTORSDOF 7\n",
+ "type": "blob"
+ }
],
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- "kwargs": {},
- "methodName": "addShape",
+ "kwargs": {
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+ "ext": "pdbqt"
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- "target": "Widget",
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"type": "call_method"
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- "hydrophobic"
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- "fire_embed": true,
+ "component_index": 5,
+ "kwargs": {
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+ "labelText": [
+ "-8.4 kcal/mol"
+ ],
+ "labelType": "text",
+ "sele": "@0",
+ "showBackground": true
+ },
+ "methodName": "addRepresentation",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ false
+ ],
+ "component_index": 1,
"kwargs": {},
- "methodName": "addShape",
+ "methodName": "setVisibility",
"reconstruc_color_scheme": false,
- "target": "Widget",
+ "target": "compList",
"type": "call_method"
},
{
"args": [
- "shape",
- [
- [
- "cylinder",
- [
- 16.213,
- 33.639,
- 8.963
- ],
- [
- 18.294,
- 36.063,
- 7.319
- ],
- [
- 0.9,
- 0.1,
- 0.29
- ],
- [
- 0.1
- ],
- "hydrophobic"
- ]
- ]
+ false
],
- "fire_embed": true,
+ "component_index": 2,
"kwargs": {},
- "methodName": "addShape",
+ "methodName": "setVisibility",
"reconstruc_color_scheme": false,
- "target": "Widget",
+ "target": "compList",
"type": "call_method"
},
{
"args": [
- "shape",
- [
- [
- "cylinder",
- [
- 16.95,
- 32.597,
- 9.534
- ],
- [
- 20.007,
- 34.389,
- 8.138
- ],
- [
- 0.9,
- 0.1,
- 0.29
- ],
- [
- 0.1
- ],
- "hydrophobic"
- ]
- ]
+ false
],
- "fire_embed": true,
+ "component_index": 3,
"kwargs": {},
- "methodName": "addShape",
+ "methodName": "setVisibility",
"reconstruc_color_scheme": false,
- "target": "Widget",
+ "target": "compList",
"type": "call_method"
},
{
"args": [
- "shape",
- [
- [
- "cylinder",
- [
- 15.729,
- 32.25,
- 7.045
- ],
- [
- 15.887,
- 34.523,
- 3.909
- ],
- [
- 0.9,
- 0.1,
- 0.29
- ],
- [
- 0.1
- ],
- "hydrophobic"
- ]
- ]
+ false
],
- "fire_embed": true,
+ "component_index": 4,
"kwargs": {},
- "methodName": "addShape",
+ "methodName": "setVisibility",
"reconstruc_color_scheme": false,
- "target": "Widget",
+ "target": "compList",
"type": "call_method"
},
{
"args": [
- "ball+stick"
+ false
],
- "component_index": 0,
- "kwargs": {
- "aspectRatio": 1.5,
- "colorScheme": "chainindex",
- "sele": "(855 and not _H) or (856 and not _H) or (790 and not _H) or (718 and not _H) or (777 and not _H) or (997 and not _H) or (745 and not _H) or (745 and not _H) or (788 and not _H)"
- },
- "methodName": "addRepresentation",
+ "component_index": 5,
+ "kwargs": {},
+ "methodName": "setVisibility",
"reconstruc_color_scheme": false,
"target": "compList",
"type": "call_method"
},
{
"args": [
- "ball+stick"
+ true
],
- "component_index": 0,
- "kwargs": {
- "aspectRatio": 1.5,
- "colorScheme": "element",
- "sele": "(855 and ((_O) or (_N) or (_S))) or (856 and ((_O) or (_N) or (_S))) or (790 and ((_O) or (_N) or (_S))) or (718 and ((_O) or (_N) or (_S))) or (777 and ((_O) or (_N) or (_S))) or (997 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (788 and ((_O) or (_N) or (_S)))"
- },
- "methodName": "addRepresentation",
+ "component_index": 1,
+ "kwargs": {},
+ "methodName": "setVisibility",
"reconstruc_color_scheme": false,
"target": "compList",
"type": "call_method"
+ },
+ {
+ "args": [
+ "\n var protein = this.stage.compList[0];\n var ligand_center = this.stage.compList[1].structure.atomCenter();\n var around = protein.structure.getAtomSetWithinPoint(ligand_center, 6);\n var around_complete = protein.structure.getAtomSetWithinGroup(around);\n var last_repr = protein.reprList[protein.reprList.length-1];\n protein.removeRepresentation(last_repr);\n protein.addRepresentation(\"licorice\", {sele: around_complete.toSeleString()});\n "
+ ],
+ "kwargs": {},
+ "methodName": "executeCode",
+ "reconstruc_color_scheme": false,
+ "target": "Widget",
+ "type": "call_method"
}
],
"_ngl_original_stage_parameters": {
@@ -31674,14 +34407,14 @@
},
"metalness": 0,
"opacity": 1,
- "quality": "medium",
- "radialSegments": 10,
+ "quality": "high",
+ "radialSegments": 20,
"radiusData": {},
"radiusScale": 0.7,
"radiusSize": 1,
"radiusType": "sstruc",
"roughness": 0.4,
- "sele": "all",
+ "sele": "",
"side": "double",
"smoothSheet": false,
"subdiv": 6,
@@ -31694,10 +34427,9 @@
},
"1": {
"params": {
- "aspectRatio": 1.5,
+ "aspectRatio": 1,
"assembly": "default",
"bondScale": 0.4,
- "bondSpacing": 1,
"clipCenter": {
"x": 0,
"y": 0,
@@ -31707,8 +34439,8 @@
"clipRadius": 0,
"colorMode": "hcl",
"colorReverse": false,
- "colorScale": "",
- "colorScheme": "chainindex",
+ "colorScale": "RdYlBu",
+ "colorScheme": "chainname",
"colorValue": 9474192,
"cylinderOnly": false,
"defaultAssembly": "",
@@ -31744,28 +34476,26 @@
]
},
"metalness": 0,
- "multipleBond": "off",
"opacity": 1,
"openEnded": true,
- "quality": "medium",
- "radialSegments": 10,
+ "quality": "high",
+ "radialSegments": 20,
"radiusData": {},
"radiusScale": 1,
- "radiusSize": 0.15,
+ "radiusSize": 0.3,
"radiusType": "size",
"roughness": 0.4,
- "sele": "(855 and not _H) or (856 and not _H) or (790 and not _H) or (718 and not _H) or (777 and not _H) or (997 and not _H) or (745 and not _H) or (745 and not _H) or (788 and not _H)",
+ "sele": "",
"side": "double",
- "sphereDetail": 1,
+ "sphereDetail": 2,
"useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "ball+stick"
+ "type": "base"
},
"2": {
"params": {
- "aspectRatio": 1.5,
"assembly": "default",
"bondScale": 0.4,
"bondSpacing": 1,
@@ -31825,14 +34555,14 @@
"radiusSize": 0.15,
"radiusType": "size",
"roughness": 0.4,
- "sele": "(855 and ((_O) or (_N) or (_S))) or (856 and ((_O) or (_N) or (_S))) or (790 and ((_O) or (_N) or (_S))) or (718 and ((_O) or (_N) or (_S))) or (777 and ((_O) or (_N) or (_S))) or (997 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (788 and ((_O) or (_N) or (_S)))",
+ "sele": "@193,194,195,196,197,198,199,344,345,346,347,348,349,350,351,352,1109,1110,1111,1112,1113,1114,1115,1116,1117,1118,1119,1120,1121,1122,1123,1124,1125,1126,1127,1216,1217,1218,1219,1220,1221,1222,1223,1224,1225,1226,1227,1228,1229,1230",
"side": "double",
"sphereDetail": 1,
"useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "ball+stick"
+ "type": "licorice"
}
},
"1": {
@@ -31941,7 +34671,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-10.3 kcal/mol"
+ "-9.1 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -31983,60 +34713,13 @@
"type": "label"
}
},
- "10": {
- "0": {
- "params": {
- "clipCenter": {
- "x": 0,
- "y": 0,
- "z": 0
- },
- "clipNear": 0,
- "clipRadius": 0,
- "colorReverse": false,
- "depthWrite": true,
- "diffuse": 16777215,
- "diffuseInterior": false,
- "disablePicking": false,
- "flatShaded": false,
- "interiorColor": 2236962,
- "interiorDarkening": 0,
- "lazy": false,
- "matrix": {
- "elements": [
- 1,
- 0,
- 0,
- 0,
- 0,
- 1,
- 0,
- 0,
- 0,
- 0,
- 1,
- 0,
- 0,
- 0,
- 0,
- 1
- ]
- },
- "metalness": 0,
- "opacity": 1,
- "quality": "medium",
- "roughness": 0.4,
- "side": "double",
- "useInteriorColor": false,
- "visible": true,
- "wireframe": false
- },
- "type": "buffer"
- }
- },
"2": {
"0": {
"params": {
+ "aspectRatio": 1.5,
+ "assembly": "default",
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32044,15 +34727,24 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -32074,20 +34766,34 @@
]
},
"metalness": 0,
+ "multipleBond": "off",
"opacity": 1,
- "quality": "medium",
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 2,
+ "radiusSize": 0.15,
+ "radiusType": "size",
"roughness": 0.4,
+ "sele": "",
"side": "double",
- "useInteriorColor": false,
- "visible": true,
+ "sphereDetail": 2,
+ "useInteriorColor": true,
+ "visible": false,
"wireframe": false
},
- "type": "buffer"
- }
- },
- "3": {
- "0": {
+ "type": "ball+stick"
+ },
+ "1": {
"params": {
+ "assembly": "default",
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32095,14 +34801,27 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
"depthWrite": true,
- "diffuse": 16777215,
"diffuseInterior": false,
"disablePicking": false,
- "flatShaded": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
"interiorColor": 2236962,
"interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-8.9 kcal/mol"
+ ],
+ "labelType": "text",
"lazy": false,
"matrix": {
"elements": [
@@ -32124,21 +34843,31 @@
1
]
},
- "metalness": 0,
"opacity": 1,
"quality": "medium",
- "roughness": 0.4,
- "side": "double",
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 1,
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
"useInteriorColor": false,
- "visible": true,
- "wireframe": false
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
},
- "type": "buffer"
+ "type": "label"
}
},
- "4": {
+ "3": {
"0": {
"params": {
+ "aspectRatio": 1.5,
+ "assembly": "default",
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32146,15 +34875,24 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -32176,20 +34914,34 @@
]
},
"metalness": 0,
+ "multipleBond": "off",
"opacity": 1,
- "quality": "medium",
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 2,
+ "radiusSize": 0.15,
+ "radiusType": "size",
"roughness": 0.4,
+ "sele": "",
"side": "double",
- "useInteriorColor": false,
- "visible": true,
+ "sphereDetail": 2,
+ "useInteriorColor": true,
+ "visible": false,
"wireframe": false
},
- "type": "buffer"
- }
- },
- "5": {
- "0": {
+ "type": "ball+stick"
+ },
+ "1": {
"params": {
+ "assembly": "default",
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32197,14 +34949,27 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
"depthWrite": true,
- "diffuse": 16777215,
"diffuseInterior": false,
"disablePicking": false,
- "flatShaded": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
"interiorColor": 2236962,
"interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-8.7 kcal/mol"
+ ],
+ "labelType": "text",
"lazy": false,
"matrix": {
"elements": [
@@ -32226,21 +34991,31 @@
1
]
},
- "metalness": 0,
"opacity": 1,
"quality": "medium",
- "roughness": 0.4,
- "side": "double",
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 1,
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
"useInteriorColor": false,
- "visible": true,
- "wireframe": false
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
},
- "type": "buffer"
+ "type": "label"
}
},
- "6": {
+ "4": {
"0": {
"params": {
+ "aspectRatio": 1.5,
+ "assembly": "default",
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32248,15 +35023,24 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -32278,20 +35062,34 @@
]
},
"metalness": 0,
+ "multipleBond": "off",
"opacity": 1,
- "quality": "medium",
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 2,
+ "radiusSize": 0.15,
+ "radiusType": "size",
"roughness": 0.4,
+ "sele": "",
"side": "double",
- "useInteriorColor": false,
- "visible": true,
+ "sphereDetail": 2,
+ "useInteriorColor": true,
+ "visible": false,
"wireframe": false
},
- "type": "buffer"
- }
- },
- "7": {
- "0": {
+ "type": "ball+stick"
+ },
+ "1": {
"params": {
+ "assembly": "default",
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32299,14 +35097,27 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
"depthWrite": true,
- "diffuse": 16777215,
"diffuseInterior": false,
"disablePicking": false,
- "flatShaded": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
"interiorColor": 2236962,
"interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-8.4 kcal/mol"
+ ],
+ "labelType": "text",
"lazy": false,
"matrix": {
"elements": [
@@ -32328,21 +35139,31 @@
1
]
},
- "metalness": 0,
"opacity": 1,
"quality": "medium",
- "roughness": 0.4,
- "side": "double",
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 1,
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
"useInteriorColor": false,
- "visible": true,
- "wireframe": false
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
},
- "type": "buffer"
+ "type": "label"
}
},
- "8": {
+ "5": {
"0": {
"params": {
+ "aspectRatio": 1.5,
+ "assembly": "default",
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32350,15 +35171,24 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -32380,20 +35210,34 @@
]
},
"metalness": 0,
+ "multipleBond": "off",
"opacity": 1,
- "quality": "medium",
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 2,
+ "radiusSize": 0.15,
+ "radiusType": "size",
"roughness": 0.4,
+ "sele": "",
"side": "double",
- "useInteriorColor": false,
- "visible": true,
+ "sphereDetail": 2,
+ "useInteriorColor": true,
+ "visible": false,
"wireframe": false
},
- "type": "buffer"
- }
- },
- "9": {
- "0": {
+ "type": "ball+stick"
+ },
+ "1": {
"params": {
+ "assembly": "default",
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
"clipCenter": {
"x": 0,
"y": 0,
@@ -32401,14 +35245,27 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
"depthWrite": true,
- "diffuse": 16777215,
"diffuseInterior": false,
"disablePicking": false,
- "flatShaded": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
"interiorColor": 2236962,
"interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-8.4 kcal/mol"
+ ],
+ "labelType": "text",
"lazy": false,
"matrix": {
"elements": [
@@ -32430,23 +35287,29 @@
1
]
},
- "metalness": 0,
"opacity": 1,
"quality": "medium",
- "roughness": 0.4,
- "side": "double",
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 1,
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
"useInteriorColor": false,
- "visible": true,
- "wireframe": false
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
},
- "type": "buffer"
+ "type": "label"
}
}
},
"_ngl_serialize": false,
"_ngl_version": "2.0.0-dev.36",
"_ngl_view_id": [
- "882A6EEA-1871-4045-86D6-39338902F5AA"
+ "949765FC-8B81-41EE-B9E0-5AF28A17E669"
],
"_player_dict": {},
"_scene_position": {},
@@ -32458,466 +35321,46 @@
"background": "white",
"frame": 0,
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],
[
0.26,
@@ -33054,14 +35497,14 @@
[
"cylinder",
[
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- 12.648
+ 13.627,
+ 34.998,
+ 16.47
],
[
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- 29.305,
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+ 11.318,
+ 34.339,
+ 18.163
],
[
0.26,
@@ -33089,189 +35532,14 @@
[
"cylinder",
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- ],
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- "methodName": "addShape",
- "reconstruc_color_scheme": false,
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- "type": "call_method"
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- {
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- "hydrophobic"
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- "kwargs": {},
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- "target": "Widget",
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- },
- {
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- [
- [
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],
[
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],
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0.9,
@@ -33299,14 +35567,14 @@
[
"cylinder",
[
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+ 14.83
],
[
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],
[
0.9,
@@ -33334,14 +35602,14 @@
[
"cylinder",
[
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],
[
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],
[
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@@ -33369,14 +35637,14 @@
[
"cylinder",
[
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+ 16.036,
+ 32.698,
+ 12.36
],
[
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],
[
0.9,
@@ -33404,14 +35672,14 @@
[
"cylinder",
[
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+ 17.395,
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],
[
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+ 12.649
],
[
0.9,
@@ -33432,41 +35700,6 @@
"target": "Widget",
"type": "call_method"
},
- {
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- 12.648
- ],
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- ],
- [
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- 1,
- 0.76
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- [
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- ],
- "saltbridge"
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- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- },
{
"args": [
"ball+stick"
@@ -33475,7 +35708,7 @@
"kwargs": {
"aspectRatio": 1.5,
"colorScheme": "chainindex",
- "sele": "(745 and not _H) or (842 and not _H) or (743 and not _H) or (726 and not _H) or (726 and not _H) or (718 and not _H) or (777 and not _H) or (844 and not _H) or (856 and not _H) or (997 and not _H) or (766 and not _H) or (777 and not _H) or (855 and not _H)"
+ "sele": "(793 and not _H) or (793 and not _H) or (790 and not _H) or (726 and not _H) or (745 and not _H) or (844 and not _H) or (854 and not _H)"
},
"methodName": "addRepresentation",
"reconstruc_color_scheme": false,
@@ -33490,7 +35723,7 @@
"kwargs": {
"aspectRatio": 1.5,
"colorScheme": "element",
- "sele": "(745 and ((_O) or (_N) or (_S))) or (842 and ((_O) or (_N) or (_S))) or (743 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (718 and ((_O) or (_N) or (_S))) or (777 and ((_O) or (_N) or (_S))) or (844 and ((_O) or (_N) or (_S))) or (856 and ((_O) or (_N) or (_S))) or (997 and ((_O) or (_N) or (_S))) or (766 and ((_O) or (_N) or (_S))) or (777 and ((_O) or (_N) or (_S))) or (855 and ((_O) or (_N) or (_S)))"
+ "sele": "(793 and ((_O) or (_N) or (_S))) or (793 and ((_O) or (_N) or (_S))) or (790 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (844 and ((_O) or (_N) or (_S))) or (854 and ((_O) or (_N) or (_S)))"
},
"methodName": "addRepresentation",
"reconstruc_color_scheme": false,
@@ -33653,7 +35886,7 @@
"radiusSize": 0.15,
"radiusType": "size",
"roughness": 0.4,
- "sele": "(745 and not _H) or (842 and not _H) or (743 and not _H) or (726 and not _H) or (726 and not _H) or (718 and not _H) or (777 and not _H) or (844 and not _H) or (856 and not _H) or (997 and not _H) or (766 and not _H) or (777 and not _H) or (855 and not _H)",
+ "sele": "(793 and not _H) or (793 and not _H) or (790 and not _H) or (726 and not _H) or (745 and not _H) or (844 and not _H) or (854 and not _H)",
"side": "double",
"sphereDetail": 1,
"useInteriorColor": true,
@@ -33724,7 +35957,7 @@
"radiusSize": 0.15,
"radiusType": "size",
"roughness": 0.4,
- "sele": "(745 and ((_O) or (_N) or (_S))) or (842 and ((_O) or (_N) or (_S))) or (743 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (718 and ((_O) or (_N) or (_S))) or (777 and ((_O) or (_N) or (_S))) or (844 and ((_O) or (_N) or (_S))) or (856 and ((_O) or (_N) or (_S))) or (997 and ((_O) or (_N) or (_S))) or (766 and ((_O) or (_N) or (_S))) or (777 and ((_O) or (_N) or (_S))) or (855 and ((_O) or (_N) or (_S)))",
+ "sele": "(793 and ((_O) or (_N) or (_S))) or (793 and ((_O) or (_N) or (_S))) or (790 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (844 and ((_O) or (_N) or (_S))) or (854 and ((_O) or (_N) or (_S)))",
"side": "double",
"sphereDetail": 1,
"useInteriorColor": true,
@@ -33840,7 +36073,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-10.7 kcal/mol"
+ "-7.9 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -33882,58 +36115,7 @@
"type": "label"
}
},
- "10": {
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- "colorReverse": false,
- "depthWrite": true,
- "diffuse": 16777215,
- "diffuseInterior": false,
- "disablePicking": false,
- "flatShaded": false,
- "interiorColor": 2236962,
- "interiorDarkening": 0,
- "lazy": false,
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- },
- "metalness": 0,
- "opacity": 1,
- "quality": "medium",
- "roughness": 0.4,
- "side": "double",
- "useInteriorColor": false,
- "visible": true,
- "wireframe": false
- },
- "type": "buffer"
- }
- },
- "11": {
+ "2": {
"0": {
"params": {
"clipCenter": {
@@ -33984,7 +36166,7 @@
"type": "buffer"
}
},
- "12": {
+ "3": {
"0": {
"params": {
"clipCenter": {
@@ -34035,7 +36217,7 @@
"type": "buffer"
}
},
- "13": {
+ "4": {
"0": {
"params": {
"clipCenter": {
@@ -34086,7 +36268,7 @@
"type": "buffer"
}
},
- "14": {
+ "5": {
"0": {
"params": {
"clipCenter": {
@@ -34137,7 +36319,7 @@
"type": "buffer"
}
},
- "2": {
+ "6": {
"0": {
"params": {
"clipCenter": {
@@ -34188,7 +36370,7 @@
"type": "buffer"
}
},
- "3": {
+ "7": {
"0": {
"params": {
"clipCenter": {
@@ -34239,7 +36421,7 @@
"type": "buffer"
}
},
- "4": {
+ "8": {
"0": {
"params": {
"clipCenter": {
@@ -34289,10 +36471,166 @@
},
"type": "buffer"
}
+ }
+ },
+ "_ngl_serialize": false,
+ "_ngl_version": "2.0.0-dev.36",
+ "_ngl_view_id": [
+ "D4D49F16-5BDE-4E98-990A-7FB2A25A878F"
+ ],
+ "_player_dict": {},
+ "_scene_position": {},
+ "_scene_rotation": {},
+ "_synced_model_ids": [],
+ "_synced_repr_model_ids": [],
+ "_view_height": "860px",
+ "_view_width": "",
+ "background": "white",
+ "frame": 0,
+ "gui_style": null,
+ "layout": "IPY_MODEL_ff36d1b1241d4454b1395bedf135a54e",
+ "max_frame": 0,
+ "n_components": 9,
+ "picked": {}
+ }
+ },
+ "76214e4398d64e458ea06e8ef08d49a5": {
+ "model_module": "nglview-js-widgets",
+ "model_module_version": "3.0.1",
+ "model_name": "NGLModel",
+ "state": {
+ "_camera_orientation": [
+ 114.91663465571382,
+ 0,
+ 0,
+ 0,
+ 0,
+ 114.91663465571382,
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+ 0,
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+ 114.91663465571382,
+ 0,
+ -19.79849910736084,
+ -27.973500788211823,
+ -15.738999366760254,
+ 1
+ ],
+ "_camera_str": "orthographic",
+ "_gui_theme": null,
+ "_ibtn_fullscreen": "IPY_MODEL_0e91a8ecdfc848a6bd6b286bdb9001fa",
+ "_igui": null,
+ "_iplayer": "IPY_MODEL_455e3c16255348f0ac24ae9ee8016593",
+ "_ngl_color_dict": {},
+ "_ngl_coordinate_resource": {},
+ "_ngl_full_stage_parameters": {
+ "ambientColor": 14540253,
+ "ambientIntensity": 0.2,
+ "backgroundColor": "white",
+ "cameraEyeSep": 0.3,
+ "cameraFov": 40,
+ "cameraType": "perspective",
+ "clipDist": 10,
+ "clipFar": 100,
+ "clipNear": 0,
+ "fogFar": 100,
+ "fogNear": 50,
+ "hoverTimeout": 0,
+ "impostor": true,
+ "lightColor": 14540253,
+ "lightIntensity": 1,
+ "mousePreset": "default",
+ "panSpeed": 1,
+ "quality": "medium",
+ "rotateSpeed": 2,
+ "sampleLevel": 0,
+ "tooltip": true,
+ "workerDefault": true,
+ "zoomSpeed": 1.2
+ },
+ "_ngl_msg_archive": [
+ {
+ "args": [
+ {
+ "binary": false,
+ "data": "data_3W32\n# \n_entry.id 3W32 \n# \n_audit_conform.dict_name mmcif_pdbx.dic \n_audit_conform.dict_version 5.281 \n_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic \n# \nloop_\n_database_2.database_id \n_database_2.database_code \nPDB 3W32 \nRCSB RCSB095823 \nWWPDB D_1000095823 \n# \nloop_\n_pdbx_database_related.db_name \n_pdbx_database_related.db_id \n_pdbx_database_related.details \n_pdbx_database_related.content_type \nPDB 3POZ . unspecified \nPDB 3W33 . unspecified \n# \n_pdbx_database_status.status_code REL \n_pdbx_database_status.entry_id 3W32 \n_pdbx_database_status.recvd_initial_deposition_date 2012-12-07 \n_pdbx_database_status.deposit_site PDBJ \n_pdbx_database_status.process_site PDBJ \n_pdbx_database_status.methods_development_category ? \n_pdbx_database_status.status_code_sf REL \n_pdbx_database_status.status_code_mr ? \n_pdbx_database_status.SG_entry ? \n_pdbx_database_status.status_code_cs ? \n_pdbx_database_status.pdb_format_compatible Y \n# \nloop_\n_audit_author.name \n_audit_author.pdbx_ordinal \n'Sogabe, S.' 1 \n'Kawakita, Y.' 2 \n# \n_citation.id primary \n_citation.title 'Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors' \n_citation.journal_abbrev Bioorg.Med.Chem. \n_citation.journal_volume 21 \n_citation.page_first 2250 \n_citation.page_last 2261 \n_citation.year 2013 \n_citation.journal_id_ASTM BMECEP \n_citation.country UK \n_citation.journal_id_ISSN 0968-0896 \n_citation.journal_id_CSD 1200 \n_citation.book_publisher ? \n_citation.pdbx_database_id_PubMed 23490150 \n_citation.pdbx_database_id_DOI 10.1016/j.bmc.2013.02.014 \n# \nloop_\n_citation_author.citation_id \n_citation_author.name \n_citation_author.ordinal \nprimary 'Kawakita, Y.' 1 \nprimary 'Seto, M.' 2 \nprimary 'Ohashi, T.' 3 \nprimary 'Tamura, T.' 4 \nprimary 'Yusa, T.' 5 \nprimary 'Miki, H.' 6 \nprimary 'Iwata, H.' 7 \nprimary 'Kamiguchi, H.' 8 \nprimary 'Tanaka, T.' 9 \nprimary 'Sogabe, S.' 10 \nprimary 'Ohta, Y.' 11 \nprimary 'Ishikawa, T.' 12 \n# \n_cell.entry_id 3W32 \n_cell.length_a 46.443 \n_cell.length_b 68.306 \n_cell.length_c 103.273 \n_cell.angle_alpha 90.00 \n_cell.angle_beta 90.00 \n_cell.angle_gamma 90.00 \n_cell.Z_PDB 4 \n_cell.pdbx_unique_axis ? \n_cell.length_a_esd ? \n_cell.length_b_esd ? \n_cell.length_c_esd ? \n_cell.angle_alpha_esd ? \n_cell.angle_beta_esd ? \n_cell.angle_gamma_esd ? \n# \n_symmetry.entry_id 3W32 \n_symmetry.space_group_name_H-M 'P 21 21 21' \n_symmetry.pdbx_full_space_group_name_H-M ? \n_symmetry.cell_setting ? \n_symmetry.Int_Tables_number 19 \n_symmetry.space_group_name_Hall ? \n# \nloop_\n_entity.id \n_entity.type \n_entity.src_method \n_entity.pdbx_description \n_entity.formula_weight \n_entity.pdbx_number_of_molecules \n_entity.pdbx_ec \n_entity.pdbx_mutation \n_entity.pdbx_fragment \n_entity.details \n1 polymer man 'Epidermal growth factor receptor' 37563.457 1 2.7.10.1 ? 'Kinase domain, UNP residues 696-1022' ? \n2 non-polymer syn \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n581.994 1 ? ? ? ? \n3 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? \n4 water nat water 18.015 82 ? ? ? ? \n# \n_entity_name_com.entity_id 1 \n_entity_name_com.name 'Proto-oncogene c-ErbB-1, Receptor tyrosine-protein kinase erbB-1' \n# \n_entity_poly.entity_id 1 \n_entity_poly.type 'polypeptide(L)' \n_entity_poly.nstd_linkage no \n_entity_poly.nstd_monomer no \n_entity_poly.pdbx_seq_one_letter_code \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_seq_one_letter_code_can \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_strand_id A \n_entity_poly.pdbx_target_identifier ? \n# \nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.num \n_entity_poly_seq.mon_id \n_entity_poly_seq.hetero \n1 1 GLY n \n1 2 ALA n \n1 3 MET n \n1 4 GLY n \n1 5 GLU n \n1 6 ALA n \n1 7 PRO n \n1 8 ASN n \n1 9 GLN n \n1 10 ALA n \n1 11 LEU n \n1 12 LEU n \n1 13 ARG n \n1 14 ILE n \n1 15 LEU n \n1 16 LYS n \n1 17 GLU n \n1 18 THR n \n1 19 GLU n \n1 20 PHE n \n1 21 LYS n \n1 22 LYS n \n1 23 ILE n \n1 24 LYS n \n1 25 VAL n \n1 26 LEU n \n1 27 GLY n \n1 28 SER n \n1 29 GLY n \n1 30 ALA n \n1 31 PHE n \n1 32 GLY n \n1 33 THR n \n1 34 VAL n \n1 35 TYR n \n1 36 LYS n \n1 37 GLY n \n1 38 LEU n \n1 39 TRP n \n1 40 ILE n \n1 41 PRO n \n1 42 GLU n \n1 43 GLY n \n1 44 GLU n \n1 45 LYS n \n1 46 VAL n \n1 47 LYS n \n1 48 ILE n \n1 49 PRO n \n1 50 VAL n \n1 51 ALA n \n1 52 ILE n \n1 53 LYS n \n1 54 GLU n \n1 55 LEU n \n1 56 ARG n \n1 57 GLU n \n1 58 ALA n \n1 59 THR n \n1 60 SER n \n1 61 PRO n \n1 62 LYS n \n1 63 ALA n \n1 64 ASN n \n1 65 LYS n \n1 66 GLU n \n1 67 ILE n \n1 68 LEU n \n1 69 ASP n \n1 70 GLU n \n1 71 ALA n \n1 72 TYR n \n1 73 VAL n \n1 74 MET n \n1 75 ALA n \n1 76 SER n \n1 77 VAL n \n1 78 ASP n \n1 79 ASN n \n1 80 PRO n \n1 81 HIS n \n1 82 VAL n \n1 83 CYS n \n1 84 ARG n \n1 85 LEU n \n1 86 LEU n \n1 87 GLY n \n1 88 ILE n \n1 89 CYS n \n1 90 LEU n \n1 91 THR n \n1 92 SER n \n1 93 THR n \n1 94 VAL n \n1 95 GLN n \n1 96 LEU n \n1 97 ILE n \n1 98 THR n \n1 99 GLN n \n1 100 LEU n \n1 101 MET n \n1 102 PRO n \n1 103 PHE n \n1 104 GLY n \n1 105 CYS n \n1 106 LEU n \n1 107 LEU n \n1 108 ASP n \n1 109 TYR n \n1 110 VAL n \n1 111 ARG n \n1 112 GLU n \n1 113 HIS n \n1 114 LYS n \n1 115 ASP n \n1 116 ASN n \n1 117 ILE n \n1 118 GLY n \n1 119 SER n \n1 120 GLN n \n1 121 TYR n \n1 122 LEU n \n1 123 LEU n \n1 124 ASN n \n1 125 TRP n \n1 126 CYS n \n1 127 VAL n \n1 128 GLN n \n1 129 ILE n \n1 130 ALA n \n1 131 LYS n \n1 132 GLY n \n1 133 MET n \n1 134 ASN n \n1 135 TYR n \n1 136 LEU n \n1 137 GLU n \n1 138 ASP n \n1 139 ARG n \n1 140 ARG n \n1 141 LEU n \n1 142 VAL n \n1 143 HIS n \n1 144 ARG n \n1 145 ASP n \n1 146 LEU n \n1 147 ALA n \n1 148 ALA n \n1 149 ARG n \n1 150 ASN n \n1 151 VAL n \n1 152 LEU n \n1 153 VAL n \n1 154 LYS n \n1 155 THR n \n1 156 PRO n \n1 157 GLN n \n1 158 HIS n \n1 159 VAL n \n1 160 LYS n \n1 161 ILE n \n1 162 THR n \n1 163 ASP n \n1 164 PHE n \n1 165 GLY n \n1 166 LEU n \n1 167 ALA n \n1 168 LYS n \n1 169 LEU n \n1 170 LEU n \n1 171 GLY n \n1 172 ALA n \n1 173 GLU n \n1 174 GLU n \n1 175 LYS n \n1 176 GLU n \n1 177 TYR n \n1 178 HIS n \n1 179 ALA n \n1 180 GLU n \n1 181 GLY n \n1 182 GLY n \n1 183 LYS n \n1 184 VAL n \n1 185 PRO n \n1 186 ILE n \n1 187 LYS n \n1 188 TRP n \n1 189 MET n \n1 190 ALA n \n1 191 LEU n \n1 192 GLU n \n1 193 SER n \n1 194 ILE n \n1 195 LEU n \n1 196 HIS n \n1 197 ARG n \n1 198 ILE n \n1 199 TYR n \n1 200 THR n \n1 201 HIS n \n1 202 GLN n \n1 203 SER n \n1 204 ASP n \n1 205 VAL n \n1 206 TRP n \n1 207 SER n \n1 208 TYR n \n1 209 GLY n \n1 210 VAL n \n1 211 THR n \n1 212 VAL n \n1 213 TRP n \n1 214 GLU n \n1 215 LEU n \n1 216 MET n \n1 217 THR n \n1 218 PHE n \n1 219 GLY n \n1 220 SER n \n1 221 LYS n \n1 222 PRO n \n1 223 TYR n \n1 224 ASP n \n1 225 GLY n \n1 226 ILE n \n1 227 PRO n \n1 228 ALA n \n1 229 SER n \n1 230 GLU n \n1 231 ILE n \n1 232 SER n \n1 233 SER n \n1 234 ILE n \n1 235 LEU n \n1 236 GLU n \n1 237 LYS n \n1 238 GLY n \n1 239 GLU n \n1 240 ARG n \n1 241 LEU n \n1 242 PRO n \n1 243 GLN n \n1 244 PRO n \n1 245 PRO n \n1 246 ILE n \n1 247 CYS n \n1 248 THR n \n1 249 ILE n \n1 250 ASP n \n1 251 VAL n \n1 252 TYR n \n1 253 MET n \n1 254 ILE n \n1 255 MET n \n1 256 VAL n \n1 257 LYS n \n1 258 CYS n \n1 259 TRP n \n1 260 MET n \n1 261 ILE n \n1 262 ASP n \n1 263 ALA n \n1 264 ASP n \n1 265 SER n \n1 266 ARG n \n1 267 PRO n \n1 268 LYS n \n1 269 PHE n \n1 270 ARG n \n1 271 GLU n \n1 272 LEU n \n1 273 ILE n \n1 274 ILE n \n1 275 GLU n \n1 276 PHE n \n1 277 SER n \n1 278 LYS n \n1 279 MET n \n1 280 ALA n \n1 281 ARG n \n1 282 ASP n \n1 283 PRO n \n1 284 GLN n \n1 285 ARG n \n1 286 TYR n \n1 287 LEU n \n1 288 VAL n \n1 289 ILE n \n1 290 GLN n \n1 291 GLY n \n1 292 ASP n \n1 293 GLU n \n1 294 ARG n \n1 295 MET n \n1 296 HIS n \n1 297 LEU n \n1 298 PRO n \n1 299 SER n \n1 300 PRO n \n1 301 THR n \n1 302 ASP n \n1 303 SER n \n1 304 ASN n \n1 305 PHE n \n1 306 TYR n \n1 307 ARG n \n1 308 ALA n \n1 309 LEU n \n1 310 MET n \n1 311 ASP n \n1 312 GLU n \n1 313 GLU n \n1 314 ASP n \n1 315 MET n \n1 316 ASP n \n1 317 ASP n \n1 318 VAL n \n1 319 VAL n \n1 320 ASP n \n1 321 ALA n \n1 322 ASP n \n1 323 GLU n \n1 324 TYR n \n1 325 LEU n \n1 326 ILE n \n1 327 PRO n \n1 328 GLN n \n1 329 GLN n \n1 330 GLY n \n# \n_entity_src_gen.entity_id 1 \n_entity_src_gen.pdbx_src_id 1 \n_entity_src_gen.pdbx_alt_source_flag sample \n_entity_src_gen.pdbx_seq_type ? \n_entity_src_gen.pdbx_beg_seq_num ? \n_entity_src_gen.pdbx_end_seq_num ? \n_entity_src_gen.gene_src_common_name human \n_entity_src_gen.gene_src_genus ? \n_entity_src_gen.pdbx_gene_src_gene 'EGFR, ERBB, ERBB1, HER1' \n_entity_src_gen.gene_src_species ? \n_entity_src_gen.gene_src_strain ? \n_entity_src_gen.gene_src_tissue ? \n_entity_src_gen.gene_src_tissue_fraction ? \n_entity_src_gen.gene_src_details ? \n_entity_src_gen.pdbx_gene_src_fragment ? \n_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' \n_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 \n_entity_src_gen.pdbx_gene_src_variant ? \n_entity_src_gen.pdbx_gene_src_cell_line ? \n_entity_src_gen.pdbx_gene_src_atcc ? \n_entity_src_gen.pdbx_gene_src_organ ? \n_entity_src_gen.pdbx_gene_src_organelle ? \n_entity_src_gen.pdbx_gene_src_cell ? \n_entity_src_gen.pdbx_gene_src_cellular_location ? \n_entity_src_gen.host_org_common_name ? \n_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' \n_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 \n_entity_src_gen.host_org_genus ? \n_entity_src_gen.pdbx_host_org_gene ? \n_entity_src_gen.pdbx_host_org_organ ? \n_entity_src_gen.host_org_species ? \n_entity_src_gen.pdbx_host_org_tissue ? \n_entity_src_gen.pdbx_host_org_tissue_fraction ? \n_entity_src_gen.pdbx_host_org_strain ? \n_entity_src_gen.pdbx_host_org_variant ? \n_entity_src_gen.pdbx_host_org_cell_line Sf9 \n_entity_src_gen.pdbx_host_org_atcc ? \n_entity_src_gen.pdbx_host_org_culture_collection ? \n_entity_src_gen.pdbx_host_org_cell ? \n_entity_src_gen.pdbx_host_org_organelle ? \n_entity_src_gen.pdbx_host_org_cellular_location ? \n_entity_src_gen.pdbx_host_org_vector_type baculovirus \n_entity_src_gen.pdbx_host_org_vector ? \n_entity_src_gen.host_org_details ? \n_entity_src_gen.expression_system_id ? \n_entity_src_gen.plasmid_name pFastBac1 \n_entity_src_gen.plasmid_details ? \n_entity_src_gen.pdbx_description ? \n# \n_struct_ref.id 1 \n_struct_ref.db_name UNP \n_struct_ref.db_code EGFR_HUMAN \n_struct_ref.pdbx_db_accession P00533 \n_struct_ref.entity_id 1 \n_struct_ref.pdbx_seq_one_letter_code \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_struct_ref.pdbx_align_begin 696 \n_struct_ref.pdbx_db_isoform ? \n# \n_struct_ref_seq.align_id 1 \n_struct_ref_seq.ref_id 1 \n_struct_ref_seq.pdbx_PDB_id_code 3W32 \n_struct_ref_seq.pdbx_strand_id A \n_struct_ref_seq.seq_align_beg 4 \n_struct_ref_seq.pdbx_seq_align_beg_ins_code ? \n_struct_ref_seq.seq_align_end 330 \n_struct_ref_seq.pdbx_seq_align_end_ins_code ? \n_struct_ref_seq.pdbx_db_accession P00533 \n_struct_ref_seq.db_align_beg 696 \n_struct_ref_seq.pdbx_db_align_beg_ins_code ? \n_struct_ref_seq.db_align_end 1022 \n_struct_ref_seq.pdbx_db_align_end_ins_code ? \n_struct_ref_seq.pdbx_auth_seq_align_beg 696 \n_struct_ref_seq.pdbx_auth_seq_align_end 1022 \n# \nloop_\n_struct_ref_seq_dif.align_id \n_struct_ref_seq_dif.pdbx_pdb_id_code \n_struct_ref_seq_dif.mon_id \n_struct_ref_seq_dif.pdbx_pdb_strand_id \n_struct_ref_seq_dif.seq_num \n_struct_ref_seq_dif.pdbx_pdb_ins_code \n_struct_ref_seq_dif.pdbx_seq_db_name \n_struct_ref_seq_dif.pdbx_seq_db_accession_code \n_struct_ref_seq_dif.db_mon_id \n_struct_ref_seq_dif.pdbx_seq_db_seq_num \n_struct_ref_seq_dif.details \n_struct_ref_seq_dif.pdbx_auth_seq_num \n_struct_ref_seq_dif.pdbx_ordinal \n1 3W32 GLY A 1 ? UNP P00533 ? ? 'EXPRESSION TAG' 693 1 \n1 3W32 ALA A 2 ? UNP P00533 ? ? 'EXPRESSION TAG' 694 2 \n1 3W32 MET A 3 ? UNP P00533 ? ? 'EXPRESSION TAG' 695 3 \n# \nloop_\n_chem_comp.id \n_chem_comp.type \n_chem_comp.mon_nstd_flag \n_chem_comp.name \n_chem_comp.pdbx_synonyms \n_chem_comp.formula \n_chem_comp.formula_weight \nALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 \nARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 \nASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 \nASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 \nCYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 \nGLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 \nGLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 \nGLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 \nHIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 \nHOH non-polymer . WATER ? 'H2 O' 18.015 \nILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 \nLEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 \nLYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 \nMET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 \nPHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 \nPRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 \nSER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 \nSO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 \nTHR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 \nTRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 \nTYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 \nVAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 \nW32 non-polymer . \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n? 'C25 H23 Cl F3 N5 O4 S' 581.994 \n# \n_exptl.entry_id 3W32 \n_exptl.method 'X-RAY DIFFRACTION' \n_exptl.crystals_number 1 \n# \n_exptl_crystal.id 1 \n_exptl_crystal.density_meas ? \n_exptl_crystal.density_Matthews 2.18 \n_exptl_crystal.density_percent_sol 43.59 \n_exptl_crystal.description ? \n_exptl_crystal.F_000 ? \n_exptl_crystal.preparation ? \n# \n_exptl_crystal_grow.crystal_id 1 \n_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' \n_exptl_crystal_grow.temp 298 \n_exptl_crystal_grow.temp_details ? \n_exptl_crystal_grow.pH 5.5 \n_exptl_crystal_grow.pdbx_pH_range ? \n_exptl_crystal_grow.pdbx_details \n'0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K' \n# \n_diffrn.id 1 \n_diffrn.ambient_temp 100 \n_diffrn.ambient_temp_details ? \n_diffrn.crystal_id 1 \n# \n_diffrn_detector.diffrn_id 1 \n_diffrn_detector.detector CCD \n_diffrn_detector.type 'ADSC QUANTUM 315r' \n_diffrn_detector.pdbx_collection_date 2011-12-21 \n_diffrn_detector.details ? \n# \n_diffrn_radiation.diffrn_id 1 \n_diffrn_radiation.wavelength_id 1 \n_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M \n_diffrn_radiation.monochromator ? \n_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' \n_diffrn_radiation.pdbx_scattering_type x-ray \n# \n_diffrn_radiation_wavelength.id 1 \n_diffrn_radiation_wavelength.wavelength 0.97649 \n_diffrn_radiation_wavelength.wt 1.0 \n# \n_diffrn_source.diffrn_id 1 \n_diffrn_source.source SYNCHROTRON \n_diffrn_source.type 'ALS BEAMLINE 5.0.3' \n_diffrn_source.pdbx_synchrotron_site ALS \n_diffrn_source.pdbx_synchrotron_beamline 5.0.3 \n_diffrn_source.pdbx_wavelength ? \n_diffrn_source.pdbx_wavelength_list 0.97649 \n# \n_reflns.pdbx_diffrn_id 1 \n_reflns.pdbx_ordinal 1 \n_reflns.entry_id 3W32 \n_reflns.observed_criterion_sigma_I ? \n_reflns.observed_criterion_sigma_F ? \n_reflns.d_resolution_low 50 \n_reflns.d_resolution_high 1.8 \n_reflns.number_obs 30817 \n_reflns.number_all ? \n_reflns.percent_possible_obs 99.7 \n_reflns.pdbx_Rmerge_I_obs ? \n_reflns.pdbx_Rsym_value 0.054 \n_reflns.pdbx_netI_over_sigmaI 26.1 \n_reflns.B_iso_Wilson_estimate ? \n_reflns.pdbx_redundancy 4.8 \n_reflns.R_free_details ? \n_reflns.limit_h_max ? \n_reflns.limit_h_min ? \n_reflns.limit_k_max ? \n_reflns.limit_k_min ? \n_reflns.limit_l_max ? \n_reflns.limit_l_min ? \n_reflns.observed_criterion_F_max ? \n_reflns.observed_criterion_F_min ? \n_reflns.pdbx_chi_squared ? \n_reflns.pdbx_scaling_rejects ? \n# \n_reflns_shell.pdbx_diffrn_id 1 \n_reflns_shell.pdbx_ordinal 1 \n_reflns_shell.d_res_high 1.8 \n_reflns_shell.d_res_low 1.83 \n_reflns_shell.percent_possible_all 99.9 \n_reflns_shell.Rmerge_I_obs ? \n_reflns_shell.pdbx_Rsym_value 0.898 \n_reflns_shell.meanI_over_sigI_obs 2.0 \n_reflns_shell.pdbx_redundancy 4.9 \n_reflns_shell.percent_possible_obs ? \n_reflns_shell.number_unique_all ? \n_reflns_shell.number_measured_all ? \n_reflns_shell.number_measured_obs ? \n_reflns_shell.number_unique_obs ? \n_reflns_shell.pdbx_chi_squared ? \n# \n_refine.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine.entry_id 3W32 \n_refine.pdbx_diffrn_id 1 \n_refine.pdbx_TLS_residual_ADP_flag ? \n_refine.ls_number_reflns_obs 29096 \n_refine.ls_number_reflns_all ? \n_refine.pdbx_ls_sigma_I ? \n_refine.pdbx_ls_sigma_F . \n_refine.pdbx_data_cutoff_high_absF ? \n_refine.pdbx_data_cutoff_low_absF ? \n_refine.pdbx_data_cutoff_high_rms_absF ? \n_refine.ls_d_res_low 40.00 \n_refine.ls_d_res_high 1.80 \n_refine.ls_percent_reflns_obs 98.97 \n_refine.ls_R_factor_obs 0.20219 \n_refine.ls_R_factor_all ? \n_refine.ls_R_factor_R_work 0.20045 \n_refine.ls_R_factor_R_free 0.23552 \n_refine.ls_R_factor_R_free_error ? \n_refine.ls_R_factor_R_free_error_details ? \n_refine.ls_percent_reflns_R_free 5.0 \n_refine.ls_number_reflns_R_free 1539 \n_refine.ls_number_parameters ? \n_refine.ls_number_restraints ? \n_refine.occupancy_min ? \n_refine.occupancy_max ? \n_refine.correlation_coeff_Fo_to_Fc 0.962 \n_refine.correlation_coeff_Fo_to_Fc_free 0.943 \n_refine.B_iso_mean 46.448 \n_refine.aniso_B[1][1] 3.86 \n_refine.aniso_B[2][2] 0.11 \n_refine.aniso_B[3][3] -3.97 \n_refine.aniso_B[1][2] -0.00 \n_refine.aniso_B[1][3] -0.00 \n_refine.aniso_B[2][3] -0.00 \n_refine.solvent_model_details MASK \n_refine.solvent_model_param_ksol ? \n_refine.solvent_model_param_bsol ? \n_refine.pdbx_solvent_vdw_probe_radii 1.40 \n_refine.pdbx_solvent_ion_probe_radii 0.80 \n_refine.pdbx_solvent_shrinkage_radii 0.80 \n_refine.pdbx_ls_cross_valid_method THROUGHOUT \n_refine.details ? \n_refine.pdbx_starting_model 1XKK \n_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' \n_refine.pdbx_isotropic_thermal_model ? \n_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' \n_refine.pdbx_stereochem_target_val_spec_case ? \n_refine.pdbx_R_Free_selection_details RANDOM \n_refine.pdbx_overall_ESU_R 0.141 \n_refine.pdbx_overall_ESU_R_Free 0.131 \n_refine.overall_SU_ML 0.103 \n_refine.pdbx_overall_phase_error ? \n_refine.overall_SU_B 6.930 \n_refine.overall_SU_R_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_Blow_DPI ? \n_refine.pdbx_overall_SU_R_free_Blow_DPI ? \n_refine.ls_redundancy_reflns_obs ? \n_refine.B_iso_min ? \n_refine.B_iso_max ? \n_refine.overall_SU_R_free ? \n_refine.ls_wR_factor_R_free ? \n_refine.ls_wR_factor_R_work ? \n_refine.overall_FOM_free_R_set ? \n_refine.overall_FOM_work_R_set ? \n# \n_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_hist.cycle_id LAST \n_refine_hist.pdbx_number_atoms_protein 2545 \n_refine_hist.pdbx_number_atoms_nucleic_acid 0 \n_refine_hist.pdbx_number_atoms_ligand 44 \n_refine_hist.number_atoms_solvent 82 \n_refine_hist.number_atoms_total 2671 \n_refine_hist.d_res_high 1.80 \n_refine_hist.d_res_low 40.00 \n# \nloop_\n_refine_ls_restr.type \n_refine_ls_restr.dev_ideal \n_refine_ls_restr.dev_ideal_target \n_refine_ls_restr.weight \n_refine_ls_restr.number \n_refine_ls_restr.pdbx_refine_id \n_refine_ls_restr.pdbx_restraint_function \nr_bond_refined_d 0.009 0.019 ? 2647 'X-RAY DIFFRACTION' ? \nr_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_angle_refined_deg 1.362 1.995 ? 3587 'X-RAY DIFFRACTION' ? \nr_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_1_deg 5.462 5.000 ? 316 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_2_deg 34.868 24.123 ? 114 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_3_deg 14.009 15.000 ? 481 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_4_deg 16.236 15.000 ? 16 'X-RAY DIFFRACTION' ? \nr_chiral_restr 0.092 0.200 ? 393 'X-RAY DIFFRACTION' ? \nr_gen_planes_refined 0.006 0.021 ? 2017 'X-RAY DIFFRACTION' ? \nr_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? \n# \n_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_ls_shell.pdbx_total_number_of_bins_used 20 \n_refine_ls_shell.d_res_high 1.805 \n_refine_ls_shell.d_res_low 1.852 \n_refine_ls_shell.number_reflns_R_work 2043 \n_refine_ls_shell.R_factor_R_work 0.307 \n_refine_ls_shell.percent_reflns_obs 95.73 \n_refine_ls_shell.R_factor_R_free 0.344 \n_refine_ls_shell.R_factor_R_free_error ? \n_refine_ls_shell.percent_reflns_R_free ? \n_refine_ls_shell.number_reflns_R_free 110 \n_refine_ls_shell.number_reflns_all ? \n_refine_ls_shell.R_factor_all ? \n_refine_ls_shell.redundancy_reflns_obs ? \n_refine_ls_shell.number_reflns_obs ? \n# \n_struct.entry_id 3W32 \n_struct.title 'EGFR kinase domain complexed with compound 20a' \n_struct.pdbx_descriptor 'Epidermal growth factor receptor (E.C.2.7.10.1)' \n_struct.pdbx_model_details ? \n_struct.pdbx_CASP_flag ? \n_struct.pdbx_model_type_details ? \n# \n_struct_keywords.entry_id 3W32 \n_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' \n_struct_keywords.text \n'ANTI-ONCOGENE, CELL CYCLE, DISEASE MUTATION, KINASE DOMAIN, RECEPTOR, TRANSFERASE-TRANSFERASE INHIBITOR complex' \n# \nloop_\n_struct_asym.id \n_struct_asym.pdbx_blank_PDB_chainid_flag \n_struct_asym.pdbx_modified \n_struct_asym.entity_id \n_struct_asym.details \nA N N 1 ? \nB N N 2 ? \nC N N 3 ? \nD N N 4 ? \n# \n_struct_biol.id 1 \n_struct_biol.details ? \n# \nloop_\n_struct_conf.conf_type_id \n_struct_conf.id \n_struct_conf.pdbx_PDB_helix_id \n_struct_conf.beg_label_comp_id \n_struct_conf.beg_label_asym_id \n_struct_conf.beg_label_seq_id \n_struct_conf.pdbx_beg_PDB_ins_code \n_struct_conf.end_label_comp_id \n_struct_conf.end_label_asym_id \n_struct_conf.end_label_seq_id \n_struct_conf.pdbx_end_PDB_ins_code \n_struct_conf.beg_auth_comp_id \n_struct_conf.beg_auth_asym_id \n_struct_conf.beg_auth_seq_id \n_struct_conf.end_auth_comp_id \n_struct_conf.end_auth_asym_id \n_struct_conf.end_auth_seq_id \n_struct_conf.pdbx_PDB_helix_class \n_struct_conf.details \n_struct_conf.pdbx_PDB_helix_length \nHELX_P HELX_P1 1 LYS A 16 ? THR A 18 ? LYS A 708 THR A 710 5 ? 3 \nHELX_P HELX_P2 2 ALA A 63 ? VAL A 77 ? ALA A 755 VAL A 769 1 ? 15 \nHELX_P HELX_P3 3 CYS A 105 ? LYS A 114 ? CYS A 797 LYS A 806 1 ? 10 \nHELX_P HELX_P4 4 ASP A 115 ? ILE A 117 ? ASP A 807 ILE A 809 5 ? 3 \nHELX_P HELX_P5 5 GLY A 118 ? ARG A 139 ? GLY A 810 ARG A 831 1 ? 22 \nHELX_P HELX_P6 6 ALA A 147 ? ARG A 149 ? ALA A 839 ARG A 841 5 ? 3 \nHELX_P HELX_P7 7 GLY A 165 ? LEU A 170 ? GLY A 857 LEU A 862 1 ? 6 \nHELX_P HELX_P8 8 GLU A 174 ? GLU A 180 ? GLU A 866 GLU A 872 1 ? 7 \nHELX_P HELX_P9 9 PRO A 185 ? MET A 189 ? PRO A 877 MET A 881 5 ? 5 \nHELX_P HELX_P10 10 ALA A 190 ? ARG A 197 ? ALA A 882 ARG A 889 1 ? 8 \nHELX_P HELX_P11 11 THR A 200 ? THR A 217 ? THR A 892 THR A 909 1 ? 18 \nHELX_P HELX_P12 12 PRO A 227 ? SER A 229 ? PRO A 919 SER A 921 5 ? 3 \nHELX_P HELX_P13 13 GLU A 230 ? LYS A 237 ? GLU A 922 LYS A 929 1 ? 8 \nHELX_P HELX_P14 14 THR A 248 ? TRP A 259 ? THR A 940 TRP A 951 1 ? 12 \nHELX_P HELX_P15 15 ASP A 262 ? ARG A 266 ? ASP A 954 ARG A 958 5 ? 5 \nHELX_P HELX_P16 16 LYS A 268 ? ALA A 280 ? LYS A 960 ALA A 972 1 ? 13 \nHELX_P HELX_P17 17 ASP A 282 ? LEU A 287 ? ASP A 974 LEU A 979 1 ? 6 \nHELX_P HELX_P18 18 GLY A 291 ? MET A 295 ? GLY A 983 MET A 987 5 ? 5 \nHELX_P HELX_P19 19 SER A 299 ? ASP A 302 ? SER A 991 ASP A 994 5 ? 4 \nHELX_P HELX_P20 20 SER A 303 ? ASP A 311 ? SER A 995 ASP A 1003 1 ? 9 \nHELX_P HELX_P21 21 ASP A 320 ? LEU A 325 ? ASP A 1012 LEU A 1017 1 ? 6 \n# \n_struct_conf_type.id HELX_P \n_struct_conf_type.criteria ? \n_struct_conf_type.reference ? \n# \nloop_\n_struct_sheet.id \n_struct_sheet.type \n_struct_sheet.number_strands \n_struct_sheet.details \nA ? 6 ? \nB ? 2 ? \n# \nloop_\n_struct_sheet_order.sheet_id \n_struct_sheet_order.range_id_1 \n_struct_sheet_order.range_id_2 \n_struct_sheet_order.offset \n_struct_sheet_order.sense \nA 1 2 ? parallel \nA 2 3 ? anti-parallel \nA 3 4 ? anti-parallel \nA 4 5 ? anti-parallel \nA 5 6 ? anti-parallel \nB 1 2 ? anti-parallel \n# \nloop_\n_struct_sheet_range.sheet_id \n_struct_sheet_range.id \n_struct_sheet_range.beg_label_comp_id \n_struct_sheet_range.beg_label_asym_id \n_struct_sheet_range.beg_label_seq_id \n_struct_sheet_range.pdbx_beg_PDB_ins_code \n_struct_sheet_range.end_label_comp_id \n_struct_sheet_range.end_label_asym_id \n_struct_sheet_range.end_label_seq_id \n_struct_sheet_range.pdbx_end_PDB_ins_code \n_struct_sheet_range.beg_auth_comp_id \n_struct_sheet_range.beg_auth_asym_id \n_struct_sheet_range.beg_auth_seq_id \n_struct_sheet_range.end_auth_comp_id \n_struct_sheet_range.end_auth_asym_id \n_struct_sheet_range.end_auth_seq_id \nA 1 ARG A 13 ? ILE A 14 ? ARG A 705 ILE A 706 \nA 2 LEU A 85 ? LEU A 90 ? LEU A 777 LEU A 782 \nA 3 VAL A 94 ? GLN A 99 ? VAL A 786 GLN A 791 \nA 4 ILE A 48 ? LEU A 55 ? ILE A 740 LEU A 747 \nA 5 GLY A 32 ? TRP A 39 ? GLY A 724 TRP A 731 \nA 6 PHE A 20 ? SER A 28 ? PHE A 712 SER A 720 \nB 1 VAL A 151 ? THR A 155 ? VAL A 843 THR A 847 \nB 2 HIS A 158 ? ILE A 161 ? HIS A 850 ILE A 853 \n# \nloop_\n_pdbx_struct_sheet_hbond.sheet_id \n_pdbx_struct_sheet_hbond.range_id_1 \n_pdbx_struct_sheet_hbond.range_id_2 \n_pdbx_struct_sheet_hbond.range_1_label_atom_id \n_pdbx_struct_sheet_hbond.range_1_label_comp_id \n_pdbx_struct_sheet_hbond.range_1_label_asym_id \n_pdbx_struct_sheet_hbond.range_1_label_seq_id \n_pdbx_struct_sheet_hbond.range_1_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_1_auth_atom_id \n_pdbx_struct_sheet_hbond.range_1_auth_comp_id \n_pdbx_struct_sheet_hbond.range_1_auth_asym_id \n_pdbx_struct_sheet_hbond.range_1_auth_seq_id \n_pdbx_struct_sheet_hbond.range_2_label_atom_id \n_pdbx_struct_sheet_hbond.range_2_label_comp_id \n_pdbx_struct_sheet_hbond.range_2_label_asym_id \n_pdbx_struct_sheet_hbond.range_2_label_seq_id \n_pdbx_struct_sheet_hbond.range_2_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_2_auth_atom_id \n_pdbx_struct_sheet_hbond.range_2_auth_comp_id \n_pdbx_struct_sheet_hbond.range_2_auth_asym_id \n_pdbx_struct_sheet_hbond.range_2_auth_seq_id \nA 1 2 N ARG A 13 ? N ARG A 705 O ILE A 88 ? O ILE A 780 \nA 2 3 N GLY A 87 ? N GLY A 779 O ILE A 97 ? O ILE A 789 \nA 3 4 O LEU A 96 ? O LEU A 788 N LYS A 53 ? N LYS A 745 \nA 4 5 O ILE A 48 ? O ILE A 740 N TRP A 39 ? N TRP A 731 \nA 5 6 O LYS A 36 ? O LYS A 728 N ILE A 23 ? N ILE A 715 \nB 1 2 N LEU A 152 ? N LEU A 844 O LYS A 160 ? O LYS A 852 \n# \nloop_\n_struct_site.id \n_struct_site.pdbx_evidence_code \n_struct_site.pdbx_auth_asym_id \n_struct_site.pdbx_auth_comp_id \n_struct_site.pdbx_auth_seq_id \n_struct_site.pdbx_auth_ins_code \n_struct_site.pdbx_num_residues \n_struct_site.details \nAC1 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE W32 A 1101' \nAC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1102' \n# \nloop_\n_struct_site_gen.id \n_struct_site_gen.site_id \n_struct_site_gen.pdbx_num_res \n_struct_site_gen.label_comp_id \n_struct_site_gen.label_asym_id \n_struct_site_gen.label_seq_id \n_struct_site_gen.pdbx_auth_ins_code \n_struct_site_gen.auth_comp_id \n_struct_site_gen.auth_asym_id \n_struct_site_gen.auth_seq_id \n_struct_site_gen.label_atom_id \n_struct_site_gen.label_alt_id \n_struct_site_gen.symmetry \n_struct_site_gen.details \n1 AC1 20 SER A 28 ? SER A 720 . ? 1_555 ? \n2 AC1 20 ALA A 51 ? ALA A 743 . ? 1_555 ? \n3 AC1 20 LYS A 53 ? LYS A 745 . ? 1_555 ? \n4 AC1 20 MET A 74 ? MET A 766 . ? 1_555 ? \n5 AC1 20 CYS A 83 ? CYS A 775 . ? 1_555 ? \n6 AC1 20 ARG A 84 ? ARG A 776 . ? 1_555 ? \n7 AC1 20 LEU A 85 ? LEU A 777 . ? 1_555 ? \n8 AC1 20 LEU A 96 ? LEU A 788 . ? 1_555 ? \n9 AC1 20 THR A 98 ? THR A 790 . ? 1_555 ? \n10 AC1 20 GLN A 99 ? GLN A 791 . ? 1_555 ? \n11 AC1 20 LEU A 100 ? LEU A 792 . ? 1_555 ? \n12 AC1 20 MET A 101 ? MET A 793 . ? 1_555 ? \n13 AC1 20 LEU A 152 ? LEU A 844 . ? 1_555 ? \n14 AC1 20 THR A 162 ? THR A 854 . ? 1_555 ? \n15 AC1 20 ASP A 163 ? ASP A 855 . ? 1_555 ? \n16 AC1 20 PHE A 164 ? PHE A 856 . ? 1_555 ? \n17 AC1 20 ASP A 250 ? ASP A 942 . ? 3_655 ? \n18 AC1 20 PHE A 305 ? PHE A 997 . ? 1_555 ? \n19 AC1 20 HOH D . ? HOH A 2001 . ? 1_555 ? \n20 AC1 20 HOH D . ? HOH A 2010 . ? 1_555 ? \n21 AC2 4 ARG A 111 ? ARG A 803 . ? 1_555 ? \n22 AC2 4 LYS A 221 ? LYS A 913 . ? 1_555 ? \n23 AC2 4 ARG A 285 ? ARG A 977 . ? 3_655 ? \n24 AC2 4 HOH D . ? HOH A 2037 . ? 1_555 ? \n# \n_database_PDB_matrix.entry_id 3W32 \n_database_PDB_matrix.origx[1][1] 1.000000 \n_database_PDB_matrix.origx[1][2] 0.000000 \n_database_PDB_matrix.origx[1][3] 0.000000 \n_database_PDB_matrix.origx[2][1] 0.000000 \n_database_PDB_matrix.origx[2][2] 1.000000 \n_database_PDB_matrix.origx[2][3] 0.000000 \n_database_PDB_matrix.origx[3][1] 0.000000 \n_database_PDB_matrix.origx[3][2] 0.000000 \n_database_PDB_matrix.origx[3][3] 1.000000 \n_database_PDB_matrix.origx_vector[1] 0.00000 \n_database_PDB_matrix.origx_vector[2] 0.00000 \n_database_PDB_matrix.origx_vector[3] 0.00000 \n# \n_atom_sites.entry_id 3W32 \n_atom_sites.fract_transf_matrix[1][1] 0.021532 \n_atom_sites.fract_transf_matrix[1][2] 0.000000 \n_atom_sites.fract_transf_matrix[1][3] 0.000000 \n_atom_sites.fract_transf_matrix[2][1] 0.000000 \n_atom_sites.fract_transf_matrix[2][2] 0.014640 \n_atom_sites.fract_transf_matrix[2][3] 0.000000 \n_atom_sites.fract_transf_matrix[3][1] 0.000000 \n_atom_sites.fract_transf_matrix[3][2] 0.000000 \n_atom_sites.fract_transf_matrix[3][3] 0.009683 \n_atom_sites.fract_transf_vector[1] 0.00000 \n_atom_sites.fract_transf_vector[2] 0.00000 \n_atom_sites.fract_transf_vector[3] 0.00000 \n# \nloop_\n_atom_type.symbol \nC \nCL \nF \nN \nO \nS \n# \nloop_\n_atom_site.group_PDB \n_atom_site.id \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.occupancy \n_atom_site.B_iso_or_equiv \n_atom_site.pdbx_formal_charge \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.pdbx_PDB_model_num \nATOM 1 N N . GLN A 1 9 ? -0.023 33.326 -4.411 1.00 47.95 ? 701 GLN A N 1 \nATOM 2 C CA . GLN A 1 9 ? -0.291 31.978 -3.835 1.00 50.95 ? 701 GLN A CA 1 \nATOM 3 C C . GLN A 1 9 ? 0.946 31.062 -3.957 1.00 47.20 ? 701 GLN A C 1 \nATOM 4 O O . GLN A 1 9 ? 0.876 29.863 -3.659 1.00 47.25 ? 701 GLN A O 1 \nATOM 5 C CB . GLN A 1 9 ? -1.501 31.341 -4.517 1.00 64.85 ? 701 GLN A CB 1 \nATOM 6 C CG . GLN A 1 9 ? -2.441 30.619 -3.562 1.00 84.93 ? 701 GLN A CG 1 \nATOM 7 C CD . GLN A 1 9 ? -3.514 29.816 -4.282 1.00 102.47 ? 701 GLN A CD 1 \nATOM 8 O OE1 . GLN A 1 9 ? -4.681 30.215 -4.329 1.00 95.64 ? 701 GLN A OE1 1 \nATOM 9 N NE2 . GLN A 1 9 ? -3.123 28.679 -4.849 1.00 100.38 ? 701 GLN A NE2 1 \nATOM 10 N N . ALA A 1 10 ? 2.069 31.642 -4.384 1.00 45.71 ? 702 ALA A N 1 \nATOM 11 C CA . ALA A 1 10 ? 3.343 30.929 -4.498 1.00 43.17 ? 702 ALA A CA 1 \nATOM 12 C C . ALA A 1 10 ? 3.775 30.322 -3.161 1.00 47.99 ? 702 ALA A C 1 \nATOM 13 O O . ALA A 1 10 ? 3.538 30.924 -2.110 1.00 44.37 ? 702 ALA A O 1 \nATOM 14 C CB . ALA A 1 10 ? 4.416 31.882 -5.023 1.00 42.30 ? 702 ALA A CB 1 \nATOM 15 N N . LEU A 1 11 ? 4.401 29.139 -3.199 1.00 38.24 ? 703 LEU A N 1 \nATOM 16 C CA . LEU A 1 11 ? 5.009 28.552 -2.003 1.00 37.89 ? 703 LEU A CA 1 \nATOM 17 C C . LEU A 1 11 ? 6.142 29.430 -1.494 1.00 37.81 ? 703 LEU A C 1 \nATOM 18 O O . LEU A 1 11 ? 6.222 29.735 -0.302 1.00 39.19 ? 703 LEU A O 1 \nATOM 19 C CB . LEU A 1 11 ? 5.530 27.130 -2.289 1.00 36.07 ? 703 LEU A CB 1 \nATOM 20 C CG . LEU A 1 11 ? 5.658 26.188 -1.082 1.00 46.85 ? 703 LEU A CG 1 \nATOM 21 C CD1 . LEU A 1 11 ? 4.475 26.310 -0.125 1.00 49.71 ? 703 LEU A CD1 1 \nATOM 22 C CD2 . LEU A 1 11 ? 5.791 24.740 -1.541 1.00 44.12 ? 703 LEU A CD2 1 \nATOM 23 N N . LEU A 1 12 ? 7.016 29.822 -2.415 1.00 33.81 ? 704 LEU A N 1 \nATOM 24 C CA . LEU A 1 12 ? 8.054 30.799 -2.155 1.00 32.97 ? 704 LEU A CA 1 \nATOM 25 C C . LEU A 1 12 ? 7.590 32.151 -2.677 1.00 34.88 ? 704 LEU A C 1 \nATOM 26 O O . LEU A 1 12 ? 7.644 32.424 -3.878 1.00 34.62 ? 704 LEU A O 1 \nATOM 27 C CB . LEU A 1 12 ? 9.371 30.386 -2.831 1.00 33.39 ? 704 LEU A CB 1 \nATOM 28 C CG . LEU A 1 12 ? 10.591 31.295 -2.585 1.00 38.51 ? 704 LEU A CG 1 \nATOM 29 C CD1 . LEU A 1 12 ? 10.953 31.361 -1.104 1.00 34.30 ? 704 LEU A CD1 1 \nATOM 30 C CD2 . LEU A 1 12 ? 11.796 30.854 -3.421 1.00 39.10 ? 704 LEU A CD2 1 \nATOM 31 N N . ARG A 1 13 ? 7.120 33.006 -1.775 1.00 35.37 ? 705 ARG A N 1 \nATOM 32 C CA . ARG A 1 13 ? 6.680 34.346 -2.183 1.00 37.73 ? 705 ARG A CA 1 \nATOM 33 C C . ARG A 1 13 ? 7.840 35.253 -2.555 1.00 41.05 ? 705 ARG A C 1 \nATOM 34 O O . ARG A 1 13 ? 8.844 35.319 -1.838 1.00 40.80 ? 705 ARG A O 1 \nATOM 35 C CB . ARG A 1 13 ? 5.837 34.997 -1.093 1.00 46.62 ? 705 ARG A CB 1 \nATOM 36 C CG . ARG A 1 13 ? 4.460 34.388 -0.965 1.00 48.65 ? 705 ARG A CG 1 \nATOM 37 C CD . ARG A 1 13 ? 3.829 34.763 0.358 1.00 65.57 ? 705 ARG A CD 1 \nATOM 38 N NE . ARG A 1 13 ? 2.514 35.377 0.173 1.00 86.68 ? 705 ARG A NE 1 \nATOM 39 C CZ . ARG A 1 13 ? 1.353 34.757 0.356 1.00 93.12 ? 705 ARG A CZ 1 \nATOM 40 N NH1 . ARG A 1 13 ? 1.317 33.485 0.736 1.00 98.53 ? 705 ARG A NH1 1 \nATOM 41 N NH2 . ARG A 1 13 ? 0.220 35.417 0.161 1.00 92.67 ? 705 ARG A NH2 1 \nATOM 42 N N . ILE A 1 14 ? 7.698 35.943 -3.686 1.00 39.60 ? 706 ILE A N 1 \nATOM 43 C CA . ILE A 1 14 ? 8.700 36.898 -4.116 1.00 43.49 ? 706 ILE A CA 1 \nATOM 44 C C . ILE A 1 14 ? 8.207 38.234 -3.610 1.00 47.29 ? 706 ILE A C 1 \nATOM 45 O O . ILE A 1 14 ? 7.260 38.798 -4.160 1.00 44.25 ? 706 ILE A O 1 \nATOM 46 C CB . ILE A 1 14 ? 8.837 36.961 -5.649 1.00 52.42 ? 706 ILE A CB 1 \nATOM 47 C CG1 . ILE A 1 14 ? 9.004 35.559 -6.256 1.00 51.04 ? 706 ILE A CG1 1 \nATOM 48 C CG2 . ILE A 1 14 ? 9.975 37.897 -6.048 1.00 53.78 ? 706 ILE A CG2 1 \nATOM 49 C CD1 . ILE A 1 14 ? 10.122 34.729 -5.654 1.00 43.80 ? 706 ILE A CD1 1 \nATOM 50 N N . LEU A 1 15 ? 8.836 38.729 -2.552 1.00 44.78 ? 707 LEU A N 1 \nATOM 51 C CA . LEU A 1 15 ? 8.365 39.947 -1.911 1.00 45.23 ? 707 LEU A CA 1 \nATOM 52 C C . LEU A 1 15 ? 9.109 41.154 -2.458 1.00 51.28 ? 707 LEU A C 1 \nATOM 53 O O . LEU A 1 15 ? 10.318 41.092 -2.692 1.00 49.23 ? 707 LEU A O 1 \nATOM 54 C CB . LEU A 1 15 ? 8.544 39.881 -0.391 1.00 47.65 ? 707 LEU A CB 1 \nATOM 55 C CG . LEU A 1 15 ? 8.012 38.705 0.428 1.00 54.52 ? 707 LEU A CG 1 \nATOM 56 C CD1 . LEU A 1 15 ? 8.324 38.928 1.896 1.00 43.38 ? 707 LEU A CD1 1 \nATOM 57 C CD2 . LEU A 1 15 ? 6.521 38.497 0.232 1.00 44.93 ? 707 LEU A CD2 1 \nATOM 58 N N . LYS A 1 16 ? 8.366 42.237 -2.676 1.00 49.18 ? 708 LYS A N 1 \nATOM 59 C CA . LYS A 1 16 ? 8.936 43.529 -3.035 1.00 61.50 ? 708 LYS A CA 1 \nATOM 60 C C . LYS A 1 16 ? 9.393 44.224 -1.768 1.00 50.76 ? 708 LYS A C 1 \nATOM 61 O O . LYS A 1 16 ? 8.770 44.070 -0.717 1.00 45.43 ? 708 LYS A O 1 \nATOM 62 C CB . LYS A 1 16 ? 7.891 44.407 -3.729 1.00 62.24 ? 708 LYS A CB 1 \nATOM 63 C CG . LYS A 1 16 ? 7.556 44.004 -5.157 1.00 77.38 ? 708 LYS A CG 1 \nATOM 64 C CD . LYS A 1 16 ? 6.048 43.943 -5.381 1.00 92.20 ? 708 LYS A CD 1 \nATOM 65 C CE . LYS A 1 16 ? 5.334 45.228 -4.984 1.00 96.25 ? 708 LYS A CE 1 \nATOM 66 N NZ . LYS A 1 16 ? 3.853 45.097 -5.081 1.00 100.00 ? 708 LYS A NZ 1 \nATOM 67 N N . GLU A 1 17 ? 10.473 44.994 -1.879 1.00 51.48 ? 709 GLU A N 1 \nATOM 68 C CA . GLU A 1 17 ? 11.019 45.768 -0.758 1.00 53.55 ? 709 GLU A CA 1 \nATOM 69 C C . GLU A 1 17 ? 9.963 46.612 -0.044 1.00 57.51 ? 709 GLU A C 1 \nATOM 70 O O . GLU A 1 17 ? 10.016 46.795 1.175 1.00 53.23 ? 709 GLU A O 1 \nATOM 71 C CB . GLU A 1 17 ? 12.169 46.651 -1.235 1.00 59.31 ? 709 GLU A CB 1 \nATOM 72 C CG . GLU A 1 17 ? 13.434 45.873 -1.562 1.00 72.06 ? 709 GLU A CG 1 \nATOM 73 C CD . GLU A 1 17 ? 14.597 46.768 -1.940 1.00 93.68 ? 709 GLU A CD 1 \nATOM 74 O OE1 . GLU A 1 17 ? 15.553 46.867 -1.141 1.00 83.68 ? 709 GLU A OE1 1 \nATOM 75 O OE2 . GLU A 1 17 ? 14.556 47.370 -3.037 1.00 102.62 ? 709 GLU A OE2 1 \nATOM 76 N N . THR A 1 18 ? 9.000 47.113 -0.809 1.00 57.55 ? 710 THR A N 1 \nATOM 77 C CA . THR A 1 18 ? 7.909 47.910 -0.252 1.00 61.28 ? 710 THR A CA 1 \nATOM 78 C C . THR A 1 18 ? 6.964 47.093 0.638 1.00 54.24 ? 710 THR A C 1 \nATOM 79 O O . THR A 1 18 ? 6.198 47.661 1.416 1.00 57.81 ? 710 THR A O 1 \nATOM 80 C CB . THR A 1 18 ? 7.093 48.606 -1.364 1.00 63.46 ? 710 THR A CB 1 \nATOM 81 O OG1 . THR A 1 18 ? 6.576 47.624 -2.275 1.00 63.38 ? 710 THR A OG1 1 \nATOM 82 C CG2 . THR A 1 18 ? 7.958 49.614 -2.128 1.00 61.93 ? 710 THR A CG2 1 \nATOM 83 N N . GLU A 1 19 ? 7.034 45.765 0.530 1.00 50.22 ? 711 GLU A N 1 \nATOM 84 C CA . GLU A 1 19 ? 6.124 44.862 1.239 1.00 56.68 ? 711 GLU A CA 1 \nATOM 85 C C . GLU A 1 19 ? 6.551 44.536 2.659 1.00 57.72 ? 711 GLU A C 1 \nATOM 86 O O . GLU A 1 19 ? 5.754 44.024 3.451 1.00 52.39 ? 711 GLU A O 1 \nATOM 87 C CB . GLU A 1 19 ? 6.023 43.535 0.507 1.00 61.93 ? 711 GLU A CB 1 \nATOM 88 C CG . GLU A 1 19 ? 5.118 43.514 -0.698 1.00 62.49 ? 711 GLU A CG 1 \nATOM 89 C CD . GLU A 1 19 ? 5.016 42.116 -1.252 1.00 59.26 ? 711 GLU A CD 1 \nATOM 90 O OE1 . GLU A 1 19 ? 5.574 41.880 -2.337 1.00 54.03 ? 711 GLU A OE1 1 \nATOM 91 O OE2 . GLU A 1 19 ? 4.413 41.250 -0.581 1.00 74.56 ? 711 GLU A OE2 1 \nATOM 92 N N . PHE A 1 20 ? 7.816 44.782 2.967 1.00 48.75 ? 712 PHE A N 1 \nATOM 93 C CA . PHE A 1 20 ? 8.343 44.449 4.291 1.00 54.26 ? 712 PHE A CA 1 \nATOM 94 C C . PHE A 1 20 ? 9.321 45.508 4.795 1.00 45.27 ? 712 PHE A C 1 \nATOM 95 O O . PHE A 1 20 ? 9.920 46.235 4.000 1.00 48.92 ? 712 PHE A O 1 \nATOM 96 C CB . PHE A 1 20 ? 8.976 43.045 4.294 1.00 46.56 ? 712 PHE A CB 1 \nATOM 97 C CG . PHE A 1 20 ? 10.222 42.928 3.457 1.00 42.91 ? 712 PHE A CG 1 \nATOM 98 C CD1 . PHE A 1 20 ? 11.483 43.010 4.046 1.00 51.07 ? 712 PHE A CD1 1 \nATOM 99 C CD2 . PHE A 1 20 ? 10.147 42.734 2.077 1.00 46.22 ? 712 PHE A CD2 1 \nATOM 100 C CE1 . PHE A 1 20 ? 12.644 42.902 3.285 1.00 44.32 ? 712 PHE A CE1 1 \nATOM 101 C CE2 . PHE A 1 20 ? 11.308 42.632 1.312 1.00 42.45 ? 712 PHE A CE2 1 \nATOM 102 C CZ . PHE A 1 20 ? 12.558 42.714 1.917 1.00 46.72 ? 712 PHE A CZ 1 \nATOM 103 N N . LYS A 1 21 ? 9.481 45.577 6.115 1.00 46.12 ? 713 LYS A N 1 \nATOM 104 C CA . LYS A 1 21 ? 10.320 46.606 6.756 1.00 45.30 ? 713 LYS A CA 1 \nATOM 105 C C . LYS A 1 21 ? 11.170 46.000 7.867 1.00 49.56 ? 713 LYS A C 1 \nATOM 106 O O . LYS A 1 21 ? 10.647 45.280 8.717 1.00 45.46 ? 713 LYS A O 1 \nATOM 107 C CB . LYS A 1 21 ? 9.456 47.720 7.356 1.00 49.90 ? 713 LYS A CB 1 \nATOM 108 C CG . LYS A 1 21 ? 8.771 48.628 6.353 1.00 61.39 ? 713 LYS A CG 1 \nATOM 109 C CD . LYS A 1 21 ? 7.824 49.599 7.050 1.00 81.27 ? 713 LYS A CD 1 \nATOM 110 C CE . LYS A 1 21 ? 6.888 50.280 6.056 1.00 69.86 ? 713 LYS A CE 1 \nATOM 111 N NZ . LYS A 1 21 ? 6.043 51.324 6.705 1.00 75.33 ? 713 LYS A NZ 1 \nATOM 112 N N . LYS A 1 22 ? 12.471 46.301 7.847 1.00 42.35 ? 714 LYS A N 1 \nATOM 113 C CA . LYS A 1 22 ? 13.389 45.951 8.930 1.00 46.11 ? 714 LYS A CA 1 \nATOM 114 C C . LYS A 1 22 ? 13.160 46.943 10.061 1.00 49.85 ? 714 LYS A C 1 \nATOM 115 O O . LYS A 1 22 ? 13.256 48.154 9.856 1.00 46.66 ? 714 LYS A O 1 \nATOM 116 C CB . LYS A 1 22 ? 14.845 46.063 8.477 1.00 49.54 ? 714 LYS A CB 1 \nATOM 117 C CG . LYS A 1 22 ? 15.287 45.129 7.369 1.00 53.76 ? 714 LYS A CG 1 \nATOM 118 C CD . LYS A 1 22 ? 16.780 45.310 7.156 1.00 53.79 ? 714 LYS A CD 1 \nATOM 119 C CE . LYS A 1 22 ? 17.258 44.686 5.862 1.00 52.83 ? 714 LYS A CE 1 \nATOM 120 N NZ . LYS A 1 22 ? 16.787 45.457 4.676 1.00 51.68 ? 714 LYS A NZ 1 \nATOM 121 N N . ILE A 1 23 ? 12.852 46.439 11.251 1.00 41.67 ? 715 ILE A N 1 \nATOM 122 C CA . ILE A 1 23 ? 12.489 47.317 12.368 1.00 48.15 ? 715 ILE A CA 1 \nATOM 123 C C . ILE A 1 23 ? 13.658 47.486 13.336 1.00 52.85 ? 715 ILE A C 1 \nATOM 124 O O . ILE A 1 23 ? 14.015 48.611 13.693 1.00 49.85 ? 715 ILE A O 1 \nATOM 125 C CB . ILE A 1 23 ? 11.191 46.843 13.061 1.00 41.49 ? 715 ILE A CB 1 \nATOM 126 C CG1 . ILE A 1 23 ? 10.029 47.003 12.077 1.00 54.99 ? 715 ILE A CG1 1 \nATOM 127 C CG2 . ILE A 1 23 ? 10.918 47.629 14.339 1.00 47.96 ? 715 ILE A CG2 1 \nATOM 128 C CD1 . ILE A 1 23 ? 8.670 46.667 12.641 1.00 54.20 ? 715 ILE A CD1 1 \nATOM 129 N N . LYS A 1 24 ? 14.260 46.369 13.744 1.00 43.46 ? 716 LYS A N 1 \nATOM 130 C CA . LYS A 1 24 ? 15.429 46.392 14.621 1.00 42.49 ? 716 LYS A CA 1 \nATOM 131 C C . LYS A 1 24 ? 16.392 45.271 14.247 1.00 45.76 ? 716 LYS A C 1 \nATOM 132 O O . LYS A 1 24 ? 15.983 44.237 13.719 1.00 37.65 ? 716 LYS A O 1 \nATOM 133 C CB . LYS A 1 24 ? 15.018 46.242 16.094 1.00 41.41 ? 716 LYS A CB 1 \nATOM 134 C CG . LYS A 1 24 ? 14.316 47.443 16.710 1.00 50.17 ? 716 LYS A CG 1 \nATOM 135 C CD . LYS A 1 24 ? 15.288 48.548 17.111 1.00 45.61 ? 716 LYS A CD 1 \nATOM 136 C CE . LYS A 1 24 ? 14.606 49.912 17.154 1.00 50.59 ? 716 LYS A CE 1 \nATOM 137 N NZ . LYS A 1 24 ? 13.715 50.066 18.332 1.00 57.19 ? 716 LYS A NZ 1 \nATOM 138 N N . VAL A 1 25 ? 17.673 45.475 14.541 1.00 41.16 ? 717 VAL A N 1 \nATOM 139 C CA . VAL A 1 25 ? 18.678 44.442 14.362 1.00 44.05 ? 717 VAL A CA 1 \nATOM 140 C C . VAL A 1 25 ? 18.537 43.387 15.446 1.00 43.45 ? 717 VAL A C 1 \nATOM 141 O O . VAL A 1 25 ? 18.310 43.709 16.608 1.00 42.18 ? 717 VAL A O 1 \nATOM 142 C CB . VAL A 1 25 ? 20.107 45.009 14.449 1.00 51.16 ? 717 VAL A CB 1 \nATOM 143 C CG1 . VAL A 1 25 ? 21.126 43.887 14.314 1.00 47.71 ? 717 VAL A CG1 1 \nATOM 144 C CG2 . VAL A 1 25 ? 20.336 46.059 13.379 1.00 50.70 ? 717 VAL A CG2 1 \nATOM 145 N N . LEU A 1 26 ? 18.670 42.119 15.068 1.00 37.54 ? 718 LEU A N 1 \nATOM 146 C CA . LEU A 1 26 ? 18.797 41.074 16.067 1.00 33.15 ? 718 LEU A CA 1 \nATOM 147 C C . LEU A 1 26 ? 20.279 40.757 16.246 1.00 37.30 ? 718 LEU A C 1 \nATOM 148 O O . LEU A 1 26 ? 20.810 40.967 17.326 1.00 35.69 ? 718 LEU A O 1 \nATOM 149 C CB . LEU A 1 26 ? 17.938 39.850 15.721 1.00 36.59 ? 718 LEU A CB 1 \nATOM 150 C CG . LEU A 1 26 ? 16.428 40.166 15.737 1.00 36.86 ? 718 LEU A CG 1 \nATOM 151 C CD1 . LEU A 1 26 ? 15.544 39.021 15.239 1.00 37.85 ? 718 LEU A CD1 1 \nATOM 152 C CD2 . LEU A 1 26 ? 15.991 40.593 17.131 1.00 43.64 ? 718 LEU A CD2 1 \nATOM 153 N N . GLY A 1 27 ? 20.953 40.292 15.192 1.00 36.46 ? 719 GLY A N 1 \nATOM 154 C CA . GLY A 1 27 ? 22.388 39.991 15.276 1.00 44.27 ? 719 GLY A CA 1 \nATOM 155 C C . GLY A 1 27 ? 23.000 39.439 14.002 1.00 57.08 ? 719 GLY A C 1 \nATOM 156 O O . GLY A 1 27 ? 22.282 39.077 13.066 1.00 53.06 ? 719 GLY A O 1 \nATOM 157 N N . SER A 1 28 ? 24.332 39.364 13.984 1.00 50.75 ? 720 SER A N 1 \nATOM 158 C CA . SER A 1 28 ? 25.091 38.813 12.856 1.00 51.92 ? 720 SER A CA 1 \nATOM 159 C C . SER A 1 28 ? 25.623 37.404 13.118 1.00 49.94 ? 720 SER A C 1 \nATOM 160 O O . SER A 1 28 ? 25.669 36.937 14.256 1.00 55.24 ? 720 SER A O 1 \nATOM 161 C CB . SER A 1 28 ? 26.258 39.736 12.495 1.00 63.92 ? 720 SER A CB 1 \nATOM 162 O OG . SER A 1 28 ? 25.807 40.883 11.797 1.00 68.03 ? 720 SER A OG 1 \nATOM 163 N N . GLY A 1 29 ? 26.029 36.737 12.043 1.00 57.18 ? 721 GLY A N 1 \nATOM 164 C CA . GLY A 1 29 ? 26.598 35.399 12.113 1.00 57.01 ? 721 GLY A CA 1 \nATOM 165 C C . GLY A 1 29 ? 27.510 35.199 10.922 1.00 63.27 ? 721 GLY A C 1 \nATOM 166 O O . GLY A 1 29 ? 27.672 36.108 10.098 1.00 61.34 ? 721 GLY A O 1 \nATOM 167 N N . ALA A 1 30 ? 28.107 34.012 10.835 1.00 71.41 ? 722 ALA A N 1 \nATOM 168 C CA . ALA A 1 30 ? 28.983 33.644 9.716 1.00 73.15 ? 722 ALA A CA 1 \nATOM 169 C C . ALA A 1 30 ? 28.313 33.834 8.352 1.00 71.72 ? 722 ALA A C 1 \nATOM 170 O O . ALA A 1 30 ? 28.929 34.359 7.417 1.00 59.12 ? 722 ALA A O 1 \nATOM 171 C CB . ALA A 1 30 ? 29.472 32.207 9.870 1.00 75.65 ? 722 ALA A CB 1 \nATOM 172 N N . PHE A 1 31 ? 27.048 33.425 8.245 1.00 55.28 ? 723 PHE A N 1 \nATOM 173 C CA . PHE A 1 31 ? 26.364 33.451 6.959 1.00 45.36 ? 723 PHE A CA 1 \nATOM 174 C C . PHE A 1 31 ? 25.582 34.728 6.671 1.00 48.16 ? 723 PHE A C 1 \nATOM 175 O O . PHE A 1 31 ? 25.209 34.967 5.523 1.00 48.85 ? 723 PHE A O 1 \nATOM 176 C CB . PHE A 1 31 ? 25.478 32.207 6.773 1.00 54.29 ? 723 PHE A CB 1 \nATOM 177 C CG . PHE A 1 31 ? 26.238 30.908 6.806 1.00 54.47 ? 723 PHE A CG 1 \nATOM 178 C CD1 . PHE A 1 31 ? 25.767 29.831 7.558 1.00 50.67 ? 723 PHE A CD1 1 \nATOM 179 C CD2 . PHE A 1 31 ? 27.441 30.759 6.102 1.00 49.42 ? 723 PHE A CD2 1 \nATOM 180 C CE1 . PHE A 1 31 ? 26.475 28.635 7.608 1.00 55.72 ? 723 PHE A CE1 1 \nATOM 181 C CE2 . PHE A 1 31 ? 28.142 29.562 6.141 1.00 43.55 ? 723 PHE A CE2 1 \nATOM 182 C CZ . PHE A 1 31 ? 27.667 28.504 6.905 1.00 48.56 ? 723 PHE A CZ 1 \nATOM 183 N N . GLY A 1 32 ? 25.325 35.543 7.693 1.00 43.86 ? 724 GLY A N 1 \nATOM 184 C CA . GLY A 1 32 ? 24.590 36.788 7.469 1.00 31.49 ? 724 GLY A CA 1 \nATOM 185 C C . GLY A 1 32 ? 24.017 37.449 8.711 1.00 41.98 ? 724 GLY A C 1 \nATOM 186 O O . GLY A 1 32 ? 24.322 37.039 9.836 1.00 47.37 ? 724 GLY A O 1 \nATOM 187 N N . THR A 1 33 ? 23.156 38.446 8.488 1.00 38.68 ? 725 THR A N 1 \nATOM 188 C CA . THR A 1 33 ? 22.603 39.310 9.542 1.00 38.78 ? 725 THR A CA 1 \nATOM 189 C C . THR A 1 33 ? 21.065 39.285 9.625 1.00 38.49 ? 725 THR A C 1 \nATOM 190 O O . THR A 1 33 ? 20.391 39.449 8.608 1.00 33.98 ? 725 THR A O 1 \nATOM 191 C CB . THR A 1 33 ? 23.053 40.762 9.320 1.00 49.97 ? 725 THR A CB 1 \nATOM 192 O OG1 . THR A 1 33 ? 24.483 40.810 9.375 1.00 46.95 ? 725 THR A OG1 1 \nATOM 193 C CG2 . THR A 1 33 ? 22.472 41.700 10.383 1.00 44.75 ? 725 THR A CG2 1 \nATOM 194 N N . VAL A 1 34 ? 20.534 39.134 10.842 1.00 32.51 ? 726 VAL A N 1 \nATOM 195 C CA . VAL A 1 34 ? 19.070 38.979 11.051 1.00 35.80 ? 726 VAL A CA 1 \nATOM 196 C C . VAL A 1 34 ? 18.414 40.191 11.729 1.00 34.03 ? 726 VAL A C 1 \nATOM 197 O O . VAL A 1 34 ? 18.988 40.751 12.672 1.00 34.12 ? 726 VAL A O 1 \nATOM 198 C CB . VAL A 1 34 ? 18.745 37.679 11.833 1.00 33.62 ? 726 VAL A CB 1 \nATOM 199 C CG1 . VAL A 1 34 ? 17.231 37.439 11.869 1.00 35.20 ? 726 VAL A CG1 1 \nATOM 200 C CG2 . VAL A 1 34 ? 19.400 36.488 11.163 1.00 37.39 ? 726 VAL A CG2 1 \nATOM 201 N N . TYR A 1 35 ? 17.215 40.566 11.254 1.00 33.84 ? 727 TYR A N 1 \nATOM 202 C CA . TYR A 1 35 ? 16.439 41.698 11.760 1.00 32.33 ? 727 TYR A CA 1 \nATOM 203 C C . TYR A 1 35 ? 15.042 41.252 12.170 1.00 37.12 ? 727 TYR A C 1 \nATOM 204 O O . TYR A 1 35 ? 14.463 40.338 11.555 1.00 34.66 ? 727 TYR A O 1 \nATOM 205 C CB . TYR A 1 35 ? 16.246 42.780 10.672 1.00 34.43 ? 727 TYR A CB 1 \nATOM 206 C CG . TYR A 1 35 ? 17.514 43.312 10.073 1.00 40.06 ? 727 TYR A CG 1 \nATOM 207 C CD1 . TYR A 1 35 ? 18.048 44.535 10.495 1.00 44.66 ? 727 TYR A CD1 1 \nATOM 208 C CD2 . TYR A 1 35 ? 18.204 42.586 9.100 1.00 48.07 ? 727 TYR A CD2 1 \nATOM 209 C CE1 . TYR A 1 35 ? 19.233 45.017 9.958 1.00 40.67 ? 727 TYR A CE1 1 \nATOM 210 C CE2 . TYR A 1 35 ? 19.393 43.057 8.559 1.00 45.69 ? 727 TYR A CE2 1 \nATOM 211 C CZ . TYR A 1 35 ? 19.897 44.277 8.987 1.00 50.79 ? 727 TYR A CZ 1 \nATOM 212 O OH . TYR A 1 35 ? 21.076 44.738 8.449 1.00 40.87 ? 727 TYR A OH 1 \nATOM 213 N N . LYS A 1 36 ? 14.496 41.908 13.186 1.00 31.04 ? 728 LYS A N 1 \nATOM 214 C CA . LYS A 1 36 ? 13.046 41.836 13.452 1.00 34.53 ? 728 LYS A CA 1 \nATOM 215 C C . LYS A 1 36 ? 12.362 42.756 12.451 1.00 38.87 ? 728 LYS A C 1 \nATOM 216 O O . LYS A 1 36 ? 12.862 43.841 12.167 1.00 39.43 ? 728 LYS A O 1 \nATOM 217 C CB . LYS A 1 36 ? 12.735 42.293 14.875 1.00 39.98 ? 728 LYS A CB 1 \nATOM 218 C CG . LYS A 1 36 ? 11.263 42.187 15.275 1.00 50.05 ? 728 LYS A CG 1 \nATOM 219 C CD . LYS A 1 36 ? 10.997 42.809 16.640 1.00 41.41 ? 728 LYS A CD 1 \nATOM 220 C CE . LYS A 1 36 ? 10.879 44.322 16.557 1.00 49.69 ? 728 LYS A CE 1 \nATOM 221 N NZ . LYS A 1 36 ? 10.778 44.921 17.913 1.00 50.16 ? 728 LYS A NZ 1 \nATOM 222 N N . GLY A 1 37 ? 11.222 42.334 11.912 1.00 38.44 ? 729 GLY A N 1 \nATOM 223 C CA . GLY A 1 37 ? 10.526 43.156 10.939 1.00 40.01 ? 729 GLY A CA 1 \nATOM 224 C C . GLY A 1 37 ? 9.034 42.913 10.861 1.00 36.82 ? 729 GLY A C 1 \nATOM 225 O O . GLY A 1 37 ? 8.488 42.144 11.635 1.00 33.00 ? 729 GLY A O 1 \nATOM 226 N N . LEU A 1 38 ? 8.388 43.608 9.930 1.00 42.24 ? 730 LEU A N 1 \nATOM 227 C CA . LEU A 1 38 ? 6.978 43.392 9.627 1.00 41.16 ? 730 LEU A CA 1 \nATOM 228 C C . LEU A 1 38 ? 6.790 43.121 8.139 1.00 37.54 ? 730 LEU A C 1 \nATOM 229 O O . LEU A 1 38 ? 7.381 43.794 7.295 1.00 43.28 ? 730 LEU A O 1 \nATOM 230 C CB . LEU A 1 38 ? 6.128 44.602 10.042 1.00 55.61 ? 730 LEU A CB 1 \nATOM 231 C CG . LEU A 1 38 ? 5.797 44.815 11.522 1.00 54.61 ? 730 LEU A CG 1 \nATOM 232 C CD1 . LEU A 1 38 ? 5.056 46.134 11.690 1.00 55.22 ? 730 LEU A CD1 1 \nATOM 233 C CD2 . LEU A 1 38 ? 4.985 43.665 12.105 1.00 62.65 ? 730 LEU A CD2 1 \nATOM 234 N N . TRP A 1 39 ? 5.976 42.119 7.831 1.00 42.21 ? 731 TRP A N 1 \nATOM 235 C CA . TRP A 1 39 ? 5.575 41.865 6.463 1.00 38.29 ? 731 TRP A CA 1 \nATOM 236 C C . TRP A 1 39 ? 4.115 42.307 6.264 1.00 44.54 ? 731 TRP A C 1 \nATOM 237 O O . TRP A 1 39 ? 3.205 41.854 6.974 1.00 40.95 ? 731 TRP A O 1 \nATOM 238 C CB . TRP A 1 39 ? 5.791 40.400 6.085 1.00 44.76 ? 731 TRP A CB 1 \nATOM 239 C CG . TRP A 1 39 ? 5.239 40.023 4.741 1.00 49.04 ? 731 TRP A CG 1 \nATOM 240 C CD1 . TRP A 1 39 ? 5.266 40.773 3.595 1.00 56.68 ? 731 TRP A CD1 1 \nATOM 241 C CD2 . TRP A 1 39 ? 4.591 38.792 4.399 1.00 57.71 ? 731 TRP A CD2 1 \nATOM 242 N NE1 . TRP A 1 39 ? 4.663 40.089 2.569 1.00 61.09 ? 731 TRP A NE1 1 \nATOM 243 C CE2 . TRP A 1 39 ? 4.244 38.869 3.032 1.00 55.11 ? 731 TRP A CE2 1 \nATOM 244 C CE3 . TRP A 1 39 ? 4.266 37.631 5.118 1.00 50.16 ? 731 TRP A CE3 1 \nATOM 245 C CZ2 . TRP A 1 39 ? 3.587 37.833 2.369 1.00 65.58 ? 731 TRP A CZ2 1 \nATOM 246 C CZ3 . TRP A 1 39 ? 3.615 36.603 4.461 1.00 59.33 ? 731 TRP A CZ3 1 \nATOM 247 C CH2 . TRP A 1 39 ? 3.276 36.713 3.098 1.00 60.58 ? 731 TRP A CH2 1 \nATOM 248 N N . ILE A 1 40 ? 3.936 43.209 5.304 1.00 46.64 ? 732 ILE A N 1 \nATOM 249 C CA . ILE A 1 40 ? 2.625 43.709 4.887 1.00 54.61 ? 732 ILE A CA 1 \nATOM 250 C C . ILE A 1 40 ? 2.347 43.178 3.476 1.00 52.31 ? 732 ILE A C 1 \nATOM 251 O O . ILE A 1 40 ? 2.779 43.779 2.492 1.00 58.58 ? 732 ILE A O 1 \nATOM 252 C CB . ILE A 1 40 ? 2.602 45.255 4.904 1.00 54.63 ? 732 ILE A CB 1 \nATOM 253 C CG1 . ILE A 1 40 ? 3.132 45.776 6.246 1.00 54.82 ? 732 ILE A CG1 1 \nATOM 254 C CG2 . ILE A 1 40 ? 1.194 45.787 4.641 1.00 66.79 ? 732 ILE A CG2 1 \nATOM 255 C CD1 . ILE A 1 40 ? 3.898 47.083 6.154 1.00 59.18 ? 732 ILE A CD1 1 \nATOM 256 N N . PRO A 1 41 ? 1.668 42.016 3.370 1.00 54.05 ? 733 PRO A N 1 \nATOM 257 C CA . PRO A 1 41 ? 1.327 41.500 2.042 1.00 58.55 ? 733 PRO A CA 1 \nATOM 258 C C . PRO A 1 41 ? 0.630 42.595 1.229 1.00 65.49 ? 733 PRO A C 1 \nATOM 259 O O . PRO A 1 41 ? -0.188 43.342 1.778 1.00 49.96 ? 733 PRO A O 1 \nATOM 260 C CB . PRO A 1 41 ? 0.373 40.346 2.348 1.00 64.25 ? 733 PRO A CB 1 \nATOM 261 C CG . PRO A 1 41 ? 0.768 39.882 3.707 1.00 61.88 ? 733 PRO A CG 1 \nATOM 262 C CD . PRO A 1 41 ? 1.226 41.110 4.446 1.00 62.75 ? 733 PRO A CD 1 \nATOM 263 N N . GLU A 1 42 ? 0.979 42.695 -0.052 1.00 70.24 ? 734 GLU A N 1 \nATOM 264 C CA . GLU A 1 42 ? 0.686 43.884 -0.872 1.00 94.73 ? 734 GLU A CA 1 \nATOM 265 C C . GLU A 1 42 ? -0.777 44.355 -0.899 1.00 97.63 ? 734 GLU A C 1 \nATOM 266 O O . GLU A 1 42 ? -1.074 45.485 -0.500 1.00 94.38 ? 734 GLU A O 1 \nATOM 267 C CB . GLU A 1 42 ? 1.246 43.724 -2.298 1.00 109.10 ? 734 GLU A CB 1 \nATOM 268 C CG . GLU A 1 42 ? 1.023 42.356 -2.932 1.00 121.90 ? 734 GLU A CG 1 \nATOM 269 C CD . GLU A 1 42 ? 2.032 42.040 -4.022 1.00 137.46 ? 734 GLU A CD 1 \nATOM 270 O OE1 . GLU A 1 42 ? 2.181 42.851 -4.963 1.00 133.69 ? 734 GLU A OE1 1 \nATOM 271 O OE2 . GLU A 1 42 ? 2.677 40.973 -3.941 1.00 133.05 ? 734 GLU A OE2 1 \nATOM 272 N N . GLY A 1 43 ? -1.679 43.493 -1.356 1.00 77.00 ? 735 GLY A N 1 \nATOM 273 C CA . GLY A 1 43 ? -3.081 43.876 -1.524 1.00 102.31 ? 735 GLY A CA 1 \nATOM 274 C C . GLY A 1 43 ? -3.886 43.756 -0.246 1.00 94.49 ? 735 GLY A C 1 \nATOM 275 O O . GLY A 1 43 ? -4.924 44.398 -0.090 1.00 87.16 ? 735 GLY A O 1 \nATOM 276 N N . GLU A 1 44 ? -3.388 42.942 0.677 1.00 84.67 ? 736 GLU A N 1 \nATOM 277 C CA . GLU A 1 44 ? -4.127 42.579 1.880 1.00 78.16 ? 736 GLU A CA 1 \nATOM 278 C C . GLU A 1 44 ? -4.024 43.678 2.935 1.00 83.43 ? 736 GLU A C 1 \nATOM 279 O O . GLU A 1 44 ? -3.373 44.703 2.709 1.00 81.42 ? 736 GLU A O 1 \nATOM 280 C CB . GLU A 1 44 ? -3.615 41.237 2.397 1.00 81.23 ? 736 GLU A CB 1 \nATOM 281 C CG . GLU A 1 44 ? -3.274 40.281 1.260 1.00 77.57 ? 736 GLU A CG 1 \nATOM 282 C CD . GLU A 1 44 ? -2.886 38.898 1.726 1.00 87.99 ? 736 GLU A CD 1 \nATOM 283 O OE1 . GLU A 1 44 ? -1.955 38.315 1.129 1.00 79.62 ? 736 GLU A OE1 1 \nATOM 284 O OE2 . GLU A 1 44 ? -3.512 38.390 2.680 1.00 96.84 ? 736 GLU A OE2 1 \nATOM 285 N N . LYS A 1 45 ? -4.679 43.481 4.076 1.00 74.52 ? 737 LYS A N 1 \nATOM 286 C CA . LYS A 1 45 ? -4.699 44.519 5.107 1.00 87.38 ? 737 LYS A CA 1 \nATOM 287 C C . LYS A 1 45 ? -4.260 44.016 6.485 1.00 96.71 ? 737 LYS A C 1 \nATOM 288 O O . LYS A 1 45 ? -4.977 44.181 7.477 1.00 109.85 ? 737 LYS A O 1 \nATOM 289 C CB . LYS A 1 45 ? -6.077 45.199 5.170 1.00 102.72 ? 737 LYS A CB 1 \nATOM 290 C CG . LYS A 1 45 ? -6.406 46.051 3.949 1.00 109.69 ? 737 LYS A CG 1 \nATOM 291 C CD . LYS A 1 45 ? -7.648 46.936 4.172 1.00 118.48 ? 737 LYS A CD 1 \nATOM 292 C CE . LYS A 1 45 ? -7.282 48.276 4.851 1.00 123.12 ? 737 LYS A CE 1 \nATOM 293 N NZ . LYS A 1 45 ? -8.538 49.108 5.062 1.00 124.87 ? 737 LYS A NZ 1 \nATOM 294 N N . VAL A 1 46 ? -3.074 43.406 6.534 1.00 81.63 ? 738 VAL A N 1 \nATOM 295 C CA . VAL A 1 46 ? -2.501 42.891 7.786 1.00 70.23 ? 738 VAL A CA 1 \nATOM 296 C C . VAL A 1 46 ? -0.992 43.163 7.922 1.00 67.18 ? 738 VAL A C 1 \nATOM 297 O O . VAL A 1 46 ? -0.292 43.394 6.933 1.00 49.00 ? 738 VAL A O 1 \nATOM 298 C CB . VAL A 1 46 ? -2.770 41.373 7.985 1.00 75.03 ? 738 VAL A CB 1 \nATOM 299 C CG1 . VAL A 1 46 ? -4.250 41.103 8.236 1.00 86.92 ? 738 VAL A CG1 1 \nATOM 300 C CG2 . VAL A 1 46 ? -2.252 40.551 6.808 1.00 64.70 ? 738 VAL A CG2 1 \nATOM 301 N N . LYS A 1 47 ? -0.516 43.146 9.165 1.00 59.40 ? 739 LYS A N 1 \nATOM 302 C CA . LYS A 1 47 ? 0.904 43.256 9.475 1.00 60.90 ? 739 LYS A CA 1 \nATOM 303 C C . LYS A 1 47 ? 1.318 41.933 10.119 1.00 50.28 ? 739 LYS A C 1 \nATOM 304 O O . LYS A 1 47 ? 0.703 41.504 11.090 1.00 49.12 ? 739 LYS A O 1 \nATOM 305 C CB . LYS A 1 47 ? 1.147 44.419 10.443 1.00 54.97 ? 739 LYS A CB 1 \nATOM 306 C CG . LYS A 1 47 ? 0.870 45.811 9.886 1.00 67.55 ? 739 LYS A CG 1 \nATOM 307 C CD . LYS A 1 47 ? 0.807 46.815 11.029 1.00 68.22 ? 739 LYS A CD 1 \nATOM 308 C CE . LYS A 1 47 ? 0.849 48.258 10.555 1.00 69.70 ? 739 LYS A CE 1 \nATOM 309 N NZ . LYS A 1 47 ? 0.897 49.182 11.726 1.00 63.68 ? 739 LYS A NZ 1 \nATOM 310 N N . ILE A 1 48 ? 2.334 41.275 9.569 1.00 53.92 ? 740 ILE A N 1 \nATOM 311 C CA . ILE A 1 48 ? 2.775 39.976 10.098 1.00 43.42 ? 740 ILE A CA 1 \nATOM 312 C C . ILE A 1 48 ? 4.222 40.069 10.602 1.00 38.89 ? 740 ILE A C 1 \nATOM 313 O O . ILE A 1 48 ? 5.111 40.395 9.830 1.00 37.20 ? 740 ILE A O 1 \nATOM 314 C CB . ILE A 1 48 ? 2.637 38.847 9.043 1.00 47.72 ? 740 ILE A CB 1 \nATOM 315 C CG1 . ILE A 1 48 ? 1.192 38.754 8.531 1.00 44.69 ? 740 ILE A CG1 1 \nATOM 316 C CG2 . ILE A 1 48 ? 3.097 37.499 9.607 1.00 42.82 ? 740 ILE A CG2 1 \nATOM 317 C CD1 . ILE A 1 48 ? 1.076 38.138 7.152 1.00 46.45 ? 740 ILE A CD1 1 \nATOM 318 N N . PRO A 1 49 ? 4.452 39.781 11.897 1.00 40.77 ? 741 PRO A N 1 \nATOM 319 C CA . PRO A 1 49 ? 5.827 39.786 12.440 1.00 39.30 ? 741 PRO A CA 1 \nATOM 320 C C . PRO A 1 49 ? 6.717 38.738 11.759 1.00 38.75 ? 741 PRO A C 1 \nATOM 321 O O . PRO A 1 49 ? 6.362 37.551 11.684 1.00 38.50 ? 741 PRO A O 1 \nATOM 322 C CB . PRO A 1 49 ? 5.632 39.455 13.923 1.00 38.97 ? 741 PRO A CB 1 \nATOM 323 C CG . PRO A 1 49 ? 4.153 39.637 14.186 1.00 41.99 ? 741 PRO A CG 1 \nATOM 324 C CD . PRO A 1 49 ? 3.478 39.309 12.893 1.00 42.15 ? 741 PRO A CD 1 \nATOM 325 N N . VAL A 1 50 ? 7.853 39.202 11.251 1.00 38.86 ? 742 VAL A N 1 \nATOM 326 C CA . VAL A 1 50 ? 8.786 38.356 10.514 1.00 38.13 ? 742 VAL A CA 1 \nATOM 327 C C . VAL A 1 50 ? 10.231 38.581 11.005 1.00 34.95 ? 742 VAL A C 1 \nATOM 328 O O . VAL A 1 50 ? 10.561 39.632 11.583 1.00 34.01 ? 742 VAL A O 1 \nATOM 329 C CB . VAL A 1 50 ? 8.687 38.599 8.982 1.00 37.29 ? 742 VAL A CB 1 \nATOM 330 C CG1 . VAL A 1 50 ? 7.346 38.112 8.437 1.00 40.56 ? 742 VAL A CG1 1 \nATOM 331 C CG2 . VAL A 1 50 ? 8.931 40.075 8.615 1.00 37.85 ? 742 VAL A CG2 1 \nATOM 332 N N . ALA A 1 51 ? 11.064 37.564 10.815 1.00 30.95 ? 743 ALA A N 1 \nATOM 333 C CA . ALA A 1 51 ? 12.504 37.735 10.909 1.00 31.06 ? 743 ALA A CA 1 \nATOM 334 C C . ALA A 1 51 ? 12.971 37.867 9.468 1.00 29.26 ? 743 ALA A C 1 \nATOM 335 O O . ALA A 1 51 ? 12.443 37.205 8.545 1.00 29.67 ? 743 ALA A O 1 \nATOM 336 C CB . ALA A 1 51 ? 13.145 36.521 11.607 1.00 27.75 ? 743 ALA A CB 1 \nATOM 337 N N . ILE A 1 52 ? 13.960 38.729 9.257 1.00 29.82 ? 744 ILE A N 1 \nATOM 338 C CA . ILE A 1 52 ? 14.482 38.989 7.941 1.00 26.91 ? 744 ILE A CA 1 \nATOM 339 C C . ILE A 1 52 ? 15.996 38.776 7.997 1.00 32.94 ? 744 ILE A C 1 \nATOM 340 O O . ILE A 1 52 ? 16.659 39.439 8.787 1.00 31.67 ? 744 ILE A O 1 \nATOM 341 C CB . ILE A 1 52 ? 14.187 40.451 7.521 1.00 32.45 ? 744 ILE A CB 1 \nATOM 342 C CG1 . ILE A 1 52 ? 12.668 40.686 7.463 1.00 33.88 ? 744 ILE A CG1 1 \nATOM 343 C CG2 . ILE A 1 52 ? 14.811 40.752 6.170 1.00 33.17 ? 744 ILE A CG2 1 \nATOM 344 C CD1 . ILE A 1 52 ? 12.266 42.143 7.435 1.00 43.30 ? 744 ILE A CD1 1 \nATOM 345 N N . LYS A 1 53 ? 16.513 37.833 7.209 1.00 31.04 ? 745 LYS A N 1 \nATOM 346 C CA . LYS A 1 53 ? 17.973 37.573 7.139 1.00 31.99 ? 745 LYS A CA 1 \nATOM 347 C C . LYS A 1 53 ? 18.524 38.109 5.822 1.00 39.09 ? 745 LYS A C 1 \nATOM 348 O O . LYS A 1 53 ? 18.134 37.638 4.751 1.00 38.70 ? 745 LYS A O 1 \nATOM 349 C CB . LYS A 1 53 ? 18.294 36.063 7.319 1.00 28.72 ? 745 LYS A CB 1 \nATOM 350 C CG . LYS A 1 53 ? 19.802 35.726 7.423 1.00 31.87 ? 745 LYS A CG 1 \nATOM 351 C CD . LYS A 1 53 ? 20.007 34.389 8.138 1.00 31.76 ? 745 LYS A CD 1 \nATOM 352 C CE . LYS A 1 53 ? 21.491 34.095 8.338 1.00 35.24 ? 745 LYS A CE 1 \nATOM 353 N NZ . LYS A 1 53 ? 21.698 32.907 9.205 1.00 39.22 ? 745 LYS A NZ 1 \nATOM 354 N N . GLU A 1 54 ? 19.416 39.106 5.904 1.00 34.93 ? 746 GLU A N 1 \nATOM 355 C CA . GLU A 1 54 ? 20.142 39.638 4.746 1.00 33.61 ? 746 GLU A CA 1 \nATOM 356 C C . GLU A 1 54 ? 21.526 38.979 4.663 1.00 41.73 ? 746 GLU A C 1 \nATOM 357 O O . GLU A 1 54 ? 22.298 39.054 5.609 1.00 40.63 ? 746 GLU A O 1 \nATOM 358 C CB . GLU A 1 54 ? 20.301 41.152 4.901 1.00 38.35 ? 746 GLU A CB 1 \nATOM 359 C CG . GLU A 1 54 ? 20.665 41.861 3.615 1.00 43.31 ? 746 GLU A CG 1 \nATOM 360 C CD . GLU A 1 54 ? 20.339 43.344 3.649 1.00 56.57 ? 746 GLU A CD 1 \nATOM 361 O OE1 . GLU A 1 54 ? 20.746 44.024 4.616 1.00 60.73 ? 746 GLU A OE1 1 \nATOM 362 O OE2 . GLU A 1 54 ? 19.673 43.828 2.704 1.00 56.47 ? 746 GLU A OE2 1 \nATOM 363 N N . LEU A 1 55 ? 21.833 38.337 3.537 1.00 44.06 ? 747 LEU A N 1 \nATOM 364 C CA . LEU A 1 55 ? 23.024 37.488 3.450 1.00 49.19 ? 747 LEU A CA 1 \nATOM 365 C C . LEU A 1 55 ? 24.281 38.279 3.131 1.00 60.11 ? 747 LEU A C 1 \nATOM 366 O O . LEU A 1 55 ? 24.202 39.411 2.649 1.00 50.14 ? 747 LEU A O 1 \nATOM 367 C CB . LEU A 1 55 ? 22.837 36.348 2.436 1.00 42.55 ? 747 LEU A CB 1 \nATOM 368 C CG . LEU A 1 55 ? 21.603 35.433 2.522 1.00 47.94 ? 747 LEU A CG 1 \nATOM 369 C CD1 . LEU A 1 55 ? 21.721 34.261 1.547 1.00 56.88 ? 747 LEU A CD1 1 \nATOM 370 C CD2 . LEU A 1 55 ? 21.335 34.931 3.938 1.00 48.40 ? 747 LEU A CD2 1 \nATOM 371 N N . ARG A 1 56 ? 25.429 37.670 3.439 1.00 66.18 ? 748 ARG A N 1 \nATOM 372 C CA . ARG A 1 56 ? 26.741 38.168 3.020 1.00 88.68 ? 748 ARG A CA 1 \nATOM 373 C C . ARG A 1 56 ? 26.890 37.940 1.518 1.00 83.15 ? 748 ARG A C 1 \nATOM 374 O O . ARG A 1 56 ? 26.540 36.871 1.007 1.00 58.47 ? 748 ARG A O 1 \nATOM 375 C CB . ARG A 1 56 ? 27.867 37.432 3.760 1.00 95.20 ? 748 ARG A CB 1 \nATOM 376 C CG . ARG A 1 56 ? 27.684 37.308 5.267 1.00 111.81 ? 748 ARG A CG 1 \nATOM 377 C CD . ARG A 1 56 ? 28.485 38.345 6.036 1.00 116.77 ? 748 ARG A CD 1 \nATOM 378 N NE . ARG A 1 56 ? 28.166 38.317 7.463 1.00 121.49 ? 748 ARG A NE 1 \nATOM 379 C CZ . ARG A 1 56 ? 28.992 38.701 8.434 1.00 124.58 ? 748 ARG A CZ 1 \nATOM 380 N NH1 . ARG A 1 56 ? 28.598 38.637 9.698 1.00 118.79 ? 748 ARG A NH1 1 \nATOM 381 N NH2 . ARG A 1 56 ? 30.213 39.139 8.150 1.00 121.87 ? 748 ARG A NH2 1 \nATOM 382 N N . GLU A 1 57 ? 27.406 38.949 0.821 1.00 98.46 ? 749 GLU A N 1 \nATOM 383 C CA . GLU A 1 57 ? 27.601 38.891 -0.630 1.00 109.01 ? 749 GLU A CA 1 \nATOM 384 C C . GLU A 1 57 ? 28.856 38.102 -1.017 1.00 119.10 ? 749 GLU A C 1 \nATOM 385 O O . GLU A 1 57 ? 29.662 37.740 -0.156 1.00 127.74 ? 749 GLU A O 1 \nATOM 386 C CB . GLU A 1 57 ? 27.675 40.307 -1.207 1.00 107.94 ? 749 GLU A CB 1 \nATOM 387 C CG . GLU A 1 57 ? 26.412 41.134 -1.012 1.00 122.50 ? 749 GLU A CG 1 \nATOM 388 C CD . GLU A 1 57 ? 26.530 42.544 -1.567 1.00 131.75 ? 749 GLU A CD 1 \nATOM 389 O OE1 . GLU A 1 57 ? 27.541 42.855 -2.234 1.00 129.10 ? 749 GLU A OE1 1 \nATOM 390 O OE2 . GLU A 1 57 ? 25.601 43.347 -1.337 1.00 141.68 ? 749 GLU A OE2 1 \nATOM 391 N N . ALA A 1 58 ? 29.008 37.836 -2.315 1.00 115.00 ? 750 ALA A N 1 \nATOM 392 C CA . ALA A 1 58 ? 30.204 37.181 -2.856 1.00 118.99 ? 750 ALA A CA 1 \nATOM 393 C C . ALA A 1 58 ? 30.743 37.944 -4.068 1.00 126.64 ? 750 ALA A C 1 \nATOM 394 O O . ALA A 1 58 ? 30.009 38.716 -4.692 1.00 142.14 ? 750 ALA A O 1 \nATOM 395 C CB . ALA A 1 58 ? 29.900 35.736 -3.224 1.00 111.74 ? 750 ALA A CB 1 \nATOM 396 N N . THR A 1 59 ? 32.022 37.735 -4.391 1.00 123.82 ? 751 THR A N 1 \nATOM 397 C CA . THR A 1 59 ? 32.648 38.356 -5.569 1.00 124.40 ? 751 THR A CA 1 \nATOM 398 C C . THR A 1 59 ? 32.044 37.774 -6.848 1.00 124.78 ? 751 THR A C 1 \nATOM 399 O O . THR A 1 59 ? 31.735 38.509 -7.791 1.00 116.74 ? 751 THR A O 1 \nATOM 400 C CB . THR A 1 59 ? 34.185 38.166 -5.588 1.00 118.19 ? 751 THR A CB 1 \nATOM 401 O OG1 . THR A 1 59 ? 34.721 38.383 -4.277 1.00 103.31 ? 751 THR A OG1 1 \nATOM 402 C CG2 . THR A 1 59 ? 34.848 39.136 -6.573 1.00 100.42 ? 751 THR A CG2 1 \nATOM 403 N N . SER A 1 60 ? 31.885 36.451 -6.862 1.00 121.20 ? 752 SER A N 1 \nATOM 404 C CA . SER A 1 60 ? 31.194 35.752 -7.939 1.00 135.31 ? 752 SER A CA 1 \nATOM 405 C C . SER A 1 60 ? 29.938 35.072 -7.380 1.00 129.14 ? 752 SER A C 1 \nATOM 406 O O . SER A 1 60 ? 29.976 33.894 -7.008 1.00 125.03 ? 752 SER A O 1 \nATOM 407 C CB . SER A 1 60 ? 32.123 34.735 -8.613 1.00 131.46 ? 752 SER A CB 1 \nATOM 408 O OG . SER A 1 60 ? 31.457 34.039 -9.655 1.00 119.19 ? 752 SER A OG 1 \nATOM 409 N N . PRO A 1 61 ? 28.819 35.821 -7.308 1.00 118.58 ? 753 PRO A N 1 \nATOM 410 C CA . PRO A 1 61 ? 27.589 35.277 -6.740 1.00 106.64 ? 753 PRO A CA 1 \nATOM 411 C C . PRO A 1 61 ? 26.877 34.351 -7.720 1.00 97.42 ? 753 PRO A C 1 \nATOM 412 O O . PRO A 1 61 ? 27.150 34.390 -8.922 1.00 88.50 ? 753 PRO A O 1 \nATOM 413 C CB . PRO A 1 61 ? 26.730 36.526 -6.474 1.00 107.50 ? 753 PRO A CB 1 \nATOM 414 C CG . PRO A 1 61 ? 27.528 37.708 -6.938 1.00 107.49 ? 753 PRO A CG 1 \nATOM 415 C CD . PRO A 1 61 ? 28.618 37.187 -7.821 1.00 102.77 ? 753 PRO A CD 1 \nATOM 416 N N . LYS A 1 62 ? 25.976 33.523 -7.199 1.00 91.73 ? 754 LYS A N 1 \nATOM 417 C CA . LYS A 1 62 ? 25.143 32.653 -8.028 1.00 78.40 ? 754 LYS A CA 1 \nATOM 418 C C . LYS A 1 62 ? 24.059 33.471 -8.747 1.00 72.59 ? 754 LYS A C 1 \nATOM 419 O O . LYS A 1 62 ? 23.679 34.553 -8.283 1.00 71.52 ? 754 LYS A O 1 \nATOM 420 C CB . LYS A 1 62 ? 24.516 31.548 -7.171 1.00 66.50 ? 754 LYS A CB 1 \nATOM 421 C CG . LYS A 1 62 ? 25.522 30.572 -6.582 1.00 66.51 ? 754 LYS A CG 1 \nATOM 422 C CD . LYS A 1 62 ? 24.844 29.511 -5.730 1.00 67.17 ? 754 LYS A CD 1 \nATOM 423 C CE . LYS A 1 62 ? 25.850 28.490 -5.217 1.00 71.27 ? 754 LYS A CE 1 \nATOM 424 N NZ . LYS A 1 62 ? 25.199 27.456 -4.367 1.00 72.05 ? 754 LYS A NZ 1 \nATOM 425 N N . ALA A 1 63 ? 23.582 32.965 -9.885 1.00 67.58 ? 755 ALA A N 1 \nATOM 426 C CA . ALA A 1 63 ? 22.470 33.596 -10.607 1.00 64.10 ? 755 ALA A CA 1 \nATOM 427 C C . ALA A 1 63 ? 21.197 33.558 -9.757 1.00 59.06 ? 755 ALA A C 1 \nATOM 428 O O . ALA A 1 63 ? 21.026 32.662 -8.924 1.00 48.83 ? 755 ALA A O 1 \nATOM 429 C CB . ALA A 1 63 ? 22.241 32.908 -11.946 1.00 62.79 ? 755 ALA A CB 1 \nATOM 430 N N . ASN A 1 64 ? 20.311 34.532 -9.961 1.00 55.32 ? 756 ASN A N 1 \nATOM 431 C CA . ASN A 1 64 ? 19.058 34.580 -9.210 1.00 57.65 ? 756 ASN A CA 1 \nATOM 432 C C . ASN A 1 64 ? 18.246 33.282 -9.306 1.00 49.83 ? 756 ASN A C 1 \nATOM 433 O O . ASN A 1 64 ? 17.713 32.811 -8.305 1.00 52.47 ? 756 ASN A O 1 \nATOM 434 C CB . ASN A 1 64 ? 18.214 35.782 -9.636 1.00 61.10 ? 756 ASN A CB 1 \nATOM 435 C CG . ASN A 1 64 ? 18.737 37.095 -9.070 1.00 65.60 ? 756 ASN A CG 1 \nATOM 436 O OD1 . ASN A 1 64 ? 18.241 38.166 -9.417 1.00 66.39 ? 756 ASN A OD1 1 \nATOM 437 N ND2 . ASN A 1 64 ? 19.733 37.018 -8.188 1.00 62.03 ? 756 ASN A ND2 1 \nATOM 438 N N . LYS A 1 65 ? 18.188 32.693 -10.499 1.00 48.32 ? 757 LYS A N 1 \nATOM 439 C CA . LYS A 1 65 ? 17.363 31.496 -10.707 1.00 53.97 ? 757 LYS A CA 1 \nATOM 440 C C . LYS A 1 65 ? 17.885 30.303 -9.916 1.00 52.23 ? 757 LYS A C 1 \nATOM 441 O O . LYS A 1 65 ? 17.101 29.474 -9.457 1.00 38.94 ? 757 LYS A O 1 \nATOM 442 C CB . LYS A 1 65 ? 17.178 31.163 -12.198 1.00 57.10 ? 757 LYS A CB 1 \nATOM 443 C CG . LYS A 1 65 ? 18.445 30.784 -12.949 1.00 62.89 ? 757 LYS A CG 1 \nATOM 444 C CD . LYS A 1 65 ? 18.134 30.400 -14.385 1.00 67.24 ? 757 LYS A CD 1 \nATOM 445 C CE . LYS A 1 65 ? 19.369 29.866 -15.088 1.00 78.98 ? 757 LYS A CE 1 \nATOM 446 N NZ . LYS A 1 65 ? 19.072 29.478 -16.495 1.00 98.58 ? 757 LYS A NZ 1 \nATOM 447 N N . GLU A 1 66 ? 19.205 30.237 -9.731 1.00 41.71 ? 758 GLU A N 1 \nATOM 448 C CA . GLU A 1 66 ? 19.816 29.184 -8.921 1.00 45.36 ? 758 GLU A CA 1 \nATOM 449 C C . GLU A 1 66 ? 19.512 29.391 -7.426 1.00 45.14 ? 758 GLU A C 1 \nATOM 450 O O . GLU A 1 66 ? 19.180 28.437 -6.706 1.00 43.16 ? 758 GLU A O 1 \nATOM 451 C CB . GLU A 1 66 ? 21.327 29.142 -9.166 1.00 56.18 ? 758 GLU A CB 1 \nATOM 452 C CG . GLU A 1 66 ? 22.010 27.873 -8.669 1.00 74.96 ? 758 GLU A CG 1 \nATOM 453 C CD . GLU A 1 66 ? 23.509 27.857 -8.933 1.00 89.13 ? 758 GLU A CD 1 \nATOM 454 O OE1 . GLU A 1 66 ? 24.235 27.159 -8.193 1.00 109.33 ? 758 GLU A OE1 1 \nATOM 455 O OE2 . GLU A 1 66 ? 23.968 28.536 -9.878 1.00 81.56 ? 758 GLU A OE2 1 \nATOM 456 N N . ILE A 1 67 ? 19.643 30.638 -6.971 1.00 38.74 ? 759 ILE A N 1 \nATOM 457 C CA . ILE A 1 67 ? 19.234 31.052 -5.622 1.00 40.45 ? 759 ILE A CA 1 \nATOM 458 C C . ILE A 1 67 ? 17.742 30.767 -5.383 1.00 37.42 ? 759 ILE A C 1 \nATOM 459 O O . ILE A 1 67 ? 17.347 30.206 -4.353 1.00 36.66 ? 759 ILE A O 1 \nATOM 460 C CB . ILE A 1 67 ? 19.533 32.554 -5.393 1.00 43.35 ? 759 ILE A CB 1 \nATOM 461 C CG1 . ILE A 1 67 ? 21.053 32.762 -5.243 1.00 47.56 ? 759 ILE A CG1 1 \nATOM 462 C CG2 . ILE A 1 67 ? 18.767 33.078 -4.186 1.00 43.77 ? 759 ILE A CG2 1 \nATOM 463 C CD1 . ILE A 1 67 ? 21.516 34.207 -5.124 1.00 44.09 ? 759 ILE A CD1 1 \nATOM 464 N N . LEU A 1 68 ? 16.923 31.151 -6.340 1.00 32.59 ? 760 LEU A N 1 \nATOM 465 C CA . LEU A 1 68 ? 15.477 30.871 -6.229 1.00 44.54 ? 760 LEU A CA 1 \nATOM 466 C C . LEU A 1 68 ? 15.206 29.372 -6.123 1.00 43.78 ? 760 LEU A C 1 \nATOM 467 O O . LEU A 1 68 ? 14.351 28.949 -5.341 1.00 38.07 ? 760 LEU A O 1 \nATOM 468 C CB . LEU A 1 68 ? 14.701 31.506 -7.382 1.00 37.58 ? 760 LEU A CB 1 \nATOM 469 C CG . LEU A 1 68 ? 14.663 33.030 -7.272 1.00 40.85 ? 760 LEU A CG 1 \nATOM 470 C CD1 . LEU A 1 68 ? 14.118 33.694 -8.532 1.00 47.14 ? 760 LEU A CD1 1 \nATOM 471 C CD2 . LEU A 1 68 ? 13.882 33.459 -6.040 1.00 39.46 ? 760 LEU A CD2 1 \nATOM 472 N N . ASP A 1 69 ? 15.966 28.576 -6.874 1.00 37.26 ? 761 ASP A N 1 \nATOM 473 C CA . ASP A 1 69 ? 15.788 27.126 -6.889 1.00 39.19 ? 761 ASP A CA 1 \nATOM 474 C C . ASP A 1 69 ? 16.110 26.500 -5.525 1.00 46.00 ? 761 ASP A C 1 \nATOM 475 O O . ASP A 1 69 ? 15.381 25.626 -5.051 1.00 41.12 ? 761 ASP A O 1 \nATOM 476 C CB . ASP A 1 69 ? 16.625 26.501 -8.020 1.00 44.22 ? 761 ASP A CB 1 \nATOM 477 C CG . ASP A 1 69 ? 16.461 24.979 -8.126 1.00 58.33 ? 761 ASP A CG 1 \nATOM 478 O OD1 . ASP A 1 69 ? 17.492 24.284 -8.152 1.00 49.31 ? 761 ASP A OD1 1 \nATOM 479 O OD2 . ASP A 1 69 ? 15.316 24.470 -8.200 1.00 47.84 ? 761 ASP A OD2 1 \nATOM 480 N N . GLU A 1 70 ? 17.191 26.954 -4.888 1.00 36.07 ? 762 GLU A N 1 \nATOM 481 C CA . GLU A 1 70 ? 17.560 26.438 -3.576 1.00 34.81 ? 762 GLU A CA 1 \nATOM 482 C C . GLU A 1 70 ? 16.600 26.948 -2.508 1.00 32.41 ? 762 GLU A C 1 \nATOM 483 O O . GLU A 1 70 ? 16.215 26.209 -1.596 1.00 36.70 ? 762 GLU A O 1 \nATOM 484 C CB . GLU A 1 70 ? 19.029 26.775 -3.256 1.00 39.98 ? 762 GLU A CB 1 \nATOM 485 C CG . GLU A 1 70 ? 19.960 26.152 -4.283 1.00 46.30 ? 762 GLU A CG 1 \nATOM 486 C CD . GLU A 1 70 ? 21.394 25.995 -3.807 1.00 67.31 ? 762 GLU A CD 1 \nATOM 487 O OE1 . GLU A 1 70 ? 22.255 25.711 -4.666 1.00 61.02 ? 762 GLU A OE1 1 \nATOM 488 O OE2 . GLU A 1 70 ? 21.667 26.144 -2.592 1.00 60.07 ? 762 GLU A OE2 1 \nATOM 489 N N . ALA A 1 71 ? 16.161 28.196 -2.654 1.00 31.03 ? 763 ALA A N 1 \nATOM 490 C CA . ALA A 1 71 ? 15.258 28.767 -1.667 1.00 30.15 ? 763 ALA A CA 1 \nATOM 491 C C . ALA A 1 71 ? 13.909 28.042 -1.718 1.00 31.96 ? 763 ALA A C 1 \nATOM 492 O O . ALA A 1 71 ? 13.237 27.930 -0.700 1.00 32.14 ? 763 ALA A O 1 \nATOM 493 C CB . ALA A 1 71 ? 15.065 30.253 -1.887 1.00 31.59 ? 763 ALA A CB 1 \nATOM 494 N N . TYR A 1 72 ? 13.541 27.551 -2.895 1.00 28.99 ? 764 TYR A N 1 \nATOM 495 C CA . TYR A 1 72 ? 12.229 26.863 -3.044 1.00 29.83 ? 764 TYR A CA 1 \nATOM 496 C C . TYR A 1 72 ? 12.189 25.668 -2.112 1.00 28.72 ? 764 TYR A C 1 \nATOM 497 O O . TYR A 1 72 ? 11.184 25.426 -1.469 1.00 29.34 ? 764 TYR A O 1 \nATOM 498 C CB . TYR A 1 72 ? 11.968 26.408 -4.481 1.00 30.91 ? 764 TYR A CB 1 \nATOM 499 C CG . TYR A 1 72 ? 10.617 25.705 -4.651 1.00 30.27 ? 764 TYR A CG 1 \nATOM 500 C CD1 . TYR A 1 72 ? 10.525 24.314 -4.685 1.00 29.95 ? 764 TYR A CD1 1 \nATOM 501 C CD2 . TYR A 1 72 ? 9.448 26.447 -4.774 1.00 31.11 ? 764 TYR A CD2 1 \nATOM 502 C CE1 . TYR A 1 72 ? 9.299 23.683 -4.830 1.00 36.51 ? 764 TYR A CE1 1 \nATOM 503 C CE2 . TYR A 1 72 ? 8.212 25.822 -4.915 1.00 34.02 ? 764 TYR A CE2 1 \nATOM 504 C CZ . TYR A 1 72 ? 8.153 24.440 -4.943 1.00 31.33 ? 764 TYR A CZ 1 \nATOM 505 O OH . TYR A 1 72 ? 6.926 23.819 -5.090 1.00 36.39 ? 764 TYR A OH 1 \nATOM 506 N N . VAL A 1 73 ? 13.308 24.953 -1.983 1.00 30.36 ? 765 VAL A N 1 \nATOM 507 C CA . VAL A 1 73 ? 13.338 23.790 -1.106 1.00 30.00 ? 765 VAL A CA 1 \nATOM 508 C C . VAL A 1 73 ? 13.144 24.241 0.339 1.00 28.48 ? 765 VAL A C 1 \nATOM 509 O O . VAL A 1 73 ? 12.510 23.540 1.135 1.00 28.46 ? 765 VAL A O 1 \nATOM 510 C CB . VAL A 1 73 ? 14.661 22.982 -1.249 1.00 34.35 ? 765 VAL A CB 1 \nATOM 511 C CG1 . VAL A 1 73 ? 14.648 21.743 -0.361 1.00 37.76 ? 765 VAL A CG1 1 \nATOM 512 C CG2 . VAL A 1 73 ? 14.898 22.599 -2.708 1.00 39.05 ? 765 VAL A CG2 1 \nATOM 513 N N . MET A 1 74 ? 13.685 25.407 0.687 1.00 26.60 ? 766 MET A N 1 \nATOM 514 C CA . MET A 1 74 ? 13.558 25.938 2.055 1.00 27.20 ? 766 MET A CA 1 \nATOM 515 C C . MET A 1 74 ? 12.106 26.365 2.345 1.00 32.09 ? 766 MET A C 1 \nATOM 516 O O . MET A 1 74 ? 11.637 26.292 3.487 1.00 34.54 ? 766 MET A O 1 \nATOM 517 C CB . MET A 1 74 ? 14.561 27.094 2.308 1.00 31.52 ? 766 MET A CB 1 \nATOM 518 C CG . MET A 1 74 ? 16.040 26.737 2.138 1.00 36.39 ? 766 MET A CG 1 \nATOM 519 S SD . MET A 1 74 ? 16.954 28.289 1.995 1.00 35.31 ? 766 MET A SD 1 \nATOM 520 C CE . MET A 1 74 ? 18.693 27.772 1.971 1.00 29.41 ? 766 MET A CE 1 \nATOM 521 N N . ALA A 1 75 ? 11.388 26.768 1.304 1.00 25.55 ? 767 ALA A N 1 \nATOM 522 C CA . ALA A 1 75 ? 9.955 27.147 1.461 1.00 28.35 ? 767 ALA A CA 1 \nATOM 523 C C . ALA A 1 75 ? 8.996 25.957 1.419 1.00 30.50 ? 767 ALA A C 1 \nATOM 524 O O . ALA A 1 75 ? 7.810 26.051 1.829 1.00 35.24 ? 767 ALA A O 1 \nATOM 525 C CB . ALA A 1 75 ? 9.587 28.141 0.385 1.00 27.82 ? 767 ALA A CB 1 \nATOM 526 N N . SER A 1 76 ? 9.486 24.841 0.921 1.00 33.39 ? 768 SER A N 1 \nATOM 527 C CA . SER A 1 76 ? 8.674 23.650 0.666 1.00 36.62 ? 768 SER A CA 1 \nATOM 528 C C . SER A 1 76 ? 8.537 22.757 1.916 1.00 35.31 ? 768 SER A C 1 \nATOM 529 O O . SER A 1 76 ? 7.706 21.837 1.944 1.00 41.31 ? 768 SER A O 1 \nATOM 530 C CB . SER A 1 76 ? 9.315 22.842 -0.478 1.00 30.34 ? 768 SER A CB 1 \nATOM 531 O OG . SER A 1 76 ? 10.337 22.007 0.056 1.00 43.37 ? 768 SER A OG 1 \nATOM 532 N N . VAL A 1 77 ? 9.337 23.017 2.949 1.00 29.89 ? 769 VAL A N 1 \nATOM 533 C CA . VAL A 1 77 ? 9.346 22.117 4.112 1.00 31.80 ? 769 VAL A CA 1 \nATOM 534 C C . VAL A 1 77 ? 8.076 22.226 4.967 1.00 35.73 ? 769 VAL A C 1 \nATOM 535 O O . VAL A 1 77 ? 7.587 23.322 5.240 1.00 40.87 ? 769 VAL A O 1 \nATOM 536 C CB . VAL A 1 77 ? 10.608 22.267 4.970 1.00 36.09 ? 769 VAL A CB 1 \nATOM 537 C CG1 . VAL A 1 77 ? 11.840 21.931 4.144 1.00 34.12 ? 769 VAL A CG1 1 \nATOM 538 C CG2 . VAL A 1 77 ? 10.721 23.677 5.517 1.00 42.89 ? 769 VAL A CG2 1 \nATOM 539 N N . ASP A 1 78 ? 7.546 21.080 5.369 1.00 31.99 ? 770 ASP A N 1 \nATOM 540 C CA . ASP A 1 78 ? 6.279 21.036 6.088 1.00 39.53 ? 770 ASP A CA 1 \nATOM 541 C C . ASP A 1 78 ? 6.391 20.001 7.188 1.00 32.29 ? 770 ASP A C 1 \nATOM 542 O O . ASP A 1 78 ? 6.093 18.820 6.974 1.00 33.73 ? 770 ASP A O 1 \nATOM 543 C CB . ASP A 1 78 ? 5.126 20.706 5.120 1.00 36.58 ? 770 ASP A CB 1 \nATOM 544 C CG . ASP A 1 78 ? 3.755 20.745 5.793 1.00 41.55 ? 770 ASP A CG 1 \nATOM 545 O OD1 . ASP A 1 78 ? 3.591 21.464 6.803 1.00 41.43 ? 770 ASP A OD1 1 \nATOM 546 O OD2 . ASP A 1 78 ? 2.839 20.055 5.297 1.00 61.49 ? 770 ASP A OD2 1 \nATOM 547 N N . ASN A 1 79 ? 6.841 20.458 8.358 1.00 27.92 ? 771 ASN A N 1 \nATOM 548 C CA . ASN A 1 79 ? 7.056 19.600 9.515 1.00 28.79 ? 771 ASN A CA 1 \nATOM 549 C C . ASN A 1 79 ? 7.004 20.473 10.767 1.00 28.51 ? 771 ASN A C 1 \nATOM 550 O O . ASN A 1 79 ? 7.492 21.615 10.753 1.00 32.33 ? 771 ASN A O 1 \nATOM 551 C CB . ASN A 1 79 ? 8.427 18.877 9.404 1.00 31.63 ? 771 ASN A CB 1 \nATOM 552 C CG . ASN A 1 79 ? 8.711 17.968 10.593 1.00 32.66 ? 771 ASN A CG 1 \nATOM 553 O OD1 . ASN A 1 79 ? 9.198 18.412 11.634 1.00 32.35 ? 771 ASN A OD1 1 \nATOM 554 N ND2 . ASN A 1 79 ? 8.412 16.685 10.439 1.00 31.99 ? 771 ASN A ND2 1 \nATOM 555 N N . PRO A 1 80 ? 6.419 19.947 11.868 1.00 36.96 ? 772 PRO A N 1 \nATOM 556 C CA . PRO A 1 80 ? 6.237 20.746 13.090 1.00 37.28 ? 772 PRO A CA 1 \nATOM 557 C C . PRO A 1 80 ? 7.540 21.226 13.729 1.00 33.19 ? 772 PRO A C 1 \nATOM 558 O O . PRO A 1 80 ? 7.524 22.216 14.470 1.00 30.61 ? 772 PRO A O 1 \nATOM 559 C CB . PRO A 1 80 ? 5.540 19.773 14.045 1.00 44.95 ? 772 PRO A CB 1 \nATOM 560 C CG . PRO A 1 80 ? 4.862 18.792 13.164 1.00 49.09 ? 772 PRO A CG 1 \nATOM 561 C CD . PRO A 1 80 ? 5.749 18.635 11.972 1.00 36.80 ? 772 PRO A CD 1 \nATOM 562 N N . HIS A 1 81 ? 8.647 20.524 13.463 1.00 32.01 ? 773 HIS A N 1 \nATOM 563 C CA . HIS A 1 81 ? 9.923 20.890 14.095 1.00 32.30 ? 773 HIS A CA 1 \nATOM 564 C C . HIS A 1 81 ? 10.938 21.522 13.140 1.00 29.91 ? 773 HIS A C 1 \nATOM 565 O O . HIS A 1 81 ? 12.141 21.581 13.433 1.00 31.48 ? 773 HIS A O 1 \nATOM 566 C CB . HIS A 1 81 ? 10.501 19.683 14.866 1.00 30.06 ? 773 HIS A CB 1 \nATOM 567 C CG . HIS A 1 81 ? 9.481 19.002 15.740 1.00 38.50 ? 773 HIS A CG 1 \nATOM 568 N ND1 . HIS A 1 81 ? 8.923 19.607 16.850 1.00 35.97 ? 773 HIS A ND1 1 \nATOM 569 C CD2 . HIS A 1 81 ? 8.862 17.803 15.617 1.00 43.44 ? 773 HIS A CD2 1 \nATOM 570 C CE1 . HIS A 1 81 ? 8.045 18.787 17.401 1.00 35.79 ? 773 HIS A CE1 1 \nATOM 571 N NE2 . HIS A 1 81 ? 7.979 17.690 16.666 1.00 33.01 ? 773 HIS A NE2 1 \nATOM 572 N N . VAL A 1 82 ? 10.444 22.029 12.011 1.00 32.42 ? 774 VAL A N 1 \nATOM 573 C CA . VAL A 1 82 ? 11.292 22.713 11.029 1.00 31.78 ? 774 VAL A CA 1 \nATOM 574 C C . VAL A 1 82 ? 10.590 24.023 10.638 1.00 31.70 ? 774 VAL A C 1 \nATOM 575 O O . VAL A 1 82 ? 9.410 24.021 10.272 1.00 33.83 ? 774 VAL A O 1 \nATOM 576 C CB . VAL A 1 82 ? 11.562 21.858 9.757 1.00 37.83 ? 774 VAL A CB 1 \nATOM 577 C CG1 . VAL A 1 82 ? 12.584 22.547 8.868 1.00 28.77 ? 774 VAL A CG1 1 \nATOM 578 C CG2 . VAL A 1 82 ? 12.050 20.442 10.095 1.00 34.53 ? 774 VAL A CG2 1 \nATOM 579 N N . CYS A 1 83 ? 11.299 25.132 10.784 1.00 31.06 ? 775 CYS A N 1 \nATOM 580 C CA . CYS A 1 83 ? 10.867 26.411 10.246 1.00 32.97 ? 775 CYS A CA 1 \nATOM 581 C C . CYS A 1 83 ? 10.813 26.400 8.725 1.00 31.14 ? 775 CYS A C 1 \nATOM 582 O O . CYS A 1 83 ? 11.570 25.660 8.057 1.00 35.80 ? 775 CYS A O 1 \nATOM 583 C CB . CYS A 1 83 ? 11.836 27.504 10.707 1.00 29.32 ? 775 CYS A CB 1 \nATOM 584 S SG . CYS A 1 83 ? 11.781 27.780 12.482 1.00 36.31 ? 775 CYS A SG 1 \nATOM 585 N N . ARG A 1 84 ? 9.959 27.240 8.152 1.00 27.88 ? 776 ARG A N 1 \nATOM 586 C CA . ARG A 1 84 ? 9.926 27.322 6.704 1.00 26.20 ? 776 ARG A CA 1 \nATOM 587 C C . ARG A 1 84 ? 10.059 28.744 6.212 1.00 25.09 ? 776 ARG A C 1 \nATOM 588 O O . ARG A 1 84 ? 9.700 29.688 6.895 1.00 28.55 ? 776 ARG A O 1 \nATOM 589 C CB . ARG A 1 84 ? 8.682 26.632 6.126 1.00 36.86 ? 776 ARG A CB 1 \nATOM 590 C CG . ARG A 1 84 ? 7.473 27.513 6.073 1.00 39.62 ? 776 ARG A CG 1 \nATOM 591 C CD . ARG A 1 84 ? 6.435 26.936 5.109 1.00 54.28 ? 776 ARG A CD 1 \nATOM 592 N NE . ARG A 1 84 ? 5.496 27.982 4.720 1.00 51.59 ? 776 ARG A NE 1 \nATOM 593 C CZ . ARG A 1 84 ? 5.521 28.662 3.573 1.00 56.49 ? 776 ARG A CZ 1 \nATOM 594 N NH1 . ARG A 1 84 ? 6.423 28.405 2.636 1.00 45.85 ? 776 ARG A NH1 1 \nATOM 595 N NH2 . ARG A 1 84 ? 4.607 29.596 3.351 1.00 62.64 ? 776 ARG A NH2 1 \nATOM 596 N N . LEU A 1 85 ? 10.660 28.874 5.042 1.00 32.82 ? 777 LEU A N 1 \nATOM 597 C CA . LEU A 1 85 ? 10.839 30.155 4.397 1.00 39.54 ? 777 LEU A CA 1 \nATOM 598 C C . LEU A 1 85 ? 9.481 30.608 3.865 1.00 41.12 ? 777 LEU A C 1 \nATOM 599 O O . LEU A 1 85 ? 8.752 29.829 3.249 1.00 36.46 ? 777 LEU A O 1 \nATOM 600 C CB . LEU A 1 85 ? 11.873 30.008 3.284 1.00 37.75 ? 777 LEU A CB 1 \nATOM 601 C CG . LEU A 1 85 ? 12.599 31.245 2.783 1.00 41.91 ? 777 LEU A CG 1 \nATOM 602 C CD1 . LEU A 1 85 ? 13.269 31.938 3.962 1.00 35.23 ? 777 LEU A CD1 1 \nATOM 603 C CD2 . LEU A 1 85 ? 13.619 30.839 1.737 1.00 39.23 ? 777 LEU A CD2 1 \nATOM 604 N N . LEU A 1 86 ? 9.106 31.841 4.179 1.00 35.56 ? 778 LEU A N 1 \nATOM 605 C CA . LEU A 1 86 ? 7.850 32.407 3.671 1.00 37.08 ? 778 LEU A CA 1 \nATOM 606 C C . LEU A 1 86 ? 8.067 33.176 2.372 1.00 39.75 ? 778 LEU A C 1 \nATOM 607 O O . LEU A 1 86 ? 7.184 33.229 1.510 1.00 45.05 ? 778 LEU A O 1 \nATOM 608 C CB . LEU A 1 86 ? 7.251 33.354 4.706 1.00 33.02 ? 778 LEU A CB 1 \nATOM 609 C CG . LEU A 1 86 ? 6.736 32.791 6.028 1.00 43.06 ? 778 LEU A CG 1 \nATOM 610 C CD1 . LEU A 1 86 ? 6.379 33.930 6.967 1.00 41.81 ? 778 LEU A CD1 1 \nATOM 611 C CD2 . LEU A 1 86 ? 5.533 31.872 5.829 1.00 55.69 ? 778 LEU A CD2 1 \nATOM 612 N N . GLY A 1 87 ? 9.235 33.799 2.246 1.00 38.68 ? 779 GLY A N 1 \nATOM 613 C CA . GLY A 1 87 ? 9.483 34.706 1.147 1.00 38.09 ? 779 GLY A CA 1 \nATOM 614 C C . GLY A 1 87 ? 10.944 35.031 0.929 1.00 34.62 ? 779 GLY A C 1 \nATOM 615 O O . GLY A 1 87 ? 11.816 34.682 1.729 1.00 34.55 ? 779 GLY A O 1 \nATOM 616 N N . ILE A 1 88 ? 11.206 35.696 -0.181 1.00 36.47 ? 780 ILE A N 1 \nATOM 617 C CA . ILE A 1 88 ? 12.549 36.078 -0.537 1.00 32.86 ? 780 ILE A CA 1 \nATOM 618 C C . ILE A 1 88 ? 12.467 37.364 -1.342 1.00 37.56 ? 780 ILE A C 1 \nATOM 619 O O . ILE A 1 88 ? 11.461 37.641 -2.019 1.00 35.89 ? 780 ILE A O 1 \nATOM 620 C CB . ILE A 1 88 ? 13.271 34.933 -1.305 1.00 36.74 ? 780 ILE A CB 1 \nATOM 621 C CG1 . ILE A 1 88 ? 14.757 35.226 -1.508 1.00 37.01 ? 780 ILE A CG1 1 \nATOM 622 C CG2 . ILE A 1 88 ? 12.566 34.586 -2.612 1.00 39.84 ? 780 ILE A CG2 1 \nATOM 623 C CD1 . ILE A 1 88 ? 15.542 34.015 -1.981 1.00 41.12 ? 780 ILE A CD1 1 \nATOM 624 N N . CYS A 1 89 ? 13.504 38.179 -1.218 1.00 34.22 ? 781 CYS A N 1 \nATOM 625 C CA . CYS A 1 89 ? 13.584 39.409 -1.968 1.00 39.58 ? 781 CYS A CA 1 \nATOM 626 C C . CYS A 1 89 ? 15.008 39.513 -2.476 1.00 42.52 ? 781 CYS A C 1 \nATOM 627 O O . CYS A 1 89 ? 15.968 39.597 -1.696 1.00 42.31 ? 781 CYS A O 1 \nATOM 628 C CB . CYS A 1 89 ? 13.209 40.593 -1.091 1.00 42.05 ? 781 CYS A CB 1 \nATOM 629 S SG . CYS A 1 89 ? 13.340 42.208 -1.900 1.00 52.46 ? 781 CYS A SG 1 \nATOM 630 N N . LEU A 1 90 ? 15.137 39.460 -3.794 1.00 40.33 ? 782 LEU A N 1 \nATOM 631 C CA . LEU A 1 90 ? 16.427 39.615 -4.427 1.00 52.46 ? 782 LEU A CA 1 \nATOM 632 C C . LEU A 1 90 ? 16.577 41.062 -4.912 1.00 57.91 ? 782 LEU A C 1 \nATOM 633 O O . LEU A 1 90 ? 15.686 41.607 -5.575 1.00 53.42 ? 782 LEU A O 1 \nATOM 634 C CB . LEU A 1 90 ? 16.593 38.602 -5.561 1.00 46.81 ? 782 LEU A CB 1 \nATOM 635 C CG . LEU A 1 90 ? 16.440 37.118 -5.193 1.00 50.02 ? 782 LEU A CG 1 \nATOM 636 C CD1 . LEU A 1 90 ? 16.409 36.255 -6.440 1.00 58.30 ? 782 LEU A CD1 1 \nATOM 637 C CD2 . LEU A 1 90 ? 17.535 36.643 -4.245 1.00 47.01 ? 782 LEU A CD2 1 \nATOM 638 N N . THR A 1 91 ? 17.681 41.688 -4.513 1.00 57.02 ? 783 THR A N 1 \nATOM 639 C CA . THR A 1 91 ? 18.058 43.033 -4.953 1.00 57.87 ? 783 THR A CA 1 \nATOM 640 C C . THR A 1 91 ? 19.559 42.976 -5.243 1.00 56.07 ? 783 THR A C 1 \nATOM 641 O O . THR A 1 91 ? 20.020 42.064 -5.932 1.00 68.18 ? 783 THR A O 1 \nATOM 642 C CB . THR A 1 91 ? 17.787 44.109 -3.877 1.00 57.17 ? 783 THR A CB 1 \nATOM 643 O OG1 . THR A 1 91 ? 18.534 43.803 -2.690 1.00 63.32 ? 783 THR A OG1 1 \nATOM 644 C CG2 . THR A 1 91 ? 16.297 44.223 -3.544 1.00 60.21 ? 783 THR A CG2 1 \nATOM 645 N N . SER A 1 92 ? 20.317 43.931 -4.705 1.00 61.57 ? 784 SER A N 1 \nATOM 646 C CA . SER A 1 92 ? 21.778 43.830 -4.658 1.00 62.64 ? 784 SER A CA 1 \nATOM 647 C C . SER A 1 92 ? 22.205 42.824 -3.584 1.00 66.71 ? 784 SER A C 1 \nATOM 648 O O . SER A 1 92 ? 23.330 42.310 -3.611 1.00 73.57 ? 784 SER A O 1 \nATOM 649 C CB . SER A 1 92 ? 22.413 45.198 -4.391 1.00 65.94 ? 784 SER A CB 1 \nATOM 650 O OG . SER A 1 92 ? 21.881 45.793 -3.219 1.00 77.36 ? 784 SER A OG 1 \nATOM 651 N N . THR A 1 93 ? 21.296 42.553 -2.644 1.00 56.80 ? 785 THR A N 1 \nATOM 652 C CA . THR A 1 93 ? 21.494 41.540 -1.602 1.00 50.80 ? 785 THR A CA 1 \nATOM 653 C C . THR A 1 93 ? 20.393 40.478 -1.669 1.00 48.30 ? 785 THR A C 1 \nATOM 654 O O . THR A 1 93 ? 19.331 40.704 -2.264 1.00 47.91 ? 785 THR A O 1 \nATOM 655 C CB . THR A 1 93 ? 21.428 42.150 -0.184 1.00 51.80 ? 785 THR A CB 1 \nATOM 656 O OG1 . THR A 1 93 ? 20.089 42.598 0.080 1.00 49.48 ? 785 THR A OG1 1 \nATOM 657 C CG2 . THR A 1 93 ? 22.410 43.311 -0.027 1.00 59.94 ? 785 THR A CG2 1 \nATOM 658 N N . VAL A 1 94 ? 20.645 39.332 -1.039 1.00 46.00 ? 786 VAL A N 1 \nATOM 659 C CA . VAL A 1 94 ? 19.597 38.329 -0.826 1.00 38.67 ? 786 VAL A CA 1 \nATOM 660 C C . VAL A 1 94 ? 18.979 38.517 0.553 1.00 36.32 ? 786 VAL A C 1 \nATOM 661 O O . VAL A 1 94 ? 19.693 38.530 1.546 1.00 39.63 ? 786 VAL A O 1 \nATOM 662 C CB . VAL A 1 94 ? 20.142 36.898 -0.953 1.00 38.01 ? 786 VAL A CB 1 \nATOM 663 C CG1 . VAL A 1 94 ? 19.031 35.871 -0.729 1.00 48.90 ? 786 VAL A CG1 1 \nATOM 664 C CG2 . VAL A 1 94 ? 20.782 36.700 -2.320 1.00 48.03 ? 786 VAL A CG2 1 \nATOM 665 N N . GLN A 1 95 ? 17.653 38.626 0.610 1.00 36.69 ? 787 GLN A N 1 \nATOM 666 C CA . GLN A 1 95 ? 16.944 38.695 1.883 1.00 35.65 ? 787 GLN A CA 1 \nATOM 667 C C . GLN A 1 95 ? 15.909 37.581 2.032 1.00 39.78 ? 787 GLN A C 1 \nATOM 668 O O . GLN A 1 95 ? 15.052 37.404 1.156 1.00 35.85 ? 787 GLN A O 1 \nATOM 669 C CB . GLN A 1 95 ? 16.259 40.049 2.058 1.00 38.83 ? 787 GLN A CB 1 \nATOM 670 C CG . GLN A 1 95 ? 17.235 41.187 2.339 1.00 38.72 ? 787 GLN A CG 1 \nATOM 671 C CD . GLN A 1 95 ? 16.536 42.518 2.516 1.00 42.16 ? 787 GLN A CD 1 \nATOM 672 O OE1 . GLN A 1 95 ? 16.253 42.927 3.638 1.00 41.78 ? 787 GLN A OE1 1 \nATOM 673 N NE2 . GLN A 1 95 ? 16.248 43.197 1.412 1.00 43.91 ? 787 GLN A NE2 1 \nATOM 674 N N . LEU A 1 96 ? 15.995 36.856 3.148 1.00 33.94 ? 788 LEU A N 1 \nATOM 675 C CA . LEU A 1 96 ? 15.086 35.737 3.441 1.00 35.29 ? 788 LEU A CA 1 \nATOM 676 C C . LEU A 1 96 ? 14.084 36.113 4.506 1.00 30.71 ? 788 LEU A C 1 \nATOM 677 O O . LEU A 1 96 ? 14.427 36.716 5.524 1.00 32.86 ? 788 LEU A O 1 \nATOM 678 C CB . LEU A 1 96 ? 15.887 34.523 3.909 1.00 32.95 ? 788 LEU A CB 1 \nATOM 679 C CG . LEU A 1 96 ? 17.028 34.042 3.026 1.00 35.16 ? 788 LEU A CG 1 \nATOM 680 C CD1 . LEU A 1 96 ? 17.745 32.897 3.724 1.00 34.86 ? 788 LEU A CD1 1 \nATOM 681 C CD2 . LEU A 1 96 ? 16.502 33.617 1.664 1.00 37.74 ? 788 LEU A CD2 1 \nATOM 682 N N . ILE A 1 97 ? 12.820 35.776 4.290 1.00 30.64 ? 789 ILE A N 1 \nATOM 683 C CA . ILE A 1 97 ? 11.799 36.205 5.231 1.00 28.88 ? 789 ILE A CA 1 \nATOM 684 C C . ILE A 1 97 ? 11.097 34.984 5.799 1.00 25.85 ? 789 ILE A C 1 \nATOM 685 O O . ILE A 1 97 ? 10.735 34.081 5.056 1.00 33.02 ? 789 ILE A O 1 \nATOM 686 C CB . ILE A 1 97 ? 10.799 37.178 4.563 1.00 34.04 ? 789 ILE A CB 1 \nATOM 687 C CG1 . ILE A 1 97 ? 11.507 38.480 4.147 1.00 37.69 ? 789 ILE A CG1 1 \nATOM 688 C CG2 . ILE A 1 97 ? 9.617 37.488 5.479 1.00 35.36 ? 789 ILE A CG2 1 \nATOM 689 C CD1 . ILE A 1 97 ? 12.058 38.438 2.739 1.00 38.70 ? 789 ILE A CD1 1 \nATOM 690 N N . THR A 1 98 ? 10.936 34.964 7.116 1.00 25.06 ? 790 THR A N 1 \nATOM 691 C CA . THR A 1 98 ? 10.342 33.827 7.816 1.00 27.17 ? 790 THR A CA 1 \nATOM 692 C C . THR A 1 98 ? 9.494 34.315 8.999 1.00 29.00 ? 790 THR A C 1 \nATOM 693 O O . THR A 1 98 ? 9.635 35.461 9.477 1.00 29.51 ? 790 THR A O 1 \nATOM 694 C CB . THR A 1 98 ? 11.412 32.818 8.305 1.00 30.02 ? 790 THR A CB 1 \nATOM 695 O OG1 . THR A 1 98 ? 10.789 31.611 8.765 1.00 34.01 ? 790 THR A OG1 1 \nATOM 696 C CG2 . THR A 1 98 ? 12.237 33.433 9.444 1.00 31.21 ? 790 THR A CG2 1 \nATOM 697 N N . GLN A 1 99 ? 8.618 33.441 9.488 1.00 30.66 ? 791 GLN A N 1 \nATOM 698 C CA . GLN A 1 99 ? 7.785 33.807 10.630 1.00 36.46 ? 791 GLN A CA 1 \nATOM 699 C C . GLN A 1 99 ? 8.674 34.148 11.824 1.00 34.02 ? 791 GLN A C 1 \nATOM 700 O O . GLN A 1 99 ? 9.592 33.396 12.152 1.00 33.64 ? 791 GLN A O 1 \nATOM 701 C CB . GLN A 1 99 ? 6.819 32.678 10.987 1.00 35.09 ? 791 GLN A CB 1 \nATOM 702 C CG . GLN A 1 99 ? 5.969 32.941 12.226 1.00 43.19 ? 791 GLN A CG 1 \nATOM 703 C CD . GLN A 1 99 ? 5.029 31.789 12.571 1.00 55.79 ? 791 GLN A CD 1 \nATOM 704 O OE1 . GLN A 1 99 ? 5.093 30.712 11.975 1.00 52.44 ? 791 GLN A OE1 1 \nATOM 705 N NE2 . GLN A 1 99 ? 4.162 32.011 13.552 1.00 61.70 ? 791 GLN A NE2 1 \nATOM 706 N N . LEU A 1 100 ? 8.411 35.287 12.464 1.00 31.17 ? 792 LEU A N 1 \nATOM 707 C CA . LEU A 1 100 ? 9.174 35.661 13.656 1.00 33.99 ? 792 LEU A CA 1 \nATOM 708 C C . LEU A 1 100 ? 8.850 34.728 14.811 1.00 43.25 ? 792 LEU A C 1 \nATOM 709 O O . LEU A 1 100 ? 7.684 34.452 15.080 1.00 34.41 ? 792 LEU A O 1 \nATOM 710 C CB . LEU A 1 100 ? 8.922 37.111 14.075 1.00 29.38 ? 792 LEU A CB 1 \nATOM 711 C CG . LEU A 1 100 ? 9.671 37.595 15.317 1.00 33.72 ? 792 LEU A CG 1 \nATOM 712 C CD1 . LEU A 1 100 ? 11.186 37.568 15.018 1.00 31.79 ? 792 LEU A CD1 1 \nATOM 713 C CD2 . LEU A 1 100 ? 9.205 38.962 15.810 1.00 33.47 ? 792 LEU A CD2 1 \nATOM 714 N N . MET A 1 101 ? 9.888 34.228 15.477 1.00 34.59 ? 793 MET A N 1 \nATOM 715 C CA . MET A 1 101 ? 9.710 33.390 16.667 1.00 38.57 ? 793 MET A CA 1 \nATOM 716 C C . MET A 1 101 ? 10.133 34.232 17.866 1.00 35.33 ? 793 MET A C 1 \nATOM 717 O O . MET A 1 101 ? 11.318 34.339 18.163 1.00 31.81 ? 793 MET A O 1 \nATOM 718 C CB . MET A 1 101 ? 10.542 32.098 16.609 1.00 31.33 ? 793 MET A CB 1 \nATOM 719 C CG . MET A 1 101 ? 10.279 31.184 15.428 1.00 47.71 ? 793 MET A CG 1 \nATOM 720 S SD . MET A 1 101 ? 8.821 30.169 15.693 1.00 56.46 ? 793 MET A SD 1 \nATOM 721 C CE . MET A 1 101 ? 7.733 30.916 14.499 1.00 48.95 ? 793 MET A CE 1 \nATOM 722 N N . PRO A 1 102 ? 9.162 34.859 18.553 1.00 35.55 ? 794 PRO A N 1 \nATOM 723 C CA . PRO A 1 102 ? 9.545 35.860 19.543 1.00 30.76 ? 794 PRO A CA 1 \nATOM 724 C C . PRO A 1 102 ? 9.986 35.307 20.884 1.00 28.26 ? 794 PRO A C 1 \nATOM 725 O O . PRO A 1 102 ? 10.447 36.072 21.701 1.00 34.35 ? 794 PRO A O 1 \nATOM 726 C CB . PRO A 1 102 ? 8.248 36.694 19.710 1.00 42.71 ? 794 PRO A CB 1 \nATOM 727 C CG . PRO A 1 102 ? 7.172 35.699 19.470 1.00 43.64 ? 794 PRO A CG 1 \nATOM 728 C CD . PRO A 1 102 ? 7.693 34.780 18.392 1.00 44.18 ? 794 PRO A CD 1 \nATOM 729 N N . PHE A 1 103 ? 9.891 33.990 21.115 1.00 29.98 ? 795 PHE A N 1 \nATOM 730 C CA . PHE A 1 103 ? 10.526 33.422 22.310 1.00 33.66 ? 795 PHE A CA 1 \nATOM 731 C C . PHE A 1 103 ? 12.029 33.222 22.148 1.00 31.23 ? 795 PHE A C 1 \nATOM 732 O O . PHE A 1 103 ? 12.724 32.956 23.132 1.00 37.68 ? 795 PHE A O 1 \nATOM 733 C CB . PHE A 1 103 ? 9.840 32.132 22.793 1.00 39.00 ? 795 PHE A CB 1 \nATOM 734 C CG . PHE A 1 103 ? 8.409 32.336 23.205 1.00 47.26 ? 795 PHE A CG 1 \nATOM 735 C CD1 . PHE A 1 103 ? 7.408 31.504 22.721 1.00 53.18 ? 795 PHE A CD1 1 \nATOM 736 C CD2 . PHE A 1 103 ? 8.058 33.381 24.059 1.00 58.22 ? 795 PHE A CD2 1 \nATOM 737 C CE1 . PHE A 1 103 ? 6.080 31.702 23.090 1.00 72.79 ? 795 PHE A CE1 1 \nATOM 738 C CE2 . PHE A 1 103 ? 6.734 33.585 24.431 1.00 64.24 ? 795 PHE A CE2 1 \nATOM 739 C CZ . PHE A 1 103 ? 5.742 32.745 23.944 1.00 67.83 ? 795 PHE A CZ 1 \nATOM 740 N N . GLY A 1 104 ? 12.521 33.370 20.915 1.00 32.03 ? 796 GLY A N 1 \nATOM 741 C CA . GLY A 1 104 ? 13.979 33.388 20.629 1.00 34.05 ? 796 GLY A CA 1 \nATOM 742 C C . GLY A 1 104 ? 14.608 32.018 20.441 1.00 33.43 ? 796 GLY A C 1 \nATOM 743 O O . GLY A 1 104 ? 13.889 31.009 20.242 1.00 31.30 ? 796 GLY A O 1 \nATOM 744 N N . CYS A 1 105 ? 15.943 31.954 20.486 1.00 30.57 ? 797 CYS A N 1 \nATOM 745 C CA . CYS A 1 105 ? 16.586 30.652 20.281 1.00 29.37 ? 797 CYS A CA 1 \nATOM 746 C C . CYS A 1 105 ? 16.668 29.805 21.550 1.00 30.71 ? 797 CYS A C 1 \nATOM 747 O O . CYS A 1 105 ? 16.623 30.314 22.695 1.00 30.01 ? 797 CYS A O 1 \nATOM 748 C CB . CYS A 1 105 ? 17.978 30.814 19.648 1.00 43.11 ? 797 CYS A CB 1 \nATOM 749 S SG . CYS A 1 105 ? 19.123 31.656 20.730 1.00 58.13 ? 797 CYS A SG 1 \nATOM 750 N N . LEU A 1 106 ? 16.791 28.495 21.342 1.00 35.30 ? 798 LEU A N 1 \nATOM 751 C CA . LEU A 1 106 ? 16.874 27.549 22.445 1.00 34.49 ? 798 LEU A CA 1 \nATOM 752 C C . LEU A 1 106 ? 18.173 27.763 23.222 1.00 29.27 ? 798 LEU A C 1 \nATOM 753 O O . LEU A 1 106 ? 18.205 27.541 24.431 1.00 31.95 ? 798 LEU A O 1 \nATOM 754 C CB . LEU A 1 106 ? 16.769 26.092 21.946 1.00 28.13 ? 798 LEU A CB 1 \nATOM 755 C CG . LEU A 1 106 ? 16.579 25.005 23.020 1.00 30.34 ? 798 LEU A CG 1 \nATOM 756 C CD1 . LEU A 1 106 ? 15.398 25.294 23.961 1.00 34.84 ? 798 LEU A CD1 1 \nATOM 757 C CD2 . LEU A 1 106 ? 16.357 23.627 22.364 1.00 29.21 ? 798 LEU A CD2 1 \nATOM 758 N N . LEU A 1 107 ? 19.221 28.218 22.540 1.00 31.78 ? 799 LEU A N 1 \nATOM 759 C CA . LEU A 1 107 ? 20.484 28.489 23.226 1.00 30.68 ? 799 LEU A CA 1 \nATOM 760 C C . LEU A 1 107 ? 20.288 29.581 24.284 1.00 32.64 ? 799 LEU A C 1 \nATOM 761 O O . LEU A 1 107 ? 20.748 29.461 25.421 1.00 31.25 ? 799 LEU A O 1 \nATOM 762 C CB . LEU A 1 107 ? 21.592 28.875 22.230 1.00 32.88 ? 799 LEU A CB 1 \nATOM 763 C CG . LEU A 1 107 ? 22.929 29.276 22.874 1.00 31.32 ? 799 LEU A CG 1 \nATOM 764 C CD1 . LEU A 1 107 ? 23.518 28.108 23.667 1.00 36.85 ? 799 LEU A CD1 1 \nATOM 765 C CD2 . LEU A 1 107 ? 23.967 29.769 21.868 1.00 36.94 ? 799 LEU A CD2 1 \nATOM 766 N N . ASP A 1 108 ? 19.583 30.643 23.912 1.00 32.68 ? 800 ASP A N 1 \nATOM 767 C CA . ASP A 1 108 ? 19.374 31.739 24.855 1.00 34.91 ? 800 ASP A CA 1 \nATOM 768 C C . ASP A 1 108 ? 18.443 31.291 25.942 1.00 31.79 ? 800 ASP A C 1 \nATOM 769 O O . ASP A 1 108 ? 18.597 31.688 27.095 1.00 32.60 ? 800 ASP A O 1 \nATOM 770 C CB . ASP A 1 108 ? 18.845 32.992 24.160 1.00 34.98 ? 800 ASP A CB 1 \nATOM 771 C CG . ASP A 1 108 ? 19.900 33.683 23.315 1.00 52.24 ? 800 ASP A CG 1 \nATOM 772 O OD1 . ASP A 1 108 ? 19.513 34.368 22.349 1.00 55.86 ? 800 ASP A OD1 1 \nATOM 773 O OD2 . ASP A 1 108 ? 21.114 33.544 23.610 1.00 50.16 ? 800 ASP A OD2 1 \nATOM 774 N N . TYR A 1 109 ? 17.485 30.434 25.575 1.00 32.99 ? 801 TYR A N 1 \nATOM 775 C CA . TYR A 1 109 ? 16.480 29.942 26.513 1.00 37.10 ? 801 TYR A CA 1 \nATOM 776 C C . TYR A 1 109 ? 17.077 29.074 27.614 1.00 36.24 ? 801 TYR A C 1 \nATOM 777 O O . TYR A 1 109 ? 16.769 29.274 28.794 1.00 36.20 ? 801 TYR A O 1 \nATOM 778 C CB . TYR A 1 109 ? 15.381 29.168 25.781 1.00 31.79 ? 801 TYR A CB 1 \nATOM 779 C CG . TYR A 1 109 ? 14.195 28.833 26.648 1.00 40.70 ? 801 TYR A CG 1 \nATOM 780 C CD1 . TYR A 1 109 ? 14.160 27.658 27.392 1.00 40.54 ? 801 TYR A CD1 1 \nATOM 781 C CD2 . TYR A 1 109 ? 13.087 29.703 26.717 1.00 40.28 ? 801 TYR A CD2 1 \nATOM 782 C CE1 . TYR A 1 109 ? 13.060 27.344 28.187 1.00 45.35 ? 801 TYR A CE1 1 \nATOM 783 C CE2 . TYR A 1 109 ? 11.985 29.402 27.512 1.00 47.53 ? 801 TYR A CE2 1 \nATOM 784 C CZ . TYR A 1 109 ? 11.979 28.223 28.241 1.00 48.21 ? 801 TYR A CZ 1 \nATOM 785 O OH . TYR A 1 109 ? 10.900 27.909 29.028 1.00 52.74 ? 801 TYR A OH 1 \nATOM 786 N N . VAL A 1 110 ? 17.945 28.132 27.248 1.00 34.38 ? 802 VAL A N 1 \nATOM 787 C CA . VAL A 1 110 ? 18.619 27.317 28.275 1.00 32.90 ? 802 VAL A CA 1 \nATOM 788 C C . VAL A 1 110 ? 19.560 28.099 29.203 1.00 35.29 ? 802 VAL A C 1 \nATOM 789 O O . VAL A 1 110 ? 19.650 27.794 30.384 1.00 36.18 ? 802 VAL A O 1 \nATOM 790 C CB . VAL A 1 110 ? 19.318 26.049 27.707 1.00 35.68 ? 802 VAL A CB 1 \nATOM 791 C CG1 . VAL A 1 110 ? 18.309 25.183 26.975 1.00 32.43 ? 802 VAL A CG1 1 \nATOM 792 C CG2 . VAL A 1 110 ? 20.491 26.388 26.799 1.00 30.24 ? 802 VAL A CG2 1 \nATOM 793 N N . ARG A 1 111 ? 20.273 29.077 28.652 1.00 35.21 ? 803 ARG A N 1 \nATOM 794 C CA . ARG A 1 111 ? 21.118 29.983 29.430 1.00 34.14 ? 803 ARG A CA 1 \nATOM 795 C C . ARG A 1 111 ? 20.283 30.806 30.422 1.00 34.89 ? 803 ARG A C 1 \nATOM 796 O O . ARG A 1 111 ? 20.659 30.943 31.581 1.00 36.87 ? 803 ARG A O 1 \nATOM 797 C CB . ARG A 1 111 ? 21.882 30.923 28.493 1.00 37.80 ? 803 ARG A CB 1 \nATOM 798 C CG . ARG A 1 111 ? 23.077 30.252 27.824 1.00 40.47 ? 803 ARG A CG 1 \nATOM 799 C CD . ARG A 1 111 ? 23.626 31.102 26.693 1.00 37.81 ? 803 ARG A CD 1 \nATOM 800 N NE . ARG A 1 111 ? 24.840 30.526 26.094 1.00 31.61 ? 803 ARG A NE 1 \nATOM 801 C CZ . ARG A 1 111 ? 25.558 31.121 25.144 1.00 42.39 ? 803 ARG A CZ 1 \nATOM 802 N NH1 . ARG A 1 111 ? 25.187 32.304 24.666 1.00 40.81 ? 803 ARG A NH1 1 \nATOM 803 N NH2 . ARG A 1 111 ? 26.647 30.541 24.660 1.00 37.03 ? 803 ARG A NH2 1 \nATOM 804 N N . GLU A 1 112 ? 19.133 31.303 29.973 1.00 38.72 ? 804 GLU A N 1 \nATOM 805 C CA . GLU A 1 112 ? 18.271 32.145 30.822 1.00 41.32 ? 804 GLU A CA 1 \nATOM 806 C C . GLU A 1 112 ? 17.514 31.355 31.902 1.00 49.15 ? 804 GLU A C 1 \nATOM 807 O O . GLU A 1 112 ? 17.378 31.812 33.048 1.00 42.48 ? 804 GLU A O 1 \nATOM 808 C CB . GLU A 1 112 ? 17.299 32.946 29.948 1.00 41.36 ? 804 GLU A CB 1 \nATOM 809 C CG . GLU A 1 112 ? 16.339 33.862 30.708 1.00 59.06 ? 804 GLU A CG 1 \nATOM 810 C CD . GLU A 1 112 ? 16.924 35.233 31.006 1.00 77.26 ? 804 GLU A CD 1 \nATOM 811 O OE1 . GLU A 1 112 ? 18.167 35.388 30.997 1.00 77.65 ? 804 GLU A OE1 1 \nATOM 812 O OE2 . GLU A 1 112 ? 16.130 36.168 31.246 1.00 98.71 ? 804 GLU A OE2 1 \nATOM 813 N N . HIS A 1 113 ? 17.039 30.166 31.541 1.00 38.93 ? 805 HIS A N 1 \nATOM 814 C CA . HIS A 1 113 ? 16.138 29.400 32.401 1.00 43.34 ? 805 HIS A CA 1 \nATOM 815 C C . HIS A 1 113 ? 16.748 28.177 33.068 1.00 43.35 ? 805 HIS A C 1 \nATOM 816 O O . HIS A 1 113 ? 16.020 27.342 33.600 1.00 51.79 ? 805 HIS A O 1 \nATOM 817 C CB . HIS A 1 113 ? 14.870 29.006 31.632 1.00 44.55 ? 805 HIS A CB 1 \nATOM 818 C CG . HIS A 1 113 ? 14.083 30.182 31.156 1.00 52.86 ? 805 HIS A CG 1 \nATOM 819 N ND1 . HIS A 1 113 ? 14.167 30.660 29.867 1.00 54.67 ? 805 HIS A ND1 1 \nATOM 820 C CD2 . HIS A 1 113 ? 13.232 31.007 31.809 1.00 55.38 ? 805 HIS A CD2 1 \nATOM 821 C CE1 . HIS A 1 113 ? 13.389 31.720 29.742 1.00 60.50 ? 805 HIS A CE1 1 \nATOM 822 N NE2 . HIS A 1 113 ? 12.809 31.950 30.905 1.00 62.29 ? 805 HIS A NE2 1 \nATOM 823 N N . LYS A 1 114 ? 18.074 28.090 33.066 1.00 44.74 ? 806 LYS A N 1 \nATOM 824 C CA . LYS A 1 114 ? 18.785 26.942 33.615 1.00 45.17 ? 806 LYS A CA 1 \nATOM 825 C C . LYS A 1 114 ? 18.172 26.384 34.918 1.00 56.68 ? 806 LYS A C 1 \nATOM 826 O O . LYS A 1 114 ? 17.865 25.192 35.011 1.00 53.97 ? 806 LYS A O 1 \nATOM 827 C CB . LYS A 1 114 ? 20.268 27.288 33.806 1.00 43.12 ? 806 LYS A CB 1 \nATOM 828 C CG . LYS A 1 114 ? 21.042 26.183 34.499 1.00 58.87 ? 806 LYS A CG 1 \nATOM 829 C CD . LYS A 1 114 ? 22.491 26.560 34.763 1.00 64.56 ? 806 LYS A CD 1 \nATOM 830 C CE . LYS A 1 114 ? 23.200 25.398 35.441 1.00 65.16 ? 806 LYS A CE 1 \nATOM 831 N NZ . LYS A 1 114 ? 24.382 25.844 36.218 1.00 60.36 ? 806 LYS A NZ 1 \nATOM 832 N N . ASP A 1 115 ? 17.965 27.256 35.904 1.00 53.18 ? 807 ASP A N 1 \nATOM 833 C CA . ASP A 1 115 ? 17.482 26.843 37.231 1.00 56.78 ? 807 ASP A CA 1 \nATOM 834 C C . ASP A 1 115 ? 16.028 26.323 37.271 1.00 63.01 ? 807 ASP A C 1 \nATOM 835 O O . ASP A 1 115 ? 15.553 25.851 38.313 1.00 56.81 ? 807 ASP A O 1 \nATOM 836 C CB . ASP A 1 115 ? 17.667 27.995 38.233 1.00 62.76 ? 807 ASP A CB 1 \nATOM 837 C CG . ASP A 1 115 ? 19.124 28.431 38.363 1.00 73.79 ? 807 ASP A CG 1 \nATOM 838 O OD1 . ASP A 1 115 ? 20.027 27.618 38.050 1.00 68.87 ? 807 ASP A OD1 1 \nATOM 839 O OD2 . ASP A 1 115 ? 19.366 29.586 38.782 1.00 75.03 ? 807 ASP A OD2 1 \nATOM 840 N N . ASN A 1 116 ? 15.330 26.396 36.142 1.00 45.89 ? 808 ASN A N 1 \nATOM 841 C CA . ASN A 1 116 ? 13.943 25.914 36.067 1.00 56.29 ? 808 ASN A CA 1 \nATOM 842 C C . ASN A 1 116 ? 13.695 24.837 35.025 1.00 52.02 ? 808 ASN A C 1 \nATOM 843 O O . ASN A 1 116 ? 12.554 24.400 34.845 1.00 49.29 ? 808 ASN A O 1 \nATOM 844 C CB . ASN A 1 116 ? 12.980 27.078 35.838 1.00 48.40 ? 808 ASN A CB 1 \nATOM 845 C CG . ASN A 1 116 ? 12.826 27.946 37.065 1.00 62.63 ? 808 ASN A CG 1 \nATOM 846 O OD1 . ASN A 1 116 ? 12.477 27.461 38.144 1.00 73.28 ? 808 ASN A OD1 1 \nATOM 847 N ND2 . ASN A 1 116 ? 13.085 29.238 36.909 1.00 61.06 ? 808 ASN A ND2 1 \nATOM 848 N N . ILE A 1 117 ? 14.753 24.416 34.339 1.00 48.57 ? 809 ILE A N 1 \nATOM 849 C CA . ILE A 1 117 ? 14.637 23.400 33.288 1.00 41.03 ? 809 ILE A CA 1 \nATOM 850 C C . ILE A 1 117 ? 14.874 21.999 33.849 1.00 45.86 ? 809 ILE A C 1 \nATOM 851 O O . ILE A 1 117 ? 15.958 21.694 34.351 1.00 41.10 ? 809 ILE A O 1 \nATOM 852 C CB . ILE A 1 117 ? 15.604 23.686 32.115 1.00 41.13 ? 809 ILE A CB 1 \nATOM 853 C CG1 . ILE A 1 117 ? 15.190 24.972 31.390 1.00 35.35 ? 809 ILE A CG1 1 \nATOM 854 C CG2 . ILE A 1 117 ? 15.645 22.510 31.144 1.00 38.57 ? 809 ILE A CG2 1 \nATOM 855 C CD1 . ILE A 1 117 ? 16.272 25.545 30.484 1.00 34.81 ? 809 ILE A CD1 1 \nATOM 856 N N . GLY A 1 118 ? 13.852 21.151 33.736 1.00 42.20 ? 810 GLY A N 1 \nATOM 857 C CA . GLY A 1 118 ? 13.925 19.761 34.180 1.00 45.43 ? 810 GLY A CA 1 \nATOM 858 C C . GLY A 1 118 ? 14.296 18.770 33.086 1.00 40.55 ? 810 GLY A C 1 \nATOM 859 O O . GLY A 1 118 ? 14.349 19.116 31.901 1.00 40.46 ? 810 GLY A O 1 \nATOM 860 N N . SER A 1 119 ? 14.534 17.525 33.485 1.00 36.70 ? 811 SER A N 1 \nATOM 861 C CA . SER A 1 119 ? 15.009 16.508 32.567 1.00 39.63 ? 811 SER A CA 1 \nATOM 862 C C . SER A 1 119 ? 14.044 16.236 31.431 1.00 40.65 ? 811 SER A C 1 \nATOM 863 O O . SER A 1 119 ? 14.482 15.944 30.322 1.00 35.55 ? 811 SER A O 1 \nATOM 864 C CB . SER A 1 119 ? 15.310 15.211 33.314 1.00 42.84 ? 811 SER A CB 1 \nATOM 865 O OG . SER A 1 119 ? 14.205 14.860 34.128 1.00 46.09 ? 811 SER A OG 1 \nATOM 866 N N . GLN A 1 120 ? 12.738 16.306 31.721 1.00 36.00 ? 812 GLN A N 1 \nATOM 867 C CA . GLN A 1 120 ? 11.706 16.021 30.737 1.00 37.19 ? 812 GLN A CA 1 \nATOM 868 C C . GLN A 1 120 ? 11.785 16.967 29.549 1.00 36.52 ? 812 GLN A C 1 \nATOM 869 O O . GLN A 1 120 ? 11.662 16.540 28.397 1.00 33.95 ? 812 GLN A O 1 \nATOM 870 C CB . GLN A 1 120 ? 10.313 16.118 31.379 1.00 42.80 ? 812 GLN A CB 1 \nATOM 871 C CG . GLN A 1 120 ? 9.171 15.675 30.473 1.00 41.78 ? 812 GLN A CG 1 \nATOM 872 C CD . GLN A 1 120 ? 9.182 14.179 30.210 1.00 46.95 ? 812 GLN A CD 1 \nATOM 873 O OE1 . GLN A 1 120 ? 8.750 13.390 31.044 1.00 44.42 ? 812 GLN A OE1 1 \nATOM 874 N NE2 . GLN A 1 120 ? 9.675 13.785 29.044 1.00 42.08 ? 812 GLN A NE2 1 \nATOM 875 N N . TYR A 1 121 ? 11.963 18.254 29.832 1.00 32.34 ? 813 TYR A N 1 \nATOM 876 C CA . TYR A 1 121 ? 12.030 19.240 28.771 1.00 32.29 ? 813 TYR A CA 1 \nATOM 877 C C . TYR A 1 121 ? 13.266 19.034 27.908 1.00 31.16 ? 813 TYR A C 1 \nATOM 878 O O . TYR A 1 121 ? 13.163 19.089 26.680 1.00 29.68 ? 813 TYR A O 1 \nATOM 879 C CB . TYR A 1 121 ? 12.024 20.652 29.344 1.00 38.14 ? 813 TYR A CB 1 \nATOM 880 C CG . TYR A 1 121 ? 10.622 21.155 29.638 1.00 51.63 ? 813 TYR A CG 1 \nATOM 881 C CD1 . TYR A 1 121 ? 9.906 21.869 28.679 1.00 54.26 ? 813 TYR A CD1 1 \nATOM 882 C CD2 . TYR A 1 121 ? 10.009 20.895 30.864 1.00 53.00 ? 813 TYR A CD2 1 \nATOM 883 C CE1 . TYR A 1 121 ? 8.622 22.329 28.940 1.00 68.44 ? 813 TYR A CE1 1 \nATOM 884 C CE2 . TYR A 1 121 ? 8.726 21.352 31.135 1.00 63.66 ? 813 TYR A CE2 1 \nATOM 885 C CZ . TYR A 1 121 ? 8.039 22.066 30.169 1.00 71.43 ? 813 TYR A CZ 1 \nATOM 886 O OH . TYR A 1 121 ? 6.767 22.523 30.430 1.00 76.05 ? 813 TYR A OH 1 \nATOM 887 N N . LEU A 1 122 ? 14.420 18.807 28.549 1.00 36.58 ? 814 LEU A N 1 \nATOM 888 C CA . LEU A 1 122 ? 15.674 18.661 27.821 1.00 30.86 ? 814 LEU A CA 1 \nATOM 889 C C . LEU A 1 122 ? 15.637 17.463 26.892 1.00 35.35 ? 814 LEU A C 1 \nATOM 890 O O . LEU A 1 122 ? 16.056 17.551 25.749 1.00 32.61 ? 814 LEU A O 1 \nATOM 891 C CB . LEU A 1 122 ? 16.871 18.486 28.781 1.00 34.36 ? 814 LEU A CB 1 \nATOM 892 C CG . LEU A 1 122 ? 17.315 19.756 29.502 1.00 32.88 ? 814 LEU A CG 1 \nATOM 893 C CD1 . LEU A 1 122 ? 18.045 19.417 30.796 1.00 31.09 ? 814 LEU A CD1 1 \nATOM 894 C CD2 . LEU A 1 122 ? 18.149 20.612 28.556 1.00 31.70 ? 814 LEU A CD2 1 \nATOM 895 N N . LEU A 1 123 ? 15.127 16.340 27.389 1.00 32.49 ? 815 LEU A N 1 \nATOM 896 C CA . LEU A 1 123 ? 15.018 15.148 26.557 1.00 32.42 ? 815 LEU A CA 1 \nATOM 897 C C . LEU A 1 123 ? 13.996 15.297 25.445 1.00 28.76 ? 815 LEU A C 1 \nATOM 898 O O . LEU A 1 123 ? 14.208 14.802 24.337 1.00 26.06 ? 815 LEU A O 1 \nATOM 899 C CB . LEU A 1 123 ? 14.741 13.911 27.415 1.00 29.83 ? 815 LEU A CB 1 \nATOM 900 C CG . LEU A 1 123 ? 15.915 13.501 28.312 1.00 33.92 ? 815 LEU A CG 1 \nATOM 901 C CD1 . LEU A 1 123 ? 15.462 12.483 29.345 1.00 36.17 ? 815 LEU A CD1 1 \nATOM 902 C CD2 . LEU A 1 123 ? 17.080 12.941 27.508 1.00 37.71 ? 815 LEU A CD2 1 \nATOM 903 N N . ASN A 1 124 ? 12.867 15.947 25.736 1.00 30.63 ? 816 ASN A N 1 \nATOM 904 C CA . ASN A 1 124 ? 11.881 16.223 24.681 1.00 31.65 ? 816 ASN A CA 1 \nATOM 905 C C . ASN A 1 124 ? 12.464 17.122 23.582 1.00 28.45 ? 816 ASN A C 1 \nATOM 906 O O . ASN A 1 124 ? 12.242 16.892 22.404 1.00 28.56 ? 816 ASN A O 1 \nATOM 907 C CB . ASN A 1 124 ? 10.589 16.848 25.249 1.00 31.15 ? 816 ASN A CB 1 \nATOM 908 C CG . ASN A 1 124 ? 9.707 15.839 25.984 1.00 41.85 ? 816 ASN A CG 1 \nATOM 909 O OD1 . ASN A 1 124 ? 9.945 14.631 25.965 1.00 44.46 ? 816 ASN A OD1 1 \nATOM 910 N ND2 . ASN A 1 124 ? 8.653 16.349 26.627 1.00 44.28 ? 816 ASN A ND2 1 \nATOM 911 N N . TRP A 1 125 ? 13.245 18.122 23.953 1.00 31.52 ? 817 TRP A N 1 \nATOM 912 C CA . TRP A 1 125 ? 13.885 18.918 22.908 1.00 34.10 ? 817 TRP A CA 1 \nATOM 913 C C . TRP A 1 125 ? 14.764 18.075 21.997 1.00 28.46 ? 817 TRP A C 1 \nATOM 914 O O . TRP A 1 125 ? 14.776 18.295 20.785 1.00 27.78 ? 817 TRP A O 1 \nATOM 915 C CB . TRP A 1 125 ? 14.656 20.106 23.455 1.00 35.22 ? 817 TRP A CB 1 \nATOM 916 C CG . TRP A 1 125 ? 13.763 21.120 24.175 1.00 35.48 ? 817 TRP A CG 1 \nATOM 917 C CD1 . TRP A 1 125 ? 12.435 21.414 23.920 1.00 38.29 ? 817 TRP A CD1 1 \nATOM 918 C CD2 . TRP A 1 125 ? 14.147 21.925 25.286 1.00 33.22 ? 817 TRP A CD2 1 \nATOM 919 N NE1 . TRP A 1 125 ? 11.996 22.373 24.796 1.00 34.21 ? 817 TRP A NE1 1 \nATOM 920 C CE2 . TRP A 1 125 ? 13.019 22.700 25.653 1.00 42.26 ? 817 TRP A CE2 1 \nATOM 921 C CE3 . TRP A 1 125 ? 15.343 22.066 26.017 1.00 35.06 ? 817 TRP A CE3 1 \nATOM 922 C CZ2 . TRP A 1 125 ? 13.048 23.613 26.725 1.00 36.27 ? 817 TRP A CZ2 1 \nATOM 923 C CZ3 . TRP A 1 125 ? 15.376 22.974 27.084 1.00 37.42 ? 817 TRP A CZ3 1 \nATOM 924 C CH2 . TRP A 1 125 ? 14.226 23.738 27.424 1.00 39.45 ? 817 TRP A CH2 1 \nATOM 925 N N . CYS A 1 126 ? 15.495 17.121 22.578 1.00 31.30 ? 818 CYS A N 1 \nATOM 926 C CA . CYS A 1 126 ? 16.398 16.272 21.797 1.00 28.29 ? 818 CYS A CA 1 \nATOM 927 C C . CYS A 1 126 ? 15.629 15.435 20.803 1.00 27.53 ? 818 CYS A C 1 \nATOM 928 O O . CYS A 1 126 ? 16.079 15.239 19.659 1.00 24.60 ? 818 CYS A O 1 \nATOM 929 C CB . CYS A 1 126 ? 17.216 15.373 22.712 1.00 30.70 ? 818 CYS A CB 1 \nATOM 930 S SG . CYS A 1 126 ? 18.371 16.323 23.741 1.00 32.48 ? 818 CYS A SG 1 \nATOM 931 N N . VAL A 1 127 ? 14.447 14.962 21.226 1.00 29.56 ? 819 VAL A N 1 \nATOM 932 C CA . VAL A 1 127 ? 13.585 14.184 20.330 1.00 26.87 ? 819 VAL A CA 1 \nATOM 933 C C . VAL A 1 127 ? 13.133 15.070 19.189 1.00 22.48 ? 819 VAL A C 1 \nATOM 934 O O . VAL A 1 127 ? 13.221 14.688 18.026 1.00 27.83 ? 819 VAL A O 1 \nATOM 935 C CB . VAL A 1 127 ? 12.334 13.601 21.046 1.00 30.60 ? 819 VAL A CB 1 \nATOM 936 C CG1 . VAL A 1 127 ? 11.386 12.992 20.031 1.00 33.23 ? 819 VAL A CG1 1 \nATOM 937 C CG2 . VAL A 1 127 ? 12.751 12.531 22.052 1.00 33.03 ? 819 VAL A CG2 1 \nATOM 938 N N . GLN A 1 128 ? 12.588 16.240 19.538 1.00 25.20 ? 820 GLN A N 1 \nATOM 939 C CA . GLN A 1 128 ? 12.071 17.161 18.544 1.00 24.15 ? 820 GLN A CA 1 \nATOM 940 C C . GLN A 1 128 ? 13.084 17.584 17.506 1.00 28.99 ? 820 GLN A C 1 \nATOM 941 O O . GLN A 1 128 ? 12.771 17.653 16.320 1.00 26.26 ? 820 GLN A O 1 \nATOM 942 C CB . GLN A 1 128 ? 11.485 18.387 19.236 1.00 30.21 ? 820 GLN A CB 1 \nATOM 943 C CG . GLN A 1 128 ? 10.167 18.044 19.948 1.00 29.63 ? 820 GLN A CG 1 \nATOM 944 C CD . GLN A 1 128 ? 9.625 19.192 20.778 1.00 40.17 ? 820 GLN A CD 1 \nATOM 945 O OE1 . GLN A 1 128 ? 10.012 20.344 20.586 1.00 38.95 ? 820 GLN A OE1 1 \nATOM 946 N NE2 . GLN A 1 128 ? 8.715 18.876 21.719 1.00 39.16 ? 820 GLN A NE2 1 \nATOM 947 N N . ILE A 1 129 ? 14.286 17.887 17.970 1.00 26.92 ? 821 ILE A N 1 \nATOM 948 C CA . ILE A 1 129 ? 15.378 18.243 17.044 1.00 27.15 ? 821 ILE A CA 1 \nATOM 949 C C . ILE A 1 129 ? 15.708 17.057 16.121 1.00 21.32 ? 821 ILE A C 1 \nATOM 950 O O . ILE A 1 129 ? 15.835 17.221 14.917 1.00 22.85 ? 821 ILE A O 1 \nATOM 951 C CB . ILE A 1 129 ? 16.633 18.777 17.769 1.00 28.62 ? 821 ILE A CB 1 \nATOM 952 C CG1 . ILE A 1 129 ? 16.328 20.096 18.516 1.00 25.26 ? 821 ILE A CG1 1 \nATOM 953 C CG2 . ILE A 1 129 ? 17.749 18.986 16.749 1.00 24.04 ? 821 ILE A CG2 1 \nATOM 954 C CD1 . ILE A 1 129 ? 17.358 20.475 19.579 1.00 24.33 ? 821 ILE A CD1 1 \nATOM 955 N N . ALA A 1 130 ? 15.776 15.855 16.678 1.00 23.15 ? 822 ALA A N 1 \nATOM 956 C CA . ALA A 1 130 ? 16.024 14.676 15.861 1.00 26.29 ? 822 ALA A CA 1 \nATOM 957 C C . ALA A 1 130 ? 14.870 14.421 14.888 1.00 22.85 ? 822 ALA A C 1 \nATOM 958 O O . ALA A 1 130 ? 15.078 14.004 13.766 1.00 22.39 ? 822 ALA A O 1 \nATOM 959 C CB . ALA A 1 130 ? 16.303 13.459 16.738 1.00 32.12 ? 822 ALA A CB 1 \nATOM 960 N N . LYS A 1 131 ? 13.620 14.706 15.281 1.00 22.94 ? 823 LYS A N 1 \nATOM 961 C CA . LYS A 1 131 ? 12.570 14.518 14.276 1.00 24.82 ? 823 LYS A CA 1 \nATOM 962 C C . LYS A 1 131 ? 12.712 15.503 13.100 1.00 23.26 ? 823 LYS A C 1 \nATOM 963 O O . LYS A 1 131 ? 12.557 15.124 11.928 1.00 26.11 ? 823 LYS A O 1 \nATOM 964 C CB . LYS A 1 131 ? 11.183 14.694 14.927 1.00 22.51 ? 823 LYS A CB 1 \nATOM 965 C CG . LYS A 1 131 ? 10.779 13.603 15.894 1.00 28.59 ? 823 LYS A CG 1 \nATOM 966 C CD . LYS A 1 131 ? 9.395 13.859 16.515 1.00 31.72 ? 823 LYS A CD 1 \nATOM 967 C CE . LYS A 1 131 ? 9.078 12.757 17.512 1.00 37.15 ? 823 LYS A CE 1 \nATOM 968 N NZ . LYS A 1 131 ? 7.670 12.819 18.034 1.00 38.50 ? 823 LYS A NZ 1 \nATOM 969 N N . GLY A 1 132 ? 12.985 16.775 13.391 1.00 25.36 ? 824 GLY A N 1 \nATOM 970 C CA . GLY A 1 132 ? 13.145 17.759 12.309 1.00 29.39 ? 824 GLY A CA 1 \nATOM 971 C C . GLY A 1 132 ? 14.330 17.419 11.403 1.00 26.12 ? 824 GLY A C 1 \nATOM 972 O O . GLY A 1 132 ? 14.287 17.590 10.179 1.00 24.27 ? 824 GLY A O 1 \nATOM 973 N N . MET A 1 133 ? 15.416 16.956 12.009 1.00 27.53 ? 825 MET A N 1 \nATOM 974 C CA . MET A 1 133 ? 16.585 16.546 11.189 1.00 24.74 ? 825 MET A CA 1 \nATOM 975 C C . MET A 1 133 ? 16.271 15.293 10.348 1.00 23.11 ? 825 MET A C 1 \nATOM 976 O O . MET A 1 133 ? 16.627 15.224 9.171 1.00 25.98 ? 825 MET A O 1 \nATOM 977 C CB . MET A 1 133 ? 17.820 16.335 12.068 1.00 26.81 ? 825 MET A CB 1 \nATOM 978 C CG . MET A 1 133 ? 18.301 17.619 12.738 1.00 28.15 ? 825 MET A CG 1 \nATOM 979 S SD . MET A 1 133 ? 18.784 18.939 11.613 1.00 28.88 ? 825 MET A SD 1 \nATOM 980 C CE . MET A 1 133 ? 20.287 18.281 10.877 1.00 27.33 ? 825 MET A CE 1 \nATOM 981 N N . ASN A 1 134 ? 15.517 14.352 10.905 1.00 27.36 ? 826 ASN A N 1 \nATOM 982 C CA . ASN A 1 134 ? 15.105 13.212 10.109 1.00 26.66 ? 826 ASN A CA 1 \nATOM 983 C C . ASN A 1 134 ? 14.194 13.641 8.933 1.00 24.20 ? 826 ASN A C 1 \nATOM 984 O O . ASN A 1 134 ? 14.274 13.071 7.825 1.00 22.04 ? 826 ASN A O 1 \nATOM 985 C CB . ASN A 1 134 ? 14.425 12.149 10.976 1.00 26.04 ? 826 ASN A CB 1 \nATOM 986 C CG . ASN A 1 134 ? 14.052 10.912 10.187 1.00 28.55 ? 826 ASN A CG 1 \nATOM 987 O OD1 . ASN A 1 134 ? 14.915 10.179 9.684 1.00 27.71 ? 826 ASN A OD1 1 \nATOM 988 N ND2 . ASN A 1 134 ? 12.746 10.665 10.078 1.00 31.03 ? 826 ASN A ND2 1 \nATOM 989 N N . TYR A 1 135 ? 13.365 14.662 9.159 1.00 30.63 ? 827 TYR A N 1 \nATOM 990 C CA . TYR A 1 135 ? 12.519 15.203 8.080 1.00 29.94 ? 827 TYR A CA 1 \nATOM 991 C C . TYR A 1 135 ? 13.389 15.835 7.001 1.00 30.42 ? 827 TYR A C 1 \nATOM 992 O O . TYR A 1 135 ? 13.182 15.591 5.813 1.00 26.26 ? 827 TYR A O 1 \nATOM 993 C CB . TYR A 1 135 ? 11.488 16.219 8.608 1.00 27.76 ? 827 TYR A CB 1 \nATOM 994 C CG . TYR A 1 135 ? 10.671 16.810 7.495 1.00 26.46 ? 827 TYR A CG 1 \nATOM 995 C CD1 . TYR A 1 135 ? 9.442 16.223 7.089 1.00 28.24 ? 827 TYR A CD1 1 \nATOM 996 C CD2 . TYR A 1 135 ? 11.074 17.986 6.891 1.00 26.58 ? 827 TYR A CD2 1 \nATOM 997 C CE1 . TYR A 1 135 ? 8.711 16.792 6.051 1.00 24.43 ? 827 TYR A CE1 1 \nATOM 998 C CE2 . TYR A 1 135 ? 10.380 18.533 5.846 1.00 24.77 ? 827 TYR A CE2 1 \nATOM 999 C CZ . TYR A 1 135 ? 9.154 17.955 5.472 1.00 29.96 ? 827 TYR A CZ 1 \nATOM 1000 O OH . TYR A 1 135 ? 8.510 18.524 4.443 1.00 28.47 ? 827 TYR A OH 1 \nATOM 1001 N N . LEU A 1 136 ? 14.400 16.619 7.395 1.00 28.36 ? 828 LEU A N 1 \nATOM 1002 C CA . LEU A 1 136 ? 15.313 17.165 6.391 1.00 30.91 ? 828 LEU A CA 1 \nATOM 1003 C C . LEU A 1 136 ? 16.033 16.056 5.597 1.00 25.76 ? 828 LEU A C 1 \nATOM 1004 O O . LEU A 1 136 ? 16.242 16.188 4.400 1.00 24.44 ? 828 LEU A O 1 \nATOM 1005 C CB . LEU A 1 136 ? 16.298 18.149 7.029 1.00 24.38 ? 828 LEU A CB 1 \nATOM 1006 C CG . LEU A 1 136 ? 15.708 19.448 7.601 1.00 26.71 ? 828 LEU A CG 1 \nATOM 1007 C CD1 . LEU A 1 136 ? 16.776 20.314 8.270 1.00 34.46 ? 828 LEU A CD1 1 \nATOM 1008 C CD2 . LEU A 1 136 ? 15.025 20.236 6.478 1.00 32.58 ? 828 LEU A CD2 1 \nATOM 1009 N N . GLU A 1 137 ? 16.362 14.944 6.253 1.00 26.25 ? 829 GLU A N 1 \nATOM 1010 C CA . GLU A 1 137 ? 17.037 13.848 5.551 1.00 25.11 ? 829 GLU A CA 1 \nATOM 1011 C C . GLU A 1 137 ? 16.085 13.197 4.524 1.00 28.25 ? 829 GLU A C 1 \nATOM 1012 O O . GLU A 1 137 ? 16.466 12.860 3.407 1.00 26.58 ? 829 GLU A O 1 \nATOM 1013 C CB . GLU A 1 137 ? 17.688 12.862 6.540 1.00 24.51 ? 829 GLU A CB 1 \nATOM 1014 C CG . GLU A 1 137 ? 18.425 11.676 5.898 1.00 30.84 ? 829 GLU A CG 1 \nATOM 1015 C CD . GLU A 1 137 ? 19.136 10.739 6.887 1.00 29.05 ? 829 GLU A CD 1 \nATOM 1016 O OE1 . GLU A 1 137 ? 19.042 10.932 8.126 1.00 33.17 ? 829 GLU A OE1 1 \nATOM 1017 O OE2 . GLU A 1 137 ? 19.758 9.762 6.413 1.00 25.79 ? 829 GLU A OE2 1 \nATOM 1018 N N . ASP A 1 138 ? 14.822 13.067 4.895 1.00 28.69 ? 830 ASP A N 1 \nATOM 1019 C CA . ASP A 1 138 ? 13.805 12.642 3.916 1.00 32.95 ? 830 ASP A CA 1 \nATOM 1020 C C . ASP A 1 138 ? 13.687 13.610 2.727 1.00 30.22 ? 830 ASP A C 1 \nATOM 1021 O O . ASP A 1 138 ? 13.474 13.181 1.591 1.00 31.90 ? 830 ASP A O 1 \nATOM 1022 C CB . ASP A 1 138 ? 12.453 12.404 4.600 1.00 30.71 ? 830 ASP A CB 1 \nATOM 1023 C CG . ASP A 1 138 ? 12.429 11.120 5.445 1.00 33.56 ? 830 ASP A CG 1 \nATOM 1024 O OD1 . ASP A 1 138 ? 11.726 11.097 6.469 1.00 33.94 ? 830 ASP A OD1 1 \nATOM 1025 O OD2 . ASP A 1 138 ? 13.131 10.142 5.116 1.00 34.53 ? 830 ASP A OD2 1 \nATOM 1026 N N . ARG A 1 139 ? 13.844 14.905 2.985 1.00 24.69 ? 831 ARG A N 1 \nATOM 1027 C CA . ARG A 1 139 ? 13.849 15.901 1.922 1.00 27.76 ? 831 ARG A CA 1 \nATOM 1028 C C . ARG A 1 139 ? 15.213 15.968 1.207 1.00 30.75 ? 831 ARG A C 1 \nATOM 1029 O O . ARG A 1 139 ? 15.390 16.755 0.314 1.00 33.68 ? 831 ARG A O 1 \nATOM 1030 C CB . ARG A 1 139 ? 13.443 17.294 2.460 1.00 31.23 ? 831 ARG A CB 1 \nATOM 1031 C CG . ARG A 1 139 ? 11.941 17.456 2.717 1.00 48.98 ? 831 ARG A CG 1 \nATOM 1032 C CD . ARG A 1 139 ? 11.132 17.048 1.486 1.00 54.64 ? 831 ARG A CD 1 \nATOM 1033 N NE . ARG A 1 139 ? 9.727 17.486 1.420 1.00 61.13 ? 831 ARG A NE 1 \nATOM 1034 C CZ . ARG A 1 139 ? 9.329 18.755 1.320 1.00 57.98 ? 831 ARG A CZ 1 \nATOM 1035 N NH1 . ARG A 1 139 ? 8.030 19.054 1.222 1.00 43.34 ? 831 ARG A NH1 1 \nATOM 1036 N NH2 . ARG A 1 139 ? 10.224 19.734 1.332 1.00 75.24 ? 831 ARG A NH2 1 \nATOM 1037 N N . ARG A 1 140 ? 16.169 15.134 1.608 1.00 32.01 ? 832 ARG A N 1 \nATOM 1038 C CA . ARG A 1 140 ? 17.523 15.181 0.987 1.00 25.88 ? 832 ARG A CA 1 \nATOM 1039 C C . ARG A 1 140 ? 18.165 16.581 1.055 1.00 26.82 ? 832 ARG A C 1 \nATOM 1040 O O . ARG A 1 140 ? 18.870 17.014 0.144 1.00 39.99 ? 832 ARG A O 1 \nATOM 1041 C CB . ARG A 1 140 ? 17.481 14.595 -0.449 1.00 26.75 ? 832 ARG A CB 1 \nATOM 1042 C CG . ARG A 1 140 ? 16.852 13.203 -0.493 1.00 38.69 ? 832 ARG A CG 1 \nATOM 1043 C CD . ARG A 1 140 ? 16.749 12.615 -1.901 1.00 44.66 ? 832 ARG A CD 1 \nATOM 1044 N NE . ARG A 1 140 ? 18.060 12.375 -2.490 1.00 43.81 ? 832 ARG A NE 1 \nATOM 1045 C CZ . ARG A 1 140 ? 18.292 12.142 -3.782 1.00 59.18 ? 832 ARG A CZ 1 \nATOM 1046 N NH1 . ARG A 1 140 ? 19.539 11.932 -4.198 1.00 65.97 ? 832 ARG A NH1 1 \nATOM 1047 N NH2 . ARG A 1 140 ? 17.295 12.120 -4.663 1.00 52.24 ? 832 ARG A NH2 1 \nATOM 1048 N N . LEU A 1 141 ? 17.972 17.251 2.186 1.00 27.81 ? 833 LEU A N 1 \nATOM 1049 C CA . LEU A 1 141 ? 18.510 18.577 2.418 1.00 34.21 ? 833 LEU A CA 1 \nATOM 1050 C C . LEU A 1 141 ? 19.449 18.523 3.624 1.00 34.74 ? 833 LEU A C 1 \nATOM 1051 O O . LEU A 1 141 ? 18.999 18.429 4.771 1.00 30.53 ? 833 LEU A O 1 \nATOM 1052 C CB . LEU A 1 141 ? 17.364 19.579 2.657 1.00 34.42 ? 833 LEU A CB 1 \nATOM 1053 C CG . LEU A 1 141 ? 17.613 21.095 2.539 1.00 38.35 ? 833 LEU A CG 1 \nATOM 1054 C CD1 . LEU A 1 141 ? 16.355 21.860 2.907 1.00 47.96 ? 833 LEU A CD1 1 \nATOM 1055 C CD2 . LEU A 1 141 ? 18.768 21.594 3.393 1.00 52.23 ? 833 LEU A CD2 1 \nATOM 1056 N N . VAL A 1 142 ? 20.755 18.551 3.363 1.00 26.72 ? 834 VAL A N 1 \nATOM 1057 C CA . VAL A 1 142 ? 21.728 18.644 4.437 1.00 25.51 ? 834 VAL A CA 1 \nATOM 1058 C C . VAL A 1 142 ? 21.700 20.057 5.048 1.00 23.33 ? 834 VAL A C 1 \nATOM 1059 O O . VAL A 1 142 ? 21.694 21.057 4.313 1.00 28.02 ? 834 VAL A O 1 \nATOM 1060 C CB . VAL A 1 142 ? 23.156 18.309 3.917 1.00 25.87 ? 834 VAL A CB 1 \nATOM 1061 C CG1 . VAL A 1 142 ? 24.100 18.192 5.115 1.00 23.90 ? 834 VAL A CG1 1 \nATOM 1062 C CG2 . VAL A 1 142 ? 23.119 16.992 3.141 1.00 28.31 ? 834 VAL A CG2 1 \nATOM 1063 N N . HIS A 1 143 ? 21.660 20.124 6.381 1.00 24.32 ? 835 HIS A N 1 \nATOM 1064 C CA . HIS A 1 143 ? 21.506 21.383 7.113 1.00 23.28 ? 835 HIS A CA 1 \nATOM 1065 C C . HIS A 1 143 ? 22.785 22.162 6.940 1.00 27.03 ? 835 HIS A C 1 \nATOM 1066 O O . HIS A 1 143 ? 22.813 23.290 6.411 1.00 26.76 ? 835 HIS A O 1 \nATOM 1067 C CB . HIS A 1 143 ? 21.277 21.097 8.607 1.00 22.96 ? 835 HIS A CB 1 \nATOM 1068 C CG . HIS A 1 143 ? 20.801 22.288 9.388 1.00 25.87 ? 835 HIS A CG 1 \nATOM 1069 N ND1 . HIS A 1 143 ? 21.552 23.426 9.550 1.00 25.72 ? 835 HIS A ND1 1 \nATOM 1070 C CD2 . HIS A 1 143 ? 19.625 22.522 10.030 1.00 29.70 ? 835 HIS A CD2 1 \nATOM 1071 C CE1 . HIS A 1 143 ? 20.875 24.313 10.264 1.00 26.78 ? 835 HIS A CE1 1 \nATOM 1072 N NE2 . HIS A 1 143 ? 19.701 23.783 10.576 1.00 27.19 ? 835 HIS A NE2 1 \nATOM 1073 N N . ARG A 1 144 ? 23.853 21.527 7.386 1.00 25.53 ? 836 ARG A N 1 \nATOM 1074 C CA . ARG A 1 144 ? 25.221 22.123 7.370 1.00 24.68 ? 836 ARG A CA 1 \nATOM 1075 C C . ARG A 1 144 ? 25.537 23.182 8.437 1.00 30.73 ? 836 ARG A C 1 \nATOM 1076 O O . ARG A 1 144 ? 26.695 23.623 8.533 1.00 31.37 ? 836 ARG A O 1 \nATOM 1077 C CB . ARG A 1 144 ? 25.601 22.653 5.966 1.00 29.95 ? 836 ARG A CB 1 \nATOM 1078 C CG . ARG A 1 144 ? 25.531 21.613 4.858 1.00 29.36 ? 836 ARG A CG 1 \nATOM 1079 C CD . ARG A 1 144 ? 25.842 22.225 3.503 1.00 35.72 ? 836 ARG A CD 1 \nATOM 1080 N NE . ARG A 1 144 ? 25.737 21.236 2.426 1.00 35.96 ? 836 ARG A NE 1 \nATOM 1081 C CZ . ARG A 1 144 ? 24.613 20.915 1.795 1.00 42.66 ? 836 ARG A CZ 1 \nATOM 1082 N NH1 . ARG A 1 144 ? 23.454 21.500 2.119 1.00 43.85 ? 836 ARG A NH1 1 \nATOM 1083 N NH2 . ARG A 1 144 ? 24.655 20.006 0.825 1.00 45.95 ? 836 ARG A NH2 1 \nATOM 1084 N N . ASP A 1 145 ? 24.564 23.573 9.252 1.00 28.01 ? 837 ASP A N 1 \nATOM 1085 C CA . ASP A 1 145 ? 24.814 24.539 10.330 1.00 30.26 ? 837 ASP A CA 1 \nATOM 1086 C C . ASP A 1 145 ? 23.893 24.288 11.553 1.00 24.80 ? 837 ASP A C 1 \nATOM 1087 O O . ASP A 1 145 ? 23.436 25.220 12.215 1.00 27.76 ? 837 ASP A O 1 \nATOM 1088 C CB . ASP A 1 145 ? 24.667 25.972 9.766 1.00 35.19 ? 837 ASP A CB 1 \nATOM 1089 C CG . ASP A 1 145 ? 25.123 27.070 10.730 1.00 39.72 ? 837 ASP A CG 1 \nATOM 1090 O OD1 . ASP A 1 145 ? 24.630 28.217 10.587 1.00 39.41 ? 837 ASP A OD1 1 \nATOM 1091 O OD2 . ASP A 1 145 ? 25.968 26.824 11.608 1.00 39.11 ? 837 ASP A OD2 1 \nATOM 1092 N N . LEU A 1 146 ? 23.664 23.019 11.894 1.00 22.90 ? 838 LEU A N 1 \nATOM 1093 C CA . LEU A 1 146 ? 22.936 22.738 13.109 1.00 26.01 ? 838 LEU A CA 1 \nATOM 1094 C C . LEU A 1 146 ? 23.734 23.109 14.359 1.00 31.57 ? 838 LEU A C 1 \nATOM 1095 O O . LEU A 1 146 ? 24.933 22.815 14.484 1.00 23.80 ? 838 LEU A O 1 \nATOM 1096 C CB . LEU A 1 146 ? 22.428 21.289 13.139 1.00 23.02 ? 838 LEU A CB 1 \nATOM 1097 C CG . LEU A 1 146 ? 21.594 20.979 14.380 1.00 21.58 ? 838 LEU A CG 1 \nATOM 1098 C CD1 . LEU A 1 146 ? 20.220 21.710 14.325 1.00 23.98 ? 838 LEU A CD1 1 \nATOM 1099 C CD2 . LEU A 1 146 ? 21.381 19.486 14.377 1.00 26.15 ? 838 LEU A CD2 1 \nATOM 1100 N N . ALA A 1 147 ? 23.056 23.809 15.260 1.00 25.46 ? 839 ALA A N 1 \nATOM 1101 C CA . ALA A 1 147 ? 23.624 24.344 16.489 1.00 26.75 ? 839 ALA A CA 1 \nATOM 1102 C C . ALA A 1 147 ? 22.450 24.802 17.349 1.00 26.96 ? 839 ALA A C 1 \nATOM 1103 O O . ALA A 1 147 ? 21.368 25.075 16.818 1.00 27.56 ? 839 ALA A O 1 \nATOM 1104 C CB . ALA A 1 147 ? 24.560 25.503 16.172 1.00 26.89 ? 839 ALA A CB 1 \nATOM 1105 N N . ALA A 1 148 ? 22.647 24.874 18.660 1.00 25.41 ? 840 ALA A N 1 \nATOM 1106 C CA . ALA A 1 148 ? 21.586 25.344 19.568 1.00 28.19 ? 840 ALA A CA 1 \nATOM 1107 C C . ALA A 1 148 ? 21.088 26.729 19.178 1.00 32.62 ? 840 ALA A C 1 \nATOM 1108 O O . ALA A 1 148 ? 19.888 27.022 19.337 1.00 26.09 ? 840 ALA A O 1 \nATOM 1109 C CB . ALA A 1 148 ? 22.036 25.315 21.015 1.00 31.55 ? 840 ALA A CB 1 \nATOM 1110 N N . ARG A 1 149 ? 21.988 27.573 18.667 1.00 26.53 ? 841 ARG A N 1 \nATOM 1111 C CA . ARG A 1 149 ? 21.564 28.878 18.116 1.00 33.68 ? 841 ARG A CA 1 \nATOM 1112 C C . ARG A 1 149 ? 20.540 28.815 16.971 1.00 29.87 ? 841 ARG A C 1 \nATOM 1113 O O . ARG A 1 149 ? 19.785 29.780 16.780 1.00 30.30 ? 841 ARG A O 1 \nATOM 1114 C CB . ARG A 1 149 ? 22.764 29.723 17.692 1.00 28.34 ? 841 ARG A CB 1 \nATOM 1115 C CG . ARG A 1 149 ? 23.404 29.295 16.373 1.00 26.85 ? 841 ARG A CG 1 \nATOM 1116 C CD . ARG A 1 149 ? 24.776 29.947 16.162 1.00 29.53 ? 841 ARG A CD 1 \nATOM 1117 N NE . ARG A 1 149 ? 25.422 29.243 15.073 1.00 31.29 ? 841 ARG A NE 1 \nATOM 1118 C CZ . ARG A 1 149 ? 26.341 28.302 15.254 1.00 39.55 ? 841 ARG A CZ 1 \nATOM 1119 N NH1 . ARG A 1 149 ? 26.771 28.031 16.482 1.00 34.98 ? 841 ARG A NH1 1 \nATOM 1120 N NH2 . ARG A 1 149 ? 26.851 27.654 14.208 1.00 34.16 ? 841 ARG A NH2 1 \nATOM 1121 N N . ASN A 1 150 ? 20.510 27.690 16.239 1.00 27.08 ? 842 ASN A N 1 \nATOM 1122 C CA . ASN A 1 150 ? 19.637 27.487 15.083 1.00 30.03 ? 842 ASN A CA 1 \nATOM 1123 C C . ASN A 1 150 ? 18.422 26.601 15.370 1.00 24.67 ? 842 ASN A C 1 \nATOM 1124 O O . ASN A 1 150 ? 17.845 25.978 14.469 1.00 27.99 ? 842 ASN A O 1 \nATOM 1125 C CB . ASN A 1 150 ? 20.435 27.010 13.873 1.00 29.06 ? 842 ASN A CB 1 \nATOM 1126 C CG . ASN A 1 150 ? 21.262 28.134 13.254 1.00 37.72 ? 842 ASN A CG 1 \nATOM 1127 O OD1 . ASN A 1 150 ? 20.864 29.305 13.306 1.00 30.50 ? 842 ASN A OD1 1 \nATOM 1128 N ND2 . ASN A 1 150 ? 22.422 27.794 12.679 1.00 29.81 ? 842 ASN A ND2 1 \nATOM 1129 N N . VAL A 1 151 ? 18.136 26.486 16.658 1.00 23.76 ? 843 VAL A N 1 \nATOM 1130 C CA . VAL A 1 151 ? 16.903 25.867 17.159 1.00 30.91 ? 843 VAL A CA 1 \nATOM 1131 C C . VAL A 1 151 ? 16.114 26.985 17.836 1.00 31.47 ? 843 VAL A C 1 \nATOM 1132 O O . VAL A 1 151 ? 16.638 27.662 18.721 1.00 31.89 ? 843 VAL A O 1 \nATOM 1133 C CB . VAL A 1 151 ? 17.212 24.725 18.140 1.00 27.97 ? 843 VAL A CB 1 \nATOM 1134 C CG1 . VAL A 1 151 ? 15.915 24.065 18.619 1.00 27.30 ? 843 VAL A CG1 1 \nATOM 1135 C CG2 . VAL A 1 151 ? 18.140 23.693 17.466 1.00 24.18 ? 843 VAL A CG2 1 \nATOM 1136 N N . LEU A 1 152 ? 14.852 27.149 17.445 1.00 31.01 ? 844 LEU A N 1 \nATOM 1137 C CA . LEU A 1 152 ? 14.016 28.272 17.951 1.00 28.78 ? 844 LEU A CA 1 \nATOM 1138 C C . LEU A 1 152 ? 12.878 27.747 18.798 1.00 31.95 ? 844 LEU A C 1 \nATOM 1139 O O . LEU A 1 152 ? 12.356 26.667 18.531 1.00 29.93 ? 844 LEU A O 1 \nATOM 1140 C CB . LEU A 1 152 ? 13.463 29.114 16.782 1.00 31.04 ? 844 LEU A CB 1 \nATOM 1141 C CG . LEU A 1 152 ? 14.521 29.764 15.877 1.00 31.25 ? 844 LEU A CG 1 \nATOM 1142 C CD1 . LEU A 1 152 ? 13.961 30.700 14.816 1.00 33.04 ? 844 LEU A CD1 1 \nATOM 1143 C CD2 . LEU A 1 152 ? 15.550 30.506 16.706 1.00 35.54 ? 844 LEU A CD2 1 \nATOM 1144 N N . VAL A 1 153 ? 12.508 28.516 19.819 1.00 33.45 ? 845 VAL A N 1 \nATOM 1145 C CA . VAL A 1 153 ? 11.410 28.169 20.722 1.00 37.40 ? 845 VAL A CA 1 \nATOM 1146 C C . VAL A 1 153 ? 10.050 28.660 20.197 1.00 39.79 ? 845 VAL A C 1 \nATOM 1147 O O . VAL A 1 153 ? 9.791 29.864 20.151 1.00 40.55 ? 845 VAL A O 1 \nATOM 1148 C CB . VAL A 1 153 ? 11.706 28.704 22.144 1.00 37.90 ? 845 VAL A CB 1 \nATOM 1149 C CG1 . VAL A 1 153 ? 10.598 28.332 23.123 1.00 34.42 ? 845 VAL A CG1 1 \nATOM 1150 C CG2 . VAL A 1 153 ? 13.046 28.162 22.639 1.00 34.23 ? 845 VAL A CG2 1 \nATOM 1151 N N . LYS A 1 154 ? 9.193 27.725 19.786 1.00 36.10 ? 846 LYS A N 1 \nATOM 1152 C CA . LYS A 1 154 ? 7.792 28.043 19.467 1.00 43.58 ? 846 LYS A CA 1 \nATOM 1153 C C . LYS A 1 154 ? 7.040 28.141 20.792 1.00 38.19 ? 846 LYS A C 1 \nATOM 1154 O O . LYS A 1 154 ? 6.412 29.158 21.072 1.00 44.16 ? 846 LYS A O 1 \nATOM 1155 C CB . LYS A 1 154 ? 7.146 27.007 18.536 1.00 37.43 ? 846 LYS A CB 1 \nATOM 1156 C CG . LYS A 1 154 ? 5.735 27.380 18.068 1.00 51.46 ? 846 LYS A CG 1 \nATOM 1157 C CD . LYS A 1 154 ? 5.003 26.147 17.561 1.00 57.04 ? 846 LYS A CD 1 \nATOM 1158 C CE . LYS A 1 154 ? 4.089 26.461 16.386 1.00 75.97 ? 846 LYS A CE 1 \nATOM 1159 N NZ . LYS A 1 154 ? 2.821 27.114 16.809 1.00 61.01 ? 846 LYS A NZ 1 \nATOM 1160 N N . THR A 1 155 ? 7.130 27.085 21.599 1.00 36.95 ? 847 THR A N 1 \nATOM 1161 C CA . THR A 1 155 ? 6.734 27.118 23.010 1.00 39.96 ? 847 THR A CA 1 \nATOM 1162 C C . THR A 1 155 ? 7.791 26.344 23.785 1.00 49.25 ? 847 THR A C 1 \nATOM 1163 O O . THR A 1 155 ? 8.513 25.553 23.189 1.00 46.91 ? 847 THR A O 1 \nATOM 1164 C CB . THR A 1 155 ? 5.344 26.477 23.270 1.00 42.03 ? 847 THR A CB 1 \nATOM 1165 O OG1 . THR A 1 155 ? 5.416 25.049 23.139 1.00 40.28 ? 847 THR A OG1 1 \nATOM 1166 C CG2 . THR A 1 155 ? 4.263 27.039 22.331 1.00 47.29 ? 847 THR A CG2 1 \nATOM 1167 N N . PRO A 1 156 ? 7.901 26.572 25.111 1.00 47.74 ? 848 PRO A N 1 \nATOM 1168 C CA . PRO A 1 156 ? 8.844 25.778 25.902 1.00 44.52 ? 848 PRO A CA 1 \nATOM 1169 C C . PRO A 1 156 ? 8.762 24.277 25.619 1.00 44.91 ? 848 PRO A C 1 \nATOM 1170 O O . PRO A 1 156 ? 9.757 23.575 25.766 1.00 45.92 ? 848 PRO A O 1 \nATOM 1171 C CB . PRO A 1 156 ? 8.410 26.061 27.339 1.00 47.17 ? 848 PRO A CB 1 \nATOM 1172 C CG . PRO A 1 156 ? 7.836 27.433 27.296 1.00 54.20 ? 848 PRO A CG 1 \nATOM 1173 C CD . PRO A 1 156 ? 7.324 27.679 25.899 1.00 53.60 ? 848 PRO A CD 1 \nATOM 1174 N N . GLN A 1 157 ? 7.596 23.779 25.211 1.00 43.27 ? 849 GLN A N 1 \nATOM 1175 C CA . GLN A 1 157 ? 7.475 22.347 24.901 1.00 42.19 ? 849 GLN A CA 1 \nATOM 1176 C C . GLN A 1 157 ? 7.481 22.009 23.389 1.00 42.64 ? 849 GLN A C 1 \nATOM 1177 O O . GLN A 1 157 ? 7.190 20.866 23.001 1.00 45.37 ? 849 GLN A O 1 \nATOM 1178 C CB . GLN A 1 157 ? 6.267 21.718 25.627 1.00 58.29 ? 849 GLN A CB 1 \nATOM 1179 C CG . GLN A 1 157 ? 4.961 22.504 25.555 1.00 66.43 ? 849 GLN A CG 1 \nATOM 1180 C CD . GLN A 1 157 ? 4.884 23.642 26.570 1.00 62.36 ? 849 GLN A CD 1 \nATOM 1181 O OE1 . GLN A 1 157 ? 4.609 24.782 26.211 1.00 63.71 ? 849 GLN A OE1 1 \nATOM 1182 N NE2 . GLN A 1 157 ? 5.141 23.334 27.838 1.00 63.07 ? 849 GLN A NE2 1 \nATOM 1183 N N . HIS A 1 158 ? 7.806 22.998 22.549 1.00 43.34 ? 850 HIS A N 1 \nATOM 1184 C CA . HIS A 1 158 ? 7.827 22.837 21.080 1.00 36.09 ? 850 HIS A CA 1 \nATOM 1185 C C . HIS A 1 158 ? 8.939 23.707 20.451 1.00 35.72 ? 850 HIS A C 1 \nATOM 1186 O O . HIS A 1 158 ? 8.834 24.935 20.398 1.00 38.30 ? 850 HIS A O 1 \nATOM 1187 C CB . HIS A 1 158 ? 6.465 23.232 20.495 1.00 47.52 ? 850 HIS A CB 1 \nATOM 1188 C CG . HIS A 1 158 ? 6.285 22.897 19.044 1.00 56.05 ? 850 HIS A CG 1 \nATOM 1189 N ND1 . HIS A 1 158 ? 5.061 22.545 18.513 1.00 67.56 ? 850 HIS A ND1 1 \nATOM 1190 C CD2 . HIS A 1 158 ? 7.165 22.862 18.013 1.00 46.60 ? 850 HIS A CD2 1 \nATOM 1191 C CE1 . HIS A 1 158 ? 5.195 22.314 17.219 1.00 61.32 ? 850 HIS A CE1 1 \nATOM 1192 N NE2 . HIS A 1 158 ? 6.461 22.497 16.891 1.00 50.10 ? 850 HIS A NE2 1 \nATOM 1193 N N . VAL A 1 159 ? 9.997 23.065 19.957 1.00 30.62 ? 851 VAL A N 1 \nATOM 1194 C CA . VAL A 1 159 ? 11.119 23.801 19.316 1.00 27.66 ? 851 VAL A CA 1 \nATOM 1195 C C . VAL A 1 159 ? 11.258 23.414 17.837 1.00 29.34 ? 851 VAL A C 1 \nATOM 1196 O O . VAL A 1 159 ? 10.790 22.339 17.409 1.00 37.31 ? 851 VAL A O 1 \nATOM 1197 C CB . VAL A 1 159 ? 12.459 23.615 20.093 1.00 27.08 ? 851 VAL A CB 1 \nATOM 1198 C CG1 . VAL A 1 159 ? 12.320 24.093 21.527 1.00 28.71 ? 851 VAL A CG1 1 \nATOM 1199 C CG2 . VAL A 1 159 ? 12.917 22.166 20.074 1.00 29.61 ? 851 VAL A CG2 1 \nATOM 1200 N N . LYS A 1 160 ? 11.848 24.295 17.049 1.00 25.66 ? 852 LYS A N 1 \nATOM 1201 C CA . LYS A 1 160 ? 11.927 24.130 15.593 1.00 29.99 ? 852 LYS A CA 1 \nATOM 1202 C C . LYS A 1 160 ? 13.322 24.502 15.084 1.00 31.41 ? 852 LYS A C 1 \nATOM 1203 O O . LYS A 1 160 ? 13.919 25.461 15.577 1.00 32.82 ? 852 LYS A O 1 \nATOM 1204 C CB . LYS A 1 160 ? 10.930 25.045 14.883 1.00 29.63 ? 852 LYS A CB 1 \nATOM 1205 C CG . LYS A 1 160 ? 9.481 24.848 15.301 1.00 35.70 ? 852 LYS A CG 1 \nATOM 1206 C CD . LYS A 1 160 ? 8.547 25.799 14.559 1.00 39.50 ? 852 LYS A CD 1 \nATOM 1207 C CE . LYS A 1 160 ? 8.240 25.299 13.156 1.00 45.39 ? 852 LYS A CE 1 \nATOM 1208 N NZ . LYS A 1 160 ? 7.134 26.073 12.523 1.00 54.24 ? 852 LYS A NZ 1 \nATOM 1209 N N . ILE A 1 161 ? 13.787 23.781 14.065 1.00 27.56 ? 853 ILE A N 1 \nATOM 1210 C CA . ILE A 1 161 ? 15.114 24.014 13.466 1.00 30.12 ? 853 ILE A CA 1 \nATOM 1211 C C . ILE A 1 161 ? 15.005 25.045 12.339 1.00 31.59 ? 853 ILE A C 1 \nATOM 1212 O O . ILE A 1 161 ? 14.017 25.067 11.596 1.00 31.70 ? 853 ILE A O 1 \nATOM 1213 C CB . ILE A 1 161 ? 15.695 22.700 12.885 1.00 25.76 ? 853 ILE A CB 1 \nATOM 1214 C CG1 . ILE A 1 161 ? 15.805 21.647 13.983 1.00 26.76 ? 853 ILE A CG1 1 \nATOM 1215 C CG2 . ILE A 1 161 ? 17.031 22.964 12.191 1.00 32.39 ? 853 ILE A CG2 1 \nATOM 1216 C CD1 . ILE A 1 161 ? 15.788 20.251 13.420 1.00 36.59 ? 853 ILE A CD1 1 \nATOM 1217 N N . THR A 1 162 ? 16.008 25.909 12.237 1.00 25.25 ? 854 THR A N 1 \nATOM 1218 C CA . THR A 1 162 ? 16.073 26.896 11.179 1.00 27.24 ? 854 THR A CA 1 \nATOM 1219 C C . THR A 1 162 ? 17.503 26.936 10.582 1.00 28.06 ? 854 THR A C 1 \nATOM 1220 O O . THR A 1 162 ? 18.380 26.227 11.069 1.00 31.74 ? 854 THR A O 1 \nATOM 1221 C CB . THR A 1 162 ? 15.656 28.302 11.705 1.00 24.66 ? 854 THR A CB 1 \nATOM 1222 O OG1 . THR A 1 162 ? 15.473 29.166 10.579 1.00 25.50 ? 854 THR A OG1 1 \nATOM 1223 C CG2 . THR A 1 162 ? 16.714 28.916 12.649 1.00 28.04 ? 854 THR A CG2 1 \nATOM 1224 N N . ASP A 1 163 ? 17.692 27.727 9.517 1.00 26.22 ? 855 ASP A N 1 \nATOM 1225 C CA . ASP A 1 163 ? 19.025 28.078 8.949 1.00 33.58 ? 855 ASP A CA 1 \nATOM 1226 C C . ASP A 1 163 ? 19.662 26.928 8.139 1.00 27.70 ? 855 ASP A C 1 \nATOM 1227 O O . ASP A 1 163 ? 20.866 26.952 7.856 1.00 41.67 ? 855 ASP A O 1 \nATOM 1228 C CB . ASP A 1 163 ? 19.977 28.578 10.059 1.00 34.40 ? 855 ASP A CB 1 \nATOM 1229 C CG . ASP A 1 163 ? 20.915 29.702 9.592 1.00 43.40 ? 855 ASP A CG 1 \nATOM 1230 O OD1 . ASP A 1 163 ? 20.500 30.546 8.761 1.00 40.77 ? 855 ASP A OD1 1 \nATOM 1231 O OD2 . ASP A 1 163 ? 22.072 29.765 10.083 1.00 42.67 ? 855 ASP A OD2 1 \nATOM 1232 N N . PHE A 1 164 ? 18.848 25.931 7.775 1.00 31.84 ? 856 PHE A N 1 \nATOM 1233 C CA . PHE A 1 164 ? 19.295 24.768 6.988 1.00 27.77 ? 856 PHE A CA 1 \nATOM 1234 C C . PHE A 1 164 ? 19.514 25.134 5.526 1.00 38.25 ? 856 PHE A C 1 \nATOM 1235 O O . PHE A 1 164 ? 18.707 25.862 4.918 1.00 35.00 ? 856 PHE A O 1 \nATOM 1236 C CB . PHE A 1 164 ? 18.299 23.609 7.116 1.00 31.72 ? 856 PHE A CB 1 \nATOM 1237 C CG . PHE A 1 164 ? 16.859 24.013 6.902 1.00 37.42 ? 856 PHE A CG 1 \nATOM 1238 C CD1 . PHE A 1 164 ? 16.058 24.398 7.982 1.00 39.39 ? 856 PHE A CD1 1 \nATOM 1239 C CD2 . PHE A 1 164 ? 16.313 24.012 5.628 1.00 35.12 ? 856 PHE A CD2 1 \nATOM 1240 C CE1 . PHE A 1 164 ? 14.722 24.772 7.786 1.00 33.38 ? 856 PHE A CE1 1 \nATOM 1241 C CE2 . PHE A 1 164 ? 14.977 24.374 5.431 1.00 41.41 ? 856 PHE A CE2 1 \nATOM 1242 C CZ . PHE A 1 164 ? 14.198 24.755 6.510 1.00 31.08 ? 856 PHE A CZ 1 \nATOM 1243 N N . GLY A 1 165 ? 20.622 24.655 4.960 1.00 31.90 ? 857 GLY A N 1 \nATOM 1244 C CA . GLY A 1 165 ? 20.859 24.804 3.519 1.00 31.25 ? 857 GLY A CA 1 \nATOM 1245 C C . GLY A 1 165 ? 21.491 26.110 3.089 1.00 35.22 ? 857 GLY A C 1 \nATOM 1246 O O . GLY A 1 165 ? 21.668 26.359 1.897 1.00 36.36 ? 857 GLY A O 1 \nATOM 1247 N N . LEU A 1 166 ? 21.834 26.959 4.051 1.00 36.41 ? 858 LEU A N 1 \nATOM 1248 C CA . LEU A 1 166 ? 22.374 28.251 3.733 1.00 33.90 ? 858 LEU A CA 1 \nATOM 1249 C C . LEU A 1 166 ? 23.850 28.082 3.359 1.00 36.55 ? 858 LEU A C 1 \nATOM 1250 O O . LEU A 1 166 ? 24.343 28.746 2.449 1.00 35.70 ? 858 LEU A O 1 \nATOM 1251 C CB . LEU A 1 166 ? 22.223 29.193 4.931 1.00 41.10 ? 858 LEU A CB 1 \nATOM 1252 C CG . LEU A 1 166 ? 22.171 30.700 4.704 1.00 43.83 ? 858 LEU A CG 1 \nATOM 1253 C CD1 . LEU A 1 166 ? 21.064 31.083 3.723 1.00 46.99 ? 858 LEU A CD1 1 \nATOM 1254 C CD2 . LEU A 1 166 ? 21.948 31.375 6.046 1.00 35.64 ? 858 LEU A CD2 1 \nATOM 1255 N N . ALA A 1 167 ? 24.532 27.169 4.052 1.00 35.60 ? 859 ALA A N 1 \nATOM 1256 C CA . ALA A 1 167 ? 25.942 26.925 3.767 1.00 37.84 ? 859 ALA A CA 1 \nATOM 1257 C C . ALA A 1 167 ? 26.099 26.444 2.330 1.00 40.12 ? 859 ALA A C 1 \nATOM 1258 O O . ALA A 1 167 ? 27.072 26.801 1.659 1.00 37.50 ? 859 ALA A O 1 \nATOM 1259 C CB . ALA A 1 167 ? 26.545 25.930 4.746 1.00 34.95 ? 859 ALA A CB 1 \nATOM 1260 N N . LYS A 1 168 ? 25.133 25.648 1.851 1.00 35.37 ? 860 LYS A N 1 \nATOM 1261 C CA . LYS A 1 168 ? 25.130 25.217 0.457 1.00 40.64 ? 860 LYS A CA 1 \nATOM 1262 C C . LYS A 1 168 ? 24.865 26.396 -0.464 1.00 37.43 ? 860 LYS A C 1 \nATOM 1263 O O . LYS A 1 168 ? 25.539 26.565 -1.475 1.00 43.25 ? 860 LYS A O 1 \nATOM 1264 C CB . LYS A 1 168 ? 24.093 24.118 0.194 1.00 47.18 ? 860 LYS A CB 1 \nATOM 1265 C CG . LYS A 1 168 ? 23.823 23.875 -1.292 1.00 52.81 ? 860 LYS A CG 1 \nATOM 1266 C CD . LYS A 1 168 ? 23.407 22.442 -1.573 1.00 54.14 ? 860 LYS A CD 1 \nATOM 1267 C CE . LYS A 1 168 ? 23.585 22.101 -3.044 1.00 65.94 ? 860 LYS A CE 1 \nATOM 1268 N NZ . LYS A 1 168 ? 23.618 20.628 -3.255 1.00 73.01 ? 860 LYS A NZ 1 \nATOM 1269 N N . LEU A 1 169 ? 23.869 27.198 -0.120 1.00 35.22 ? 861 LEU A N 1 \nATOM 1270 C CA . LEU A 1 169 ? 23.469 28.302 -0.989 1.00 42.52 ? 861 LEU A CA 1 \nATOM 1271 C C . LEU A 1 169 ? 24.635 29.262 -1.217 1.00 43.31 ? 861 LEU A C 1 \nATOM 1272 O O . LEU A 1 169 ? 24.785 29.824 -2.307 1.00 42.59 ? 861 LEU A O 1 \nATOM 1273 C CB . LEU A 1 169 ? 22.281 29.042 -0.379 1.00 45.30 ? 861 LEU A CB 1 \nATOM 1274 C CG . LEU A 1 169 ? 21.724 30.283 -1.079 1.00 60.80 ? 861 LEU A CG 1 \nATOM 1275 C CD1 . LEU A 1 169 ? 21.344 29.986 -2.523 1.00 74.68 ? 861 LEU A CD1 1 \nATOM 1276 C CD2 . LEU A 1 169 ? 20.527 30.808 -0.297 1.00 46.66 ? 861 LEU A CD2 1 \nATOM 1277 N N . LEU A 1 170 ? 25.458 29.422 -0.184 1.00 43.61 ? 862 LEU A N 1 \nATOM 1278 C CA . LEU A 1 170 ? 26.554 30.390 -0.192 1.00 47.31 ? 862 LEU A CA 1 \nATOM 1279 C C . LEU A 1 170 ? 27.869 29.821 -0.747 1.00 48.26 ? 862 LEU A C 1 \nATOM 1280 O O . LEU A 1 170 ? 28.882 30.523 -0.807 1.00 49.35 ? 862 LEU A O 1 \nATOM 1281 C CB . LEU A 1 170 ? 26.749 30.970 1.218 1.00 45.15 ? 862 LEU A CB 1 \nATOM 1282 C CG . LEU A 1 170 ? 25.676 31.944 1.740 1.00 45.97 ? 862 LEU A CG 1 \nATOM 1283 C CD1 . LEU A 1 170 ? 25.961 32.300 3.191 1.00 48.31 ? 862 LEU A CD1 1 \nATOM 1284 C CD2 . LEU A 1 170 ? 25.608 33.210 0.888 1.00 47.47 ? 862 LEU A CD2 1 \nATOM 1285 N N . GLY A 1 171 ? 27.853 28.549 -1.142 1.00 49.38 ? 863 GLY A N 1 \nATOM 1286 C CA . GLY A 1 171 ? 29.018 27.916 -1.781 1.00 45.16 ? 863 GLY A CA 1 \nATOM 1287 C C . GLY A 1 171 ? 30.128 27.447 -0.847 1.00 39.80 ? 863 GLY A C 1 \nATOM 1288 O O . GLY A 1 171 ? 31.286 27.311 -1.271 1.00 50.15 ? 863 GLY A O 1 \nATOM 1289 N N . ALA A 1 172 ? 29.787 27.166 0.413 1.00 40.85 ? 864 ALA A N 1 \nATOM 1290 C CA . ALA A 1 172 ? 30.789 26.748 1.398 1.00 42.57 ? 864 ALA A CA 1 \nATOM 1291 C C . ALA A 1 172 ? 31.329 25.336 1.148 1.00 38.79 ? 864 ALA A C 1 \nATOM 1292 O O . ALA A 1 172 ? 32.211 24.884 1.866 1.00 42.81 ? 864 ALA A O 1 \nATOM 1293 C CB . ALA A 1 172 ? 30.257 26.864 2.811 1.00 41.45 ? 864 ALA A CB 1 \nATOM 1294 N N . GLU A 1 173 ? 30.779 24.650 0.148 1.00 36.82 ? 865 GLU A N 1 \nATOM 1295 C CA . GLU A 1 173 ? 31.281 23.322 -0.252 1.00 44.30 ? 865 GLU A CA 1 \nATOM 1296 C C . GLU A 1 173 ? 32.377 23.443 -1.311 1.00 47.98 ? 865 GLU A C 1 \nATOM 1297 O O . GLU A 1 173 ? 32.982 22.444 -1.707 1.00 40.23 ? 865 GLU A O 1 \nATOM 1298 C CB . GLU A 1 173 ? 30.145 22.407 -0.761 1.00 41.00 ? 865 GLU A CB 1 \nATOM 1299 C CG . GLU A 1 173 ? 29.020 22.190 0.244 1.00 53.30 ? 865 GLU A CG 1 \nATOM 1300 C CD . GLU A 1 173 ? 28.086 21.053 -0.137 1.00 66.21 ? 865 GLU A CD 1 \nATOM 1301 O OE1 . GLU A 1 173 ? 27.442 20.512 0.782 1.00 56.09 ? 865 GLU A OE1 1 \nATOM 1302 O OE2 . GLU A 1 173 ? 27.997 20.692 -1.337 1.00 63.67 ? 865 GLU A OE2 1 \nATOM 1303 N N . GLU A 1 174 ? 32.612 24.670 -1.770 1.00 47.17 ? 866 GLU A N 1 \nATOM 1304 C CA . GLU A 1 174 ? 33.608 24.955 -2.807 1.00 46.40 ? 866 GLU A CA 1 \nATOM 1305 C C . GLU A 1 174 ? 34.700 25.832 -2.210 1.00 40.98 ? 866 GLU A C 1 \nATOM 1306 O O . GLU A 1 174 ? 34.497 26.450 -1.164 1.00 38.94 ? 866 GLU A O 1 \nATOM 1307 C CB . GLU A 1 174 ? 32.956 25.644 -4.019 1.00 46.22 ? 866 GLU A CB 1 \nATOM 1308 C CG . GLU A 1 174 ? 32.102 24.730 -4.897 1.00 54.50 ? 866 GLU A CG 1 \nATOM 1309 C CD . GLU A 1 174 ? 30.714 24.468 -4.337 1.00 68.80 ? 866 GLU A CD 1 \nATOM 1310 O OE1 . GLU A 1 174 ? 30.121 23.425 -4.688 1.00 79.63 ? 866 GLU A OE1 1 \nATOM 1311 O OE2 . GLU A 1 174 ? 30.206 25.299 -3.553 1.00 68.10 ? 866 GLU A OE2 1 \nATOM 1312 N N . LYS A 1 175 ? 35.854 25.893 -2.877 1.00 37.24 ? 867 LYS A N 1 \nATOM 1313 C CA . LYS A 1 175 ? 37.036 26.539 -2.313 1.00 47.53 ? 867 LYS A CA 1 \nATOM 1314 C C . LYS A 1 175 ? 36.911 28.067 -2.320 1.00 42.85 ? 867 LYS A C 1 \nATOM 1315 O O . LYS A 1 175 ? 37.482 28.740 -1.459 1.00 40.83 ? 867 LYS A O 1 \nATOM 1316 C CB . LYS A 1 175 ? 38.325 26.074 -3.037 1.00 37.61 ? 867 LYS A CB 1 \nATOM 1317 C CG . LYS A 1 175 ? 38.432 26.433 -4.517 1.00 41.83 ? 867 LYS A CG 1 \nATOM 1318 C CD . LYS A 1 175 ? 39.175 25.359 -5.323 1.00 39.74 ? 867 LYS A CD 1 \nATOM 1319 C CE . LYS A 1 175 ? 38.867 25.438 -6.819 1.00 39.65 ? 867 LYS A CE 1 \nATOM 1320 N NZ . LYS A 1 175 ? 37.395 25.435 -7.144 1.00 43.75 ? 867 LYS A NZ 1 \nATOM 1321 N N . GLU A 1 176 ? 36.150 28.584 -3.288 1.00 40.06 ? 868 GLU A N 1 \nATOM 1322 C CA . GLU A 1 176 ? 36.053 30.019 -3.559 1.00 46.64 ? 868 GLU A CA 1 \nATOM 1323 C C . GLU A 1 176 ? 35.553 30.809 -2.344 1.00 48.10 ? 868 GLU A C 1 \nATOM 1324 O O . GLU A 1 176 ? 36.168 31.809 -1.964 1.00 42.32 ? 868 GLU A O 1 \nATOM 1325 C CB . GLU A 1 176 ? 35.192 30.281 -4.806 1.00 51.74 ? 868 GLU A CB 1 \nATOM 1326 C CG . GLU A 1 176 ? 35.891 29.990 -6.136 1.00 53.17 ? 868 GLU A CG 1 \nATOM 1327 C CD . GLU A 1 176 ? 35.976 28.505 -6.493 1.00 55.69 ? 868 GLU A CD 1 \nATOM 1328 O OE1 . GLU A 1 176 ? 35.179 27.686 -5.971 1.00 42.46 ? 868 GLU A OE1 1 \nATOM 1329 O OE2 . GLU A 1 176 ? 36.850 28.153 -7.324 1.00 48.42 ? 868 GLU A OE2 1 \nATOM 1330 N N . TYR A 1 177 ? 34.454 30.346 -1.739 1.00 45.27 ? 869 TYR A N 1 \nATOM 1331 C CA . TYR A 1 177 ? 33.932 30.900 -0.471 1.00 44.49 ? 869 TYR A CA 1 \nATOM 1332 C C . TYR A 1 177 ? 35.024 31.102 0.592 1.00 48.57 ? 869 TYR A C 1 \nATOM 1333 O O . TYR A 1 177 ? 35.104 32.164 1.215 1.00 44.29 ? 869 TYR A O 1 \nATOM 1334 C CB . TYR A 1 177 ? 32.801 29.997 0.082 1.00 48.00 ? 869 TYR A CB 1 \nATOM 1335 C CG . TYR A 1 177 ? 32.241 30.446 1.420 1.00 43.34 ? 869 TYR A CG 1 \nATOM 1336 C CD1 . TYR A 1 177 ? 32.588 29.791 2.597 1.00 37.95 ? 869 TYR A CD1 1 \nATOM 1337 C CD2 . TYR A 1 177 ? 31.372 31.544 1.509 1.00 44.45 ? 869 TYR A CD2 1 \nATOM 1338 C CE1 . TYR A 1 177 ? 32.083 30.202 3.827 1.00 37.47 ? 869 TYR A CE1 1 \nATOM 1339 C CE2 . TYR A 1 177 ? 30.878 31.968 2.739 1.00 42.96 ? 869 TYR A CE2 1 \nATOM 1340 C CZ . TYR A 1 177 ? 31.234 31.291 3.891 1.00 42.37 ? 869 TYR A CZ 1 \nATOM 1341 O OH . TYR A 1 177 ? 30.756 31.702 5.118 1.00 42.81 ? 869 TYR A OH 1 \nATOM 1342 N N . HIS A 1 178 ? 35.870 30.090 0.777 1.00 42.45 ? 870 HIS A N 1 \nATOM 1343 C CA . HIS A 1 178 ? 36.910 30.105 1.819 1.00 39.96 ? 870 HIS A CA 1 \nATOM 1344 C C . HIS A 1 178 ? 38.101 30.984 1.432 1.00 48.03 ? 870 HIS A C 1 \nATOM 1345 O O . HIS A 1 178 ? 38.716 31.644 2.285 1.00 44.35 ? 870 HIS A O 1 \nATOM 1346 C CB . HIS A 1 178 ? 37.352 28.671 2.130 1.00 43.61 ? 870 HIS A CB 1 \nATOM 1347 C CG . HIS A 1 178 ? 36.249 27.816 2.689 1.00 45.24 ? 870 HIS A CG 1 \nATOM 1348 N ND1 . HIS A 1 178 ? 35.330 27.165 1.891 1.00 48.50 ? 870 HIS A ND1 1 \nATOM 1349 C CD2 . HIS A 1 178 ? 35.909 27.525 3.966 1.00 41.55 ? 870 HIS A CD2 1 \nATOM 1350 C CE1 . HIS A 1 178 ? 34.478 26.501 2.653 1.00 40.12 ? 870 HIS A CE1 1 \nATOM 1351 N NE2 . HIS A 1 178 ? 34.803 26.708 3.917 1.00 54.39 ? 870 HIS A NE2 1 \nATOM 1352 N N . ALA A 1 179 ? 38.424 30.987 0.142 1.00 48.53 ? 871 ALA A N 1 \nATOM 1353 C CA . ALA A 1 179 ? 39.483 31.851 -0.386 1.00 52.92 ? 871 ALA A CA 1 \nATOM 1354 C C . ALA A 1 179 ? 39.090 33.330 -0.289 1.00 57.64 ? 871 ALA A C 1 \nATOM 1355 O O . ALA A 1 179 ? 39.955 34.191 -0.122 1.00 49.04 ? 871 ALA A O 1 \nATOM 1356 C CB . ALA A 1 179 ? 39.812 31.468 -1.828 1.00 50.28 ? 871 ALA A CB 1 \nATOM 1357 N N . GLU A 1 180 ? 37.784 33.610 -0.363 1.00 52.01 ? 872 GLU A N 1 \nATOM 1358 C CA . GLU A 1 180 ? 37.262 34.982 -0.336 1.00 56.03 ? 872 GLU A CA 1 \nATOM 1359 C C . GLU A 1 180 ? 36.943 35.500 1.077 1.00 59.17 ? 872 GLU A C 1 \nATOM 1360 O O . GLU A 1 180 ? 36.239 36.500 1.231 1.00 61.85 ? 872 GLU A O 1 \nATOM 1361 C CB . GLU A 1 180 ? 36.029 35.099 -1.244 1.00 68.02 ? 872 GLU A CB 1 \nATOM 1362 C CG . GLU A 1 180 ? 36.346 35.099 -2.734 1.00 77.21 ? 872 GLU A CG 1 \nATOM 1363 C CD . GLU A 1 180 ? 35.157 34.711 -3.601 1.00 97.81 ? 872 GLU A CD 1 \nATOM 1364 O OE1 . GLU A 1 180 ? 34.010 35.092 -3.275 1.00 102.61 ? 872 GLU A OE1 1 \nATOM 1365 O OE2 . GLU A 1 180 ? 35.372 34.023 -4.622 1.00 97.00 ? 872 GLU A OE2 1 \nATOM 1366 N N . GLY A 1 181 ? 37.469 34.823 2.098 1.00 58.69 ? 873 GLY A N 1 \nATOM 1367 C CA . GLY A 1 181 ? 37.326 35.262 3.487 1.00 54.40 ? 873 GLY A CA 1 \nATOM 1368 C C . GLY A 1 181 ? 36.155 34.670 4.258 1.00 44.99 ? 873 GLY A C 1 \nATOM 1369 O O . GLY A 1 181 ? 35.994 34.948 5.449 1.00 46.72 ? 873 GLY A O 1 \nATOM 1370 N N . GLY A 1 182 ? 35.348 33.841 3.597 1.00 41.02 ? 874 GLY A N 1 \nATOM 1371 C CA . GLY A 1 182 ? 34.156 33.248 4.231 1.00 46.70 ? 874 GLY A CA 1 \nATOM 1372 C C . GLY A 1 182 ? 34.533 32.316 5.367 1.00 46.89 ? 874 GLY A C 1 \nATOM 1373 O O . GLY A 1 182 ? 35.565 31.640 5.303 1.00 38.65 ? 874 GLY A O 1 \nATOM 1374 N N . LYS A 1 183 ? 33.707 32.283 6.417 1.00 40.97 ? 875 LYS A N 1 \nATOM 1375 C CA . LYS A 1 183 ? 33.971 31.414 7.573 1.00 44.70 ? 875 LYS A CA 1 \nATOM 1376 C C . LYS A 1 183 ? 32.851 30.407 7.758 1.00 45.71 ? 875 LYS A C 1 \nATOM 1377 O O . LYS A 1 183 ? 31.728 30.605 7.264 1.00 42.27 ? 875 LYS A O 1 \nATOM 1378 C CB . LYS A 1 183 ? 34.153 32.227 8.861 1.00 57.63 ? 875 LYS A CB 1 \nATOM 1379 C CG . LYS A 1 183 ? 35.303 33.225 8.833 1.00 64.74 ? 875 LYS A CG 1 \nATOM 1380 C CD . LYS A 1 183 ? 36.627 32.601 9.255 1.00 68.35 ? 875 LYS A CD 1 \nATOM 1381 C CE . LYS A 1 183 ? 37.710 33.669 9.334 1.00 73.60 ? 875 LYS A CE 1 \nATOM 1382 N NZ . LYS A 1 183 ? 38.878 33.251 10.159 1.00 70.79 ? 875 LYS A NZ 1 \nATOM 1383 N N . VAL A 1 184 ? 33.178 29.320 8.449 1.00 41.20 ? 876 VAL A N 1 \nATOM 1384 C CA . VAL A 1 184 ? 32.211 28.241 8.736 1.00 40.30 ? 876 VAL A CA 1 \nATOM 1385 C C . VAL A 1 184 ? 32.294 27.905 10.232 1.00 36.00 ? 876 VAL A C 1 \nATOM 1386 O O . VAL A 1 184 ? 33.310 28.204 10.880 1.00 41.42 ? 876 VAL A O 1 \nATOM 1387 C CB . VAL A 1 184 ? 32.448 26.993 7.845 1.00 35.33 ? 876 VAL A CB 1 \nATOM 1388 C CG1 . VAL A 1 184 ? 31.864 27.218 6.452 1.00 38.11 ? 876 VAL A CG1 1 \nATOM 1389 C CG2 . VAL A 1 184 ? 33.937 26.669 7.743 1.00 40.25 ? 876 VAL A CG2 1 \nATOM 1390 N N . PRO A 1 185 ? 31.232 27.304 10.788 1.00 36.65 ? 877 PRO A N 1 \nATOM 1391 C CA . PRO A 1 185 ? 31.168 27.085 12.243 1.00 32.43 ? 877 PRO A CA 1 \nATOM 1392 C C . PRO A 1 185 ? 31.989 25.871 12.669 1.00 33.61 ? 877 PRO A C 1 \nATOM 1393 O O . PRO A 1 185 ? 31.446 24.822 12.981 1.00 29.15 ? 877 PRO A O 1 \nATOM 1394 C CB . PRO A 1 185 ? 29.664 26.864 12.491 1.00 35.69 ? 877 PRO A CB 1 \nATOM 1395 C CG . PRO A 1 185 ? 29.144 26.302 11.211 1.00 33.67 ? 877 PRO A CG 1 \nATOM 1396 C CD . PRO A 1 185 ? 29.979 26.910 10.106 1.00 41.66 ? 877 PRO A CD 1 \nATOM 1397 N N . ILE A 1 186 ? 33.310 26.025 12.729 1.00 27.90 ? 878 ILE A N 1 \nATOM 1398 C CA . ILE A 1 186 ? 34.195 24.889 12.915 1.00 32.46 ? 878 ILE A CA 1 \nATOM 1399 C C . ILE A 1 186 ? 33.910 24.020 14.142 1.00 28.85 ? 878 ILE A C 1 \nATOM 1400 O O . ILE A 1 186 ? 34.082 22.801 14.086 1.00 28.98 ? 878 ILE A O 1 \nATOM 1401 C CB . ILE A 1 186 ? 35.683 25.345 12.980 1.00 32.09 ? 878 ILE A CB 1 \nATOM 1402 C CG1 . ILE A 1 186 ? 36.148 25.881 11.621 1.00 36.30 ? 878 ILE A CG1 1 \nATOM 1403 C CG2 . ILE A 1 186 ? 36.569 24.207 13.469 1.00 32.69 ? 878 ILE A CG2 1 \nATOM 1404 C CD1 . ILE A 1 186 ? 36.435 24.842 10.543 1.00 39.95 ? 878 ILE A CD1 1 \nATOM 1405 N N . LYS A 1 187 ? 33.533 24.645 15.259 1.00 29.60 ? 879 LYS A N 1 \nATOM 1406 C CA . LYS A 1 187 ? 33.367 23.911 16.510 1.00 26.22 ? 879 LYS A CA 1 \nATOM 1407 C C . LYS A 1 187 ? 32.094 23.034 16.526 1.00 24.84 ? 879 LYS A C 1 \nATOM 1408 O O . LYS A 1 187 ? 31.891 22.260 17.448 1.00 28.78 ? 879 LYS A O 1 \nATOM 1409 C CB . LYS A 1 187 ? 33.430 24.858 17.716 1.00 28.83 ? 879 LYS A CB 1 \nATOM 1410 C CG . LYS A 1 187 ? 34.842 25.401 17.951 1.00 38.19 ? 879 LYS A CG 1 \nATOM 1411 C CD . LYS A 1 187 ? 34.830 26.562 18.934 1.00 40.19 ? 879 LYS A CD 1 \nATOM 1412 C CE . LYS A 1 187 ? 36.246 27.029 19.228 1.00 32.84 ? 879 LYS A CE 1 \nATOM 1413 N NZ . LYS A 1 187 ? 36.263 28.136 20.240 1.00 34.70 ? 879 LYS A NZ 1 \nATOM 1414 N N . TRP A 1 188 ? 31.280 23.157 15.489 1.00 24.85 ? 880 TRP A N 1 \nATOM 1415 C CA . TRP A 1 188 ? 30.110 22.292 15.307 1.00 31.64 ? 880 TRP A CA 1 \nATOM 1416 C C . TRP A 1 188 ? 30.306 21.259 14.183 1.00 30.59 ? 880 TRP A C 1 \nATOM 1417 O O . TRP A 1 188 ? 29.457 20.390 13.978 1.00 34.02 ? 880 TRP A O 1 \nATOM 1418 C CB . TRP A 1 188 ? 28.878 23.149 15.031 1.00 27.14 ? 880 TRP A CB 1 \nATOM 1419 C CG . TRP A 1 188 ? 28.339 23.795 16.290 1.00 28.73 ? 880 TRP A CG 1 \nATOM 1420 C CD1 . TRP A 1 188 ? 27.276 23.367 17.051 1.00 28.66 ? 880 TRP A CD1 1 \nATOM 1421 C CD2 . TRP A 1 188 ? 28.859 24.962 16.945 1.00 31.97 ? 880 TRP A CD2 1 \nATOM 1422 N NE1 . TRP A 1 188 ? 27.115 24.199 18.138 1.00 28.60 ? 880 TRP A NE1 1 \nATOM 1423 C CE2 . TRP A 1 188 ? 28.064 25.190 18.091 1.00 30.62 ? 880 TRP A CE2 1 \nATOM 1424 C CE3 . TRP A 1 188 ? 29.917 25.850 16.662 1.00 31.59 ? 880 TRP A CE3 1 \nATOM 1425 C CZ2 . TRP A 1 188 ? 28.291 26.276 18.965 1.00 31.23 ? 880 TRP A CZ2 1 \nATOM 1426 C CZ3 . TRP A 1 188 ? 30.154 26.923 17.542 1.00 30.88 ? 880 TRP A CZ3 1 \nATOM 1427 C CH2 . TRP A 1 188 ? 29.358 27.112 18.676 1.00 25.65 ? 880 TRP A CH2 1 \nATOM 1428 N N . MET A 1 189 ? 31.427 21.349 13.460 1.00 27.44 ? 881 MET A N 1 \nATOM 1429 C CA . MET A 1 189 ? 31.540 20.623 12.193 1.00 26.86 ? 881 MET A CA 1 \nATOM 1430 C C . MET A 1 189 ? 32.150 19.249 12.353 1.00 28.50 ? 881 MET A C 1 \nATOM 1431 O O . MET A 1 189 ? 33.062 19.068 13.159 1.00 28.72 ? 881 MET A O 1 \nATOM 1432 C CB . MET A 1 189 ? 32.326 21.432 11.154 1.00 29.39 ? 881 MET A CB 1 \nATOM 1433 C CG . MET A 1 189 ? 31.563 22.600 10.554 1.00 32.10 ? 881 MET A CG 1 \nATOM 1434 S SD . MET A 1 189 ? 32.705 23.710 9.728 1.00 36.98 ? 881 MET A SD 1 \nATOM 1435 C CE . MET A 1 189 ? 33.274 22.696 8.370 1.00 32.20 ? 881 MET A CE 1 \nATOM 1436 N N . ALA A 1 190 ? 31.666 18.280 11.573 1.00 27.59 ? 882 ALA A N 1 \nATOM 1437 C CA . ALA A 1 190 ? 32.274 16.941 11.583 1.00 23.42 ? 882 ALA A CA 1 \nATOM 1438 C C . ALA A 1 190 ? 33.701 17.054 11.025 1.00 26.24 ? 882 ALA A C 1 \nATOM 1439 O O . ALA A 1 190 ? 33.983 17.914 10.193 1.00 25.83 ? 882 ALA A O 1 \nATOM 1440 C CB . ALA A 1 190 ? 31.483 15.966 10.710 1.00 21.36 ? 882 ALA A CB 1 \nATOM 1441 N N . LEU A 1 191 ? 34.575 16.153 11.432 1.00 29.23 ? 883 LEU A N 1 \nATOM 1442 C CA . LEU A 1 191 ? 35.973 16.210 10.953 1.00 30.11 ? 883 LEU A CA 1 \nATOM 1443 C C . LEU A 1 191 ? 36.095 16.155 9.415 1.00 31.93 ? 883 LEU A C 1 \nATOM 1444 O O . LEU A 1 191 ? 36.886 16.913 8.820 1.00 28.83 ? 883 LEU A O 1 \nATOM 1445 C CB . LEU A 1 191 ? 36.804 15.101 11.603 1.00 29.10 ? 883 LEU A CB 1 \nATOM 1446 C CG . LEU A 1 191 ? 38.327 15.214 11.398 1.00 28.93 ? 883 LEU A CG 1 \nATOM 1447 C CD1 . LEU A 1 191 ? 38.797 16.632 11.665 1.00 33.97 ? 883 LEU A CD1 1 \nATOM 1448 C CD2 . LEU A 1 191 ? 39.017 14.211 12.293 1.00 29.31 ? 883 LEU A CD2 1 \nATOM 1449 N N . GLU A 1 192 ? 35.311 15.288 8.761 1.00 21.95 ? 884 GLU A N 1 \nATOM 1450 C CA . GLU A 1 192 ? 35.344 15.209 7.296 1.00 22.92 ? 884 GLU A CA 1 \nATOM 1451 C C . GLU A 1 192 ? 34.876 16.508 6.591 1.00 26.17 ? 884 GLU A C 1 \nATOM 1452 O O . GLU A 1 192 ? 35.268 16.778 5.447 1.00 24.35 ? 884 GLU A O 1 \nATOM 1453 C CB . GLU A 1 192 ? 34.646 13.943 6.753 1.00 26.86 ? 884 GLU A CB 1 \nATOM 1454 C CG . GLU A 1 192 ? 33.105 13.951 6.895 1.00 27.94 ? 884 GLU A CG 1 \nATOM 1455 C CD . GLU A 1 192 ? 32.564 13.567 8.273 1.00 29.05 ? 884 GLU A CD 1 \nATOM 1456 O OE1 . GLU A 1 192 ? 33.301 13.408 9.265 1.00 25.06 ? 884 GLU A OE1 1 \nATOM 1457 O OE2 . GLU A 1 192 ? 31.319 13.447 8.409 1.00 23.90 ? 884 GLU A OE2 1 \nATOM 1458 N N . SER A 1 193 ? 34.033 17.294 7.263 1.00 30.81 ? 885 SER A N 1 \nATOM 1459 C CA . SER A 1 193 ? 33.587 18.585 6.721 1.00 25.73 ? 885 SER A CA 1 \nATOM 1460 C C . SER A 1 193 ? 34.723 19.608 6.802 1.00 27.51 ? 885 SER A C 1 \nATOM 1461 O O . SER A 1 193 ? 34.939 20.392 5.877 1.00 29.16 ? 885 SER A O 1 \nATOM 1462 C CB . SER A 1 193 ? 32.382 19.102 7.520 1.00 26.41 ? 885 SER A CB 1 \nATOM 1463 O OG . SER A 1 193 ? 31.330 18.146 7.461 1.00 29.44 ? 885 SER A OG 1 \nATOM 1464 N N . ILE A 1 194 ? 35.414 19.578 7.929 1.00 25.32 ? 886 ILE A N 1 \nATOM 1465 C CA . ILE A 1 194 ? 36.574 20.454 8.176 1.00 30.05 ? 886 ILE A CA 1 \nATOM 1466 C C . ILE A 1 194 ? 37.659 20.144 7.152 1.00 30.18 ? 886 ILE A C 1 \nATOM 1467 O O . ILE A 1 194 ? 38.150 21.055 6.475 1.00 32.84 ? 886 ILE A O 1 \nATOM 1468 C CB . ILE A 1 194 ? 37.110 20.303 9.615 1.00 36.22 ? 886 ILE A CB 1 \nATOM 1469 C CG1 . ILE A 1 194 ? 36.049 20.780 10.634 1.00 31.72 ? 886 ILE A CG1 1 \nATOM 1470 C CG2 . ILE A 1 194 ? 38.400 21.107 9.804 1.00 32.89 ? 886 ILE A CG2 1 \nATOM 1471 C CD1 . ILE A 1 194 ? 36.393 20.470 12.086 1.00 30.73 ? 886 ILE A CD1 1 \nATOM 1472 N N . LEU A 1 195 ? 37.993 18.853 6.989 1.00 31.51 ? 887 LEU A N 1 \nATOM 1473 C CA . LEU A 1 195 ? 39.125 18.443 6.148 1.00 34.19 ? 887 LEU A CA 1 \nATOM 1474 C C . LEU A 1 195 ? 38.849 18.409 4.655 1.00 36.04 ? 887 LEU A C 1 \nATOM 1475 O O . LEU A 1 195 ? 39.732 18.687 3.891 1.00 26.34 ? 887 LEU A O 1 \nATOM 1476 C CB . LEU A 1 195 ? 39.729 17.097 6.600 1.00 30.53 ? 887 LEU A CB 1 \nATOM 1477 C CG . LEU A 1 195 ? 40.150 17.042 8.077 1.00 39.64 ? 887 LEU A CG 1 \nATOM 1478 C CD1 . LEU A 1 195 ? 40.469 15.608 8.488 1.00 38.89 ? 887 LEU A CD1 1 \nATOM 1479 C CD2 . LEU A 1 195 ? 41.336 17.967 8.366 1.00 35.87 ? 887 LEU A CD2 1 \nATOM 1480 N N . HIS A 1 196 ? 37.628 18.086 4.233 1.00 26.10 ? 888 HIS A N 1 \nATOM 1481 C CA . HIS A 1 196 ? 37.369 17.835 2.818 1.00 24.98 ? 888 HIS A CA 1 \nATOM 1482 C C . HIS A 1 196 ? 36.058 18.409 2.302 1.00 28.24 ? 888 HIS A C 1 \nATOM 1483 O O . HIS A 1 196 ? 35.654 18.072 1.186 1.00 27.84 ? 888 HIS A O 1 \nATOM 1484 C CB . HIS A 1 196 ? 37.363 16.319 2.542 1.00 29.19 ? 888 HIS A CB 1 \nATOM 1485 C CG . HIS A 1 196 ? 38.705 15.681 2.728 1.00 31.15 ? 888 HIS A CG 1 \nATOM 1486 N ND1 . HIS A 1 196 ? 39.739 15.857 1.835 1.00 34.56 ? 888 HIS A ND1 1 \nATOM 1487 C CD2 . HIS A 1 196 ? 39.188 14.892 3.718 1.00 31.38 ? 888 HIS A CD2 1 \nATOM 1488 C CE1 . HIS A 1 196 ? 40.807 15.208 2.270 1.00 34.69 ? 888 HIS A CE1 1 \nATOM 1489 N NE2 . HIS A 1 196 ? 40.496 14.601 3.401 1.00 35.08 ? 888 HIS A NE2 1 \nATOM 1490 N N . ARG A 1 197 ? 35.422 19.255 3.114 1.00 25.02 ? 889 ARG A N 1 \nATOM 1491 C CA . ARG A 1 197 ? 34.179 19.942 2.731 1.00 32.39 ? 889 ARG A CA 1 \nATOM 1492 C C . ARG A 1 197 ? 33.118 18.923 2.370 1.00 26.78 ? 889 ARG A C 1 \nATOM 1493 O O . ARG A 1 197 ? 32.276 19.159 1.484 1.00 29.23 ? 889 ARG A O 1 \nATOM 1494 C CB . ARG A 1 197 ? 34.429 20.930 1.578 1.00 31.37 ? 889 ARG A CB 1 \nATOM 1495 C CG . ARG A 1 197 ? 35.516 21.943 1.891 1.00 33.25 ? 889 ARG A CG 1 \nATOM 1496 C CD . ARG A 1 197 ? 35.608 22.980 0.779 1.00 39.11 ? 889 ARG A CD 1 \nATOM 1497 N NE . ARG A 1 197 ? 36.544 24.044 1.105 1.00 37.65 ? 889 ARG A NE 1 \nATOM 1498 C CZ . ARG A 1 197 ? 37.701 24.266 0.468 1.00 46.93 ? 889 ARG A CZ 1 \nATOM 1499 N NH1 . ARG A 1 197 ? 38.074 23.526 -0.570 1.00 38.03 ? 889 ARG A NH1 1 \nATOM 1500 N NH2 . ARG A 1 197 ? 38.476 25.267 0.846 1.00 40.00 ? 889 ARG A NH2 1 \nATOM 1501 N N . ILE A 1 198 ? 33.175 17.774 3.039 1.00 26.13 ? 890 ILE A N 1 \nATOM 1502 C CA . ILE A 1 198 ? 32.145 16.730 2.876 1.00 29.66 ? 890 ILE A CA 1 \nATOM 1503 C C . ILE A 1 198 ? 31.018 17.016 3.855 1.00 26.43 ? 890 ILE A C 1 \nATOM 1504 O O . ILE A 1 198 ? 31.245 17.066 5.063 1.00 26.43 ? 890 ILE A O 1 \nATOM 1505 C CB . ILE A 1 198 ? 32.701 15.296 3.144 1.00 29.59 ? 890 ILE A CB 1 \nATOM 1506 C CG1 . ILE A 1 198 ? 33.716 14.901 2.071 1.00 34.56 ? 890 ILE A CG1 1 \nATOM 1507 C CG2 . ILE A 1 198 ? 31.564 14.262 3.147 1.00 26.41 ? 890 ILE A CG2 1 \nATOM 1508 C CD1 . ILE A 1 198 ? 34.686 13.798 2.502 1.00 27.38 ? 890 ILE A CD1 1 \nATOM 1509 N N . TYR A 1 199 ? 29.787 17.135 3.328 1.00 27.40 ? 891 TYR A N 1 \nATOM 1510 C CA . TYR A 1 199 ? 28.606 17.370 4.144 1.00 29.79 ? 891 TYR A CA 1 \nATOM 1511 C C . TYR A 1 199 ? 27.537 16.381 3.726 1.00 26.49 ? 891 TYR A C 1 \nATOM 1512 O O . TYR A 1 199 ? 27.188 16.314 2.550 1.00 29.21 ? 891 TYR A O 1 \nATOM 1513 C CB . TYR A 1 199 ? 28.046 18.756 3.884 1.00 31.16 ? 891 TYR A CB 1 \nATOM 1514 C CG . TYR A 1 199 ? 28.844 19.897 4.436 1.00 32.59 ? 891 TYR A CG 1 \nATOM 1515 C CD1 . TYR A 1 199 ? 28.639 20.341 5.751 1.00 30.54 ? 891 TYR A CD1 1 \nATOM 1516 C CD2 . TYR A 1 199 ? 29.797 20.548 3.648 1.00 32.80 ? 891 TYR A CD2 1 \nATOM 1517 C CE1 . TYR A 1 199 ? 29.363 21.411 6.254 1.00 37.58 ? 891 TYR A CE1 1 \nATOM 1518 C CE2 . TYR A 1 199 ? 30.514 21.623 4.141 1.00 34.48 ? 891 TYR A CE2 1 \nATOM 1519 C CZ . TYR A 1 199 ? 30.291 22.043 5.443 1.00 35.46 ? 891 TYR A CZ 1 \nATOM 1520 O OH . TYR A 1 199 ? 30.976 23.117 5.945 1.00 42.40 ? 891 TYR A OH 1 \nATOM 1521 N N . THR A 1 200 ? 27.092 15.591 4.699 1.00 27.14 ? 892 THR A N 1 \nATOM 1522 C CA . THR A 1 200 ? 26.052 14.573 4.503 1.00 28.00 ? 892 THR A CA 1 \nATOM 1523 C C . THR A 1 200 ? 25.132 14.670 5.688 1.00 24.99 ? 892 THR A C 1 \nATOM 1524 O O . THR A 1 200 ? 25.394 15.437 6.647 1.00 24.52 ? 892 THR A O 1 \nATOM 1525 C CB . THR A 1 200 ? 26.656 13.161 4.529 1.00 24.93 ? 892 THR A CB 1 \nATOM 1526 O OG1 . THR A 1 200 ? 27.152 12.906 5.842 1.00 26.37 ? 892 THR A OG1 1 \nATOM 1527 C CG2 . THR A 1 200 ? 27.808 13.012 3.492 1.00 29.56 ? 892 THR A CG2 1 \nATOM 1528 N N . HIS A 1 201 ? 24.060 13.868 5.664 1.00 26.44 ? 893 HIS A N 1 \nATOM 1529 C CA . HIS A 1 201 ? 23.230 13.753 6.839 1.00 29.70 ? 893 HIS A CA 1 \nATOM 1530 C C . HIS A 1 201 ? 23.987 13.219 8.061 1.00 24.12 ? 893 HIS A C 1 \nATOM 1531 O O . HIS A 1 201 ? 23.680 13.585 9.197 1.00 22.63 ? 893 HIS A O 1 \nATOM 1532 C CB . HIS A 1 201 ? 21.929 12.993 6.484 1.00 25.97 ? 893 HIS A CB 1 \nATOM 1533 C CG . HIS A 1 201 ? 21.172 13.679 5.386 1.00 27.52 ? 893 HIS A CG 1 \nATOM 1534 N ND1 . HIS A 1 201 ? 20.529 14.883 5.575 1.00 28.59 ? 893 HIS A ND1 1 \nATOM 1535 C CD2 . HIS A 1 201 ? 21.051 13.390 4.069 1.00 28.83 ? 893 HIS A CD2 1 \nATOM 1536 C CE1 . HIS A 1 201 ? 20.035 15.299 4.425 1.00 27.39 ? 893 HIS A CE1 1 \nATOM 1537 N NE2 . HIS A 1 201 ? 20.298 14.394 3.505 1.00 32.49 ? 893 HIS A NE2 1 \nATOM 1538 N N . GLN A 1 202 ? 25.059 12.470 7.828 1.00 26.66 ? 894 GLN A N 1 \nATOM 1539 C CA . GLN A 1 202 ? 25.919 11.997 8.926 1.00 29.47 ? 894 GLN A CA 1 \nATOM 1540 C C . GLN A 1 202 ? 26.906 13.056 9.499 1.00 26.86 ? 894 GLN A C 1 \nATOM 1541 O O . GLN A 1 202 ? 27.298 12.991 10.667 1.00 22.97 ? 894 GLN A O 1 \nATOM 1542 C CB . GLN A 1 202 ? 26.654 10.708 8.491 1.00 27.17 ? 894 GLN A CB 1 \nATOM 1543 C CG . GLN A 1 202 ? 25.705 9.525 8.192 1.00 24.91 ? 894 GLN A CG 1 \nATOM 1544 C CD . GLN A 1 202 ? 24.783 9.234 9.369 1.00 30.07 ? 894 GLN A CD 1 \nATOM 1545 O OE1 . GLN A 1 202 ? 23.581 9.588 9.349 1.00 27.00 ? 894 GLN A OE1 1 \nATOM 1546 N NE2 . GLN A 1 202 ? 25.334 8.605 10.418 1.00 27.72 ? 894 GLN A NE2 1 \nATOM 1547 N N . SER A 1 203 ? 27.288 14.034 8.695 1.00 24.14 ? 895 SER A N 1 \nATOM 1548 C CA . SER A 1 203 ? 27.927 15.211 9.257 1.00 27.27 ? 895 SER A CA 1 \nATOM 1549 C C . SER A 1 203 ? 26.958 16.056 10.075 1.00 27.74 ? 895 SER A C 1 \nATOM 1550 O O . SER A 1 203 ? 27.372 16.618 11.077 1.00 25.43 ? 895 SER A O 1 \nATOM 1551 C CB . SER A 1 203 ? 28.699 16.026 8.208 1.00 31.60 ? 895 SER A CB 1 \nATOM 1552 O OG . SER A 1 203 ? 27.862 16.621 7.234 1.00 25.89 ? 895 SER A OG 1 \nATOM 1553 N N . ASP A 1 204 ? 25.672 16.123 9.675 1.00 26.73 ? 896 ASP A N 1 \nATOM 1554 C CA . ASP A 1 204 ? 24.643 16.770 10.518 1.00 24.53 ? 896 ASP A CA 1 \nATOM 1555 C C . ASP A 1 204 ? 24.481 16.058 11.860 1.00 20.29 ? 896 ASP A C 1 \nATOM 1556 O O . ASP A 1 204 ? 24.275 16.687 12.887 1.00 22.46 ? 896 ASP A O 1 \nATOM 1557 C CB . ASP A 1 204 ? 23.246 16.817 9.833 1.00 28.43 ? 896 ASP A CB 1 \nATOM 1558 C CG . ASP A 1 204 ? 23.121 17.900 8.737 1.00 31.24 ? 896 ASP A CG 1 \nATOM 1559 O OD1 . ASP A 1 204 ? 22.115 17.834 7.982 1.00 27.91 ? 896 ASP A OD1 1 \nATOM 1560 O OD2 . ASP A 1 204 ? 23.997 18.781 8.573 1.00 26.34 ? 896 ASP A OD2 1 \nATOM 1561 N N . VAL A 1 205 ? 24.598 14.736 11.846 1.00 20.23 ? 897 VAL A N 1 \nATOM 1562 C CA . VAL A 1 205 ? 24.610 13.991 13.102 1.00 19.28 ? 897 VAL A CA 1 \nATOM 1563 C C . VAL A 1 205 ? 25.629 14.450 14.120 1.00 25.81 ? 897 VAL A C 1 \nATOM 1564 O O . VAL A 1 205 ? 25.320 14.560 15.295 1.00 22.78 ? 897 VAL A O 1 \nATOM 1565 C CB . VAL A 1 205 ? 24.658 12.448 12.868 1.00 19.54 ? 897 VAL A CB 1 \nATOM 1566 C CG1 . VAL A 1 205 ? 24.843 11.704 14.183 1.00 19.88 ? 897 VAL A CG1 1 \nATOM 1567 C CG2 . VAL A 1 205 ? 23.325 11.945 12.233 1.00 24.43 ? 897 VAL A CG2 1 \nATOM 1568 N N . TRP A 1 206 ? 26.864 14.693 13.659 1.00 21.20 ? 898 TRP A N 1 \nATOM 1569 C CA . TRP A 1 206 ? 27.927 15.223 14.521 1.00 24.82 ? 898 TRP A CA 1 \nATOM 1570 C C . TRP A 1 206 ? 27.505 16.541 15.151 1.00 23.28 ? 898 TRP A C 1 \nATOM 1571 O O . TRP A 1 206 ? 27.615 16.712 16.379 1.00 21.81 ? 898 TRP A O 1 \nATOM 1572 C CB . TRP A 1 206 ? 29.205 15.401 13.666 1.00 22.74 ? 898 TRP A CB 1 \nATOM 1573 C CG . TRP A 1 206 ? 30.380 15.970 14.398 1.00 20.42 ? 898 TRP A CG 1 \nATOM 1574 C CD1 . TRP A 1 206 ? 30.466 17.185 15.058 1.00 24.29 ? 898 TRP A CD1 1 \nATOM 1575 C CD2 . TRP A 1 206 ? 31.674 15.336 14.558 1.00 24.05 ? 898 TRP A CD2 1 \nATOM 1576 N NE1 . TRP A 1 206 ? 31.757 17.336 15.607 1.00 23.39 ? 898 TRP A NE1 1 \nATOM 1577 C CE2 . TRP A 1 206 ? 32.494 16.220 15.304 1.00 23.70 ? 898 TRP A CE2 1 \nATOM 1578 C CE3 . TRP A 1 206 ? 32.210 14.127 14.116 1.00 26.61 ? 898 TRP A CE3 1 \nATOM 1579 C CZ2 . TRP A 1 206 ? 33.837 15.910 15.635 1.00 27.97 ? 898 TRP A CZ2 1 \nATOM 1580 C CZ3 . TRP A 1 206 ? 33.568 13.828 14.425 1.00 27.65 ? 898 TRP A CZ3 1 \nATOM 1581 C CH2 . TRP A 1 206 ? 34.333 14.704 15.185 1.00 26.29 ? 898 TRP A CH2 1 \nATOM 1582 N N . SER A 1 207 ? 26.971 17.444 14.316 1.00 21.82 ? 899 SER A N 1 \nATOM 1583 C CA . SER A 1 207 ? 26.558 18.772 14.763 1.00 21.42 ? 899 SER A CA 1 \nATOM 1584 C C . SER A 1 207 ? 25.369 18.645 15.715 1.00 24.08 ? 899 SER A C 1 \nATOM 1585 O O . SER A 1 207 ? 25.228 19.457 16.652 1.00 23.02 ? 899 SER A O 1 \nATOM 1586 C CB . SER A 1 207 ? 26.142 19.636 13.571 1.00 22.79 ? 899 SER A CB 1 \nATOM 1587 O OG . SER A 1 207 ? 27.196 19.709 12.622 1.00 29.32 ? 899 SER A OG 1 \nATOM 1588 N N . TYR A 1 208 ? 24.551 17.615 15.484 1.00 24.08 ? 900 TYR A N 1 \nATOM 1589 C CA . TYR A 1 208 ? 23.474 17.266 16.443 1.00 22.45 ? 900 TYR A CA 1 \nATOM 1590 C C . TYR A 1 208 ? 24.039 16.904 17.797 1.00 24.83 ? 900 TYR A C 1 \nATOM 1591 O O . TYR A 1 208 ? 23.514 17.330 18.811 1.00 22.80 ? 900 TYR A O 1 \nATOM 1592 C CB . TYR A 1 208 ? 22.565 16.129 15.923 1.00 26.91 ? 900 TYR A CB 1 \nATOM 1593 C CG . TYR A 1 208 ? 21.483 15.683 16.918 1.00 24.64 ? 900 TYR A CG 1 \nATOM 1594 C CD1 . TYR A 1 208 ? 21.709 14.629 17.818 1.00 24.58 ? 900 TYR A CD1 1 \nATOM 1595 C CD2 . TYR A 1 208 ? 20.207 16.282 16.921 1.00 29.41 ? 900 TYR A CD2 1 \nATOM 1596 C CE1 . TYR A 1 208 ? 20.714 14.188 18.692 1.00 30.37 ? 900 TYR A CE1 1 \nATOM 1597 C CE2 . TYR A 1 208 ? 19.220 15.867 17.813 1.00 25.82 ? 900 TYR A CE2 1 \nATOM 1598 C CZ . TYR A 1 208 ? 19.472 14.819 18.694 1.00 30.20 ? 900 TYR A CZ 1 \nATOM 1599 O OH . TYR A 1 208 ? 18.495 14.386 19.571 1.00 29.23 ? 900 TYR A OH 1 \nATOM 1600 N N . GLY A 1 209 ? 25.144 16.142 17.822 1.00 25.68 ? 901 GLY A N 1 \nATOM 1601 C CA . GLY A 1 209 ? 25.756 15.748 19.096 1.00 23.98 ? 901 GLY A CA 1 \nATOM 1602 C C . GLY A 1 209 ? 26.223 17.007 19.827 1.00 24.33 ? 901 GLY A C 1 \nATOM 1603 O O . GLY A 1 209 ? 26.101 17.084 21.035 1.00 23.86 ? 901 GLY A O 1 \nATOM 1604 N N . VAL A 1 210 ? 26.818 17.960 19.086 1.00 25.05 ? 902 VAL A N 1 \nATOM 1605 C CA . VAL A 1 210 ? 27.315 19.214 19.683 1.00 21.83 ? 902 VAL A CA 1 \nATOM 1606 C C . VAL A 1 210 ? 26.114 20.019 20.243 1.00 24.08 ? 902 VAL A C 1 \nATOM 1607 O O . VAL A 1 210 ? 26.152 20.532 21.345 1.00 26.25 ? 902 VAL A O 1 \nATOM 1608 C CB . VAL A 1 210 ? 28.167 20.062 18.704 1.00 24.89 ? 902 VAL A CB 1 \nATOM 1609 C CG1 . VAL A 1 210 ? 28.771 21.289 19.420 1.00 26.81 ? 902 VAL A CG1 1 \nATOM 1610 C CG2 . VAL A 1 210 ? 29.308 19.223 18.111 1.00 22.20 ? 902 VAL A CG2 1 \nATOM 1611 N N . THR A 1 211 ? 25.058 20.097 19.457 1.00 23.91 ? 903 THR A N 1 \nATOM 1612 C CA . THR A 1 211 ? 23.826 20.789 19.902 1.00 24.59 ? 903 THR A CA 1 \nATOM 1613 C C . THR A 1 211 ? 23.306 20.220 21.235 1.00 20.47 ? 903 THR A C 1 \nATOM 1614 O O . THR A 1 211 ? 23.031 20.953 22.193 1.00 23.36 ? 903 THR A O 1 \nATOM 1615 C CB . THR A 1 211 ? 22.761 20.724 18.787 1.00 22.55 ? 903 THR A CB 1 \nATOM 1616 O OG1 . THR A 1 211 ? 23.273 21.268 17.569 1.00 24.10 ? 903 THR A OG1 1 \nATOM 1617 C CG2 . THR A 1 211 ? 21.429 21.492 19.168 1.00 24.23 ? 903 THR A CG2 1 \nATOM 1618 N N . VAL A 1 212 ? 23.170 18.901 21.300 1.00 22.65 ? 904 VAL A N 1 \nATOM 1619 C CA . VAL A 1 212 ? 22.729 18.231 22.517 1.00 24.32 ? 904 VAL A CA 1 \nATOM 1620 C C . VAL A 1 212 ? 23.639 18.562 23.686 1.00 29.53 ? 904 VAL A C 1 \nATOM 1621 O O . VAL A 1 212 ? 23.174 18.813 24.780 1.00 25.51 ? 904 VAL A O 1 \nATOM 1622 C CB . VAL A 1 212 ? 22.614 16.698 22.303 1.00 26.14 ? 904 VAL A CB 1 \nATOM 1623 C CG1 . VAL A 1 212 ? 22.367 15.967 23.621 1.00 32.14 ? 904 VAL A CG1 1 \nATOM 1624 C CG2 . VAL A 1 212 ? 21.469 16.388 21.352 1.00 29.78 ? 904 VAL A CG2 1 \nATOM 1625 N N . TRP A 1 213 ? 24.951 18.547 23.442 1.00 25.37 ? 905 TRP A N 1 \nATOM 1626 C CA . TRP A 1 213 ? 25.909 18.952 24.450 1.00 26.02 ? 905 TRP A CA 1 \nATOM 1627 C C . TRP A 1 213 ? 25.618 20.397 24.929 1.00 25.24 ? 905 TRP A C 1 \nATOM 1628 O O . TRP A 1 213 ? 25.647 20.692 26.122 1.00 25.58 ? 905 TRP A O 1 \nATOM 1629 C CB . TRP A 1 213 ? 27.344 18.846 23.879 1.00 27.12 ? 905 TRP A CB 1 \nATOM 1630 C CG . TRP A 1 213 ? 28.457 19.135 24.901 1.00 29.75 ? 905 TRP A CG 1 \nATOM 1631 C CD1 . TRP A 1 213 ? 29.071 18.227 25.727 1.00 29.86 ? 905 TRP A CD1 1 \nATOM 1632 C CD2 . TRP A 1 213 ? 29.059 20.406 25.194 1.00 29.09 ? 905 TRP A CD2 1 \nATOM 1633 N NE1 . TRP A 1 213 ? 30.016 18.857 26.518 1.00 27.53 ? 905 TRP A NE1 1 \nATOM 1634 C CE2 . TRP A 1 213 ? 30.038 20.187 26.202 1.00 31.67 ? 905 TRP A CE2 1 \nATOM 1635 C CE3 . TRP A 1 213 ? 28.896 21.705 24.680 1.00 29.99 ? 905 TRP A CE3 1 \nATOM 1636 C CZ2 . TRP A 1 213 ? 30.822 21.226 26.732 1.00 31.76 ? 905 TRP A CZ2 1 \nATOM 1637 C CZ3 . TRP A 1 213 ? 29.670 22.739 25.211 1.00 29.19 ? 905 TRP A CZ3 1 \nATOM 1638 C CH2 . TRP A 1 213 ? 30.632 22.487 26.218 1.00 31.16 ? 905 TRP A CH2 1 \nATOM 1639 N N . GLU A 1 214 ? 25.375 21.300 23.992 1.00 23.57 ? 906 GLU A N 1 \nATOM 1640 C CA . GLU A 1 214 ? 25.081 22.673 24.361 1.00 26.68 ? 906 GLU A CA 1 \nATOM 1641 C C . GLU A 1 214 ? 23.849 22.707 25.272 1.00 29.46 ? 906 GLU A C 1 \nATOM 1642 O O . GLU A 1 214 ? 23.811 23.439 26.244 1.00 30.72 ? 906 GLU A O 1 \nATOM 1643 C CB . GLU A 1 214 ? 24.731 23.494 23.126 1.00 29.21 ? 906 GLU A CB 1 \nATOM 1644 C CG . GLU A 1 214 ? 25.885 23.793 22.205 1.00 26.76 ? 906 GLU A CG 1 \nATOM 1645 C CD . GLU A 1 214 ? 25.419 24.646 21.045 1.00 26.29 ? 906 GLU A CD 1 \nATOM 1646 O OE1 . GLU A 1 214 ? 25.522 25.884 21.177 1.00 28.98 ? 906 GLU A OE1 1 \nATOM 1647 O OE2 . GLU A 1 214 ? 24.934 24.103 20.035 1.00 28.76 ? 906 GLU A OE2 1 \nATOM 1648 N N . LEU A 1 215 ? 22.852 21.897 24.946 1.00 28.88 ? 907 LEU A N 1 \nATOM 1649 C CA . LEU A 1 215 ? 21.629 21.859 25.737 1.00 31.17 ? 907 LEU A CA 1 \nATOM 1650 C C . LEU A 1 215 ? 21.876 21.375 27.176 1.00 30.41 ? 907 LEU A C 1 \nATOM 1651 O O . LEU A 1 215 ? 21.476 22.031 28.157 1.00 31.35 ? 907 LEU A O 1 \nATOM 1652 C CB . LEU A 1 215 ? 20.588 20.965 25.036 1.00 30.07 ? 907 LEU A CB 1 \nATOM 1653 C CG . LEU A 1 215 ? 20.073 21.493 23.692 1.00 29.46 ? 907 LEU A CG 1 \nATOM 1654 C CD1 . LEU A 1 215 ? 18.881 20.670 23.250 1.00 32.66 ? 907 LEU A CD1 1 \nATOM 1655 C CD2 . LEU A 1 215 ? 19.698 22.976 23.760 1.00 30.38 ? 907 LEU A CD2 1 \nATOM 1656 N N . MET A 1 216 ? 22.572 20.248 27.280 1.00 33.26 ? 908 MET A N 1 \nATOM 1657 C CA . MET A 1 216 ? 22.815 19.567 28.555 1.00 33.03 ? 908 MET A CA 1 \nATOM 1658 C C . MET A 1 216 ? 23.776 20.319 29.480 1.00 33.19 ? 908 MET A C 1 \nATOM 1659 O O . MET A 1 216 ? 23.833 20.034 30.667 1.00 32.50 ? 908 MET A O 1 \nATOM 1660 C CB . MET A 1 216 ? 23.378 18.162 28.308 1.00 29.57 ? 908 MET A CB 1 \nATOM 1661 C CG . MET A 1 216 ? 22.499 17.227 27.502 1.00 31.43 ? 908 MET A CG 1 \nATOM 1662 S SD . MET A 1 216 ? 20.915 16.950 28.305 1.00 38.14 ? 908 MET A SD 1 \nATOM 1663 C CE . MET A 1 216 ? 19.955 16.171 26.994 1.00 35.57 ? 908 MET A CE 1 \nATOM 1664 N N . THR A 1 217 ? 24.529 21.266 28.926 1.00 34.84 ? 909 THR A N 1 \nATOM 1665 C CA . THR A 1 217 ? 25.422 22.110 29.715 1.00 31.46 ? 909 THR A CA 1 \nATOM 1666 C C . THR A 1 217 ? 24.758 23.462 29.973 1.00 35.43 ? 909 THR A C 1 \nATOM 1667 O O . THR A 1 217 ? 25.369 24.375 30.533 1.00 33.37 ? 909 THR A O 1 \nATOM 1668 C CB . THR A 1 217 ? 26.755 22.383 28.990 1.00 30.17 ? 909 THR A CB 1 \nATOM 1669 O OG1 . THR A 1 217 ? 26.503 23.074 27.759 1.00 32.39 ? 909 THR A OG1 1 \nATOM 1670 C CG2 . THR A 1 217 ? 27.548 21.085 28.733 1.00 34.41 ? 909 THR A CG2 1 \nATOM 1671 N N . PHE A 1 218 ? 23.507 23.580 29.542 1.00 32.72 ? 910 PHE A N 1 \nATOM 1672 C CA . PHE A 1 218 ? 22.753 24.834 29.661 1.00 39.49 ? 910 PHE A CA 1 \nATOM 1673 C C . PHE A 1 218 ? 23.452 25.975 28.916 1.00 37.32 ? 910 PHE A C 1 \nATOM 1674 O O . PHE A 1 218 ? 23.512 27.121 29.379 1.00 34.56 ? 910 PHE A O 1 \nATOM 1675 C CB . PHE A 1 218 ? 22.465 25.145 31.144 1.00 38.60 ? 910 PHE A CB 1 \nATOM 1676 C CG . PHE A 1 218 ? 21.737 24.031 31.852 1.00 35.82 ? 910 PHE A CG 1 \nATOM 1677 C CD1 . PHE A 1 218 ? 20.360 23.874 31.695 1.00 42.92 ? 910 PHE A CD1 1 \nATOM 1678 C CD2 . PHE A 1 218 ? 22.424 23.129 32.671 1.00 39.39 ? 910 PHE A CD2 1 \nATOM 1679 C CE1 . PHE A 1 218 ? 19.684 22.843 32.335 1.00 38.58 ? 910 PHE A CE1 1 \nATOM 1680 C CE2 . PHE A 1 218 ? 21.751 22.095 33.320 1.00 38.85 ? 910 PHE A CE2 1 \nATOM 1681 C CZ . PHE A 1 218 ? 20.377 21.960 33.156 1.00 39.25 ? 910 PHE A CZ 1 \nATOM 1682 N N . GLY A 1 219 ? 23.972 25.646 27.741 1.00 30.24 ? 911 GLY A N 1 \nATOM 1683 C CA . GLY A 1 219 ? 24.480 26.659 26.818 1.00 30.44 ? 911 GLY A CA 1 \nATOM 1684 C C . GLY A 1 219 ? 25.938 27.038 26.976 1.00 31.34 ? 911 GLY A C 1 \nATOM 1685 O O . GLY A 1 219 ? 26.322 28.160 26.631 1.00 31.20 ? 911 GLY A O 1 \nATOM 1686 N N . SER A 1 220 ? 26.761 26.109 27.461 1.00 34.43 ? 912 SER A N 1 \nATOM 1687 C CA . SER A 1 220 ? 28.216 26.310 27.408 1.00 32.44 ? 912 SER A CA 1 \nATOM 1688 C C . SER A 1 220 ? 28.744 26.398 25.977 1.00 30.35 ? 912 SER A C 1 \nATOM 1689 O O . SER A 1 220 ? 28.186 25.815 25.051 1.00 29.13 ? 912 SER A O 1 \nATOM 1690 C CB . SER A 1 220 ? 28.963 25.201 28.160 1.00 37.09 ? 912 SER A CB 1 \nATOM 1691 O OG . SER A 1 220 ? 28.615 25.224 29.524 1.00 37.39 ? 912 SER A OG 1 \nATOM 1692 N N . LYS A 1 221 ? 29.864 27.105 25.822 1.00 34.33 ? 913 LYS A N 1 \nATOM 1693 C CA . LYS A 1 221 ? 30.544 27.258 24.535 1.00 36.05 ? 913 LYS A CA 1 \nATOM 1694 C C . LYS A 1 221 ? 31.469 26.073 24.282 1.00 36.45 ? 913 LYS A C 1 \nATOM 1695 O O . LYS A 1 221 ? 32.367 25.819 25.085 1.00 32.75 ? 913 LYS A O 1 \nATOM 1696 C CB . LYS A 1 221 ? 31.374 28.541 24.538 1.00 37.89 ? 913 LYS A CB 1 \nATOM 1697 C CG . LYS A 1 221 ? 30.549 29.809 24.490 1.00 41.62 ? 913 LYS A CG 1 \nATOM 1698 C CD . LYS A 1 221 ? 31.439 31.046 24.591 1.00 54.77 ? 913 LYS A CD 1 \nATOM 1699 C CE . LYS A 1 221 ? 32.281 31.258 23.338 1.00 63.20 ? 913 LYS A CE 1 \nATOM 1700 N NZ . LYS A 1 221 ? 33.156 32.457 23.448 1.00 79.59 ? 913 LYS A NZ 1 \nATOM 1701 N N . PRO A 1 222 ? 31.254 25.337 23.175 1.00 34.16 ? 914 PRO A N 1 \nATOM 1702 C CA . PRO A 1 222 ? 32.058 24.118 22.968 1.00 29.10 ? 914 PRO A CA 1 \nATOM 1703 C C . PRO A 1 222 ? 33.536 24.481 22.719 1.00 34.77 ? 914 PRO A C 1 \nATOM 1704 O O . PRO A 1 222 ? 33.814 25.439 21.996 1.00 33.33 ? 914 PRO A O 1 \nATOM 1705 C CB . PRO A 1 222 ? 31.411 23.481 21.733 1.00 33.91 ? 914 PRO A CB 1 \nATOM 1706 C CG . PRO A 1 222 ? 30.778 24.614 21.005 1.00 34.78 ? 914 PRO A CG 1 \nATOM 1707 C CD . PRO A 1 222 ? 30.298 25.560 22.076 1.00 32.97 ? 914 PRO A CD 1 \nATOM 1708 N N . TYR A 1 223 ? 34.458 23.737 23.325 1.00 33.25 ? 915 TYR A N 1 \nATOM 1709 C CA . TYR A 1 223 ? 35.895 23.998 23.177 1.00 33.85 ? 915 TYR A CA 1 \nATOM 1710 C C . TYR A 1 223 ? 36.207 25.471 23.468 1.00 39.64 ? 915 TYR A C 1 \nATOM 1711 O O . TYR A 1 223 ? 36.948 26.117 22.718 1.00 45.53 ? 915 TYR A O 1 \nATOM 1712 C CB . TYR A 1 223 ? 36.364 23.665 21.764 1.00 33.52 ? 915 TYR A CB 1 \nATOM 1713 C CG . TYR A 1 223 ? 35.818 22.388 21.190 1.00 29.32 ? 915 TYR A CG 1 \nATOM 1714 C CD1 . TYR A 1 223 ? 36.385 21.162 21.511 1.00 32.58 ? 915 TYR A CD1 1 \nATOM 1715 C CD2 . TYR A 1 223 ? 34.742 22.417 20.307 1.00 36.08 ? 915 TYR A CD2 1 \nATOM 1716 C CE1 . TYR A 1 223 ? 35.888 19.981 20.977 1.00 33.76 ? 915 TYR A CE1 1 \nATOM 1717 C CE2 . TYR A 1 223 ? 34.231 21.250 19.767 1.00 31.31 ? 915 TYR A CE2 1 \nATOM 1718 C CZ . TYR A 1 223 ? 34.802 20.038 20.107 1.00 30.34 ? 915 TYR A CZ 1 \nATOM 1719 O OH . TYR A 1 223 ? 34.315 18.876 19.539 1.00 36.05 ? 915 TYR A OH 1 \nATOM 1720 N N . ASP A 1 224 ? 35.618 25.991 24.543 1.00 43.33 ? 916 ASP A N 1 \nATOM 1721 C CA . ASP A 1 224 ? 35.768 27.396 24.940 1.00 48.23 ? 916 ASP A CA 1 \nATOM 1722 C C . ASP A 1 224 ? 37.254 27.719 25.124 1.00 48.30 ? 916 ASP A C 1 \nATOM 1723 O O . ASP A 1 224 ? 37.983 26.961 25.774 1.00 46.71 ? 916 ASP A O 1 \nATOM 1724 C CB . ASP A 1 224 ? 34.988 27.650 26.242 1.00 52.14 ? 916 ASP A CB 1 \nATOM 1725 C CG . ASP A 1 224 ? 34.922 29.136 26.628 1.00 54.58 ? 916 ASP A CG 1 \nATOM 1726 O OD1 . ASP A 1 224 ? 34.708 29.421 27.821 1.00 60.52 ? 916 ASP A OD1 1 \nATOM 1727 O OD2 . ASP A 1 224 ? 35.064 30.008 25.751 1.00 47.27 ? 916 ASP A OD2 1 \nATOM 1728 N N . GLY A 1 225 ? 37.697 28.813 24.511 1.00 56.46 ? 917 GLY A N 1 \nATOM 1729 C CA . GLY A 1 225 ? 39.085 29.258 24.635 1.00 76.19 ? 917 GLY A CA 1 \nATOM 1730 C C . GLY A 1 225 ? 40.035 28.671 23.604 1.00 72.63 ? 917 GLY A C 1 \nATOM 1731 O O . GLY A 1 225 ? 41.021 29.316 23.238 1.00 63.76 ? 917 GLY A O 1 \nATOM 1732 N N . ILE A 1 226 ? 39.738 27.452 23.143 1.00 63.90 ? 918 ILE A N 1 \nATOM 1733 C CA . ILE A 1 226 ? 40.529 26.764 22.114 1.00 49.40 ? 918 ILE A CA 1 \nATOM 1734 C C . ILE A 1 226 ? 40.345 27.411 20.732 1.00 55.67 ? 918 ILE A C 1 \nATOM 1735 O O . ILE A 1 226 ? 39.215 27.569 20.259 1.00 53.67 ? 918 ILE A O 1 \nATOM 1736 C CB . ILE A 1 226 ? 40.247 25.246 22.089 1.00 58.39 ? 918 ILE A CB 1 \nATOM 1737 C CG1 . ILE A 1 226 ? 40.788 24.592 23.362 1.00 67.71 ? 918 ILE A CG1 1 \nATOM 1738 C CG2 . ILE A 1 226 ? 40.855 24.585 20.856 1.00 49.74 ? 918 ILE A CG2 1 \nATOM 1739 C CD1 . ILE A 1 226 ? 40.277 23.185 23.600 1.00 83.95 ? 918 ILE A CD1 1 \nATOM 1740 N N . PRO A 1 227 ? 41.465 27.809 20.091 1.00 55.34 ? 919 PRO A N 1 \nATOM 1741 C CA . PRO A 1 227 ? 41.367 28.478 18.797 1.00 51.65 ? 919 PRO A CA 1 \nATOM 1742 C C . PRO A 1 227 ? 40.839 27.524 17.737 1.00 46.00 ? 919 PRO A C 1 \nATOM 1743 O O . PRO A 1 227 ? 41.228 26.335 17.700 1.00 36.86 ? 919 PRO A O 1 \nATOM 1744 C CB . PRO A 1 227 ? 42.817 28.854 18.466 1.00 48.91 ? 919 PRO A CB 1 \nATOM 1745 C CG . PRO A 1 227 ? 43.602 28.650 19.726 1.00 59.54 ? 919 PRO A CG 1 \nATOM 1746 C CD . PRO A 1 227 ? 42.867 27.590 20.494 1.00 61.20 ? 919 PRO A CD 1 \nATOM 1747 N N . ALA A 1 228 ? 39.982 28.055 16.877 1.00 42.96 ? 920 ALA A N 1 \nATOM 1748 C CA . ALA A 1 228 ? 39.380 27.267 15.795 1.00 53.07 ? 920 ALA A CA 1 \nATOM 1749 C C . ALA A 1 228 ? 40.428 26.554 14.926 1.00 52.49 ? 920 ALA A C 1 \nATOM 1750 O O . ALA A 1 228 ? 40.200 25.430 14.477 1.00 39.45 ? 920 ALA A O 1 \nATOM 1751 C CB . ALA A 1 228 ? 38.482 28.136 14.939 1.00 41.74 ? 920 ALA A CB 1 \nATOM 1752 N N . SER A 1 229 ? 41.578 27.191 14.706 1.00 42.14 ? 921 SER A N 1 \nATOM 1753 C CA . SER A 1 229 ? 42.638 26.564 13.918 1.00 38.91 ? 921 SER A CA 1 \nATOM 1754 C C . SER A 1 229 ? 43.218 25.280 14.535 1.00 41.47 ? 921 SER A C 1 \nATOM 1755 O O . SER A 1 229 ? 43.852 24.491 13.834 1.00 45.17 ? 921 SER A O 1 \nATOM 1756 C CB . SER A 1 229 ? 43.758 27.580 13.611 1.00 43.76 ? 921 SER A CB 1 \nATOM 1757 O OG . SER A 1 229 ? 44.498 27.894 14.783 1.00 45.49 ? 921 SER A OG 1 \nATOM 1758 N N . GLU A 1 230 ? 42.994 25.066 15.832 1.00 38.81 ? 922 GLU A N 1 \nATOM 1759 C CA . GLU A 1 230 ? 43.508 23.877 16.524 1.00 37.90 ? 922 GLU A CA 1 \nATOM 1760 C C . GLU A 1 230 ? 42.483 22.741 16.610 1.00 32.89 ? 922 GLU A C 1 \nATOM 1761 O O . GLU A 1 230 ? 42.824 21.636 17.051 1.00 37.01 ? 922 GLU A O 1 \nATOM 1762 C CB . GLU A 1 230 ? 43.996 24.218 17.938 1.00 43.95 ? 922 GLU A CB 1 \nATOM 1763 C CG . GLU A 1 230 ? 45.241 25.107 17.988 1.00 58.60 ? 922 GLU A CG 1 \nATOM 1764 C CD . GLU A 1 230 ? 46.562 24.340 17.959 1.00 74.68 ? 922 GLU A CD 1 \nATOM 1765 O OE1 . GLU A 1 230 ? 47.536 24.836 18.567 1.00 92.16 ? 922 GLU A OE1 1 \nATOM 1766 O OE2 . GLU A 1 230 ? 46.653 23.253 17.338 1.00 65.14 ? 922 GLU A OE2 1 \nATOM 1767 N N . ILE A 1 231 ? 41.253 22.998 16.186 1.00 36.85 ? 923 ILE A N 1 \nATOM 1768 C CA . ILE A 1 231 ? 40.183 21.993 16.380 1.00 30.58 ? 923 ILE A CA 1 \nATOM 1769 C C . ILE A 1 231 ? 40.420 20.666 15.649 1.00 27.72 ? 923 ILE A C 1 \nATOM 1770 O O . ILE A 1 231 ? 40.283 19.600 16.258 1.00 32.41 ? 923 ILE A O 1 \nATOM 1771 C CB . ILE A 1 231 ? 38.766 22.575 16.099 1.00 36.31 ? 923 ILE A CB 1 \nATOM 1772 C CG1 . ILE A 1 231 ? 38.369 23.629 17.159 1.00 35.07 ? 923 ILE A CG1 1 \nATOM 1773 C CG2 . ILE A 1 231 ? 37.725 21.455 16.020 1.00 31.73 ? 923 ILE A CG2 1 \nATOM 1774 C CD1 . ILE A 1 231 ? 38.250 23.123 18.592 1.00 32.22 ? 923 ILE A CD1 1 \nATOM 1775 N N . SER A 1 232 ? 40.756 20.704 14.355 1.00 28.13 ? 924 SER A N 1 \nATOM 1776 C CA . SER A 1 232 ? 41.002 19.463 13.633 1.00 35.63 ? 924 SER A CA 1 \nATOM 1777 C C . SER A 1 232 ? 42.110 18.610 14.291 1.00 34.96 ? 924 SER A C 1 \nATOM 1778 O O . SER A 1 232 ? 41.992 17.378 14.352 1.00 29.18 ? 924 SER A O 1 \nATOM 1779 C CB . SER A 1 232 ? 41.305 19.725 12.150 1.00 39.13 ? 924 SER A CB 1 \nATOM 1780 O OG . SER A 1 232 ? 42.613 20.267 11.983 1.00 41.55 ? 924 SER A OG 1 \nATOM 1781 N N . SER A 1 233 ? 43.194 19.226 14.792 1.00 38.53 ? 925 SER A N 1 \nATOM 1782 C CA . SER A 1 233 ? 44.236 18.385 15.393 1.00 37.45 ? 925 SER A CA 1 \nATOM 1783 C C . SER A 1 233 ? 43.771 17.767 16.716 1.00 35.21 ? 925 SER A C 1 \nATOM 1784 O O . SER A 1 233 ? 44.032 16.602 16.994 1.00 33.66 ? 925 SER A O 1 \nATOM 1785 C CB . SER A 1 233 ? 45.579 19.125 15.558 1.00 47.26 ? 925 SER A CB 1 \nATOM 1786 O OG . SER A 1 233 ? 45.435 20.233 16.416 1.00 54.50 ? 925 SER A OG 1 \nATOM 1787 N N . ILE A 1 234 ? 43.029 18.547 17.497 1.00 35.17 ? 926 ILE A N 1 \nATOM 1788 C CA . ILE A 1 234 ? 42.404 18.065 18.728 1.00 40.33 ? 926 ILE A CA 1 \nATOM 1789 C C . ILE A 1 234 ? 41.474 16.855 18.453 1.00 34.53 ? 926 ILE A C 1 \nATOM 1790 O O . ILE A 1 234 ? 41.637 15.787 19.056 1.00 32.95 ? 926 ILE A O 1 \nATOM 1791 C CB . ILE A 1 234 ? 41.718 19.262 19.443 1.00 44.79 ? 926 ILE A CB 1 \nATOM 1792 C CG1 . ILE A 1 234 ? 42.727 19.924 20.400 1.00 48.92 ? 926 ILE A CG1 1 \nATOM 1793 C CG2 . ILE A 1 234 ? 40.399 18.888 20.114 1.00 51.95 ? 926 ILE A CG2 1 \nATOM 1794 C CD1 . ILE A 1 234 ? 42.280 21.255 20.973 1.00 61.81 ? 926 ILE A CD1 1 \nATOM 1795 N N . LEU A 1 235 ? 40.532 17.007 17.520 1.00 37.12 ? 927 LEU A N 1 \nATOM 1796 C CA . LEU A 1 235 ? 39.655 15.893 17.106 1.00 32.43 ? 927 LEU A CA 1 \nATOM 1797 C C . LEU A 1 235 ? 40.412 14.654 16.605 1.00 30.80 ? 927 LEU A C 1 \nATOM 1798 O O . LEU A 1 235 ? 40.043 13.515 16.922 1.00 31.95 ? 927 LEU A O 1 \nATOM 1799 C CB . LEU A 1 235 ? 38.673 16.349 16.012 1.00 30.99 ? 927 LEU A CB 1 \nATOM 1800 C CG . LEU A 1 235 ? 37.709 17.440 16.463 1.00 32.53 ? 927 LEU A CG 1 \nATOM 1801 C CD1 . LEU A 1 235 ? 36.815 17.889 15.312 1.00 33.89 ? 927 LEU A CD1 1 \nATOM 1802 C CD2 . LEU A 1 235 ? 36.891 16.918 17.625 1.00 30.69 ? 927 LEU A CD2 1 \nATOM 1803 N N . GLU A 1 236 ? 41.450 14.888 15.810 1.00 37.01 ? 928 GLU A N 1 \nATOM 1804 C CA . GLU A 1 236 ? 42.284 13.804 15.268 1.00 39.13 ? 928 GLU A CA 1 \nATOM 1805 C C . GLU A 1 236 ? 43.002 13.019 16.360 1.00 41.39 ? 928 GLU A C 1 \nATOM 1806 O O . GLU A 1 236 ? 43.225 11.816 16.209 1.00 38.80 ? 928 GLU A O 1 \nATOM 1807 C CB . GLU A 1 236 ? 43.307 14.339 14.255 1.00 40.49 ? 928 GLU A CB 1 \nATOM 1808 C CG . GLU A 1 236 ? 42.754 14.636 12.870 1.00 44.84 ? 928 GLU A CG 1 \nATOM 1809 C CD . GLU A 1 236 ? 43.660 15.532 12.036 1.00 69.64 ? 928 GLU A CD 1 \nATOM 1810 O OE1 . GLU A 1 236 ? 43.599 15.442 10.790 1.00 74.90 ? 928 GLU A OE1 1 \nATOM 1811 O OE2 . GLU A 1 236 ? 44.432 16.332 12.616 1.00 62.95 ? 928 GLU A OE2 1 \nATOM 1812 N N . LYS A 1 237 ? 43.370 13.694 17.448 1.00 40.90 ? 929 LYS A N 1 \nATOM 1813 C CA . LYS A 1 237 ? 44.002 13.020 18.591 1.00 41.80 ? 929 LYS A CA 1 \nATOM 1814 C C . LYS A 1 237 ? 43.006 12.231 19.453 1.00 46.80 ? 929 LYS A C 1 \nATOM 1815 O O . LYS A 1 237 ? 43.398 11.536 20.394 1.00 44.25 ? 929 LYS A O 1 \nATOM 1816 C CB . LYS A 1 237 ? 44.758 14.025 19.459 1.00 50.08 ? 929 LYS A CB 1 \nATOM 1817 C CG . LYS A 1 237 ? 45.966 14.663 18.770 1.00 40.31 ? 929 LYS A CG 1 \nATOM 1818 C CD . LYS A 1 237 ? 46.644 15.696 19.666 1.00 67.33 ? 929 LYS A CD 1 \nATOM 1819 C CE . LYS A 1 237 ? 47.436 15.043 20.796 1.00 79.96 ? 929 LYS A CE 1 \nATOM 1820 N NZ . LYS A 1 237 ? 48.135 16.035 21.664 1.00 77.70 ? 929 LYS A NZ 1 \nATOM 1821 N N . GLY A 1 238 ? 41.721 12.345 19.125 1.00 37.47 ? 930 GLY A N 1 \nATOM 1822 C CA . GLY A 1 238 ? 40.652 11.633 19.840 1.00 39.43 ? 930 GLY A CA 1 \nATOM 1823 C C . GLY A 1 238 ? 39.970 12.436 20.930 1.00 38.99 ? 930 GLY A C 1 \nATOM 1824 O O . GLY A 1 238 ? 39.110 11.903 21.646 1.00 41.30 ? 930 GLY A O 1 \nATOM 1825 N N . GLU A 1 239 ? 40.330 13.714 21.069 1.00 32.16 ? 931 GLU A N 1 \nATOM 1826 C CA . GLU A 1 239 ? 39.759 14.534 22.132 1.00 32.85 ? 931 GLU A CA 1 \nATOM 1827 C C . GLU A 1 239 ? 38.329 14.954 21.745 1.00 28.27 ? 931 GLU A C 1 \nATOM 1828 O O . GLU A 1 239 ? 38.075 15.227 20.573 1.00 28.77 ? 931 GLU A O 1 \nATOM 1829 C CB . GLU A 1 239 ? 40.603 15.762 22.393 1.00 36.69 ? 931 GLU A CB 1 \nATOM 1830 C CG . GLU A 1 239 ? 40.082 16.662 23.503 1.00 49.53 ? 931 GLU A CG 1 \nATOM 1831 C CD . GLU A 1 239 ? 41.036 17.806 23.818 1.00 69.08 ? 931 GLU A CD 1 \nATOM 1832 O OE1 . GLU A 1 239 ? 42.249 17.685 23.508 1.00 53.32 ? 931 GLU A OE1 1 \nATOM 1833 O OE2 . GLU A 1 239 ? 40.568 18.828 24.374 1.00 53.97 ? 931 GLU A OE2 1 \nATOM 1834 N N . ARG A 1 240 ? 37.436 14.994 22.732 1.00 32.01 ? 932 ARG A N 1 \nATOM 1835 C CA . ARG A 1 240 ? 35.995 15.304 22.490 1.00 28.11 ? 932 ARG A CA 1 \nATOM 1836 C C . ARG A 1 240 ? 35.471 16.272 23.565 1.00 32.94 ? 932 ARG A C 1 \nATOM 1837 O O . ARG A 1 240 ? 36.145 16.500 24.574 1.00 32.49 ? 932 ARG A O 1 \nATOM 1838 C CB . ARG A 1 240 ? 35.184 14.002 22.501 1.00 26.86 ? 932 ARG A CB 1 \nATOM 1839 C CG . ARG A 1 240 ? 35.365 13.048 21.316 1.00 27.27 ? 932 ARG A CG 1 \nATOM 1840 C CD . ARG A 1 240 ? 35.153 13.715 19.958 1.00 27.89 ? 932 ARG A CD 1 \nATOM 1841 N NE . ARG A 1 240 ? 35.303 12.791 18.844 1.00 28.64 ? 932 ARG A NE 1 \nATOM 1842 C CZ . ARG A 1 240 ? 36.449 12.531 18.213 1.00 43.88 ? 932 ARG A CZ 1 \nATOM 1843 N NH1 . ARG A 1 240 ? 36.458 11.657 17.217 1.00 36.00 ? 932 ARG A NH1 1 \nATOM 1844 N NH2 . ARG A 1 240 ? 37.584 13.133 18.580 1.00 28.88 ? 932 ARG A NH2 1 \nATOM 1845 N N . LEU A 1 241 ? 34.284 16.855 23.361 1.00 28.49 ? 933 LEU A N 1 \nATOM 1846 C CA . LEU A 1 241 ? 33.643 17.646 24.416 1.00 26.44 ? 933 LEU A CA 1 \nATOM 1847 C C . LEU A 1 241 ? 33.400 16.752 25.622 1.00 27.19 ? 933 LEU A C 1 \nATOM 1848 O O . LEU A 1 241 ? 33.077 15.575 25.443 1.00 32.58 ? 933 LEU A O 1 \nATOM 1849 C CB . LEU A 1 241 ? 32.311 18.241 23.907 1.00 29.48 ? 933 LEU A CB 1 \nATOM 1850 C CG . LEU A 1 241 ? 32.510 19.274 22.790 1.00 28.80 ? 933 LEU A CG 1 \nATOM 1851 C CD1 . LEU A 1 241 ? 31.191 19.477 22.015 1.00 25.49 ? 933 LEU A CD1 1 \nATOM 1852 C CD2 . LEU A 1 241 ? 33.058 20.587 23.368 1.00 24.54 ? 933 LEU A CD2 1 \nATOM 1853 N N . PRO A 1 242 ? 33.563 17.290 26.848 1.00 29.32 ? 934 PRO A N 1 \nATOM 1854 C CA . PRO A 1 242 ? 33.465 16.519 28.091 1.00 31.42 ? 934 PRO A CA 1 \nATOM 1855 C C . PRO A 1 242 ? 32.034 16.165 28.451 1.00 31.97 ? 934 PRO A C 1 \nATOM 1856 O O . PRO A 1 242 ? 31.093 16.860 28.022 1.00 30.19 ? 934 PRO A O 1 \nATOM 1857 C CB . PRO A 1 242 ? 34.021 17.485 29.144 1.00 39.73 ? 934 PRO A CB 1 \nATOM 1858 C CG . PRO A 1 242 ? 33.717 18.844 28.599 1.00 38.13 ? 934 PRO A CG 1 \nATOM 1859 C CD . PRO A 1 242 ? 33.907 18.703 27.109 1.00 35.28 ? 934 PRO A CD 1 \nATOM 1860 N N . GLN A 1 243 ? 31.885 15.115 29.245 1.00 30.53 ? 935 GLN A N 1 \nATOM 1861 C CA . GLN A 1 243 ? 30.573 14.712 29.766 1.00 29.08 ? 935 GLN A CA 1 \nATOM 1862 C C . GLN A 1 243 ? 29.934 15.848 30.576 1.00 32.66 ? 935 GLN A C 1 \nATOM 1863 O O . GLN A 1 243 ? 30.528 16.340 31.528 1.00 36.94 ? 935 GLN A O 1 \nATOM 1864 C CB . GLN A 1 243 ? 30.703 13.453 30.638 1.00 32.68 ? 935 GLN A CB 1 \nATOM 1865 C CG . GLN A 1 243 ? 29.388 13.003 31.278 1.00 37.61 ? 935 GLN A CG 1 \nATOM 1866 C CD . GLN A 1 243 ? 29.522 11.707 32.068 1.00 41.28 ? 935 GLN A CD 1 \nATOM 1867 O OE1 . GLN A 1 243 ? 30.577 11.088 32.077 1.00 38.24 ? 935 GLN A OE1 1 \nATOM 1868 N NE2 . GLN A 1 243 ? 28.447 11.306 32.755 1.00 34.59 ? 935 GLN A NE2 1 \nATOM 1869 N N . PRO A 1 244 ? 28.713 16.273 30.190 1.00 36.45 ? 936 PRO A N 1 \nATOM 1870 C CA . PRO A 1 244 ? 28.008 17.267 31.005 1.00 39.54 ? 936 PRO A CA 1 \nATOM 1871 C C . PRO A 1 244 ? 27.664 16.677 32.377 1.00 36.69 ? 936 PRO A C 1 \nATOM 1872 O O . PRO A 1 244 ? 27.317 15.497 32.453 1.00 35.68 ? 936 PRO A O 1 \nATOM 1873 C CB . PRO A 1 244 ? 26.741 17.562 30.181 1.00 34.20 ? 936 PRO A CB 1 \nATOM 1874 C CG . PRO A 1 244 ? 27.131 17.223 28.774 1.00 32.85 ? 936 PRO A CG 1 \nATOM 1875 C CD . PRO A 1 244 ? 27.993 15.990 28.938 1.00 36.06 ? 936 PRO A CD 1 \nATOM 1876 N N . PRO A 1 245 ? 27.830 17.472 33.457 1.00 38.32 ? 937 PRO A N 1 \nATOM 1877 C CA . PRO A 1 245 ? 27.599 17.015 34.833 1.00 40.21 ? 937 PRO A CA 1 \nATOM 1878 C C . PRO A 1 245 ? 26.233 16.386 35.062 1.00 40.46 ? 937 PRO A C 1 \nATOM 1879 O O . PRO A 1 245 ? 26.126 15.433 35.842 1.00 37.59 ? 937 PRO A O 1 \nATOM 1880 C CB . PRO A 1 245 ? 27.741 18.296 35.655 1.00 46.41 ? 937 PRO A CB 1 \nATOM 1881 C CG . PRO A 1 245 ? 28.715 19.118 34.886 1.00 46.70 ? 937 PRO A CG 1 \nATOM 1882 C CD . PRO A 1 245 ? 28.506 18.788 33.426 1.00 39.47 ? 937 PRO A CD 1 \nATOM 1883 N N . ILE A 1 246 ? 25.204 16.876 34.374 1.00 34.10 ? 938 ILE A N 1 \nATOM 1884 C CA . ILE A 1 246 ? 23.855 16.329 34.558 1.00 37.91 ? 938 ILE A CA 1 \nATOM 1885 C C . ILE A 1 246 ? 23.631 14.986 33.839 1.00 37.49 ? 938 ILE A C 1 \nATOM 1886 O O . ILE A 1 246 ? 22.660 14.289 34.126 1.00 41.11 ? 938 ILE A O 1 \nATOM 1887 C CB . ILE A 1 246 ? 22.731 17.329 34.163 1.00 33.35 ? 938 ILE A CB 1 \nATOM 1888 C CG1 . ILE A 1 246 ? 22.714 17.586 32.640 1.00 35.59 ? 938 ILE A CG1 1 \nATOM 1889 C CG2 . ILE A 1 246 ? 22.828 18.633 34.966 1.00 36.27 ? 938 ILE A CG2 1 \nATOM 1890 C CD1 . ILE A 1 246 ? 21.420 18.224 32.136 1.00 34.32 ? 938 ILE A CD1 1 \nATOM 1891 N N . CYS A 1 247 ? 24.516 14.620 32.915 1.00 34.04 ? 939 CYS A N 1 \nATOM 1892 C CA . CYS A 1 247 ? 24.244 13.437 32.081 1.00 31.20 ? 939 CYS A CA 1 \nATOM 1893 C C . CYS A 1 247 ? 24.743 12.159 32.706 1.00 36.53 ? 939 CYS A C 1 \nATOM 1894 O O . CYS A 1 247 ? 25.908 12.071 33.106 1.00 31.88 ? 939 CYS A O 1 \nATOM 1895 C CB . CYS A 1 247 ? 24.905 13.551 30.709 1.00 32.11 ? 939 CYS A CB 1 \nATOM 1896 S SG . CYS A 1 247 ? 24.327 14.888 29.665 1.00 37.25 ? 939 CYS A SG 1 \nATOM 1897 N N . THR A 1 248 ? 23.891 11.141 32.747 1.00 32.45 ? 940 THR A N 1 \nATOM 1898 C CA . THR A 1 248 ? 24.426 9.802 32.980 1.00 35.97 ? 940 THR A CA 1 \nATOM 1899 C C . THR A 1 248 ? 25.287 9.401 31.793 1.00 34.97 ? 940 THR A C 1 \nATOM 1900 O O . THR A 1 248 ? 25.203 10.005 30.717 1.00 33.70 ? 940 THR A O 1 \nATOM 1901 C CB . THR A 1 248 ? 23.305 8.757 33.128 1.00 35.72 ? 940 THR A CB 1 \nATOM 1902 O OG1 . THR A 1 248 ? 22.500 8.763 31.945 1.00 39.68 ? 940 THR A OG1 1 \nATOM 1903 C CG2 . THR A 1 248 ? 22.449 9.071 34.363 1.00 40.81 ? 940 THR A CG2 1 \nATOM 1904 N N . ILE A 1 249 ? 26.085 8.351 31.966 1.00 33.98 ? 941 ILE A N 1 \nATOM 1905 C CA . ILE A 1 249 ? 26.923 7.835 30.883 1.00 36.66 ? 941 ILE A CA 1 \nATOM 1906 C C . ILE A 1 249 ? 26.138 7.370 29.646 1.00 29.75 ? 941 ILE A C 1 \nATOM 1907 O O . ILE A 1 249 ? 26.623 7.493 28.531 1.00 33.08 ? 941 ILE A O 1 \nATOM 1908 C CB . ILE A 1 249 ? 27.930 6.758 31.391 1.00 41.29 ? 941 ILE A CB 1 \nATOM 1909 C CG1 . ILE A 1 249 ? 29.080 6.560 30.399 1.00 41.07 ? 941 ILE A CG1 1 \nATOM 1910 C CG2 . ILE A 1 249 ? 27.233 5.445 31.720 1.00 36.91 ? 941 ILE A CG2 1 \nATOM 1911 C CD1 . ILE A 1 249 ? 30.126 7.650 30.441 1.00 44.87 ? 941 ILE A CD1 1 \nATOM 1912 N N . ASP A 1 250 ? 24.925 6.850 29.840 1.00 35.62 ? 942 ASP A N 1 \nATOM 1913 C CA . ASP A 1 250 ? 24.058 6.438 28.727 1.00 35.94 ? 942 ASP A CA 1 \nATOM 1914 C C . ASP A 1 250 ? 23.799 7.600 27.757 1.00 33.14 ? 942 ASP A C 1 \nATOM 1915 O O . ASP A 1 250 ? 23.804 7.423 26.529 1.00 31.94 ? 942 ASP A O 1 \nATOM 1916 C CB . ASP A 1 250 ? 22.716 5.941 29.274 1.00 34.61 ? 942 ASP A CB 1 \nATOM 1917 C CG . ASP A 1 250 ? 22.882 4.975 30.427 1.00 57.33 ? 942 ASP A CG 1 \nATOM 1918 O OD1 . ASP A 1 250 ? 22.854 3.759 30.156 1.00 55.48 ? 942 ASP A OD1 1 \nATOM 1919 O OD2 . ASP A 1 250 ? 23.075 5.431 31.589 1.00 61.31 ? 942 ASP A OD2 1 \nATOM 1920 N N . VAL A 1 251 ? 23.575 8.782 28.316 1.00 31.75 ? 943 VAL A N 1 \nATOM 1921 C CA . VAL A 1 251 ? 23.296 9.965 27.488 1.00 32.99 ? 943 VAL A CA 1 \nATOM 1922 C C . VAL A 1 251 ? 24.574 10.469 26.835 1.00 32.91 ? 943 VAL A C 1 \nATOM 1923 O O . VAL A 1 251 ? 24.594 10.757 25.638 1.00 30.24 ? 943 VAL A O 1 \nATOM 1924 C CB . VAL A 1 251 ? 22.603 11.095 28.278 1.00 38.37 ? 943 VAL A CB 1 \nATOM 1925 C CG1 . VAL A 1 251 ? 22.510 12.373 27.438 1.00 34.73 ? 943 VAL A CG1 1 \nATOM 1926 C CG2 . VAL A 1 251 ? 21.217 10.649 28.705 1.00 36.83 ? 943 VAL A CG2 1 \nATOM 1927 N N . TYR A 1 252 ? 25.647 10.557 27.612 1.00 32.14 ? 944 TYR A N 1 \nATOM 1928 C CA . TYR A 1 252 ? 26.927 10.980 27.042 1.00 31.45 ? 944 TYR A CA 1 \nATOM 1929 C C . TYR A 1 252 ? 27.404 10.020 25.942 1.00 29.66 ? 944 TYR A C 1 \nATOM 1930 O O . TYR A 1 252 ? 27.973 10.463 24.949 1.00 30.29 ? 944 TYR A O 1 \nATOM 1931 C CB . TYR A 1 252 ? 27.964 11.172 28.146 1.00 31.25 ? 944 TYR A CB 1 \nATOM 1932 C CG . TYR A 1 252 ? 29.292 11.716 27.677 1.00 33.16 ? 944 TYR A CG 1 \nATOM 1933 C CD1 . TYR A 1 252 ? 30.480 11.078 28.026 1.00 38.27 ? 944 TYR A CD1 1 \nATOM 1934 C CD2 . TYR A 1 252 ? 29.363 12.874 26.876 1.00 30.07 ? 944 TYR A CD2 1 \nATOM 1935 C CE1 . TYR A 1 252 ? 31.701 11.576 27.611 1.00 34.59 ? 944 TYR A CE1 1 \nATOM 1936 C CE2 . TYR A 1 252 ? 30.586 13.381 26.456 1.00 30.25 ? 944 TYR A CE2 1 \nATOM 1937 C CZ . TYR A 1 252 ? 31.740 12.734 26.829 1.00 33.30 ? 944 TYR A CZ 1 \nATOM 1938 O OH . TYR A 1 252 ? 32.946 13.214 26.403 1.00 32.21 ? 944 TYR A OH 1 \nATOM 1939 N N . MET A 1 253 ? 27.179 8.710 26.113 1.00 28.39 ? 945 MET A N 1 \nATOM 1940 C CA . MET A 1 253 ? 27.573 7.751 25.079 1.00 31.97 ? 945 MET A CA 1 \nATOM 1941 C C . MET A 1 253 ? 26.931 8.061 23.738 1.00 36.65 ? 945 MET A C 1 \nATOM 1942 O O . MET A 1 253 ? 27.522 7.845 22.690 1.00 28.47 ? 945 MET A O 1 \nATOM 1943 C CB . MET A 1 253 ? 27.202 6.316 25.454 1.00 38.25 ? 945 MET A CB 1 \nATOM 1944 C CG . MET A 1 253 ? 28.192 5.594 26.346 1.00 55.75 ? 945 MET A CG 1 \nATOM 1945 S SD . MET A 1 253 ? 29.792 5.350 25.555 1.00 67.50 ? 945 MET A SD 1 \nATOM 1946 C CE . MET A 1 253 ? 30.653 6.763 26.204 1.00 33.80 ? 945 MET A CE 1 \nATOM 1947 N N . ILE A 1 254 ? 25.689 8.529 23.763 1.00 30.37 ? 946 ILE A N 1 \nATOM 1948 C CA . ILE A 1 254 ? 25.062 8.912 22.527 1.00 31.60 ? 946 ILE A CA 1 \nATOM 1949 C C . ILE A 1 254 ? 25.826 10.040 21.849 1.00 24.60 ? 946 ILE A C 1 \nATOM 1950 O O . ILE A 1 254 ? 26.081 9.958 20.654 1.00 26.88 ? 946 ILE A O 1 \nATOM 1951 C CB . ILE A 1 254 ? 23.604 9.359 22.747 1.00 34.97 ? 946 ILE A CB 1 \nATOM 1952 C CG1 . ILE A 1 254 ? 22.796 8.227 23.371 1.00 41.69 ? 946 ILE A CG1 1 \nATOM 1953 C CG2 . ILE A 1 254 ? 22.984 9.808 21.430 1.00 36.80 ? 946 ILE A CG2 1 \nATOM 1954 C CD1 . ILE A 1 254 ? 21.374 8.639 23.700 1.00 41.79 ? 946 ILE A CD1 1 \nATOM 1955 N N . MET A 1 255 ? 26.132 11.097 22.606 1.00 24.86 ? 947 MET A N 1 \nATOM 1956 C CA . MET A 1 255 ? 26.870 12.239 22.100 1.00 30.27 ? 947 MET A CA 1 \nATOM 1957 C C . MET A 1 255 ? 28.209 11.750 21.532 1.00 28.44 ? 947 MET A C 1 \nATOM 1958 O O . MET A 1 255 ? 28.639 12.157 20.443 1.00 29.20 ? 947 MET A O 1 \nATOM 1959 C CB . MET A 1 255 ? 27.147 13.237 23.233 1.00 31.12 ? 947 MET A CB 1 \nATOM 1960 C CG . MET A 1 255 ? 26.092 14.323 23.437 1.00 37.09 ? 947 MET A CG 1 \nATOM 1961 S SD . MET A 1 255 ? 26.416 15.215 24.976 1.00 41.55 ? 947 MET A SD 1 \nATOM 1962 C CE . MET A 1 255 ? 25.321 14.328 26.057 1.00 38.59 ? 947 MET A CE 1 \nATOM 1963 N N . VAL A 1 256 ? 28.856 10.867 22.284 1.00 27.85 ? 948 VAL A N 1 \nATOM 1964 C CA . VAL A 1 256 ? 30.157 10.315 21.867 1.00 28.13 ? 948 VAL A CA 1 \nATOM 1965 C C . VAL A 1 256 ? 30.089 9.557 20.548 1.00 25.79 ? 948 VAL A C 1 \nATOM 1966 O O . VAL A 1 256 ? 30.941 9.740 19.686 1.00 26.90 ? 948 VAL A O 1 \nATOM 1967 C CB . VAL A 1 256 ? 30.817 9.463 22.997 1.00 35.26 ? 948 VAL A CB 1 \nATOM 1968 C CG1 . VAL A 1 256 ? 32.037 8.701 22.473 1.00 32.02 ? 948 VAL A CG1 1 \nATOM 1969 C CG2 . VAL A 1 256 ? 31.236 10.376 24.148 1.00 32.56 ? 948 VAL A CG2 1 \nATOM 1970 N N . LYS A 1 257 ? 29.031 8.755 20.361 1.00 27.83 ? 949 LYS A N 1 \nATOM 1971 C CA . LYS A 1 257 ? 28.774 8.081 19.101 1.00 27.08 ? 949 LYS A CA 1 \nATOM 1972 C C . LYS A 1 257 ? 28.585 9.047 17.933 1.00 25.07 ? 949 LYS A C 1 \nATOM 1973 O O . LYS A 1 257 ? 29.025 8.744 16.823 1.00 24.22 ? 949 LYS A O 1 \nATOM 1974 C CB . LYS A 1 257 ? 27.539 7.151 19.198 1.00 30.67 ? 949 LYS A CB 1 \nATOM 1975 C CG . LYS A 1 257 ? 27.699 5.954 20.116 1.00 50.64 ? 949 LYS A CG 1 \nATOM 1976 C CD . LYS A 1 257 ? 26.468 5.062 20.040 1.00 51.67 ? 949 LYS A CD 1 \nATOM 1977 C CE . LYS A 1 257 ? 26.423 4.044 21.167 1.00 82.77 ? 949 LYS A CE 1 \nATOM 1978 N NZ . LYS A 1 257 ? 25.147 3.272 21.132 1.00 91.62 ? 949 LYS A NZ 1 \nATOM 1979 N N . CYS A 1 258 ? 27.916 10.191 18.177 1.00 25.41 ? 950 CYS A N 1 \nATOM 1980 C CA . CYS A 1 258 ? 27.705 11.180 17.129 1.00 19.95 ? 950 CYS A CA 1 \nATOM 1981 C C . CYS A 1 258 ? 29.041 11.770 16.638 1.00 23.74 ? 950 CYS A C 1 \nATOM 1982 O O . CYS A 1 258 ? 29.101 12.339 15.565 1.00 25.93 ? 950 CYS A O 1 \nATOM 1983 C CB . CYS A 1 258 ? 26.879 12.333 17.670 1.00 19.18 ? 950 CYS A CB 1 \nATOM 1984 S SG . CYS A 1 258 ? 25.132 11.865 17.902 1.00 27.36 ? 950 CYS A SG 1 \nATOM 1985 N N . TRP A 1 259 ? 30.088 11.654 17.440 1.00 26.52 ? 951 TRP A N 1 \nATOM 1986 C CA . TRP A 1 259 ? 31.397 12.217 17.056 1.00 25.40 ? 951 TRP A CA 1 \nATOM 1987 C C . TRP A 1 259 ? 32.490 11.223 16.667 1.00 26.10 ? 951 TRP A C 1 \nATOM 1988 O O . TRP A 1 259 ? 33.711 11.543 16.678 1.00 28.21 ? 951 TRP A O 1 \nATOM 1989 C CB . TRP A 1 259 ? 31.924 13.148 18.145 1.00 29.36 ? 951 TRP A CB 1 \nATOM 1990 C CG . TRP A 1 259 ? 30.945 14.182 18.676 1.00 26.70 ? 951 TRP A CG 1 \nATOM 1991 C CD1 . TRP A 1 259 ? 30.089 14.983 17.956 1.00 24.99 ? 951 TRP A CD1 1 \nATOM 1992 C CD2 . TRP A 1 259 ? 30.788 14.550 20.045 1.00 27.29 ? 951 TRP A CD2 1 \nATOM 1993 N NE1 . TRP A 1 259 ? 29.440 15.834 18.802 1.00 24.81 ? 951 TRP A NE1 1 \nATOM 1994 C CE2 . TRP A 1 259 ? 29.813 15.567 20.092 1.00 28.56 ? 951 TRP A CE2 1 \nATOM 1995 C CE3 . TRP A 1 259 ? 31.365 14.099 21.250 1.00 21.85 ? 951 TRP A CE3 1 \nATOM 1996 C CZ2 . TRP A 1 259 ? 29.396 16.145 21.294 1.00 29.28 ? 951 TRP A CZ2 1 \nATOM 1997 C CZ3 . TRP A 1 259 ? 30.964 14.656 22.427 1.00 26.79 ? 951 TRP A CZ3 1 \nATOM 1998 C CH2 . TRP A 1 259 ? 29.962 15.679 22.449 1.00 25.12 ? 951 TRP A CH2 1 \nATOM 1999 N N . MET A 1 260 ? 32.068 10.028 16.295 1.00 28.04 ? 952 MET A N 1 \nATOM 2000 C CA . MET A 1 260 ? 32.971 9.031 15.724 1.00 31.49 ? 952 MET A CA 1 \nATOM 2001 C C . MET A 1 260 ? 33.558 9.485 14.406 1.00 31.35 ? 952 MET A C 1 \nATOM 2002 O O . MET A 1 260 ? 32.898 10.092 13.574 1.00 22.79 ? 952 MET A O 1 \nATOM 2003 C CB . MET A 1 260 ? 32.235 7.699 15.549 1.00 29.84 ? 952 MET A CB 1 \nATOM 2004 C CG . MET A 1 260 ? 31.955 7.055 16.881 1.00 35.69 ? 952 MET A CG 1 \nATOM 2005 S SD . MET A 1 260 ? 31.264 5.418 16.645 1.00 50.21 ? 952 MET A SD 1 \nATOM 2006 C CE . MET A 1 260 ? 29.532 5.748 16.482 1.00 49.56 ? 952 MET A CE 1 \nATOM 2007 N N . ILE A 1 261 ? 34.849 9.215 14.207 1.00 26.28 ? 953 ILE A N 1 \nATOM 2008 C CA . ILE A 1 261 ? 35.477 9.572 12.945 1.00 26.84 ? 953 ILE A CA 1 \nATOM 2009 C C . ILE A 1 261 ? 34.795 8.949 11.721 1.00 26.04 ? 953 ILE A C 1 \nATOM 2010 O O . ILE A 1 261 ? 34.618 9.606 10.661 1.00 27.41 ? 953 ILE A O 1 \nATOM 2011 C CB . ILE A 1 261 ? 37.008 9.189 13.002 1.00 27.73 ? 953 ILE A CB 1 \nATOM 2012 C CG1 . ILE A 1 261 ? 37.730 10.036 14.057 1.00 41.78 ? 953 ILE A CG1 1 \nATOM 2013 C CG2 . ILE A 1 261 ? 37.658 9.347 11.637 1.00 34.33 ? 953 ILE A CG2 1 \nATOM 2014 C CD1 . ILE A 1 261 ? 37.358 11.509 14.059 1.00 44.58 ? 953 ILE A CD1 1 \nATOM 2015 N N . ASP A 1 262 ? 34.376 7.696 11.878 1.00 29.16 ? 954 ASP A N 1 \nATOM 2016 C CA . ASP A 1 262 ? 33.643 6.975 10.837 1.00 25.74 ? 954 ASP A CA 1 \nATOM 2017 C C . ASP A 1 262 ? 32.196 7.450 10.801 1.00 28.20 ? 954 ASP A C 1 \nATOM 2018 O O . ASP A 1 262 ? 31.405 7.040 11.644 1.00 28.96 ? 954 ASP A O 1 \nATOM 2019 C CB . ASP A 1 262 ? 33.681 5.473 11.100 1.00 29.26 ? 954 ASP A CB 1 \nATOM 2020 C CG . ASP A 1 262 ? 32.932 4.663 10.055 1.00 44.06 ? 954 ASP A CG 1 \nATOM 2021 O OD1 . ASP A 1 262 ? 32.812 3.447 10.275 1.00 41.62 ? 954 ASP A OD1 1 \nATOM 2022 O OD2 . ASP A 1 262 ? 32.448 5.217 9.035 1.00 48.86 ? 954 ASP A OD2 1 \nATOM 2023 N N . ALA A 1 263 ? 31.874 8.302 9.828 1.00 23.94 ? 955 ALA A N 1 \nATOM 2024 C CA . ALA A 1 263 ? 30.497 8.895 9.752 1.00 27.43 ? 955 ALA A CA 1 \nATOM 2025 C C . ALA A 1 263 ? 29.398 7.840 9.609 1.00 26.35 ? 955 ALA A C 1 \nATOM 2026 O O . ALA A 1 263 ? 28.243 8.053 10.075 1.00 28.83 ? 955 ALA A O 1 \nATOM 2027 C CB . ALA A 1 263 ? 30.425 9.862 8.584 1.00 28.45 ? 955 ALA A CB 1 \nATOM 2028 N N . ASP A 1 264 ? 29.709 6.752 8.874 1.00 26.69 ? 956 ASP A N 1 \nATOM 2029 C CA . ASP A 1 264 ? 28.798 5.640 8.673 1.00 35.35 ? 956 ASP A CA 1 \nATOM 2030 C C . ASP A 1 264 ? 28.457 4.912 9.979 1.00 40.99 ? 956 ASP A C 1 \nATOM 2031 O O . ASP A 1 264 ? 27.404 4.282 10.089 1.00 37.36 ? 956 ASP A O 1 \nATOM 2032 C CB . ASP A 1 264 ? 29.334 4.636 7.633 1.00 32.05 ? 956 ASP A CB 1 \nATOM 2033 C CG . ASP A 1 264 ? 29.294 5.172 6.206 1.00 36.02 ? 956 ASP A CG 1 \nATOM 2034 O OD1 . ASP A 1 264 ? 28.299 5.828 5.811 1.00 35.49 ? 956 ASP A OD1 1 \nATOM 2035 O OD2 . ASP A 1 264 ? 30.257 4.924 5.444 1.00 34.40 ? 956 ASP A OD2 1 \nATOM 2036 N N . SER A 1 265 ? 29.350 4.987 10.957 1.00 27.19 ? 957 SER A N 1 \nATOM 2037 C CA . SER A 1 265 ? 29.096 4.376 12.282 1.00 33.80 ? 957 SER A CA 1 \nATOM 2038 C C . SER A 1 265 ? 28.258 5.210 13.267 1.00 30.15 ? 957 SER A C 1 \nATOM 2039 O O . SER A 1 265 ? 27.822 4.689 14.294 1.00 29.39 ? 957 SER A O 1 \nATOM 2040 C CB . SER A 1 265 ? 30.420 3.971 12.943 1.00 38.98 ? 957 SER A CB 1 \nATOM 2041 O OG . SER A 1 265 ? 30.965 2.841 12.272 1.00 49.31 ? 957 SER A OG 1 \nATOM 2042 N N . ARG A 1 266 ? 28.104 6.507 12.989 1.00 24.60 ? 958 ARG A N 1 \nATOM 2043 C CA . ARG A 1 266 ? 27.427 7.421 13.874 1.00 22.34 ? 958 ARG A CA 1 \nATOM 2044 C C . ARG A 1 266 ? 25.958 6.978 13.823 1.00 26.19 ? 958 ARG A C 1 \nATOM 2045 O O . ARG A 1 266 ? 25.567 6.399 12.818 1.00 29.89 ? 958 ARG A O 1 \nATOM 2046 C CB . ARG A 1 266 ? 27.487 8.840 13.320 1.00 22.29 ? 958 ARG A CB 1 \nATOM 2047 C CG . ARG A 1 266 ? 28.877 9.471 13.416 1.00 26.42 ? 958 ARG A CG 1 \nATOM 2048 C CD . ARG A 1 266 ? 28.968 10.829 12.731 1.00 21.30 ? 958 ARG A CD 1 \nATOM 2049 N NE . ARG A 1 266 ? 30.421 11.064 12.508 1.00 23.89 ? 958 ARG A NE 1 \nATOM 2050 C CZ . ARG A 1 266 ? 30.895 11.848 11.556 1.00 24.19 ? 958 ARG A CZ 1 \nATOM 2051 N NH1 . ARG A 1 266 ? 32.214 11.950 11.405 1.00 25.65 ? 958 ARG A NH1 1 \nATOM 2052 N NH2 . ARG A 1 266 ? 30.062 12.523 10.754 1.00 24.53 ? 958 ARG A NH2 1 \nATOM 2053 N N . PRO A 1 267 ? 25.180 7.292 14.873 1.00 25.41 ? 959 PRO A N 1 \nATOM 2054 C CA . PRO A 1 267 ? 23.727 6.979 14.901 1.00 29.19 ? 959 PRO A CA 1 \nATOM 2055 C C . PRO A 1 267 ? 23.027 7.670 13.743 1.00 29.90 ? 959 PRO A C 1 \nATOM 2056 O O . PRO A 1 267 ? 23.515 8.685 13.220 1.00 29.85 ? 959 PRO A O 1 \nATOM 2057 C CB . PRO A 1 267 ? 23.253 7.611 16.218 1.00 27.16 ? 959 PRO A CB 1 \nATOM 2058 C CG . PRO A 1 267 ? 24.496 7.779 17.044 1.00 33.36 ? 959 PRO A CG 1 \nATOM 2059 C CD . PRO A 1 267 ? 25.558 8.113 16.031 1.00 25.57 ? 959 PRO A CD 1 \nATOM 2060 N N . LYS A 1 268 ? 21.865 7.156 13.352 1.00 29.28 ? 960 LYS A N 1 \nATOM 2061 C CA . LYS A 1 268 ? 21.033 7.865 12.390 1.00 30.63 ? 960 LYS A CA 1 \nATOM 2062 C C . LYS A 1 268 ? 19.933 8.641 13.110 1.00 31.70 ? 960 LYS A C 1 \nATOM 2063 O O . LYS A 1 268 ? 19.543 8.314 14.221 1.00 28.52 ? 960 LYS A O 1 \nATOM 2064 C CB . LYS A 1 268 ? 20.365 6.870 11.429 1.00 32.29 ? 960 LYS A CB 1 \nATOM 2065 C CG . LYS A 1 268 ? 21.313 5.899 10.741 1.00 36.44 ? 960 LYS A CG 1 \nATOM 2066 C CD . LYS A 1 268 ? 22.209 6.612 9.746 1.00 37.47 ? 960 LYS A CD 1 \nATOM 2067 C CE . LYS A 1 268 ? 23.462 5.782 9.499 1.00 48.14 ? 960 LYS A CE 1 \nATOM 2068 N NZ . LYS A 1 268 ? 23.127 4.504 8.814 1.00 57.44 ? 960 LYS A NZ 1 \nATOM 2069 N N . PHE A 1 269 ? 19.394 9.652 12.456 1.00 24.91 ? 961 PHE A N 1 \nATOM 2070 C CA . PHE A 1 269 ? 18.433 10.468 13.137 1.00 26.97 ? 961 PHE A CA 1 \nATOM 2071 C C . PHE A 1 269 ? 17.237 9.612 13.525 1.00 22.48 ? 961 PHE A C 1 \nATOM 2072 O O . PHE A 1 269 ? 16.689 9.800 14.595 1.00 26.85 ? 961 PHE A O 1 \nATOM 2073 C CB . PHE A 1 269 ? 18.014 11.643 12.277 1.00 33.43 ? 961 PHE A CB 1 \nATOM 2074 C CG . PHE A 1 269 ? 19.026 12.743 12.274 1.00 24.90 ? 961 PHE A CG 1 \nATOM 2075 C CD1 . PHE A 1 269 ? 19.358 13.369 13.466 1.00 23.94 ? 961 PHE A CD1 1 \nATOM 2076 C CD2 . PHE A 1 269 ? 19.630 13.143 11.093 1.00 24.13 ? 961 PHE A CD2 1 \nATOM 2077 C CE1 . PHE A 1 269 ? 20.352 14.358 13.498 1.00 26.04 ? 961 PHE A CE1 1 \nATOM 2078 C CE2 . PHE A 1 269 ? 20.554 14.165 11.109 1.00 27.17 ? 961 PHE A CE2 1 \nATOM 2079 C CZ . PHE A 1 269 ? 20.904 14.778 12.306 1.00 25.42 ? 961 PHE A CZ 1 \nATOM 2080 N N . ARG A 1 270 ? 16.913 8.620 12.705 1.00 24.16 ? 962 ARG A N 1 \nATOM 2081 C CA . ARG A 1 270 ? 15.698 7.803 12.997 1.00 32.45 ? 962 ARG A CA 1 \nATOM 2082 C C . ARG A 1 270 ? 15.979 7.043 14.307 1.00 35.66 ? 962 ARG A C 1 \nATOM 2083 O O . ARG A 1 270 ? 15.109 6.916 15.173 1.00 34.39 ? 962 ARG A O 1 \nATOM 2084 C CB . ARG A 1 270 ? 15.393 6.848 11.821 1.00 36.50 ? 962 ARG A CB 1 \nATOM 2085 C CG . ARG A 1 270 ? 16.445 5.762 11.594 1.00 48.32 ? 962 ARG A CG 1 \nATOM 2086 C CD . ARG A 1 270 ? 16.647 5.384 10.127 1.00 72.54 ? 962 ARG A CD 1 \nATOM 2087 N NE . ARG A 1 270 ? 17.491 6.337 9.388 1.00 61.27 ? 962 ARG A NE 1 \nATOM 2088 C CZ . ARG A 1 270 ? 18.232 6.030 8.322 1.00 64.43 ? 962 ARG A CZ 1 \nATOM 2089 N NH1 . ARG A 1 270 ? 18.264 4.780 7.865 1.00 77.99 ? 962 ARG A NH1 1 \nATOM 2090 N NH2 . ARG A 1 270 ? 18.964 6.968 7.716 1.00 54.18 ? 962 ARG A NH2 1 \nATOM 2091 N N . GLU A 1 271 ? 17.232 6.598 14.462 1.00 30.85 ? 963 GLU A N 1 \nATOM 2092 C CA . GLU A 1 271 ? 17.713 5.932 15.695 1.00 32.05 ? 963 GLU A CA 1 \nATOM 2093 C C . GLU A 1 271 ? 17.723 6.833 16.937 1.00 31.45 ? 963 GLU A C 1 \nATOM 2094 O O . GLU A 1 271 ? 17.424 6.388 18.040 1.00 29.54 ? 963 GLU A O 1 \nATOM 2095 C CB . GLU A 1 271 ? 19.123 5.344 15.466 1.00 37.66 ? 963 GLU A CB 1 \nATOM 2096 C CG . GLU A 1 271 ? 19.140 4.191 14.463 1.00 39.70 ? 963 GLU A CG 1 \nATOM 2097 C CD . GLU A 1 271 ? 20.539 3.774 14.022 1.00 60.45 ? 963 GLU A CD 1 \nATOM 2098 O OE1 . GLU A 1 271 ? 20.644 2.752 13.313 1.00 56.23 ? 963 GLU A OE1 1 \nATOM 2099 O OE2 . GLU A 1 271 ? 21.533 4.453 14.369 1.00 41.38 ? 963 GLU A OE2 1 \nATOM 2100 N N . LEU A 1 272 ? 18.100 8.096 16.762 1.00 25.31 ? 964 LEU A N 1 \nATOM 2101 C CA . LEU A 1 272 ? 18.184 9.032 17.859 1.00 26.32 ? 964 LEU A CA 1 \nATOM 2102 C C . LEU A 1 272 ? 16.778 9.424 18.328 1.00 26.13 ? 964 LEU A C 1 \nATOM 2103 O O . LEU A 1 272 ? 16.542 9.584 19.516 1.00 28.65 ? 964 LEU A O 1 \nATOM 2104 C CB . LEU A 1 272 ? 18.960 10.264 17.395 1.00 25.89 ? 964 LEU A CB 1 \nATOM 2105 C CG . LEU A 1 272 ? 20.460 10.072 17.111 1.00 28.60 ? 964 LEU A CG 1 \nATOM 2106 C CD1 . LEU A 1 272 ? 20.942 11.251 16.261 1.00 28.66 ? 964 LEU A CD1 1 \nATOM 2107 C CD2 . LEU A 1 272 ? 21.206 9.996 18.428 1.00 27.47 ? 964 LEU A CD2 1 \nATOM 2108 N N . ILE A 1 273 ? 15.848 9.508 17.390 1.00 28.34 ? 965 ILE A N 1 \nATOM 2109 C CA . ILE A 1 273 ? 14.435 9.745 17.762 1.00 26.46 ? 965 ILE A CA 1 \nATOM 2110 C C . ILE A 1 273 ? 13.987 8.624 18.726 1.00 30.61 ? 965 ILE A C 1 \nATOM 2111 O O . ILE A 1 273 ? 13.446 8.890 19.807 1.00 35.75 ? 965 ILE A O 1 \nATOM 2112 C CB . ILE A 1 273 ? 13.507 9.775 16.531 1.00 25.40 ? 965 ILE A CB 1 \nATOM 2113 C CG1 . ILE A 1 273 ? 13.784 10.979 15.618 1.00 25.97 ? 965 ILE A CG1 1 \nATOM 2114 C CG2 . ILE A 1 273 ? 12.032 9.811 17.000 1.00 25.35 ? 965 ILE A CG2 1 \nATOM 2115 C CD1 . ILE A 1 273 ? 13.176 10.873 14.232 1.00 30.34 ? 965 ILE A CD1 1 \nATOM 2116 N N . ILE A 1 274 ? 14.233 7.375 18.338 1.00 29.68 ? 966 ILE A N 1 \nATOM 2117 C CA . ILE A 1 274 ? 13.841 6.221 19.176 1.00 33.21 ? 966 ILE A CA 1 \nATOM 2118 C C . ILE A 1 274 ? 14.534 6.232 20.529 1.00 36.70 ? 966 ILE A C 1 \nATOM 2119 O O . ILE A 1 274 ? 13.885 6.070 21.549 1.00 31.29 ? 966 ILE A O 1 \nATOM 2120 C CB . ILE A 1 274 ? 14.066 4.878 18.435 1.00 37.90 ? 966 ILE A CB 1 \nATOM 2121 C CG1 . ILE A 1 274 ? 13.175 4.837 17.184 1.00 35.13 ? 966 ILE A CG1 1 \nATOM 2122 C CG2 . ILE A 1 274 ? 13.825 3.690 19.359 1.00 38.22 ? 966 ILE A CG2 1 \nATOM 2123 C CD1 . ILE A 1 274 ? 13.473 3.718 16.211 1.00 39.64 ? 966 ILE A CD1 1 \nATOM 2124 N N . GLU A 1 275 ? 15.857 6.436 20.546 1.00 29.87 ? 967 GLU A N 1 \nATOM 2125 C CA . GLU A 1 275 ? 16.596 6.395 21.799 1.00 30.45 ? 967 GLU A CA 1 \nATOM 2126 C C . GLU A 1 275 ? 16.229 7.514 22.744 1.00 27.32 ? 967 GLU A C 1 \nATOM 2127 O O . GLU A 1 275 ? 16.050 7.279 23.938 1.00 31.31 ? 967 GLU A O 1 \nATOM 2128 C CB . GLU A 1 275 ? 18.118 6.417 21.550 1.00 29.82 ? 967 GLU A CB 1 \nATOM 2129 C CG . GLU A 1 275 ? 18.888 6.111 22.833 1.00 41.91 ? 967 GLU A CG 1 \nATOM 2130 C CD . GLU A 1 275 ? 20.220 5.413 22.612 1.00 67.96 ? 967 GLU A CD 1 \nATOM 2131 O OE1 . GLU A 1 275 ? 20.706 5.384 21.459 1.00 72.73 ? 967 GLU A OE1 1 \nATOM 2132 O OE2 . GLU A 1 275 ? 20.787 4.895 23.605 1.00 71.12 ? 967 GLU A OE2 1 \nATOM 2133 N N . PHE A 1 276 ? 16.157 8.746 22.244 1.00 25.09 ? 968 PHE A N 1 \nATOM 2134 C CA . PHE A 1 276 ? 15.799 9.825 23.118 1.00 24.70 ? 968 PHE A CA 1 \nATOM 2135 C C . PHE A 1 276 ? 14.334 9.732 23.526 1.00 27.77 ? 968 PHE A C 1 \nATOM 2136 O O . PHE A 1 276 ? 13.984 10.202 24.602 1.00 33.79 ? 968 PHE A O 1 \nATOM 2137 C CB . PHE A 1 276 ? 16.098 11.200 22.519 1.00 29.04 ? 968 PHE A CB 1 \nATOM 2138 C CG . PHE A 1 276 ? 17.534 11.615 22.687 1.00 26.08 ? 968 PHE A CG 1 \nATOM 2139 C CD1 . PHE A 1 276 ? 17.986 12.107 23.923 1.00 28.02 ? 968 PHE A CD1 1 \nATOM 2140 C CD2 . PHE A 1 276 ? 18.414 11.523 21.643 1.00 31.48 ? 968 PHE A CD2 1 \nATOM 2141 C CE1 . PHE A 1 276 ? 19.312 12.484 24.098 1.00 37.91 ? 968 PHE A CE1 1 \nATOM 2142 C CE2 . PHE A 1 276 ? 19.764 11.894 21.814 1.00 28.57 ? 968 PHE A CE2 1 \nATOM 2143 C CZ . PHE A 1 276 ? 20.193 12.375 23.040 1.00 28.34 ? 968 PHE A CZ 1 \nATOM 2144 N N . SER A 1 277 ? 13.498 9.131 22.682 1.00 30.87 ? 969 SER A N 1 \nATOM 2145 C CA . SER A 1 277 ? 12.068 8.965 23.060 1.00 33.85 ? 969 SER A CA 1 \nATOM 2146 C C . SER A 1 277 ? 11.898 7.999 24.228 1.00 33.17 ? 969 SER A C 1 \nATOM 2147 O O . SER A 1 277 ? 11.093 8.243 25.128 1.00 34.84 ? 969 SER A O 1 \nATOM 2148 C CB . SER A 1 277 ? 11.181 8.532 21.883 1.00 32.06 ? 969 SER A CB 1 \nATOM 2149 O OG . SER A 1 277 ? 10.991 9.585 20.955 1.00 33.02 ? 969 SER A OG 1 \nATOM 2150 N N . LYS A 1 278 ? 12.652 6.908 24.205 1.00 32.14 ? 970 LYS A N 1 \nATOM 2151 C CA . LYS A 1 278 ? 12.703 5.961 25.309 1.00 37.37 ? 970 LYS A CA 1 \nATOM 2152 C C . LYS A 1 278 ? 13.193 6.609 26.609 1.00 39.04 ? 970 LYS A C 1 \nATOM 2153 O O . LYS A 1 278 ? 12.638 6.378 27.685 1.00 34.22 ? 970 LYS A O 1 \nATOM 2154 C CB . LYS A 1 278 ? 13.586 4.781 24.930 1.00 44.71 ? 970 LYS A CB 1 \nATOM 2155 C CG . LYS A 1 278 ? 13.514 3.603 25.888 1.00 54.40 ? 970 LYS A CG 1 \nATOM 2156 C CD . LYS A 1 278 ? 14.842 2.871 25.914 1.00 66.75 ? 970 LYS A CD 1 \nATOM 2157 C CE . LYS A 1 278 ? 15.858 3.647 26.735 1.00 61.14 ? 970 LYS A CE 1 \nATOM 2158 N NZ . LYS A 1 278 ? 17.221 3.578 26.145 1.00 57.30 ? 970 LYS A NZ 1 \nATOM 2159 N N . MET A 1 279 ? 14.221 7.447 26.507 1.00 34.27 ? 971 MET A N 1 \nATOM 2160 C CA . MET A 1 279 ? 14.714 8.170 27.667 1.00 38.53 ? 971 MET A CA 1 \nATOM 2161 C C . MET A 1 279 ? 13.699 9.182 28.205 1.00 36.40 ? 971 MET A C 1 \nATOM 2162 O O . MET A 1 279 ? 13.541 9.326 29.421 1.00 37.01 ? 971 MET A O 1 \nATOM 2163 C CB . MET A 1 279 ? 16.045 8.860 27.343 1.00 32.59 ? 971 MET A CB 1 \nATOM 2164 C CG . MET A 1 279 ? 17.187 7.876 27.201 1.00 37.63 ? 971 MET A CG 1 \nATOM 2165 S SD . MET A 1 279 ? 18.730 8.693 26.743 1.00 42.65 ? 971 MET A SD 1 \nATOM 2166 C CE . MET A 1 279 ? 19.755 7.243 26.504 1.00 41.03 ? 971 MET A CE 1 \nATOM 2167 N N . ALA A 1 280 ? 13.022 9.881 27.306 1.00 35.63 ? 972 ALA A N 1 \nATOM 2168 C CA . ALA A 1 280 ? 12.009 10.863 27.707 1.00 40.29 ? 972 ALA A CA 1 \nATOM 2169 C C . ALA A 1 280 ? 10.846 10.214 28.471 1.00 39.74 ? 972 ALA A C 1 \nATOM 2170 O O . ALA A 1 280 ? 10.048 10.905 29.100 1.00 41.83 ? 972 ALA A O 1 \nATOM 2171 C CB . ALA A 1 280 ? 11.484 11.612 26.501 1.00 36.65 ? 972 ALA A CB 1 \nATOM 2172 N N . ARG A 1 281 ? 10.763 8.890 28.411 1.00 38.80 ? 973 ARG A N 1 \nATOM 2173 C CA . ARG A 1 281 ? 9.721 8.145 29.122 1.00 45.17 ? 973 ARG A CA 1 \nATOM 2174 C C . ARG A 1 281 ? 10.071 7.938 30.587 1.00 46.95 ? 973 ARG A C 1 \nATOM 2175 O O . ARG A 1 281 ? 9.193 7.680 31.408 1.00 46.82 ? 973 ARG A O 1 \nATOM 2176 C CB . ARG A 1 281 ? 9.460 6.799 28.448 1.00 49.11 ? 973 ARG A CB 1 \nATOM 2177 C CG . ARG A 1 281 ? 8.497 6.894 27.281 1.00 63.00 ? 973 ARG A CG 1 \nATOM 2178 C CD . ARG A 1 281 ? 8.006 5.523 26.852 1.00 68.86 ? 973 ARG A CD 1 \nATOM 2179 N NE . ARG A 1 281 ? 8.972 4.845 25.992 1.00 74.80 ? 973 ARG A NE 1 \nATOM 2180 C CZ . ARG A 1 281 ? 9.147 5.112 24.699 1.00 74.25 ? 973 ARG A CZ 1 \nATOM 2181 N NH1 . ARG A 1 281 ? 8.426 6.054 24.094 1.00 60.78 ? 973 ARG A NH1 1 \nATOM 2182 N NH2 . ARG A 1 281 ? 10.052 4.439 24.007 1.00 62.58 ? 973 ARG A NH2 1 \nATOM 2183 N N . ASP A 1 282 ? 11.356 8.059 30.913 1.00 44.27 ? 974 ASP A N 1 \nATOM 2184 C CA . ASP A 1 282 ? 11.825 7.902 32.281 1.00 40.09 ? 974 ASP A CA 1 \nATOM 2185 C C . ASP A 1 282 ? 12.989 8.886 32.485 1.00 43.22 ? 974 ASP A C 1 \nATOM 2186 O O . ASP A 1 282 ? 14.125 8.467 32.685 1.00 44.56 ? 974 ASP A O 1 \nATOM 2187 C CB . ASP A 1 282 ? 12.254 6.440 32.496 1.00 49.38 ? 974 ASP A CB 1 \nATOM 2188 C CG . ASP A 1 282 ? 12.701 6.146 33.922 1.00 50.59 ? 974 ASP A CG 1 \nATOM 2189 O OD1 . ASP A 1 282 ? 12.452 6.968 34.825 1.00 48.82 ? 974 ASP A OD1 1 \nATOM 2190 O OD2 . ASP A 1 282 ? 13.317 5.076 34.134 1.00 59.91 ? 974 ASP A OD2 1 \nATOM 2191 N N . PRO A 1 283 ? 12.706 10.199 32.427 1.00 47.74 ? 975 PRO A N 1 \nATOM 2192 C CA . PRO A 1 283 ? 13.787 11.200 32.291 1.00 38.86 ? 975 PRO A CA 1 \nATOM 2193 C C . PRO A 1 283 ? 14.784 11.235 33.452 1.00 49.16 ? 975 PRO A C 1 \nATOM 2194 O O . PRO A 1 283 ? 15.972 11.511 33.256 1.00 35.53 ? 975 PRO A O 1 \nATOM 2195 C CB . PRO A 1 283 ? 13.033 12.530 32.189 1.00 42.70 ? 975 PRO A CB 1 \nATOM 2196 C CG . PRO A 1 283 ? 11.678 12.271 32.763 1.00 40.71 ? 975 PRO A CG 1 \nATOM 2197 C CD . PRO A 1 283 ? 11.371 10.826 32.491 1.00 37.78 ? 975 PRO A CD 1 \nATOM 2198 N N . GLN A 1 284 ? 14.305 10.943 34.654 1.00 46.37 ? 976 GLN A N 1 \nATOM 2199 C CA . GLN A 1 284 ? 15.132 11.037 35.844 1.00 44.65 ? 976 GLN A CA 1 \nATOM 2200 C C . GLN A 1 284 ? 16.125 9.898 35.976 1.00 44.99 ? 976 GLN A C 1 \nATOM 2201 O O . GLN A 1 284 ? 17.103 10.018 36.712 1.00 46.21 ? 976 GLN A O 1 \nATOM 2202 C CB . GLN A 1 284 ? 14.268 11.228 37.092 1.00 49.69 ? 976 GLN A CB 1 \nATOM 2203 C CG . GLN A 1 284 ? 13.475 12.530 37.034 1.00 56.06 ? 976 GLN A CG 1 \nATOM 2204 C CD . GLN A 1 284 ? 12.517 12.716 38.191 1.00 63.88 ? 976 GLN A CD 1 \nATOM 2205 O OE1 . GLN A 1 284 ? 11.316 12.930 37.993 1.00 71.50 ? 976 GLN A OE1 1 \nATOM 2206 N NE2 . GLN A 1 284 ? 13.039 12.644 39.403 1.00 50.50 ? 976 GLN A NE2 1 \nATOM 2207 N N . ARG A 1 285 ? 15.884 8.808 35.243 1.00 42.74 ? 977 ARG A N 1 \nATOM 2208 C CA . ARG A 1 285 ? 16.888 7.757 35.069 1.00 45.63 ? 977 ARG A CA 1 \nATOM 2209 C C . ARG A 1 285 ? 18.112 8.246 34.274 1.00 43.53 ? 977 ARG A C 1 \nATOM 2210 O O . ARG A 1 285 ? 19.234 7.782 34.496 1.00 42.89 ? 977 ARG A O 1 \nATOM 2211 C CB . ARG A 1 285 ? 16.281 6.535 34.364 1.00 45.27 ? 977 ARG A CB 1 \nATOM 2212 C CG . ARG A 1 285 ? 17.132 5.283 34.472 1.00 46.22 ? 977 ARG A CG 1 \nATOM 2213 C CD . ARG A 1 285 ? 16.596 4.107 33.671 1.00 54.73 ? 977 ARG A CD 1 \nATOM 2214 N NE . ARG A 1 285 ? 17.709 3.226 33.297 1.00 57.38 ? 977 ARG A NE 1 \nATOM 2215 C CZ . ARG A 1 285 ? 17.623 2.135 32.532 1.00 64.89 ? 977 ARG A CZ 1 \nATOM 2216 N NH1 . ARG A 1 285 ? 18.720 1.429 32.275 1.00 58.85 ? 977 ARG A NH1 1 \nATOM 2217 N NH2 . ARG A 1 285 ? 16.465 1.744 32.016 1.00 46.96 ? 977 ARG A NH2 1 \nATOM 2218 N N . TYR A 1 286 ? 17.904 9.187 33.354 1.00 45.93 ? 978 TYR A N 1 \nATOM 2219 C CA . TYR A 1 286 ? 18.962 9.530 32.383 1.00 38.90 ? 978 TYR A CA 1 \nATOM 2220 C C . TYR A 1 286 ? 19.665 10.872 32.595 1.00 39.82 ? 978 TYR A C 1 \nATOM 2221 O O . TYR A 1 286 ? 20.848 11.039 32.216 1.00 32.24 ? 978 TYR A O 1 \nATOM 2222 C CB . TYR A 1 286 ? 18.411 9.401 30.966 1.00 35.50 ? 978 TYR A CB 1 \nATOM 2223 C CG . TYR A 1 286 ? 17.969 7.990 30.665 1.00 38.93 ? 978 TYR A CG 1 \nATOM 2224 C CD1 . TYR A 1 286 ? 16.619 7.628 30.743 1.00 41.70 ? 978 TYR A CD1 1 \nATOM 2225 C CD2 . TYR A 1 286 ? 18.900 7.009 30.321 1.00 39.01 ? 978 TYR A CD2 1 \nATOM 2226 C CE1 . TYR A 1 286 ? 16.211 6.324 30.474 1.00 40.99 ? 978 TYR A CE1 1 \nATOM 2227 C CE2 . TYR A 1 286 ? 18.500 5.699 30.064 1.00 43.77 ? 978 TYR A CE2 1 \nATOM 2228 C CZ . TYR A 1 286 ? 17.154 5.369 30.140 1.00 47.30 ? 978 TYR A CZ 1 \nATOM 2229 O OH . TYR A 1 286 ? 16.756 4.081 29.863 1.00 43.86 ? 978 TYR A OH 1 \nATOM 2230 N N . LEU A 1 287 ? 18.938 11.822 33.181 1.00 32.08 ? 979 LEU A N 1 \nATOM 2231 C CA . LEU A 1 287 ? 19.534 13.110 33.578 1.00 32.15 ? 979 LEU A CA 1 \nATOM 2232 C C . LEU A 1 287 ? 19.379 13.331 35.074 1.00 37.34 ? 979 LEU A C 1 \nATOM 2233 O O . LEU A 1 287 ? 18.300 13.095 35.640 1.00 40.97 ? 979 LEU A O 1 \nATOM 2234 C CB . LEU A 1 287 ? 18.920 14.286 32.787 1.00 32.90 ? 979 LEU A CB 1 \nATOM 2235 C CG . LEU A 1 287 ? 19.028 14.222 31.257 1.00 37.92 ? 979 LEU A CG 1 \nATOM 2236 C CD1 . LEU A 1 287 ? 18.289 15.375 30.604 1.00 34.76 ? 979 LEU A CD1 1 \nATOM 2237 C CD2 . LEU A 1 287 ? 20.481 14.218 30.787 1.00 30.23 ? 979 LEU A CD2 1 \nATOM 2238 N N . VAL A 1 288 ? 20.460 13.780 35.710 1.00 35.35 ? 980 VAL A N 1 \nATOM 2239 C CA . VAL A 1 288 ? 20.490 14.006 37.150 1.00 41.00 ? 980 VAL A CA 1 \nATOM 2240 C C . VAL A 1 288 ? 20.533 15.506 37.424 1.00 40.10 ? 980 VAL A C 1 \nATOM 2241 O O . VAL A 1 288 ? 21.585 16.134 37.309 1.00 40.40 ? 980 VAL A O 1 \nATOM 2242 C CB . VAL A 1 288 ? 21.692 13.297 37.827 1.00 41.35 ? 980 VAL A CB 1 \nATOM 2243 C CG1 . VAL A 1 288 ? 21.594 13.413 39.343 1.00 47.67 ? 980 VAL A CG1 1 \nATOM 2244 C CG2 . VAL A 1 288 ? 21.748 11.832 37.428 1.00 44.11 ? 980 VAL A CG2 1 \nATOM 2245 N N . ILE A 1 289 ? 19.380 16.067 37.785 1.00 38.21 ? 981 ILE A N 1 \nATOM 2246 C CA . ILE A 1 289 ? 19.229 17.500 38.005 1.00 41.44 ? 981 ILE A CA 1 \nATOM 2247 C C . ILE A 1 289 ? 18.665 17.708 39.411 1.00 50.08 ? 981 ILE A C 1 \nATOM 2248 O O . ILE A 1 289 ? 17.603 17.179 39.731 1.00 46.16 ? 981 ILE A O 1 \nATOM 2249 C CB . ILE A 1 289 ? 18.273 18.126 36.956 1.00 43.63 ? 981 ILE A CB 1 \nATOM 2250 C CG1 . ILE A 1 289 ? 18.811 17.912 35.526 1.00 40.45 ? 981 ILE A CG1 1 \nATOM 2251 C CG2 . ILE A 1 289 ? 18.020 19.603 37.244 1.00 44.86 ? 981 ILE A CG2 1 \nATOM 2252 C CD1 . ILE A 1 289 ? 17.808 18.200 34.428 1.00 44.41 ? 981 ILE A CD1 1 \nATOM 2253 N N . GLN A 1 290 ? 19.367 18.469 40.247 1.00 50.83 ? 982 GLN A N 1 \nATOM 2254 C CA . GLN A 1 290 ? 18.880 18.741 41.600 1.00 51.62 ? 982 GLN A CA 1 \nATOM 2255 C C . GLN A 1 290 ? 17.574 19.526 41.551 1.00 55.46 ? 982 GLN A C 1 \nATOM 2256 O O . GLN A 1 290 ? 17.480 20.552 40.874 1.00 57.81 ? 982 GLN A O 1 \nATOM 2257 C CB . GLN A 1 290 ? 19.919 19.503 42.417 1.00 66.60 ? 982 GLN A CB 1 \nATOM 2258 C CG . GLN A 1 290 ? 19.629 19.481 43.912 1.00 84.41 ? 982 GLN A CG 1 \nATOM 2259 C CD . GLN A 1 290 ? 20.596 20.323 44.721 1.00 91.98 ? 982 GLN A CD 1 \nATOM 2260 O OE1 . GLN A 1 290 ? 20.963 21.428 44.321 1.00 79.66 ? 982 GLN A OE1 1 \nATOM 2261 N NE2 . GLN A 1 290 ? 21.005 19.805 45.874 1.00 98.17 ? 982 GLN A NE2 1 \nATOM 2262 N N . GLY A 1 291 ? 16.564 19.031 42.260 1.00 57.34 ? 983 GLY A N 1 \nATOM 2263 C CA . GLY A 1 291 ? 15.272 19.707 42.324 1.00 58.56 ? 983 GLY A CA 1 \nATOM 2264 C C . GLY A 1 291 ? 14.382 19.380 41.140 1.00 64.74 ? 983 GLY A C 1 \nATOM 2265 O O . GLY A 1 291 ? 13.302 19.957 40.991 1.00 57.96 ? 983 GLY A O 1 \nATOM 2266 N N . ASP A 1 292 ? 14.829 18.429 40.319 1.00 58.41 ? 984 ASP A N 1 \nATOM 2267 C CA . ASP A 1 292 ? 14.153 18.052 39.082 1.00 50.51 ? 984 ASP A CA 1 \nATOM 2268 C C . ASP A 1 292 ? 12.631 17.979 39.234 1.00 54.41 ? 984 ASP A C 1 \nATOM 2269 O O . ASP A 1 292 ? 11.900 18.579 38.444 1.00 54.82 ? 984 ASP A O 1 \nATOM 2270 C CB . ASP A 1 292 ? 14.706 16.714 38.572 1.00 41.18 ? 984 ASP A CB 1 \nATOM 2271 C CG . ASP A 1 292 ? 14.494 16.510 37.081 1.00 51.31 ? 984 ASP A CG 1 \nATOM 2272 O OD1 . ASP A 1 292 ? 13.942 17.406 36.407 1.00 55.80 ? 984 ASP A OD1 1 \nATOM 2273 O OD2 . ASP A 1 292 ? 14.890 15.434 36.583 1.00 53.67 ? 984 ASP A OD2 1 \nATOM 2274 N N . GLU A 1 293 ? 12.168 17.250 40.250 1.00 61.44 ? 985 GLU A N 1 \nATOM 2275 C CA . GLU A 1 293 ? 10.734 17.068 40.514 1.00 75.39 ? 985 GLU A CA 1 \nATOM 2276 C C . GLU A 1 293 ? 9.997 18.398 40.742 1.00 70.39 ? 985 GLU A C 1 \nATOM 2277 O O . GLU A 1 293 ? 8.878 18.582 40.260 1.00 71.81 ? 985 GLU A O 1 \nATOM 2278 C CB . GLU A 1 293 ? 10.529 16.127 41.710 1.00 87.47 ? 985 GLU A CB 1 \nATOM 2279 C CG . GLU A 1 293 ? 9.132 15.530 41.829 1.00 106.30 ? 985 GLU A CG 1 \nATOM 2280 C CD . GLU A 1 293 ? 8.910 14.338 40.911 1.00 119.07 ? 985 GLU A CD 1 \nATOM 2281 O OE1 . GLU A 1 293 ? 9.723 13.387 40.948 1.00 109.24 ? 985 GLU A OE1 1 \nATOM 2282 O OE2 . GLU A 1 293 ? 7.911 14.345 40.160 1.00 120.64 ? 985 GLU A OE2 1 \nATOM 2283 N N . ARG A 1 294 ? 10.636 19.315 41.465 1.00 70.04 ? 986 ARG A N 1 \nATOM 2284 C CA . ARG A 1 294 ? 10.063 20.626 41.770 1.00 74.49 ? 986 ARG A CA 1 \nATOM 2285 C C . ARG A 1 294 ? 10.618 21.720 40.852 1.00 82.24 ? 986 ARG A C 1 \nATOM 2286 O O . ARG A 1 294 ? 11.241 22.679 41.317 1.00 98.92 ? 986 ARG A O 1 \nATOM 2287 C CB . ARG A 1 294 ? 10.291 20.990 43.249 1.00 78.16 ? 986 ARG A CB 1 \nATOM 2288 C CG . ARG A 1 294 ? 9.347 20.310 44.236 1.00 89.52 ? 986 ARG A CG 1 \nATOM 2289 C CD . ARG A 1 294 ? 9.857 18.947 44.685 1.00 91.30 ? 986 ARG A CD 1 \nATOM 2290 N NE . ARG A 1 294 ? 10.823 19.046 45.780 1.00 105.11 ? 986 ARG A NE 1 \nATOM 2291 C CZ . ARG A 1 294 ? 10.561 18.740 47.050 1.00 116.04 ? 986 ARG A CZ 1 \nATOM 2292 N NH1 . ARG A 1 294 ? 9.358 18.302 47.404 1.00 113.63 ? 986 ARG A NH1 1 \nATOM 2293 N NH2 . ARG A 1 294 ? 11.509 18.865 47.973 1.00 102.80 ? 986 ARG A NH2 1 \nATOM 2294 N N . MET A 1 295 ? 10.395 21.570 39.548 1.00 81.34 ? 987 MET A N 1 \nATOM 2295 C CA . MET A 1 295 ? 10.823 22.582 38.579 1.00 74.92 ? 987 MET A CA 1 \nATOM 2296 C C . MET A 1 295 ? 9.706 23.056 37.667 1.00 78.05 ? 987 MET A C 1 \nATOM 2297 O O . MET A 1 295 ? 9.112 22.272 36.924 1.00 65.68 ? 987 MET A O 1 \nATOM 2298 C CB . MET A 1 295 ? 12.022 22.112 37.756 1.00 80.36 ? 987 MET A CB 1 \nATOM 2299 C CG . MET A 1 295 ? 13.333 22.695 38.244 1.00 67.52 ? 987 MET A CG 1 \nATOM 2300 S SD . MET A 1 295 ? 14.745 21.861 37.521 1.00 74.21 ? 987 MET A SD 1 \nATOM 2301 C CE . MET A 1 295 ? 16.070 22.517 38.532 1.00 74.56 ? 987 MET A CE 1 \nATOM 2302 N N . HIS A 1 296 ? 9.450 24.356 37.730 1.00 94.20 ? 988 HIS A N 1 \nATOM 2303 C CA . HIS A 1 296 ? 8.340 24.980 37.028 1.00 94.97 ? 988 HIS A CA 1 \nATOM 2304 C C . HIS A 1 296 ? 8.871 25.986 36.014 1.00 76.90 ? 988 HIS A C 1 \nATOM 2305 O O . HIS A 1 296 ? 9.596 26.914 36.376 1.00 78.04 ? 988 HIS A O 1 \nATOM 2306 C CB . HIS A 1 296 ? 7.414 25.673 38.040 1.00 115.88 ? 988 HIS A CB 1 \nATOM 2307 C CG . HIS A 1 296 ? 8.135 26.558 39.016 1.00 132.41 ? 988 HIS A CG 1 \nATOM 2308 N ND1 . HIS A 1 296 ? 8.836 26.062 40.095 1.00 126.55 ? 988 HIS A ND1 1 \nATOM 2309 C CD2 . HIS A 1 296 ? 8.264 27.905 39.071 1.00 128.35 ? 988 HIS A CD2 1 \nATOM 2310 C CE1 . HIS A 1 296 ? 9.366 27.065 40.772 1.00 120.82 ? 988 HIS A CE1 1 \nATOM 2311 N NE2 . HIS A 1 296 ? 9.034 28.194 40.172 1.00 121.40 ? 988 HIS A NE2 1 \nATOM 2312 N N . LEU A 1 297 ? 8.529 25.798 34.744 1.00 61.44 ? 989 LEU A N 1 \nATOM 2313 C CA . LEU A 1 297 ? 8.944 26.763 33.728 1.00 72.63 ? 989 LEU A CA 1 \nATOM 2314 C C . LEU A 1 297 ? 8.065 28.009 33.747 1.00 85.75 ? 989 LEU A C 1 \nATOM 2315 O O . LEU A 1 297 ? 6.834 27.894 33.749 1.00 68.16 ? 989 LEU A O 1 \nATOM 2316 C CB . LEU A 1 297 ? 8.997 26.145 32.325 1.00 67.66 ? 989 LEU A CB 1 \nATOM 2317 C CG . LEU A 1 297 ? 10.311 25.454 31.936 1.00 67.91 ? 989 LEU A CG 1 \nATOM 2318 C CD1 . LEU A 1 297 ? 10.234 25.008 30.488 1.00 65.81 ? 989 LEU A CD1 1 \nATOM 2319 C CD2 . LEU A 1 297 ? 11.531 26.344 32.152 1.00 50.84 ? 989 LEU A CD2 1 \nATOM 2320 N N . PRO A 1 298 ? 8.700 29.202 33.773 1.00 86.52 ? 990 PRO A N 1 \nATOM 2321 C CA . PRO A 1 298 ? 7.985 30.476 33.786 1.00 89.95 ? 990 PRO A CA 1 \nATOM 2322 C C . PRO A 1 298 ? 7.082 30.614 32.576 1.00 85.79 ? 990 PRO A C 1 \nATOM 2323 O O . PRO A 1 298 ? 7.395 30.085 31.505 1.00 80.02 ? 990 PRO A O 1 \nATOM 2324 C CB . PRO A 1 298 ? 9.110 31.515 33.708 1.00 92.65 ? 990 PRO A CB 1 \nATOM 2325 C CG . PRO A 1 298 ? 10.305 30.821 34.259 1.00 91.35 ? 990 PRO A CG 1 \nATOM 2326 C CD . PRO A 1 298 ? 10.161 29.400 33.802 1.00 83.38 ? 990 PRO A CD 1 \nATOM 2327 N N . SER A 1 299 ? 5.965 31.312 32.762 1.00 84.48 ? 991 SER A N 1 \nATOM 2328 C CA . SER A 1 299 ? 5.051 31.639 31.676 1.00 93.44 ? 991 SER A CA 1 \nATOM 2329 C C . SER A 1 299 ? 5.854 32.156 30.482 1.00 92.51 ? 991 SER A C 1 \nATOM 2330 O O . SER A 1 299 ? 6.660 33.080 30.632 1.00 91.73 ? 991 SER A O 1 \nATOM 2331 C CB . SER A 1 299 ? 4.032 32.684 32.138 1.00 98.17 ? 991 SER A CB 1 \nATOM 2332 O OG . SER A 1 299 ? 3.057 32.924 31.141 1.00 92.32 ? 991 SER A OG 1 \nATOM 2333 N N . PRO A 1 300 ? 5.655 31.541 29.299 1.00 96.28 ? 992 PRO A N 1 \nATOM 2334 C CA . PRO A 1 300 ? 6.471 31.836 28.118 1.00 93.22 ? 992 PRO A CA 1 \nATOM 2335 C C . PRO A 1 300 ? 6.521 33.327 27.773 1.00 101.42 ? 992 PRO A C 1 \nATOM 2336 O O . PRO A 1 300 ? 7.588 33.832 27.417 1.00 105.40 ? 992 PRO A O 1 \nATOM 2337 C CB . PRO A 1 300 ? 5.781 31.044 26.999 1.00 89.86 ? 992 PRO A CB 1 \nATOM 2338 C CG . PRO A 1 300 ? 5.037 29.959 27.697 1.00 95.22 ? 992 PRO A CG 1 \nATOM 2339 C CD . PRO A 1 300 ? 4.610 30.540 29.012 1.00 100.69 ? 992 PRO A CD 1 \nATOM 2340 N N . THR A 1 301 ? 5.386 34.019 27.896 1.00 81.78 ? 993 THR A N 1 \nATOM 2341 C CA . THR A 1 301 ? 5.290 35.439 27.527 1.00 91.40 ? 993 THR A CA 1 \nATOM 2342 C C . THR A 1 301 ? 5.809 36.395 28.607 1.00 106.34 ? 993 THR A C 1 \nATOM 2343 O O . THR A 1 301 ? 5.974 37.594 28.355 1.00 103.45 ? 993 THR A O 1 \nATOM 2344 C CB . THR A 1 301 ? 3.857 35.833 27.114 1.00 90.34 ? 993 THR A CB 1 \nATOM 2345 O OG1 . THR A 1 301 ? 2.911 35.171 27.963 1.00 97.10 ? 993 THR A OG1 1 \nATOM 2346 C CG2 . THR A 1 301 ? 3.590 35.439 25.666 1.00 85.30 ? 993 THR A CG2 1 \nATOM 2347 N N . ASP A 1 302 ? 6.066 35.861 29.800 1.00 111.43 ? 994 ASP A N 1 \nATOM 2348 C CA . ASP A 1 302 ? 6.711 36.622 30.869 1.00 102.16 ? 994 ASP A CA 1 \nATOM 2349 C C . ASP A 1 302 ? 8.228 36.642 30.686 1.00 91.62 ? 994 ASP A C 1 \nATOM 2350 O O . ASP A 1 302 ? 8.942 37.286 31.459 1.00 91.58 ? 994 ASP A O 1 \nATOM 2351 C CB . ASP A 1 302 ? 6.352 36.050 32.248 1.00 102.74 ? 994 ASP A CB 1 \nATOM 2352 C CG . ASP A 1 302 ? 4.889 36.266 32.618 1.00 109.76 ? 994 ASP A CG 1 \nATOM 2353 O OD1 . ASP A 1 302 ? 4.078 36.622 31.733 1.00 97.63 ? 994 ASP A OD1 1 \nATOM 2354 O OD2 . ASP A 1 302 ? 4.551 36.072 33.807 1.00 97.59 ? 994 ASP A OD2 1 \nATOM 2355 N N . SER A 1 303 ? 8.716 35.937 29.664 1.00 82.22 ? 995 SER A N 1 \nATOM 2356 C CA . SER A 1 303 ? 10.146 35.925 29.364 1.00 72.60 ? 995 SER A CA 1 \nATOM 2357 C C . SER A 1 303 ? 10.578 37.299 28.878 1.00 75.53 ? 995 SER A C 1 \nATOM 2358 O O . SER A 1 303 ? 9.802 38.037 28.253 1.00 70.58 ? 995 SER A O 1 \nATOM 2359 C CB . SER A 1 303 ? 10.526 34.838 28.336 1.00 76.40 ? 995 SER A CB 1 \nATOM 2360 O OG . SER A 1 303 ? 10.649 35.348 27.010 1.00 56.44 ? 995 SER A OG 1 \nATOM 2361 N N . ASN A 1 304 ? 11.823 37.631 29.181 1.00 70.57 ? 996 ASN A N 1 \nATOM 2362 C CA . ASN A 1 304 ? 12.399 38.885 28.758 1.00 73.99 ? 996 ASN A CA 1 \nATOM 2363 C C . ASN A 1 304 ? 12.426 38.999 27.234 1.00 75.58 ? 996 ASN A C 1 \nATOM 2364 O O . ASN A 1 304 ? 12.012 40.027 26.679 1.00 73.07 ? 996 ASN A O 1 \nATOM 2365 C CB . ASN A 1 304 ? 13.791 39.042 29.372 1.00 63.63 ? 996 ASN A CB 1 \nATOM 2366 C CG . ASN A 1 304 ? 13.744 39.179 30.887 1.00 74.59 ? 996 ASN A CG 1 \nATOM 2367 O OD1 . ASN A 1 304 ? 12.766 39.689 31.448 1.00 68.42 ? 996 ASN A OD1 1 \nATOM 2368 N ND2 . ASN A 1 304 ? 14.799 38.723 31.558 1.00 60.65 ? 996 ASN A ND2 1 \nATOM 2369 N N . PHE A 1 305 ? 12.862 37.923 26.570 1.00 67.63 ? 997 PHE A N 1 \nATOM 2370 C CA . PHE A 1 305 ? 13.005 37.907 25.112 1.00 45.42 ? 997 PHE A CA 1 \nATOM 2371 C C . PHE A 1 305 ? 11.723 38.287 24.381 1.00 51.92 ? 997 PHE A C 1 \nATOM 2372 O O . PHE A 1 305 ? 11.767 39.103 23.461 1.00 62.38 ? 997 PHE A O 1 \nATOM 2373 C CB . PHE A 1 305 ? 13.574 36.568 24.597 1.00 55.03 ? 997 PHE A CB 1 \nATOM 2374 C CG . PHE A 1 305 ? 14.234 36.683 23.247 1.00 45.20 ? 997 PHE A CG 1 \nATOM 2375 C CD1 . PHE A 1 305 ? 13.478 36.619 22.079 1.00 41.23 ? 997 PHE A CD1 1 \nATOM 2376 C CD2 . PHE A 1 305 ? 15.601 36.904 23.143 1.00 48.66 ? 997 PHE A CD2 1 \nATOM 2377 C CE1 . PHE A 1 305 ? 14.070 36.757 20.831 1.00 36.44 ? 997 PHE A CE1 1 \nATOM 2378 C CE2 . PHE A 1 305 ? 16.208 37.047 21.903 1.00 48.46 ? 997 PHE A CE2 1 \nATOM 2379 C CZ . PHE A 1 305 ? 15.445 36.979 20.742 1.00 37.79 ? 997 PHE A CZ 1 \nATOM 2380 N N . TYR A 1 306 ? 10.589 37.715 24.789 1.00 43.98 ? 998 TYR A N 1 \nATOM 2381 C CA . TYR A 1 306 ? 9.319 37.981 24.111 1.00 50.06 ? 998 TYR A CA 1 \nATOM 2382 C C . TYR A 1 306 ? 8.932 39.466 24.207 1.00 52.66 ? 998 TYR A C 1 \nATOM 2383 O O . TYR A 1 306 ? 8.694 40.110 23.181 1.00 50.37 ? 998 TYR A O 1 \nATOM 2384 C CB . TYR A 1 306 ? 8.182 37.087 24.631 1.00 50.26 ? 998 TYR A CB 1 \nATOM 2385 C CG . TYR A 1 306 ? 6.861 37.329 23.917 1.00 53.59 ? 998 TYR A CG 1 \nATOM 2386 C CD1 . TYR A 1 306 ? 6.503 36.573 22.808 1.00 65.72 ? 998 TYR A CD1 1 \nATOM 2387 C CD2 . TYR A 1 306 ? 5.975 38.320 24.349 1.00 66.46 ? 998 TYR A CD2 1 \nATOM 2388 C CE1 . TYR A 1 306 ? 5.305 36.785 22.146 1.00 71.54 ? 998 TYR A CE1 1 \nATOM 2389 C CE2 . TYR A 1 306 ? 4.776 38.545 23.691 1.00 67.06 ? 998 TYR A CE2 1 \nATOM 2390 C CZ . TYR A 1 306 ? 4.445 37.775 22.590 1.00 81.38 ? 998 TYR A CZ 1 \nATOM 2391 O OH . TYR A 1 306 ? 3.255 37.987 21.927 1.00 83.86 ? 998 TYR A OH 1 \nATOM 2392 N N . ARG A 1 307 ? 8.874 39.991 25.432 1.00 56.42 ? 999 ARG A N 1 \nATOM 2393 C CA . ARG A 1 307 ? 8.503 41.399 25.661 1.00 66.76 ? 999 ARG A CA 1 \nATOM 2394 C C . ARG A 1 307 ? 9.413 42.378 24.905 1.00 72.09 ? 999 ARG A C 1 \nATOM 2395 O O . ARG A 1 307 ? 8.908 43.316 24.264 1.00 54.14 ? 999 ARG A O 1 \nATOM 2396 C CB . ARG A 1 307 ? 8.470 41.731 27.157 1.00 75.45 ? 999 ARG A CB 1 \nATOM 2397 C CG . ARG A 1 307 ? 7.216 41.268 27.883 1.00 74.94 ? 999 ARG A CG 1 \nATOM 2398 C CD . ARG A 1 307 ? 7.080 41.993 29.214 1.00 92.57 ? 999 ARG A CD 1 \nATOM 2399 N NE . ARG A 1 307 ? 5.868 41.637 29.954 1.00 100.40 ? 999 ARG A NE 1 \nATOM 2400 C CZ . ARG A 1 307 ? 4.684 42.235 29.815 1.00 91.52 ? 999 ARG A CZ 1 \nATOM 2401 N NH1 . ARG A 1 307 ? 3.653 41.834 30.548 1.00 82.09 ? 999 ARG A NH1 1 \nATOM 2402 N NH2 . ARG A 1 307 ? 4.521 43.229 28.948 1.00 73.74 ? 999 ARG A NH2 1 \nATOM 2403 N N . ALA A 1 308 ? 10.733 42.126 24.981 1.00 57.15 ? 1000 ALA A N 1 \nATOM 2404 C CA . ALA A 1 308 ? 11.789 42.855 24.248 1.00 68.38 ? 1000 ALA A CA 1 \nATOM 2405 C C . ALA A 1 308 ? 11.556 42.981 22.738 1.00 71.95 ? 1000 ALA A C 1 \nATOM 2406 O O . ALA A 1 308 ? 12.022 43.944 22.112 1.00 65.03 ? 1000 ALA A O 1 \nATOM 2407 C CB . ALA A 1 308 ? 13.165 42.217 24.502 1.00 40.39 ? 1000 ALA A CB 1 \nATOM 2408 N N . LEU A 1 309 ? 10.858 42.001 22.161 1.00 46.21 ? 1001 LEU A N 1 \nATOM 2409 C CA . LEU A 1 309 ? 10.599 41.970 20.736 1.00 40.49 ? 1001 LEU A CA 1 \nATOM 2410 C C . LEU A 1 309 ? 9.259 42.576 20.348 1.00 53.57 ? 1001 LEU A C 1 \nATOM 2411 O O . LEU A 1 309 ? 9.165 43.282 19.337 1.00 53.84 ? 1001 LEU A O 1 \nATOM 2412 C CB . LEU A 1 309 ? 10.631 40.517 20.238 1.00 45.77 ? 1001 LEU A CB 1 \nATOM 2413 C CG . LEU A 1 309 ? 11.848 40.057 19.447 1.00 44.23 ? 1001 LEU A CG 1 \nATOM 2414 C CD1 . LEU A 1 309 ? 13.080 40.042 20.339 1.00 48.87 ? 1001 LEU A CD1 1 \nATOM 2415 C CD2 . LEU A 1 309 ? 11.594 38.682 18.855 1.00 41.26 ? 1001 LEU A CD2 1 \nATOM 2416 N N . MET A 1 310 ? 8.227 42.280 21.138 1.00 53.10 ? 1002 MET A N 1 \nATOM 2417 C CA . MET A 1 310 ? 6.840 42.522 20.706 1.00 62.26 ? 1002 MET A CA 1 \nATOM 2418 C C . MET A 1 310 ? 6.179 43.786 21.256 1.00 69.68 ? 1002 MET A C 1 \nATOM 2419 O O . MET A 1 310 ? 5.263 44.326 20.625 1.00 61.34 ? 1002 MET A O 1 \nATOM 2420 C CB . MET A 1 310 ? 5.961 41.304 21.002 1.00 58.73 ? 1002 MET A CB 1 \nATOM 2421 C CG . MET A 1 310 ? 6.454 39.993 20.406 1.00 69.22 ? 1002 MET A CG 1 \nATOM 2422 S SD . MET A 1 310 ? 6.912 40.077 18.661 1.00 66.89 ? 1002 MET A SD 1 \nATOM 2423 C CE . MET A 1 310 ? 5.350 40.495 17.883 1.00 72.08 ? 1002 MET A CE 1 \nATOM 2424 N N . ASP A 1 311 ? 6.640 44.251 22.416 1.00 73.79 ? 1003 ASP A N 1 \nATOM 2425 C CA . ASP A 1 311 ? 6.024 45.404 23.095 1.00 93.71 ? 1003 ASP A CA 1 \nATOM 2426 C C . ASP A 1 311 ? 6.280 46.765 22.430 1.00 87.67 ? 1003 ASP A C 1 \nATOM 2427 O O . ASP A 1 311 ? 5.575 47.736 22.721 1.00 88.50 ? 1003 ASP A O 1 \nATOM 2428 C CB . ASP A 1 311 ? 6.420 45.449 24.578 1.00 89.49 ? 1003 ASP A CB 1 \nATOM 2429 C CG . ASP A 1 311 ? 5.643 44.452 25.426 1.00 94.17 ? 1003 ASP A CG 1 \nATOM 2430 O OD1 . ASP A 1 311 ? 5.332 43.344 24.936 1.00 89.80 ? 1003 ASP A OD1 1 \nATOM 2431 O OD2 . ASP A 1 311 ? 5.350 44.779 26.596 1.00 109.80 ? 1003 ASP A OD2 1 \nATOM 2432 N N . GLU A 1 312 ? 7.276 46.830 21.546 1.00 85.41 ? 1004 GLU A N 1 \nATOM 2433 C CA . GLU A 1 312 ? 7.565 48.046 20.781 1.00 93.45 ? 1004 GLU A CA 1 \nATOM 2434 C C . GLU A 1 312 ? 6.314 48.554 20.060 1.00 91.45 ? 1004 GLU A C 1 \nATOM 2435 O O . GLU A 1 312 ? 5.539 47.762 19.520 1.00 82.23 ? 1004 GLU A O 1 \nATOM 2436 C CB . GLU A 1 312 ? 8.690 47.788 19.775 1.00 93.39 ? 1004 GLU A CB 1 \nATOM 2437 C CG . GLU A 1 312 ? 9.148 49.021 19.005 1.00 94.09 ? 1004 GLU A CG 1 \nATOM 2438 C CD . GLU A 1 312 ? 10.248 48.715 18.005 1.00 101.52 ? 1004 GLU A CD 1 \nATOM 2439 O OE1 . GLU A 1 312 ? 10.530 49.583 17.147 1.00 80.73 ? 1004 GLU A OE1 1 \nATOM 2440 O OE2 . GLU A 1 312 ? 10.832 47.611 18.072 1.00 81.92 ? 1004 GLU A OE2 1 \nATOM 2441 N N . GLU A 1 313 ? 6.126 49.874 20.064 1.00 95.81 ? 1005 GLU A N 1 \nATOM 2442 C CA . GLU A 1 313 ? 4.944 50.509 19.468 1.00 104.88 ? 1005 GLU A CA 1 \nATOM 2443 C C . GLU A 1 313 ? 4.859 50.336 17.949 1.00 106.59 ? 1005 GLU A C 1 \nATOM 2444 O O . GLU A 1 313 ? 3.762 50.332 17.384 1.00 111.84 ? 1005 GLU A O 1 \nATOM 2445 C CB . GLU A 1 313 ? 4.872 51.991 19.851 1.00 104.00 ? 1005 GLU A CB 1 \nATOM 2446 C CG . GLU A 1 313 ? 4.303 52.231 21.243 1.00 107.89 ? 1005 GLU A CG 1 \nATOM 2447 C CD . GLU A 1 313 ? 4.496 53.654 21.742 1.00 110.98 ? 1005 GLU A CD 1 \nATOM 2448 O OE1 . GLU A 1 313 ? 4.178 53.906 22.925 1.00 95.43 ? 1005 GLU A OE1 1 \nATOM 2449 O OE2 . GLU A 1 313 ? 4.963 54.518 20.966 1.00 103.24 ? 1005 GLU A OE2 1 \nATOM 2450 N N . ASP A 1 314 ? 6.016 50.190 17.301 1.00 117.69 ? 1006 ASP A N 1 \nATOM 2451 C CA . ASP A 1 314 ? 6.085 49.910 15.862 1.00 122.83 ? 1006 ASP A CA 1 \nATOM 2452 C C . ASP A 1 314 ? 5.346 48.617 15.502 1.00 114.70 ? 1006 ASP A C 1 \nATOM 2453 O O . ASP A 1 314 ? 4.738 48.520 14.432 1.00 108.57 ? 1006 ASP A O 1 \nATOM 2454 C CB . ASP A 1 314 ? 7.541 49.857 15.382 1.00 123.65 ? 1006 ASP A CB 1 \nATOM 2455 C CG . ASP A 1 314 ? 8.165 51.241 15.222 1.00 120.44 ? 1006 ASP A CG 1 \nATOM 2456 O OD1 . ASP A 1 314 ? 7.426 52.226 15.000 1.00 108.22 ? 1006 ASP A OD1 1 \nATOM 2457 O OD2 . ASP A 1 314 ? 9.407 51.342 15.307 1.00 108.51 ? 1006 ASP A OD2 1 \nATOM 2458 N N . MET A 1 315 ? 5.403 47.637 16.405 1.00 95.23 ? 1007 MET A N 1 \nATOM 2459 C CA . MET A 1 315 ? 4.582 46.431 16.311 1.00 90.94 ? 1007 MET A CA 1 \nATOM 2460 C C . MET A 1 315 ? 3.162 46.781 16.768 1.00 99.19 ? 1007 MET A C 1 \nATOM 2461 O O . MET A 1 315 ? 2.757 46.435 17.880 1.00 109.79 ? 1007 MET A O 1 \nATOM 2462 C CB . MET A 1 315 ? 5.163 45.292 17.172 1.00 83.16 ? 1007 MET A CB 1 \nATOM 2463 C CG . MET A 1 315 ? 6.685 45.153 17.169 1.00 67.00 ? 1007 MET A CG 1 \nATOM 2464 S SD . MET A 1 315 ? 7.428 44.700 15.581 1.00 68.15 ? 1007 MET A SD 1 \nATOM 2465 C CE . MET A 1 315 ? 6.871 43.001 15.382 1.00 58.33 ? 1007 MET A CE 1 \nATOM 2466 N N . ASP A 1 316 ? 2.420 47.477 15.905 1.00 111.50 ? 1008 ASP A N 1 \nATOM 2467 C CA . ASP A 1 316 ? 1.107 48.039 16.253 1.00 111.00 ? 1008 ASP A CA 1 \nATOM 2468 C C . ASP A 1 316 ? 0.024 46.965 16.422 1.00 105.42 ? 1008 ASP A C 1 \nATOM 2469 O O . ASP A 1 316 ? -0.178 46.451 17.524 1.00 105.28 ? 1008 ASP A O 1 \nATOM 2470 C CB . ASP A 1 316 ? 0.682 49.099 15.220 1.00 123.41 ? 1008 ASP A CB 1 \nATOM 2471 C CG . ASP A 1 316 ? -0.499 49.949 15.690 1.00 120.55 ? 1008 ASP A CG 1 \nATOM 2472 O OD1 . ASP A 1 316 ? -1.629 49.728 15.200 1.00 80.53 ? 1008 ASP A OD1 1 \nATOM 2473 O OD2 . ASP A 1 316 ? -0.301 50.839 16.547 1.00 117.47 ? 1008 ASP A OD2 1 \nATOM 2474 N N . ASP A 1 317 ? -0.672 46.641 15.333 1.00 102.23 ? 1009 ASP A N 1 \nATOM 2475 C CA . ASP A 1 317 ? -1.728 45.629 15.348 1.00 100.67 ? 1009 ASP A CA 1 \nATOM 2476 C C . ASP A 1 317 ? -1.355 44.501 14.390 1.00 93.72 ? 1009 ASP A C 1 \nATOM 2477 O O . ASP A 1 317 ? -1.402 44.671 13.165 1.00 74.22 ? 1009 ASP A O 1 \nATOM 2478 C CB . ASP A 1 317 ? -3.084 46.245 14.971 1.00 101.82 ? 1009 ASP A CB 1 \nATOM 2479 C CG . ASP A 1 317 ? -3.662 47.128 16.072 1.00 113.32 ? 1009 ASP A CG 1 \nATOM 2480 O OD1 . ASP A 1 317 ? -4.035 48.284 15.777 1.00 104.40 ? 1009 ASP A OD1 1 \nATOM 2481 O OD2 . ASP A 1 317 ? -3.754 46.668 17.231 1.00 113.63 ? 1009 ASP A OD2 1 \nATOM 2482 N N . VAL A 1 318 ? -0.985 43.353 14.957 1.00 93.07 ? 1010 VAL A N 1 \nATOM 2483 C CA . VAL A 1 318 ? -0.383 42.257 14.187 1.00 80.23 ? 1010 VAL A CA 1 \nATOM 2484 C C . VAL A 1 318 ? -1.136 40.925 14.278 1.00 79.25 ? 1010 VAL A C 1 \nATOM 2485 O O . VAL A 1 318 ? -1.857 40.676 15.248 1.00 78.35 ? 1010 VAL A O 1 \nATOM 2486 C CB . VAL A 1 318 ? 1.103 42.050 14.572 1.00 82.37 ? 1010 VAL A CB 1 \nATOM 2487 C CG1 . VAL A 1 318 ? 1.915 43.299 14.251 1.00 87.87 ? 1010 VAL A CG1 1 \nATOM 2488 C CG2 . VAL A 1 318 ? 1.248 41.678 16.045 1.00 79.77 ? 1010 VAL A CG2 1 \nATOM 2489 N N . VAL A 1 319 ? -0.963 40.087 13.251 1.00 68.99 ? 1011 VAL A N 1 \nATOM 2490 C CA . VAL A 1 319 ? -1.523 38.727 13.204 1.00 64.51 ? 1011 VAL A CA 1 \nATOM 2491 C C . VAL A 1 319 ? -0.404 37.704 12.973 1.00 77.21 ? 1011 VAL A C 1 \nATOM 2492 O O . VAL A 1 319 ? 0.322 37.780 11.976 1.00 67.63 ? 1011 VAL A O 1 \nATOM 2493 C CB . VAL A 1 319 ? -2.604 38.567 12.100 1.00 69.31 ? 1011 VAL A CB 1 \nATOM 2494 C CG1 . VAL A 1 319 ? -3.068 37.117 11.995 1.00 73.03 ? 1011 VAL A CG1 1 \nATOM 2495 C CG2 . VAL A 1 319 ? -3.800 39.476 12.359 1.00 60.85 ? 1011 VAL A CG2 1 \nATOM 2496 N N . ASP A 1 320 ? -0.283 36.751 13.898 1.00 78.10 ? 1012 ASP A N 1 \nATOM 2497 C CA . ASP A 1 320 ? 0.709 35.675 13.829 1.00 78.78 ? 1012 ASP A CA 1 \nATOM 2498 C C . ASP A 1 320 ? 0.619 34.932 12.495 1.00 74.28 ? 1012 ASP A C 1 \nATOM 2499 O O . ASP A 1 320 ? -0.485 34.665 12.006 1.00 66.35 ? 1012 ASP A O 1 \nATOM 2500 C CB . ASP A 1 320 ? 0.493 34.703 14.996 1.00 81.42 ? 1012 ASP A CB 1 \nATOM 2501 C CG . ASP A 1 320 ? 1.685 33.798 15.237 1.00 99.02 ? 1012 ASP A CG 1 \nATOM 2502 O OD1 . ASP A 1 320 ? 2.690 34.271 15.810 1.00 104.15 ? 1012 ASP A OD1 1 \nATOM 2503 O OD2 . ASP A 1 320 ? 1.608 32.606 14.874 1.00 101.05 ? 1012 ASP A OD2 1 \nATOM 2504 N N . ALA A 1 321 ? 1.772 34.604 11.907 1.00 52.96 ? 1013 ALA A N 1 \nATOM 2505 C CA . ALA A 1 321 ? 1.813 33.912 10.605 1.00 59.48 ? 1013 ALA A CA 1 \nATOM 2506 C C . ALA A 1 321 ? 1.024 32.597 10.556 1.00 67.96 ? 1013 ALA A C 1 \nATOM 2507 O O . ALA A 1 321 ? 0.465 32.243 9.508 1.00 66.31 ? 1013 ALA A O 1 \nATOM 2508 C CB . ALA A 1 321 ? 3.243 33.702 10.139 1.00 62.75 ? 1013 ALA A CB 1 \nATOM 2509 N N . ASP A 1 322 ? 0.985 31.884 11.684 1.00 59.70 ? 1014 ASP A N 1 \nATOM 2510 C CA . ASP A 1 322 ? 0.200 30.654 11.812 1.00 74.24 ? 1014 ASP A CA 1 \nATOM 2511 C C . ASP A 1 322 ? -1.300 30.913 11.667 1.00 74.57 ? 1014 ASP A C 1 \nATOM 2512 O O . ASP A 1 322 ? -2.018 30.130 11.040 1.00 82.55 ? 1014 ASP A O 1 \nATOM 2513 C CB . ASP A 1 322 ? 0.476 29.981 13.160 1.00 83.80 ? 1014 ASP A CB 1 \nATOM 2514 C CG . ASP A 1 322 ? 1.930 29.578 13.328 1.00 86.76 ? 1014 ASP A CG 1 \nATOM 2515 O OD1 . ASP A 1 322 ? 2.458 29.709 14.454 1.00 96.46 ? 1014 ASP A OD1 1 \nATOM 2516 O OD2 . ASP A 1 322 ? 2.546 29.131 12.339 1.00 92.15 ? 1014 ASP A OD2 1 \nATOM 2517 N N . GLU A 1 323 ? -1.762 32.013 12.255 1.00 69.63 ? 1015 GLU A N 1 \nATOM 2518 C CA . GLU A 1 323 ? -3.169 32.406 12.205 1.00 84.01 ? 1015 GLU A CA 1 \nATOM 2519 C C . GLU A 1 323 ? -3.563 32.965 10.830 1.00 81.26 ? 1015 GLU A C 1 \nATOM 2520 O O . GLU A 1 323 ? -4.711 32.817 10.401 1.00 75.65 ? 1015 GLU A O 1 \nATOM 2521 C CB . GLU A 1 323 ? -3.466 33.432 13.304 1.00 89.15 ? 1015 GLU A CB 1 \nATOM 2522 C CG . GLU A 1 323 ? -4.941 33.592 13.645 1.00 106.04 ? 1015 GLU A CG 1 \nATOM 2523 C CD . GLU A 1 323 ? -5.193 34.639 14.717 1.00 119.25 ? 1015 GLU A CD 1 \nATOM 2524 O OE1 . GLU A 1 323 ? -4.251 34.982 15.465 1.00 124.44 ? 1015 GLU A OE1 1 \nATOM 2525 O OE2 . GLU A 1 323 ? -6.342 35.119 14.814 1.00 124.84 ? 1015 GLU A OE2 1 \nATOM 2526 N N . TYR A 1 324 ? -2.609 33.605 10.154 1.00 71.06 ? 1016 TYR A N 1 \nATOM 2527 C CA . TYR A 1 324 ? -2.825 34.180 8.825 1.00 72.33 ? 1016 TYR A CA 1 \nATOM 2528 C C . TYR A 1 324 ? -2.791 33.132 7.709 1.00 74.97 ? 1016 TYR A C 1 \nATOM 2529 O O . TYR A 1 324 ? -3.570 33.223 6.756 1.00 81.17 ? 1016 TYR A O 1 \nATOM 2530 C CB . TYR A 1 324 ? -1.810 35.297 8.549 1.00 84.93 ? 1016 TYR A CB 1 \nATOM 2531 C CG . TYR A 1 324 ? -1.665 35.681 7.088 1.00 86.99 ? 1016 TYR A CG 1 \nATOM 2532 C CD1 . TYR A 1 324 ? -0.805 34.974 6.243 1.00 91.38 ? 1016 TYR A CD1 1 \nATOM 2533 C CD2 . TYR A 1 324 ? -2.379 36.754 6.552 1.00 79.32 ? 1016 TYR A CD2 1 \nATOM 2534 C CE1 . TYR A 1 324 ? -0.668 35.316 4.908 1.00 95.57 ? 1016 TYR A CE1 1 \nATOM 2535 C CE2 . TYR A 1 324 ? -2.244 37.108 5.217 1.00 82.46 ? 1016 TYR A CE2 1 \nATOM 2536 C CZ . TYR A 1 324 ? -1.387 36.385 4.400 1.00 97.13 ? 1016 TYR A CZ 1 \nATOM 2537 O OH . TYR A 1 324 ? -1.236 36.717 3.072 1.00 93.34 ? 1016 TYR A OH 1 \nATOM 2538 N N . LEU A 1 325 ? -1.889 32.157 7.823 1.00 79.31 ? 1017 LEU A N 1 \nATOM 2539 C CA . LEU A 1 325 ? -1.752 31.089 6.826 1.00 78.37 ? 1017 LEU A CA 1 \nATOM 2540 C C . LEU A 1 325 ? -2.418 29.794 7.290 1.00 79.78 ? 1017 LEU A C 1 \nATOM 2541 O O . LEU A 1 325 ? -3.584 29.532 6.982 1.00 86.61 ? 1017 LEU A O 1 \nATOM 2542 C CB . LEU A 1 325 ? -0.272 30.850 6.492 1.00 96.14 ? 1017 LEU A CB 1 \nATOM 2543 C CG . LEU A 1 325 ? 0.143 29.601 5.697 1.00 116.26 ? 1017 LEU A CG 1 \nATOM 2544 C CD1 . LEU A 1 325 ? -0.313 29.652 4.243 1.00 121.68 ? 1017 LEU A CD1 1 \nATOM 2545 C CD2 . LEU A 1 325 ? 1.648 29.383 5.783 1.00 110.27 ? 1017 LEU A CD2 1 \nHETATM 2546 C C1 . W32 B 2 . ? 17.523 28.990 5.798 1.00 31.51 ? 1101 W32 A C1 1 \nHETATM 2547 C C2 . W32 B 2 . ? 16.291 28.418 6.080 1.00 30.31 ? 1101 W32 A C2 1 \nHETATM 2548 C C3 . W32 B 2 . ? 17.399 32.400 11.069 1.00 27.58 ? 1101 W32 A C3 1 \nHETATM 2549 C C4 . W32 B 2 . ? 17.766 30.265 6.269 1.00 29.96 ? 1101 W32 A C4 1 \nHETATM 2550 C C5 . W32 B 2 . ? 17.620 31.995 9.772 1.00 28.42 ? 1101 W32 A C5 1 \nHETATM 2551 C C6 . W32 B 2 . ? 15.605 30.408 7.268 1.00 28.58 ? 1101 W32 A C6 1 \nHETATM 2552 C C7 . W32 B 2 . ? 15.786 33.991 10.313 1.00 27.15 ? 1101 W32 A C7 1 \nHETATM 2553 C C8 . W32 B 2 . ? 12.748 33.566 13.379 1.00 31.64 ? 1101 W32 A C8 1 \nHETATM 2554 C C9 . W32 B 2 . ? 14.942 34.492 14.574 1.00 35.19 ? 1101 W32 A C9 1 \nHETATM 2555 C C10 . W32 B 2 . ? 15.370 29.134 6.809 1.00 25.91 ? 1101 W32 A C10 1 \nHETATM 2556 C C11 . W32 B 2 . ? 16.480 33.398 11.352 1.00 28.93 ? 1101 W32 A C11 1 \nHETATM 2557 C C12 . W32 B 2 . ? 16.830 30.965 6.994 1.00 32.48 ? 1101 W32 A C12 1 \nHETATM 2558 C C13 . W32 B 2 . ? 16.923 32.597 8.743 1.00 27.90 ? 1101 W32 A C13 1 \nHETATM 2559 C C14 . W32 B 2 . ? 15.995 33.592 9.009 1.00 29.12 ? 1101 W32 A C14 1 \nHETATM 2560 C C15 . W32 B 2 . ? 13.699 34.562 15.192 1.00 29.35 ? 1101 W32 A C15 1 \nHETATM 2561 C C16 . W32 B 2 . ? 14.989 33.935 13.305 1.00 35.49 ? 1101 W32 A C16 1 \nHETATM 2562 C C17 . W32 B 2 . ? 16.163 35.029 15.170 1.00 34.55 ? 1101 W32 A C17 1 \nHETATM 2563 C C18 . W32 B 2 . ? 16.443 35.196 16.465 1.00 31.64 ? 1101 W32 A C18 1 \nHETATM 2564 C C19 . W32 B 2 . ? 17.734 35.864 16.810 1.00 41.85 ? 1101 W32 A C19 1 \nHETATM 2565 C C20 . W32 B 2 . ? 15.566 34.815 17.582 1.00 34.23 ? 1101 W32 A C20 1 \nHETATM 2566 C C21 . W32 B 2 . ? 14.310 35.640 17.409 1.00 33.52 ? 1101 W32 A C21 1 \nHETATM 2567 C C22 . W32 B 2 . ? 23.039 35.053 18.700 1.00 86.61 ? 1101 W32 A C22 1 \nHETATM 2568 C C23 . W32 B 2 . ? 20.048 36.322 16.157 1.00 53.53 ? 1101 W32 A C23 1 \nHETATM 2569 C C24 . W32 B 2 . ? 20.735 35.538 17.258 1.00 62.21 ? 1101 W32 A C24 1 \nHETATM 2570 C C25 . W32 B 2 . ? 14.038 28.522 7.120 1.00 27.55 ? 1101 W32 A C25 1 \nHETATM 2571 N N26 . W32 B 2 . ? 12.598 34.091 14.590 1.00 29.72 ? 1101 W32 A N26 1 \nHETATM 2572 N N27 . W32 B 2 . ? 13.891 33.461 12.695 1.00 32.32 ? 1101 W32 A N27 1 \nHETATM 2573 N N28 . W32 B 2 . ? 13.391 35.060 16.456 1.00 30.86 ? 1101 W32 A N28 1 \nHETATM 2574 N N29 . W32 B 2 . ? 16.248 33.857 12.650 1.00 28.23 ? 1101 W32 A N29 1 \nHETATM 2575 N N30 . W32 B 2 . ? 18.733 35.791 15.867 1.00 40.18 ? 1101 W32 A N30 1 \nHETATM 2576 O O31 . W32 B 2 . ? 17.835 36.482 17.860 1.00 50.74 ? 1101 W32 A O31 1 \nHETATM 2577 O O32 . W32 B 2 . ? 23.066 36.437 16.489 1.00 63.85 ? 1101 W32 A O32 1 \nHETATM 2578 O O33 . W32 B 2 . ? 21.997 37.443 18.557 1.00 81.42 ? 1101 W32 A O33 1 \nHETATM 2579 O O34 . W32 B 2 . ? 17.118 32.249 7.424 1.00 30.16 ? 1101 W32 A O34 1 \nHETATM 2580 F F35 . W32 B 2 . ? 14.097 27.611 8.115 1.00 35.13 ? 1101 W32 A F35 1 \nHETATM 2581 F F36 . W32 B 2 . ? 13.166 29.438 7.562 1.00 34.11 ? 1101 W32 A F36 1 \nHETATM 2582 F F37 . W32 B 2 . ? 13.559 27.856 6.039 1.00 32.07 ? 1101 W32 A F37 1 \nHETATM 2583 S S38 . W32 B 2 . ? 22.276 36.305 17.700 1.00 84.11 ? 1101 W32 A S38 1 \nHETATM 2584 CL CL1 . W32 B 2 . ? 15.137 34.343 7.702 1.00 34.16 ? 1101 W32 A CL1 1 \nHETATM 2585 S S . SO4 C 3 . ? 28.315 33.136 22.172 1.00 54.09 ? 1102 SO4 A S 1 \nHETATM 2586 O O1 . SO4 C 3 . ? 27.668 33.301 20.863 1.00 50.36 ? 1102 SO4 A O1 1 \nHETATM 2587 O O2 . SO4 C 3 . ? 29.746 33.509 22.064 1.00 60.30 ? 1102 SO4 A O2 1 \nHETATM 2588 O O3 . SO4 C 3 . ? 28.196 31.721 22.585 1.00 45.28 ? 1102 SO4 A O3 1 \nHETATM 2589 O O4 . SO4 C 3 . ? 27.636 33.973 23.182 1.00 70.80 ? 1102 SO4 A O4 1 \nHETATM 2590 O O . HOH D 4 . ? 18.952 33.681 13.748 1.00 30.72 ? 2001 HOH A O 1 \nHETATM 2591 O O . HOH D 4 . ? 35.442 12.036 9.937 1.00 30.09 ? 2002 HOH A O 1 \nHETATM 2592 O O . HOH D 4 . ? 24.978 20.704 10.598 1.00 31.13 ? 2003 HOH A O 1 \nHETATM 2593 O O . HOH D 4 . ? 34.337 20.372 15.165 1.00 28.11 ? 2004 HOH A O 1 \nHETATM 2594 O O . HOH D 4 . ? 6.509 21.354 -6.071 1.00 29.38 ? 2005 HOH A O 1 \nHETATM 2595 O O . HOH D 4 . ? 26.485 18.720 8.106 1.00 30.82 ? 2006 HOH A O 1 \nHETATM 2596 O O . HOH D 4 . ? 20.845 10.119 9.908 1.00 30.60 ? 2007 HOH A O 1 \nHETATM 2597 O O . HOH D 4 . ? 17.257 9.102 9.766 1.00 32.20 ? 2008 HOH A O 1 \nHETATM 2598 O O . HOH D 4 . ? 36.130 7.683 16.487 1.00 38.69 ? 2009 HOH A O 1 \nHETATM 2599 O O . HOH D 4 . ? 13.664 30.957 11.228 1.00 31.50 ? 2010 HOH A O 1 \nHETATM 2600 O O . HOH D 4 . ? 23.367 25.952 6.551 1.00 37.12 ? 2011 HOH A O 1 \nHETATM 2601 O O . HOH D 4 . ? 30.886 28.537 28.215 1.00 40.46 ? 2012 HOH A O 1 \nHETATM 2602 O O . HOH D 4 . ? 32.756 19.653 17.155 1.00 28.58 ? 2013 HOH A O 1 \nHETATM 2603 O O . HOH D 4 . ? 21.686 36.822 -11.628 1.00 56.11 ? 2014 HOH A O 1 \nHETATM 2604 O O . HOH D 4 . ? 39.487 7.019 16.025 1.00 50.43 ? 2015 HOH A O 1 \nHETATM 2605 O O . HOH D 4 . ? 24.717 27.461 19.113 1.00 29.62 ? 2016 HOH A O 1 \nHETATM 2606 O O . HOH D 4 . ? 26.919 27.315 22.960 1.00 32.92 ? 2017 HOH A O 1 \nHETATM 2607 O O . HOH D 4 . ? 21.677 19.209 0.486 1.00 37.84 ? 2018 HOH A O 1 \nHETATM 2608 O O . HOH D 4 . ? 8.443 31.994 19.416 1.00 35.04 ? 2019 HOH A O 1 \nHETATM 2609 O O . HOH D 4 . ? 17.135 42.163 -0.961 1.00 57.68 ? 2020 HOH A O 1 \nHETATM 2610 O O . HOH D 4 . ? 36.632 30.489 18.215 1.00 60.99 ? 2021 HOH A O 1 \nHETATM 2611 O O . HOH D 4 . ? 33.379 16.584 20.716 1.00 38.49 ? 2022 HOH A O 1 \nHETATM 2612 O O . HOH D 4 . ? 25.300 19.757 32.915 1.00 32.97 ? 2023 HOH A O 1 \nHETATM 2613 O O . HOH D 4 . ? 33.014 27.649 15.526 1.00 36.60 ? 2024 HOH A O 1 \nHETATM 2614 O O . HOH D 4 . ? 33.617 10.243 19.744 1.00 33.88 ? 2025 HOH A O 1 \nHETATM 2615 O O . HOH D 4 . ? 7.754 30.842 8.414 1.00 40.67 ? 2026 HOH A O 1 \nHETATM 2616 O O . HOH D 4 . ? 10.668 30.874 11.297 1.00 33.82 ? 2027 HOH A O 1 \nHETATM 2617 O O . HOH D 4 . ? 26.832 24.553 13.022 1.00 39.16 ? 2028 HOH A O 1 \nHETATM 2618 O O . HOH D 4 . ? 21.042 33.463 11.806 1.00 38.83 ? 2029 HOH A O 1 \nHETATM 2619 O O . HOH D 4 . ? 7.739 23.297 8.108 1.00 42.86 ? 2030 HOH A O 1 \nHETATM 2620 O O . HOH D 4 . ? 10.905 13.095 11.221 1.00 32.44 ? 2031 HOH A O 1 \nHETATM 2621 O O . HOH D 4 . ? 12.309 6.679 14.280 1.00 40.84 ? 2032 HOH A O 1 \nHETATM 2622 O O . HOH D 4 . ? 6.371 16.396 8.444 1.00 42.41 ? 2033 HOH A O 1 \nHETATM 2623 O O . HOH D 4 . ? 11.382 8.774 7.622 1.00 36.18 ? 2034 HOH A O 1 \nHETATM 2624 O O . HOH D 4 . ? 37.978 12.473 9.028 1.00 37.99 ? 2035 HOH A O 1 \nHETATM 2625 O O . HOH D 4 . ? 26.334 29.616 19.096 1.00 35.40 ? 2036 HOH A O 1 \nHETATM 2626 O O . HOH D 4 . ? 28.085 29.293 21.311 1.00 33.80 ? 2037 HOH A O 1 \nHETATM 2627 O O . HOH D 4 . ? 29.678 19.189 9.597 1.00 38.78 ? 2038 HOH A O 1 \nHETATM 2628 O O . HOH D 4 . ? 18.829 31.034 14.369 1.00 42.03 ? 2039 HOH A O 1 \nHETATM 2629 O O . HOH D 4 . ? 38.239 13.151 6.193 1.00 35.39 ? 2040 HOH A O 1 \nHETATM 2630 O O . HOH D 4 . ? 42.253 18.534 4.456 1.00 39.85 ? 2041 HOH A O 1 \nHETATM 2631 O O . HOH D 4 . ? 35.880 6.018 8.596 1.00 41.37 ? 2042 HOH A O 1 \nHETATM 2632 O O . HOH D 4 . ? 6.868 14.238 27.659 1.00 57.08 ? 2043 HOH A O 1 \nHETATM 2633 O O . HOH D 4 . ? 25.840 9.403 3.926 1.00 37.52 ? 2044 HOH A O 1 \nHETATM 2634 O O . HOH D 4 . ? 23.916 10.923 4.843 1.00 36.39 ? 2045 HOH A O 1 \nHETATM 2635 O O . HOH D 4 . ? 22.297 9.245 6.744 1.00 32.79 ? 2046 HOH A O 1 \nHETATM 2636 O O . HOH D 4 . ? 25.735 6.067 7.008 1.00 36.43 ? 2047 HOH A O 1 \nHETATM 2637 O O . HOH D 4 . ? 25.275 3.366 7.768 1.00 39.99 ? 2048 HOH A O 1 \nHETATM 2638 O O . HOH D 4 . ? 31.874 2.778 6.260 1.00 50.43 ? 2049 HOH A O 1 \nHETATM 2639 O O . HOH D 4 . ? 35.219 5.807 14.085 1.00 38.24 ? 2050 HOH A O 1 \nHETATM 2640 O O . HOH D 4 . ? 21.161 14.370 0.807 1.00 42.08 ? 2051 HOH A O 1 \nHETATM 2641 O O . HOH D 4 . ? 23.868 13.162 2.145 1.00 37.79 ? 2052 HOH A O 1 \nHETATM 2642 O O . HOH D 4 . ? 17.291 14.374 37.680 1.00 50.83 ? 2053 HOH A O 1 \nHETATM 2643 O O . HOH D 4 . ? 34.232 13.602 30.125 1.00 38.30 ? 2054 HOH A O 1 \nHETATM 2644 O O . HOH D 4 . ? 24.841 32.749 10.356 1.00 44.08 ? 2055 HOH A O 1 \nHETATM 2645 O O . HOH D 4 . ? 29.807 17.978 0.516 1.00 38.25 ? 2056 HOH A O 1 \nHETATM 2646 O O . HOH D 4 . ? 6.362 17.239 3.587 1.00 38.89 ? 2057 HOH A O 1 \nHETATM 2647 O O . HOH D 4 . ? 44.102 21.764 13.753 1.00 42.91 ? 2058 HOH A O 1 \nHETATM 2648 O O . HOH D 4 . ? 34.739 22.287 26.071 1.00 41.30 ? 2059 HOH A O 1 \nHETATM 2649 O O . HOH D 4 . ? 19.809 15.737 8.120 1.00 39.13 ? 2060 HOH A O 1 \nHETATM 2650 O O . HOH D 4 . ? 34.786 23.238 5.336 1.00 41.49 ? 2061 HOH A O 1 \nHETATM 2651 O O . HOH D 4 . ? 11.549 4.709 21.682 1.00 43.83 ? 2062 HOH A O 1 \nHETATM 2652 O O . HOH D 4 . ? 32.328 28.947 -3.320 1.00 46.43 ? 2063 HOH A O 1 \nHETATM 2653 O O . HOH D 4 . ? 15.198 32.353 23.952 1.00 39.56 ? 2064 HOH A O 1 \nHETATM 2654 O O . HOH D 4 . ? 27.994 8.896 5.683 1.00 34.43 ? 2065 HOH A O 1 \nHETATM 2655 O O . HOH D 4 . ? 7.938 16.137 22.485 1.00 51.73 ? 2066 HOH A O 1 \nHETATM 2656 O O . HOH D 4 . ? 6.882 48.187 -5.358 1.00 52.22 ? 2067 HOH A O 1 \nHETATM 2657 O O . HOH D 4 . ? 7.809 14.973 13.054 1.00 45.62 ? 2068 HOH A O 1 \nHETATM 2658 O O . HOH D 4 . ? 9.129 11.157 13.552 1.00 51.16 ? 2069 HOH A O 1 \nHETATM 2659 O O . HOH D 4 . ? 8.607 28.931 10.382 1.00 44.69 ? 2070 HOH A O 1 \nHETATM 2660 O O . HOH D 4 . ? 17.819 11.733 38.870 1.00 43.75 ? 2071 HOH A O 1 \nHETATM 2661 O O . HOH D 4 . ? 19.521 9.398 3.628 1.00 43.64 ? 2072 HOH A O 1 \nHETATM 2662 O O . HOH D 4 . ? 32.704 24.308 4.378 1.00 40.08 ? 2073 HOH A O 1 \nHETATM 2663 O O . HOH D 4 . ? 40.870 23.271 12.777 1.00 44.98 ? 2074 HOH A O 1 \nHETATM 2664 O O . HOH D 4 . ? 7.122 11.266 27.389 1.00 56.70 ? 2075 HOH A O 1 \nHETATM 2665 O O . HOH D 4 . ? 43.891 19.989 6.225 1.00 53.70 ? 2076 HOH A O 1 \nHETATM 2666 O O . HOH D 4 . ? 30.592 29.461 20.862 1.00 40.74 ? 2077 HOH A O 1 \nHETATM 2667 O O . HOH D 4 . ? 43.928 19.888 24.129 1.00 59.50 ? 2078 HOH A O 1 \nHETATM 2668 O O . HOH D 4 . ? 28.233 24.649 -1.481 1.00 49.45 ? 2079 HOH A O 1 \nHETATM 2669 O O . HOH D 4 . ? 37.537 9.737 20.442 1.00 49.24 ? 2080 HOH A O 1 \nHETATM 2670 O O . HOH D 4 . ? 26.400 4.566 16.784 1.00 49.49 ? 2081 HOH A O 1 \nHETATM 2671 O O . HOH D 4 . ? 9.514 5.252 19.588 1.00 60.51 ? 2082 HOH A O 1 \n# \nloop_\n_atom_site_anisotrop.id \n_atom_site_anisotrop.type_symbol \n_atom_site_anisotrop.pdbx_label_atom_id \n_atom_site_anisotrop.pdbx_label_alt_id \n_atom_site_anisotrop.pdbx_label_comp_id \n_atom_site_anisotrop.pdbx_label_asym_id \n_atom_site_anisotrop.pdbx_label_seq_id \n_atom_site_anisotrop.pdbx_PDB_ins_code \n_atom_site_anisotrop.U[1][1] \n_atom_site_anisotrop.U[2][2] \n_atom_site_anisotrop.U[3][3] \n_atom_site_anisotrop.U[1][2] \n_atom_site_anisotrop.U[1][3] \n_atom_site_anisotrop.U[2][3] \n_atom_site_anisotrop.pdbx_auth_seq_id \n_atom_site_anisotrop.pdbx_auth_comp_id \n_atom_site_anisotrop.pdbx_auth_asym_id \n_atom_site_anisotrop.pdbx_auth_atom_id \n1 N N . GLN A 9 ? 0.5420 0.5609 0.7188 0.0196 -0.0946 0.0018 701 GLN A N \n2 C CA . GLN A 9 ? 0.5718 0.6034 0.7606 0.0189 -0.0889 0.0026 701 GLN A CA \n3 C C . GLN A 9 ? 0.5291 0.5587 0.7054 0.0136 -0.0837 0.0025 701 GLN A C \n4 O O . GLN A 9 ? 0.5250 0.5624 0.7078 0.0121 -0.0798 0.0032 701 GLN A O \n5 C CB . GLN A 9 ? 0.7425 0.7772 0.9441 0.0183 -0.0959 0.0044 701 GLN A CB \n6 C CG . GLN A 9 ? 0.9845 1.0353 1.2070 0.0212 -0.0913 0.0051 701 GLN A CG \n7 C CD . GLN A 9 ? 1.2016 1.2555 1.4362 0.0193 -0.0983 0.0073 701 GLN A CD \n8 O OE1 . GLN A 9 ? 1.1085 1.1671 1.3582 0.0228 -0.1033 0.0080 701 GLN A OE1 \n9 N NE2 . GLN A 9 ? 1.1782 1.2293 1.4064 0.0139 -0.0989 0.0084 701 GLN A NE2 \n10 N N . ALA A 10 ? 0.5196 0.5388 0.6783 0.0110 -0.0835 0.0016 702 ALA A N \n11 C CA . ALA A 10 ? 0.4921 0.5092 0.6387 0.0066 -0.0783 0.0012 702 ALA A CA \n12 C C . ALA A 10 ? 0.5473 0.5756 0.7003 0.0082 -0.0688 0.0005 702 ALA A C \n13 O O . ALA A 10 ? 0.4974 0.5312 0.6570 0.0124 -0.0653 -0.0001 702 ALA A O \n14 C CB . ALA A 10 ? 0.4911 0.4965 0.6197 0.0041 -0.0793 0.0005 702 ALA A CB \n15 N N . LEU A 11 ? 0.4239 0.4548 0.5741 0.0049 -0.0649 0.0006 703 LEU A N \n16 C CA . LEU A 11 ? 0.4156 0.4550 0.5689 0.0058 -0.0563 0.0000 703 LEU A CA \n17 C C . LEU A 11 ? 0.4192 0.4552 0.5621 0.0060 -0.0523 -0.0012 703 LEU A C \n18 O O . LEU A 11 ? 0.4334 0.4749 0.5807 0.0091 -0.0473 -0.0019 703 LEU A O \n19 C CB . LEU A 11 ? 0.3930 0.4338 0.5436 0.0021 -0.0540 0.0002 703 LEU A CB \n20 C CG . LEU A 11 ? 0.5234 0.5745 0.6820 0.0032 -0.0469 0.0001 703 LEU A CG \n21 C CD1 . LEU A 11 ? 0.5515 0.6118 0.7256 0.0071 -0.0456 0.0008 703 LEU A CD1 \n22 C CD2 . LEU A 11 ? 0.4888 0.5405 0.6470 0.0000 -0.0470 0.0007 703 LEU A CD2 \n23 N N . LEU A 12 ? 0.3764 0.4028 0.5052 0.0025 -0.0546 -0.0015 704 LEU A N \n24 C CA . LEU A 12 ? 0.3710 0.3925 0.4891 0.0020 -0.0524 -0.0024 704 LEU A CA \n25 C C . LEU A 12 ? 0.3995 0.4124 0.5132 0.0031 -0.0588 -0.0022 704 LEU A C \n26 O O . LEU A 12 ? 0.4022 0.4059 0.5070 0.0000 -0.0643 -0.0017 704 LEU A O \n27 C CB . LEU A 12 ? 0.3820 0.3990 0.4875 -0.0028 -0.0503 -0.0028 704 LEU A CB \n28 C CG . LEU A 12 ? 0.4517 0.4647 0.5466 -0.0044 -0.0477 -0.0034 704 LEU A CG \n29 C CD1 . LEU A 12 ? 0.3941 0.4144 0.4944 -0.0015 -0.0418 -0.0040 704 LEU A CD1 \n30 C CD2 . LEU A 12 ? 0.4643 0.4734 0.5479 -0.0094 -0.0458 -0.0037 704 LEU A CD2 \n31 N N . ARG A 13 ? 0.4031 0.4183 0.5225 0.0076 -0.0582 -0.0027 705 ARG A N \n32 C CA . ARG A 13 ? 0.4373 0.4437 0.5524 0.0093 -0.0645 -0.0027 705 ARG A CA \n33 C C . ARG A 13 ? 0.4882 0.4845 0.5869 0.0059 -0.0653 -0.0029 705 ARG A C \n34 O O . ARG A 13 ? 0.4859 0.4841 0.5800 0.0050 -0.0597 -0.0034 705 ARG A O \n35 C CB . ARG A 13 ? 0.5446 0.5561 0.6704 0.0157 -0.0635 -0.0034 705 ARG A CB \n36 C CG . ARG A 13 ? 0.5619 0.5820 0.7045 0.0191 -0.0647 -0.0029 705 ARG A CG \n37 C CD . ARG A 13 ? 0.7699 0.7979 0.9236 0.0253 -0.0604 -0.0039 705 ARG A CD \n38 N NE . ARG A 13 ? 1.0335 1.0620 1.1977 0.0299 -0.0658 -0.0039 705 ARG A NE \n39 C CZ . ARG A 13 ? 1.1062 1.1447 1.2872 0.0325 -0.0657 -0.0033 705 ARG A CZ \n40 N NH1 . ARG A 13 ? 1.1689 1.2171 1.3574 0.0307 -0.0606 -0.0026 705 ARG A NH1 \n41 N NH2 . ARG A 13 ? 1.0971 1.1359 1.2879 0.0370 -0.0711 -0.0035 705 ARG A NH2 \n42 N N . ILE A 14 ? 0.4766 0.4618 0.5663 0.0037 -0.0725 -0.0023 706 ILE A N \n43 C CA . ILE A 14 ? 0.5346 0.5092 0.6083 0.0000 -0.0739 -0.0022 706 ILE A CA \n44 C C . ILE A 14 ? 0.5844 0.5540 0.6582 0.0043 -0.0776 -0.0026 706 ILE A C \n45 O O . ILE A 14 ? 0.5473 0.5111 0.6227 0.0063 -0.0849 -0.0023 706 ILE A O \n46 C CB . ILE A 14 ? 0.6555 0.6189 0.7171 -0.0052 -0.0798 -0.0012 706 ILE A CB \n47 C CG1 . ILE A 14 ? 0.6363 0.6039 0.6991 -0.0084 -0.0774 -0.0010 706 ILE A CG1 \n48 C CG2 . ILE A 14 ? 0.6817 0.6350 0.7265 -0.0098 -0.0802 -0.0009 706 ILE A CG2 \n49 C CD1 . ILE A 14 ? 0.5418 0.5176 0.6047 -0.0102 -0.0685 -0.0016 706 ILE A CD1 \n50 N N . LEU A 15 ? 0.5526 0.5242 0.6247 0.0058 -0.0729 -0.0033 707 LEU A N \n51 C CA . LEU A 15 ? 0.5596 0.5267 0.6320 0.0107 -0.0757 -0.0041 707 LEU A CA \n52 C C . LEU A 15 ? 0.6465 0.5998 0.7022 0.0070 -0.0803 -0.0035 707 LEU A C \n53 O O . LEU A 15 ? 0.6247 0.5756 0.6699 0.0014 -0.0776 -0.0029 707 LEU A O \n54 C CB . LEU A 15 ? 0.5854 0.5608 0.6642 0.0147 -0.0686 -0.0052 707 LEU A CB \n55 C CG . LEU A 15 ? 0.6627 0.6521 0.7566 0.0179 -0.0624 -0.0057 707 LEU A CG \n56 C CD1 . LEU A 15 ? 0.5197 0.5132 0.6153 0.0213 -0.0563 -0.0067 707 LEU A CD1 \n57 C CD2 . LEU A 15 ? 0.5352 0.5290 0.6428 0.0224 -0.0658 -0.0057 707 LEU A CD2 \n58 N N . LYS A 16 ? 0.6234 0.5679 0.6771 0.0102 -0.0874 -0.0037 708 LYS A N \n59 C CA . LYS A 16 ? 0.7895 0.7197 0.8274 0.0076 -0.0924 -0.0033 708 LYS A CA \n60 C C . LYS A 16 ? 0.6539 0.5843 0.6901 0.0106 -0.0888 -0.0042 708 LYS A C \n61 O O . LYS A 16 ? 0.5800 0.5184 0.6277 0.0170 -0.0853 -0.0056 708 LYS A O \n62 C CB . LYS A 16 ? 0.8027 0.7226 0.8395 0.0105 -0.1023 -0.0032 708 LYS A CB \n63 C CG . LYS A 16 ? 0.9974 0.9118 1.0307 0.0063 -0.1081 -0.0019 708 LYS A CG \n64 C CD . LYS A 16 ? 1.1801 1.0964 1.2267 0.0122 -0.1142 -0.0024 708 LYS A CD \n65 C CE . LYS A 16 ? 1.2334 1.1425 1.2810 0.0184 -0.1201 -0.0034 708 LYS A CE \n66 N NZ . LYS A 16 ? 1.2740 1.1877 1.3377 0.0248 -0.1251 -0.0040 708 LYS A NZ \n67 N N . GLU A 17 ? 0.6711 0.5923 0.6924 0.0058 -0.0897 -0.0034 709 GLU A N \n68 C CA . GLU A 17 ? 0.6996 0.6184 0.7165 0.0077 -0.0874 -0.0040 709 GLU A CA \n69 C C . GLU A 17 ? 0.7493 0.6645 0.7710 0.0160 -0.0908 -0.0057 709 GLU A C \n70 O O . GLU A 17 ? 0.6931 0.6115 0.7176 0.0203 -0.0865 -0.0070 709 GLU A O \n71 C CB . GLU A 17 ? 0.7825 0.6893 0.7817 0.0007 -0.0904 -0.0025 709 GLU A CB \n72 C CG . GLU A 17 ? 0.9433 0.8557 0.9387 -0.0067 -0.0849 -0.0012 709 GLU A CG \n73 C CD . GLU A 17 ? 1.2260 1.1279 1.2053 -0.0138 -0.0871 0.0004 709 GLU A CD \n74 O OE1 . GLU A 17 ? 1.0992 1.0038 1.0763 -0.0157 -0.0830 0.0006 709 GLU A OE1 \n75 O OE2 . GLU A 17 ? 1.3467 1.2373 1.3152 -0.0178 -0.0933 0.0015 709 GLU A OE2 \n76 N N . THR A 18 ? 0.7519 0.6602 0.7742 0.0185 -0.0984 -0.0058 710 THR A N \n77 C CA . THR A 18 ? 0.7982 0.7034 0.8264 0.0270 -0.1020 -0.0076 710 THR A CA \n78 C C . THR A 18 ? 0.6977 0.6180 0.7450 0.0341 -0.0960 -0.0093 710 THR A C \n79 O O . THR A 18 ? 0.7409 0.6612 0.7941 0.0417 -0.0962 -0.0111 710 THR A O \n80 C CB . THR A 18 ? 0.8306 0.7247 0.8558 0.0278 -0.1125 -0.0073 710 THR A CB \n81 O OG1 . THR A 18 ? 0.8246 0.7251 0.8581 0.0258 -0.1136 -0.0064 710 THR A OG1 \n82 C CG2 . THR A 18 ? 0.8237 0.7009 0.8285 0.0213 -0.1189 -0.0057 710 THR A CG2 \n83 N N . GLU A 19 ? 0.6396 0.5723 0.6959 0.0315 -0.0905 -0.0086 711 GLU A N \n84 C CA . GLU A 19 ? 0.7106 0.6578 0.7851 0.0369 -0.0850 -0.0096 711 GLU A CA \n85 C C . GLU A 19 ? 0.7201 0.6751 0.7975 0.0392 -0.0760 -0.0107 711 GLU A C \n86 O O . GLU A 19 ? 0.6446 0.6101 0.7356 0.0446 -0.0711 -0.0118 711 GLU A O \n87 C CB . GLU A 19 ? 0.7716 0.7278 0.8537 0.0328 -0.0834 -0.0083 711 GLU A CB \n88 C CG . GLU A 19 ? 0.7783 0.7312 0.8645 0.0327 -0.0914 -0.0076 711 GLU A CG \n89 C CD . GLU A 19 ? 0.7319 0.6940 0.8256 0.0290 -0.0891 -0.0064 711 GLU A CD \n90 O OE1 . GLU A 19 ? 0.6710 0.6268 0.7549 0.0226 -0.0923 -0.0050 711 GLU A OE1 \n91 O OE2 . GLU A 19 ? 0.9164 0.8915 1.0251 0.0323 -0.0839 -0.0068 711 GLU A OE2 \n92 N N . PHE A 20 ? 0.6126 0.5625 0.6772 0.0347 -0.0737 -0.0101 712 PHE A N \n93 C CA . PHE A 20 ? 0.6800 0.6359 0.7455 0.0360 -0.0658 -0.0109 712 PHE A CA \n94 C C . PHE A 20 ? 0.5750 0.5195 0.6252 0.0345 -0.0670 -0.0110 712 PHE A C \n95 O O . PHE A 20 ? 0.6289 0.5627 0.6669 0.0299 -0.0728 -0.0098 712 PHE A O \n96 C CB . PHE A 20 ? 0.5773 0.5442 0.6475 0.0312 -0.0596 -0.0098 712 PHE A CB \n97 C CG . PHE A 20 ? 0.5363 0.4987 0.5954 0.0230 -0.0611 -0.0082 712 PHE A CG \n98 C CD1 . PHE A 20 ? 0.6429 0.6038 0.6934 0.0194 -0.0577 -0.0077 712 PHE A CD1 \n99 C CD2 . PHE A 20 ? 0.5799 0.5395 0.6368 0.0188 -0.0658 -0.0070 712 PHE A CD2 \n100 C CE1 . PHE A 20 ? 0.5615 0.5195 0.6029 0.0119 -0.0584 -0.0062 712 PHE A CE1 \n101 C CE2 . PHE A 20 ? 0.5369 0.4926 0.5832 0.0113 -0.0663 -0.0056 712 PHE A CE2 \n102 C CZ . PHE A 20 ? 0.5934 0.5490 0.6327 0.0079 -0.0623 -0.0052 712 PHE A CZ \n103 N N . LYS A 21 ? 0.5851 0.5316 0.6355 0.0380 -0.0617 -0.0122 713 LYS A N \n104 C CA . LYS A 21 ? 0.5833 0.5185 0.6194 0.0373 -0.0630 -0.0123 713 LYS A CA \n105 C C . LYS A 21 ? 0.6357 0.5763 0.6708 0.0357 -0.0559 -0.0123 713 LYS A C \n106 O O . LYS A 21 ? 0.5776 0.5274 0.6223 0.0399 -0.0498 -0.0134 713 LYS A O \n107 C CB . LYS A 21 ? 0.6447 0.5718 0.6792 0.0452 -0.0657 -0.0145 713 LYS A CB \n108 C CG . LYS A 21 ? 0.7942 0.7120 0.8262 0.0470 -0.0744 -0.0146 713 LYS A CG \n109 C CD . LYS A 21 ? 1.0478 0.9594 1.0806 0.0561 -0.0762 -0.0172 713 LYS A CD \n110 C CE . LYS A 21 ? 0.9047 0.8099 0.9397 0.0592 -0.0846 -0.0176 713 LYS A CE \n111 N NZ . LYS A 21 ? 0.9764 0.8743 1.0113 0.0684 -0.0869 -0.0203 713 LYS A NZ \n112 N N . LYS A 22 ? 0.5503 0.4849 0.5736 0.0295 -0.0571 -0.0108 714 LYS A N \n113 C CA . LYS A 22 ? 0.5983 0.5351 0.6184 0.0278 -0.0520 -0.0106 714 LYS A CA \n114 C C . LYS A 22 ? 0.6513 0.5786 0.6641 0.0333 -0.0525 -0.0122 714 LYS A C \n115 O O . LYS A 22 ? 0.6188 0.5331 0.6207 0.0335 -0.0585 -0.0123 714 LYS A O \n116 C CB . LYS A 22 ? 0.6461 0.5793 0.6566 0.0193 -0.0539 -0.0085 714 LYS A CB \n117 C CG . LYS A 22 ? 0.6952 0.6366 0.7107 0.0133 -0.0530 -0.0070 714 LYS A CG \n118 C CD . LYS A 22 ? 0.6996 0.6380 0.7060 0.0055 -0.0538 -0.0050 714 LYS A CD \n119 C CE . LYS A 22 ? 0.6853 0.6286 0.6933 -0.0006 -0.0539 -0.0036 714 LYS A CE \n120 N NZ . LYS A 22 ? 0.6756 0.6102 0.6776 -0.0020 -0.0602 -0.0031 714 LYS A NZ \n121 N N . ILE A 23 ? 0.5442 0.4768 0.5619 0.0378 -0.0463 -0.0136 715 ILE A N \n122 C CA . ILE A 23 ? 0.6316 0.5552 0.6425 0.0440 -0.0459 -0.0155 715 ILE A CA \n123 C C . ILE A 23 ? 0.6970 0.6143 0.6965 0.0408 -0.0447 -0.0149 715 ILE A C \n124 O O . ILE A 23 ? 0.6679 0.5716 0.6544 0.0413 -0.0490 -0.0151 715 ILE A O \n125 C CB . ILE A 23 ? 0.5406 0.4724 0.5633 0.0520 -0.0400 -0.0178 715 ILE A CB \n126 C CG1 . ILE A 23 ? 0.7073 0.6422 0.7398 0.0555 -0.0433 -0.0184 715 ILE A CG1 \n127 C CG2 . ILE A 23 ? 0.6282 0.5509 0.6430 0.0584 -0.0381 -0.0200 715 ILE A CG2 \n128 C CD1 . ILE A 23 ? 0.6901 0.6334 0.7357 0.0635 -0.0382 -0.0205 715 ILE A CD1 \n129 N N . LYS A 24 ? 0.5733 0.5001 0.5776 0.0374 -0.0396 -0.0139 716 LYS A N \n130 C CA . LYS A 24 ? 0.5657 0.4877 0.5607 0.0338 -0.0389 -0.0130 716 LYS A CA \n131 C C . LYS A 24 ? 0.6018 0.5341 0.6025 0.0269 -0.0368 -0.0110 716 LYS A C \n132 O O . LYS A 24 ? 0.4912 0.4354 0.5038 0.0266 -0.0335 -0.0109 716 LYS A O \n133 C CB . LYS A 24 ? 0.5531 0.4736 0.5466 0.0395 -0.0335 -0.0148 716 LYS A CB \n134 C CG . LYS A 24 ? 0.6711 0.5791 0.6557 0.0463 -0.0353 -0.0170 716 LYS A CG \n135 C CD . LYS A 24 ? 0.6245 0.5165 0.5919 0.0436 -0.0409 -0.0163 716 LYS A CD \n136 C CE . LYS A 24 ? 0.6951 0.5734 0.6535 0.0494 -0.0453 -0.0182 716 LYS A CE \n137 N NZ . LYS A 24 ? 0.7803 0.6553 0.7373 0.0579 -0.0403 -0.0212 716 LYS A NZ \n138 N N . VAL A 25 ? 0.5479 0.4754 0.5403 0.0214 -0.0388 -0.0094 717 VAL A N \n139 C CA . VAL A 25 ? 0.5797 0.5165 0.5772 0.0155 -0.0366 -0.0077 717 VAL A CA \n140 C C . VAL A 25 ? 0.5679 0.5116 0.5711 0.0181 -0.0305 -0.0085 717 VAL A C \n141 O O . VAL A 25 ? 0.5561 0.4932 0.5533 0.0220 -0.0291 -0.0096 717 VAL A O \n142 C CB . VAL A 25 ? 0.6752 0.6053 0.6631 0.0090 -0.0408 -0.0057 717 VAL A CB \n143 C CG1 . VAL A 25 ? 0.6255 0.5664 0.6205 0.0036 -0.0382 -0.0043 717 VAL A CG1 \n144 C CG2 . VAL A 25 ? 0.6742 0.5969 0.6553 0.0054 -0.0469 -0.0046 717 VAL A CG2 \n145 N N . LEU A 26 ? 0.4854 0.4416 0.4993 0.0160 -0.0270 -0.0080 718 LEU A N \n146 C CA . LEU A 26 ? 0.4266 0.3884 0.4445 0.0169 -0.0220 -0.0082 718 LEU A CA \n147 C C . LEU A 26 ? 0.4798 0.4421 0.4950 0.0109 -0.0235 -0.0065 718 LEU A C \n148 O O . LEU A 26 ? 0.4640 0.4199 0.4720 0.0109 -0.0239 -0.0064 718 LEU A O \n149 C CB . LEU A 26 ? 0.4616 0.4357 0.4927 0.0189 -0.0172 -0.0088 718 LEU A CB \n150 C CG . LEU A 26 ? 0.4637 0.4379 0.4987 0.0254 -0.0155 -0.0105 718 LEU A CG \n151 C CD1 . LEU A 26 ? 0.4676 0.4540 0.5162 0.0267 -0.0118 -0.0107 718 LEU A CD1 \n152 C CD2 . LEU A 26 ? 0.5541 0.5213 0.5826 0.0304 -0.0128 -0.0119 718 LEU A CD2 \n153 N N . GLY A 27 ? 0.4649 0.4345 0.4857 0.0059 -0.0244 -0.0053 719 GLY A N \n154 C CA . GLY A 27 ? 0.5634 0.5350 0.5834 0.0002 -0.0257 -0.0037 719 GLY A CA \n155 C C . GLY A 27 ? 0.7203 0.7009 0.7474 -0.0045 -0.0258 -0.0027 719 GLY A C \n156 O O . GLY A 27 ? 0.6658 0.6516 0.6986 -0.0035 -0.0244 -0.0033 719 GLY A O \n157 N N . SER A 28 ? 0.6398 0.6221 0.6664 -0.0098 -0.0273 -0.0013 720 SER A N \n158 C CA . SER A 28 ? 0.6494 0.6406 0.6824 -0.0146 -0.0266 -0.0004 720 SER A CA \n159 C C . SER A 28 ? 0.6178 0.6193 0.6603 -0.0150 -0.0230 -0.0007 720 SER A C \n160 O O . SER A 28 ? 0.6850 0.6859 0.7279 -0.0127 -0.0220 -0.0010 720 SER A O \n161 C CB . SER A 28 ? 0.8048 0.7918 0.8320 -0.0206 -0.0306 0.0014 720 SER A CB \n162 O OG . SER A 28 ? 0.8620 0.8410 0.8816 -0.0214 -0.0339 0.0017 720 SER A OG \n163 N N . GLY A 29 ? 0.7044 0.7145 0.7535 -0.0178 -0.0213 -0.0006 721 GLY A N \n164 C CA . GLY A 29 ? 0.6960 0.7159 0.7542 -0.0182 -0.0182 -0.0010 721 GLY A CA \n165 C C . GLY A 29 ? 0.7718 0.7984 0.8338 -0.0230 -0.0176 -0.0004 721 GLY A C \n166 O O . GLY A 29 ? 0.7501 0.7733 0.8072 -0.0262 -0.0195 0.0004 721 GLY A O \n167 N N . ALA A 30 ? 0.8690 0.9047 0.9395 -0.0233 -0.0149 -0.0009 722 ALA A N \n168 C CA . ALA A 30 ? 0.8869 0.9301 0.9621 -0.0272 -0.0131 -0.0008 722 ALA A CA \n169 C C . ALA A 30 ? 0.8699 0.9124 0.9424 -0.0280 -0.0122 -0.0012 722 ALA A C \n170 O O . ALA A 30 ? 0.7110 0.7539 0.7811 -0.0325 -0.0124 -0.0004 722 ALA A O \n171 C CB . ALA A 30 ? 0.9124 0.9648 0.9971 -0.0259 -0.0102 -0.0019 722 ALA A CB \n172 N N . PHE A 31 ? 0.6621 0.7032 0.7351 -0.0240 -0.0114 -0.0024 723 PHE A N \n173 C CA . PHE A 31 ? 0.5373 0.5777 0.6084 -0.0245 -0.0110 -0.0028 723 PHE A CA \n174 C C . PHE A 31 ? 0.5787 0.6097 0.6414 -0.0245 -0.0145 -0.0021 723 PHE A C \n175 O O . PHE A 31 ? 0.5892 0.6180 0.6487 -0.0261 -0.0152 -0.0021 723 PHE A O \n176 C CB . PHE A 31 ? 0.6469 0.6917 0.7240 -0.0208 -0.0086 -0.0043 723 PHE A CB \n177 C CG . PHE A 31 ? 0.6439 0.6971 0.7285 -0.0209 -0.0054 -0.0051 723 PHE A CG \n178 C CD1 . PHE A 31 ? 0.5928 0.6492 0.6831 -0.0171 -0.0040 -0.0060 723 PHE A CD1 \n179 C CD2 . PHE A 31 ? 0.5779 0.6359 0.6639 -0.0247 -0.0038 -0.0051 723 PHE A CD2 \n180 C CE1 . PHE A 31 ? 0.6524 0.7156 0.7491 -0.0169 -0.0017 -0.0069 723 PHE A CE1 \n181 C CE2 . PHE A 31 ? 0.4985 0.5643 0.5918 -0.0241 -0.0010 -0.0061 723 PHE A CE2 \n182 C CZ . PHE A 31 ? 0.5596 0.6275 0.6580 -0.0201 -0.0003 -0.0071 723 PHE A CZ \n183 N N . GLY A 32 ? 0.5278 0.5523 0.5863 -0.0227 -0.0170 -0.0017 724 GLY A N \n184 C CA . GLY A 32 ? 0.3769 0.3919 0.4274 -0.0221 -0.0207 -0.0012 724 GLY A CA \n185 C C . GLY A 32 ? 0.5134 0.5215 0.5601 -0.0181 -0.0225 -0.0014 724 GLY A C \n186 O O . GLY A 32 ? 0.5802 0.5901 0.6294 -0.0165 -0.0212 -0.0016 724 GLY A O \n187 N N . THR A 33 ? 0.4764 0.4762 0.5170 -0.0163 -0.0257 -0.0015 725 THR A N \n188 C CA . THR A 33 ? 0.4823 0.4736 0.5174 -0.0124 -0.0278 -0.0018 725 THR A CA \n189 C C . THR A 33 ? 0.4780 0.4682 0.5160 -0.0063 -0.0273 -0.0033 725 THR A C \n190 O O . THR A 33 ? 0.4210 0.4104 0.4595 -0.0061 -0.0289 -0.0034 725 THR A O \n191 C CB . THR A 33 ? 0.6312 0.6119 0.6553 -0.0156 -0.0328 -0.0006 725 THR A CB \n192 O OG1 . THR A 33 ? 0.5929 0.5754 0.6155 -0.0214 -0.0332 0.0009 725 THR A OG1 \n193 C CG2 . THR A 33 ? 0.5708 0.5414 0.5880 -0.0112 -0.0352 -0.0012 725 THR A CG2 \n194 N N . VAL A 34 ? 0.4022 0.3916 0.4414 -0.0015 -0.0253 -0.0042 726 VAL A N \n195 C CA . VAL A 34 ? 0.4419 0.4323 0.4860 0.0044 -0.0238 -0.0057 726 VAL A CA \n196 C C . VAL A 34 ? 0.4252 0.4055 0.4621 0.0088 -0.0260 -0.0065 726 VAL A C \n197 O O . VAL A 34 ? 0.4311 0.4047 0.4604 0.0087 -0.0268 -0.0063 726 VAL A O \n198 C CB . VAL A 34 ? 0.4085 0.4075 0.4612 0.0070 -0.0185 -0.0063 726 VAL A CB \n199 C CG1 . VAL A 34 ? 0.4253 0.4273 0.4848 0.0124 -0.0167 -0.0075 726 VAL A CG1 \n200 C CG2 . VAL A 34 ? 0.4510 0.4591 0.5102 0.0031 -0.0167 -0.0058 726 VAL A CG2 \n201 N N . TYR A 35 ? 0.4224 0.4013 0.4619 0.0127 -0.0273 -0.0074 727 TYR A N \n202 C CA . TYR A 35 ? 0.4083 0.3779 0.4422 0.0178 -0.0295 -0.0085 727 TYR A CA \n203 C C . TYR A 35 ? 0.4640 0.4392 0.5073 0.0243 -0.0258 -0.0101 727 TYR A C \n204 O O . TYR A 35 ? 0.4261 0.4106 0.4799 0.0244 -0.0240 -0.0100 727 TYR A O \n205 C CB . TYR A 35 ? 0.4395 0.4011 0.4676 0.0166 -0.0357 -0.0082 727 TYR A CB \n206 C CG . TYR A 35 ? 0.5156 0.4718 0.5346 0.0096 -0.0396 -0.0064 727 TYR A CG \n207 C CD1 . TYR A 35 ? 0.5819 0.5260 0.5887 0.0087 -0.0437 -0.0060 727 TYR A CD1 \n208 C CD2 . TYR A 35 ? 0.6136 0.5765 0.6360 0.0038 -0.0390 -0.0051 727 TYR A CD2 \n209 C CE1 . TYR A 35 ? 0.5355 0.4751 0.5344 0.0016 -0.0471 -0.0040 727 TYR A CE1 \n210 C CE2 . TYR A 35 ? 0.5874 0.5464 0.6021 -0.0027 -0.0417 -0.0034 727 TYR A CE2 \n211 C CZ . TYR A 35 ? 0.6596 0.6072 0.6630 -0.0041 -0.0458 -0.0027 727 TYR A CZ \n212 O OH . TYR A 35 ? 0.5373 0.4816 0.5337 -0.0112 -0.0485 -0.0007 727 TYR A OH \n213 N N . LYS A 36 ? 0.3901 0.3594 0.4296 0.0297 -0.0248 -0.0115 728 LYS A N \n214 C CA . LYS A 36 ? 0.4303 0.4034 0.4782 0.0365 -0.0220 -0.0132 728 LYS A CA \n215 C C . LYS A 36 ? 0.4869 0.4551 0.5348 0.0384 -0.0277 -0.0136 728 LYS A C \n216 O O . LYS A 36 ? 0.5013 0.4585 0.5382 0.0369 -0.0330 -0.0133 728 LYS A O \n217 C CB . LYS A 36 ? 0.5029 0.4705 0.5455 0.0419 -0.0186 -0.0148 728 LYS A CB \n218 C CG . LYS A 36 ? 0.6256 0.5983 0.6778 0.0491 -0.0145 -0.0167 728 LYS A CG \n219 C CD . LYS A 36 ? 0.5212 0.4864 0.5657 0.0546 -0.0112 -0.0185 728 LYS A CD \n220 C CE . LYS A 36 ? 0.6339 0.5857 0.6682 0.0579 -0.0166 -0.0198 728 LYS A CE \n221 N NZ . LYS A 36 ? 0.6462 0.5889 0.6706 0.0629 -0.0134 -0.0216 728 LYS A NZ \n222 N N . GLY A 37 ? 0.4750 0.4507 0.5347 0.0415 -0.0271 -0.0141 729 GLY A N \n223 C CA . GLY A 37 ? 0.4963 0.4672 0.5566 0.0434 -0.0331 -0.0144 729 GLY A CA \n224 C C . GLY A 37 ? 0.4489 0.4271 0.5229 0.0495 -0.0317 -0.0156 729 GLY A C \n225 O O . GLY A 37 ? 0.3944 0.3817 0.4776 0.0524 -0.0254 -0.0163 729 GLY A O \n226 N N . LEU A 38 ? 0.5185 0.4925 0.5939 0.0512 -0.0379 -0.0158 730 LEU A N \n227 C CA . LEU A 38 ? 0.4975 0.4788 0.5874 0.0564 -0.0380 -0.0167 730 LEU A CA \n228 C C . LEU A 38 ? 0.4499 0.4324 0.5437 0.0525 -0.0441 -0.0152 730 LEU A C \n229 O O . LEU A 38 ? 0.5295 0.5021 0.6126 0.0486 -0.0504 -0.0143 730 LEU A O \n230 C CB . LEU A 38 ? 0.6831 0.6574 0.7722 0.0642 -0.0403 -0.0189 730 LEU A CB \n231 C CG . LEU A 38 ? 0.6703 0.6452 0.7594 0.0704 -0.0335 -0.0210 730 LEU A CG \n232 C CD1 . LEU A 38 ? 0.6819 0.6476 0.7684 0.0779 -0.0372 -0.0233 730 LEU A CD1 \n233 C CD2 . LEU A 38 ? 0.7618 0.7519 0.8667 0.0729 -0.0256 -0.0212 730 LEU A CD2 \n234 N N . TRP A 39 ? 0.5003 0.4945 0.6088 0.0531 -0.0421 -0.0147 731 TRP A N \n235 C CA . TRP A 39 ? 0.4490 0.4439 0.5620 0.0503 -0.0481 -0.0135 731 TRP A CA \n236 C C . TRP A 39 ? 0.5233 0.5204 0.6484 0.0570 -0.0516 -0.0145 731 TRP A C \n237 O O . TRP A 39 ? 0.4699 0.4773 0.6087 0.0618 -0.0466 -0.0154 731 TRP A O \n238 C CB . TRP A 39 ? 0.5252 0.5302 0.6450 0.0454 -0.0449 -0.0119 731 TRP A CB \n239 C CG . TRP A 39 ? 0.5772 0.5833 0.7026 0.0430 -0.0508 -0.0107 731 TRP A CG \n240 C CD1 . TRP A 39 ? 0.6799 0.6758 0.7979 0.0410 -0.0591 -0.0102 731 TRP A CD1 \n241 C CD2 . TRP A 39 ? 0.6790 0.6959 0.8175 0.0419 -0.0494 -0.0097 731 TRP A CD2 \n242 N NE1 . TRP A 39 ? 0.7321 0.7315 0.8574 0.0390 -0.0629 -0.0090 731 TRP A NE1 \n243 C CE2 . TRP A 39 ? 0.6477 0.6600 0.7859 0.0395 -0.0572 -0.0087 731 TRP A CE2 \n244 C CE3 . TRP A 39 ? 0.5756 0.6048 0.7253 0.0425 -0.0426 -0.0095 731 TRP A CE3 \n245 C CZ2 . TRP A 39 ? 0.7745 0.7940 0.9232 0.0378 -0.0586 -0.0075 731 TRP A CZ2 \n246 C CZ3 . TRP A 39 ? 0.6856 0.7224 0.8462 0.0407 -0.0439 -0.0082 731 TRP A CZ3 \n247 C CH2 . TRP A 39 ? 0.7032 0.7351 0.8634 0.0385 -0.0519 -0.0073 731 TRP A CH2 \n248 N N . ILE A 40 ? 0.5550 0.5420 0.6747 0.0570 -0.0602 -0.0144 732 ILE A N \n249 C CA . ILE A 40 ? 0.6524 0.6397 0.7827 0.0628 -0.0656 -0.0152 732 ILE A CA \n250 C C . ILE A 40 ? 0.6218 0.6096 0.7559 0.0582 -0.0721 -0.0133 732 ILE A C \n251 O O . ILE A 40 ? 0.7091 0.6851 0.8313 0.0545 -0.0795 -0.0125 732 ILE A O \n252 C CB . ILE A 40 ? 0.6609 0.6339 0.7807 0.0668 -0.0715 -0.0167 732 ILE A CB \n253 C CG1 . ILE A 40 ? 0.6670 0.6368 0.7788 0.0699 -0.0655 -0.0183 732 ILE A CG1 \n254 C CG2 . ILE A 40 ? 0.8103 0.7845 0.9428 0.0741 -0.0766 -0.0179 732 ILE A CG2 \n255 C CD1 . ILE A 40 ? 0.7342 0.6869 0.8274 0.0689 -0.0711 -0.0187 732 ILE A CD1 \n256 N N . PRO A 41 ? 0.6345 0.6352 0.7837 0.0579 -0.0693 -0.0125 733 PRO A N \n257 C CA . PRO A 41 ? 0.6905 0.6909 0.8432 0.0539 -0.0760 -0.0107 733 PRO A CA \n258 C C . PRO A 41 ? 0.7821 0.7723 0.9336 0.0569 -0.0862 -0.0110 733 PRO A C \n259 O O . PRO A 41 ? 0.5827 0.5737 0.7418 0.0643 -0.0870 -0.0127 733 PRO A O \n260 C CB . PRO A 41 ? 0.7509 0.7670 0.9231 0.0557 -0.0718 -0.0102 733 PRO A CB \n261 C CG . PRO A 41 ? 0.7176 0.7419 0.8915 0.0570 -0.0612 -0.0110 733 PRO A CG \n262 C CD . PRO A 41 ? 0.7353 0.7505 0.8981 0.0607 -0.0602 -0.0129 733 PRO A CD \n263 N N . GLU A 42 ? 0.8490 0.8293 0.9904 0.0513 -0.0939 -0.0095 734 GLU A N \n264 C CA . GLU A 42 ? 1.1664 1.1326 1.3001 0.0526 -0.1043 -0.0097 734 GLU A CA \n265 C C . GLU A 42 ? 1.1970 1.1660 1.3464 0.0603 -0.1098 -0.0106 734 GLU A C \n266 O O . GLU A 42 ? 1.1585 1.1211 1.3061 0.0661 -0.1124 -0.0124 734 GLU A O \n267 C CB . GLU A 42 ? 1.3563 1.3120 1.4768 0.0446 -0.1111 -0.0076 734 GLU A CB \n268 C CG . GLU A 42 ? 1.5131 1.4771 1.6415 0.0403 -0.1102 -0.0060 734 GLU A CG \n269 C CD . GLU A 42 ? 1.7189 1.6734 1.8304 0.0316 -0.1126 -0.0044 734 GLU A CD \n270 O OE1 . GLU A 42 ? 1.6803 1.6203 1.7788 0.0290 -0.1208 -0.0037 734 GLU A OE1 \n271 O OE2 . GLU A 42 ? 1.6609 1.6224 1.7719 0.0273 -0.1061 -0.0038 734 GLU A OE2 \n272 N N . GLY A 43 ? 0.9273 0.9058 1.0924 0.0604 -0.1116 -0.0096 735 GLY A N \n273 C CA . GLY A 43 ? 1.2413 1.2231 1.4229 0.0671 -0.1178 -0.0102 735 GLY A CA \n274 C C . GLY A 43 ? 1.1310 1.1278 1.3312 0.0750 -0.1099 -0.0120 735 GLY A C \n275 O O . GLY A 43 ? 1.0334 1.0323 1.2459 0.0823 -0.1135 -0.0134 735 GLY A O \n276 N N . GLU A 44 ? 1.0028 1.0097 1.2045 0.0734 -0.0990 -0.0121 736 GLU A N \n277 C CA . GLU A 44 ? 0.9093 0.9317 1.1285 0.0795 -0.0901 -0.0134 736 GLU A CA \n278 C C . GLU A 44 ? 0.9792 0.9973 1.1934 0.0864 -0.0861 -0.0162 736 GLU A C \n279 O O . GLU A 44 ? 0.9644 0.9675 1.1617 0.0861 -0.0908 -0.0170 736 GLU A O \n280 C CB . GLU A 44 ? 0.9439 0.9772 1.1652 0.0745 -0.0808 -0.0121 736 GLU A CB \n281 C CG . GLU A 44 ? 0.8991 0.9310 1.1169 0.0664 -0.0852 -0.0095 736 GLU A CG \n282 C CD . GLU A 44 ? 1.0263 1.0690 1.2476 0.0620 -0.0768 -0.0083 736 GLU A CD \n283 O OE1 . GLU A 44 ? 0.9260 0.9636 1.1353 0.0550 -0.0774 -0.0070 736 GLU A OE1 \n284 O OE2 . GLU A 44 ? 1.1291 1.1851 1.3650 0.0654 -0.0695 -0.0087 736 GLU A OE2 \n285 N N . LYS A 45 ? 0.8575 0.8882 1.0857 0.0924 -0.0776 -0.0177 737 LYS A N \n286 C CA . LYS A 45 ? 1.0232 1.0497 1.2471 0.0998 -0.0737 -0.0207 737 LYS A CA \n287 C C . LYS A 45 ? 1.1394 1.1733 1.3618 0.1003 -0.0610 -0.0216 737 LYS A C \n288 O O . LYS A 45 ? 1.2995 1.3415 1.5326 0.1074 -0.0543 -0.0236 737 LYS A O \n289 C CB . LYS A 45 ? 1.2102 1.2412 1.4514 0.1091 -0.0770 -0.0226 737 LYS A CB \n290 C CG . LYS A 45 ? 1.3034 1.3224 1.5417 0.1099 -0.0906 -0.0223 737 LYS A CG \n291 C CD . LYS A 45 ? 1.4089 1.4304 1.6623 0.1205 -0.0938 -0.0249 737 LYS A CD \n292 C CE . LYS A 45 ? 1.4770 1.4851 1.7159 0.1267 -0.0934 -0.0280 737 LYS A CE \n293 N NZ . LYS A 45 ? 1.4929 1.5040 1.7476 0.1378 -0.0964 -0.0308 737 LYS A NZ \n294 N N . VAL A 46 ? 0.9539 0.9849 1.1628 0.0928 -0.0578 -0.0201 738 VAL A N \n295 C CA . VAL A 46 ? 0.8091 0.8451 1.0140 0.0922 -0.0468 -0.0207 738 VAL A CA \n296 C C . VAL A 46 ? 0.7822 0.8057 0.9646 0.0868 -0.0466 -0.0204 738 VAL A C \n297 O O . VAL A 46 ? 0.5589 0.5726 0.7300 0.0814 -0.0537 -0.0191 738 VAL A O \n298 C CB . VAL A 46 ? 0.8603 0.9119 1.0784 0.0884 -0.0403 -0.0188 738 VAL A CB \n299 C CG1 . VAL A 46 ? 0.9984 1.0644 1.2397 0.0942 -0.0378 -0.0193 738 VAL A CG1 \n300 C CG2 . VAL A 46 ? 0.7309 0.7814 0.9458 0.0800 -0.0457 -0.0161 738 VAL A CG2 \n301 N N . LYS A 47 ? 0.6855 0.7094 0.8618 0.0882 -0.0382 -0.0216 739 LYS A N \n302 C CA . LYS A 47 ? 0.7141 0.7284 0.8714 0.0831 -0.0369 -0.0211 739 LYS A CA \n303 C C . LYS A 47 ? 0.5750 0.5997 0.7355 0.0789 -0.0285 -0.0199 739 LYS A C \n304 O O . LYS A 47 ? 0.5541 0.5880 0.7239 0.0827 -0.0208 -0.0208 739 LYS A O \n305 C CB . LYS A 47 ? 0.6464 0.6502 0.7920 0.0884 -0.0352 -0.0236 739 LYS A CB \n306 C CG . LYS A 47 ? 0.8120 0.8031 0.9515 0.0926 -0.0439 -0.0249 739 LYS A CG \n307 C CD . LYS A 47 ? 0.8257 0.8089 0.9573 0.0996 -0.0407 -0.0278 739 LYS A CD \n308 C CE . LYS A 47 ? 0.8535 0.8206 0.9739 0.1026 -0.0498 -0.0290 739 LYS A CE \n309 N NZ . LYS A 47 ? 0.7836 0.7417 0.8942 0.1091 -0.0464 -0.0319 739 LYS A NZ \n310 N N . ILE A 48 ? 0.6242 0.6472 0.7771 0.0711 -0.0299 -0.0179 740 ILE A N \n311 C CA . ILE A 48 ? 0.4873 0.5194 0.6429 0.0670 -0.0229 -0.0167 740 ILE A CA \n312 C C . ILE A 48 ? 0.4382 0.4622 0.5770 0.0627 -0.0210 -0.0165 740 ILE A C \n313 O O . ILE A 48 ? 0.4231 0.4389 0.5512 0.0581 -0.0264 -0.0156 740 ILE A O \n314 C CB . ILE A 48 ? 0.5364 0.5760 0.7005 0.0616 -0.0255 -0.0145 740 ILE A CB \n315 C CG1 . ILE A 48 ? 0.4896 0.5371 0.6711 0.0655 -0.0282 -0.0144 740 ILE A CG1 \n316 C CG2 . ILE A 48 ? 0.4709 0.5188 0.6372 0.0575 -0.0187 -0.0134 740 ILE A CG2 \n317 C CD1 . ILE A 48 ? 0.5101 0.5589 0.6957 0.0605 -0.0348 -0.0124 740 ILE A CD1 \n318 N N . PRO A 49 ? 0.4620 0.4882 0.5985 0.0642 -0.0135 -0.0173 741 PRO A N \n319 C CA . PRO A 49 ? 0.4508 0.4699 0.5724 0.0601 -0.0119 -0.0169 741 PRO A CA \n320 C C . PRO A 49 ? 0.4429 0.4656 0.5636 0.0525 -0.0129 -0.0148 741 PRO A C \n321 O O . PRO A 49 ? 0.4329 0.4659 0.5639 0.0508 -0.0097 -0.0138 741 PRO A O \n322 C CB . PRO A 49 ? 0.4452 0.4677 0.5675 0.0633 -0.0035 -0.0179 741 PRO A CB \n323 C CG . PRO A 49 ? 0.4767 0.5061 0.6123 0.0703 -0.0007 -0.0193 741 PRO A CG \n324 C CD . PRO A 49 ? 0.4725 0.5084 0.6204 0.0690 -0.0059 -0.0182 741 PRO A CD \n325 N N . VAL A 50 ? 0.4513 0.4652 0.5597 0.0480 -0.0172 -0.0141 742 VAL A N \n326 C CA . VAL A 50 ? 0.4420 0.4583 0.5484 0.0411 -0.0184 -0.0124 742 VAL A CA \n327 C C . VAL A 50 ? 0.4083 0.4179 0.5016 0.0373 -0.0178 -0.0121 742 VAL A C \n328 O O . VAL A 50 ? 0.4027 0.4032 0.4862 0.0391 -0.0190 -0.0129 742 VAL A O \n329 C CB . VAL A 50 ? 0.4323 0.4458 0.5388 0.0383 -0.0254 -0.0116 742 VAL A CB \n330 C CG1 . VAL A 50 ? 0.4662 0.4876 0.5870 0.0410 -0.0263 -0.0115 742 VAL A CG1 \n331 C CG2 . VAL A 50 ? 0.4472 0.4481 0.5425 0.0390 -0.0314 -0.0120 742 VAL A CG2 \n332 N N . ALA A 51 ? 0.3559 0.3703 0.4495 0.0322 -0.0161 -0.0109 743 ALA A N \n333 C CA . ALA A 51 ? 0.3627 0.3718 0.4456 0.0275 -0.0169 -0.0102 743 ALA A CA \n334 C C . ALA A 51 ? 0.3415 0.3486 0.4217 0.0227 -0.0219 -0.0092 743 ALA A C \n335 O O . ALA A 51 ? 0.3424 0.3548 0.4298 0.0218 -0.0229 -0.0088 743 ALA A O \n336 C CB . ALA A 51 ? 0.3176 0.3334 0.4030 0.0252 -0.0120 -0.0098 743 ALA A CB \n337 N N . ILE A 52 ? 0.3550 0.3537 0.4241 0.0195 -0.0252 -0.0087 744 ILE A N \n338 C CA . ILE A 52 ? 0.3208 0.3162 0.3852 0.0146 -0.0296 -0.0077 744 ILE A CA \n339 C C . ILE A 52 ? 0.3993 0.3946 0.4576 0.0089 -0.0285 -0.0067 744 ILE A C \n340 O O . ILE A 52 ? 0.3874 0.3772 0.4385 0.0086 -0.0287 -0.0066 744 ILE A O \n341 C CB . ILE A 52 ? 0.3975 0.3817 0.4537 0.0157 -0.0355 -0.0078 744 ILE A CB \n342 C CG1 . ILE A 52 ? 0.4130 0.3977 0.4766 0.0219 -0.0369 -0.0089 744 ILE A CG1 \n343 C CG2 . ILE A 52 ? 0.4103 0.3898 0.4598 0.0098 -0.0399 -0.0065 744 ILE A CG2 \n344 C CD1 . ILE A 52 ? 0.5386 0.5119 0.5948 0.0249 -0.0422 -0.0096 744 ILE A CD1 \n345 N N . LYS A 53 ? 0.3721 0.3735 0.4336 0.0048 -0.0272 -0.0060 745 LYS A N \n346 C CA . LYS A 53 ? 0.3851 0.3878 0.4425 -0.0005 -0.0259 -0.0052 745 LYS A CA \n347 C C . LYS A 53 ? 0.4788 0.4769 0.5293 -0.0056 -0.0295 -0.0042 745 LYS A C \n348 O O . LYS A 53 ? 0.4724 0.4724 0.5253 -0.0068 -0.0302 -0.0042 745 LYS A O \n349 C CB . LYS A 53 ? 0.3374 0.3504 0.4031 -0.0012 -0.0212 -0.0054 745 LYS A CB \n350 C CG . LYS A 53 ? 0.3772 0.3928 0.4406 -0.0058 -0.0196 -0.0047 745 LYS A CG \n351 C CD . LYS A 53 ? 0.3706 0.3945 0.4416 -0.0046 -0.0153 -0.0052 745 LYS A CD \n352 C CE . LYS A 53 ? 0.4141 0.4407 0.4840 -0.0085 -0.0141 -0.0047 745 LYS A CE \n353 N NZ . LYS A 53 ? 0.4602 0.4932 0.5365 -0.0069 -0.0107 -0.0052 745 LYS A NZ \n354 N N . GLU A 54 ? 0.4315 0.4227 0.4729 -0.0089 -0.0318 -0.0033 746 GLU A N \n355 C CA . GLU A 54 ? 0.4188 0.4055 0.4525 -0.0149 -0.0345 -0.0020 746 GLU A CA \n356 C C . GLU A 54 ? 0.5190 0.5125 0.5540 -0.0199 -0.0310 -0.0014 746 GLU A C \n357 O O . GLU A 54 ? 0.5046 0.4993 0.5396 -0.0204 -0.0298 -0.0010 746 GLU A O \n358 C CB . GLU A 54 ? 0.4863 0.4613 0.5092 -0.0159 -0.0395 -0.0012 746 GLU A CB \n359 C CG . GLU A 54 ? 0.5544 0.5226 0.5684 -0.0215 -0.0433 0.0000 746 GLU A CG \n360 C CD . GLU A 54 ? 0.7303 0.6852 0.7338 -0.0210 -0.0494 0.0005 746 GLU A CD \n361 O OE1 . GLU A 54 ? 0.7859 0.7363 0.7852 -0.0204 -0.0505 0.0007 746 GLU A OE1 \n362 O OE2 . GLU A 54 ? 0.7327 0.6809 0.7318 -0.0211 -0.0537 0.0006 746 GLU A OE2 \n363 N N . LEU A 55 ? 0.5468 0.5442 0.5829 -0.0234 -0.0295 -0.0012 747 LEU A N \n364 C CA . LEU A 55 ? 0.6078 0.6135 0.6476 -0.0269 -0.0253 -0.0010 747 LEU A CA \n365 C C . LEU A 55 ? 0.7493 0.7523 0.7821 -0.0331 -0.0262 0.0004 747 LEU A C \n366 O O . LEU A 55 ? 0.6291 0.6230 0.6528 -0.0357 -0.0302 0.0015 747 LEU A O \n367 C CB . LEU A 55 ? 0.5203 0.5318 0.5645 -0.0275 -0.0226 -0.0018 747 LEU A CB \n368 C CG . LEU A 55 ? 0.5849 0.5998 0.6365 -0.0224 -0.0220 -0.0031 747 LEU A CG \n369 C CD1 . LEU A 55 ? 0.6954 0.7155 0.7500 -0.0239 -0.0193 -0.0038 747 LEU A CD1 \n370 C CD2 . LEU A 55 ? 0.5867 0.6064 0.6457 -0.0178 -0.0198 -0.0037 747 LEU A CD2 \n371 N N . ARG A 56 ? 0.8219 0.8329 0.8596 -0.0355 -0.0226 0.0006 748 ARG A N \n372 C CA . ARG A 56 ? 1.1080 1.1195 1.1418 -0.0420 -0.0223 0.0021 748 ARG A CA \n373 C C . ARG A 56 ? 1.0388 1.0509 1.0694 -0.0460 -0.0206 0.0021 748 ARG A C \n374 O O . ARG A 56 ? 0.7229 0.7402 0.7583 -0.0440 -0.0176 0.0007 748 ARG A O \n375 C CB . ARG A 56 ? 1.1845 1.2057 1.2267 -0.0428 -0.0188 0.0020 748 ARG A CB \n376 C CG . ARG A 56 ? 1.3936 1.4149 1.4396 -0.0384 -0.0196 0.0017 748 ARG A CG \n377 C CD . ARG A 56 ? 1.4596 1.4761 1.5009 -0.0413 -0.0228 0.0034 748 ARG A CD \n378 N NE . ARG A 56 ? 1.5199 1.5339 1.5623 -0.0368 -0.0241 0.0030 748 ARG A NE \n379 C CZ . ARG A 56 ? 1.5598 1.5723 1.6013 -0.0384 -0.0260 0.0041 748 ARG A CZ \n380 N NH1 . ARG A 56 ? 1.4878 1.4968 1.5289 -0.0341 -0.0269 0.0035 748 ARG A NH1 \n381 N NH2 . ARG A 56 ? 1.5250 1.5393 1.5659 -0.0444 -0.0269 0.0059 748 ARG A NH2 \n382 N N . GLU A 57 ? 1.2379 1.2438 1.2593 -0.0517 -0.0227 0.0038 749 GLU A N \n383 C CA . GLU A 57 ? 1.3739 1.3784 1.3896 -0.0563 -0.0212 0.0041 749 GLU A CA \n384 C C . GLU A 57 ? 1.4962 1.5115 1.5174 -0.0600 -0.0151 0.0039 749 GLU A C \n385 O O . GLU A 57 ? 1.6001 1.6236 1.6296 -0.0596 -0.0129 0.0039 749 GLU A O \n386 C CB . GLU A 57 ? 1.3684 1.3614 1.3712 -0.0615 -0.0258 0.0061 749 GLU A CB \n387 C CG . GLU A 57 ? 1.5587 1.5401 1.5553 -0.0577 -0.0322 0.0061 749 GLU A CG \n388 C CD . GLU A 57 ? 1.6847 1.6535 1.6677 -0.0629 -0.0374 0.0082 749 GLU A CD \n389 O OE1 . GLU A 57 ? 1.6527 1.6217 1.6305 -0.0700 -0.0358 0.0098 749 GLU A OE1 \n390 O OE2 . GLU A 57 ? 1.8156 1.7743 1.7932 -0.0598 -0.0431 0.0082 749 GLU A OE2 \n391 N N . ALA A 58 ? 1.4459 1.4609 1.4624 -0.0635 -0.0126 0.0037 750 ALA A N \n392 C CA . ALA A 58 ? 1.4919 1.5165 1.5125 -0.0672 -0.0063 0.0033 750 ALA A CA \n393 C C . ALA A 58 ? 1.5944 1.6135 1.6037 -0.0748 -0.0056 0.0049 750 ALA A C \n394 O O . ALA A 58 ? 1.7984 1.8057 1.7963 -0.0764 -0.0100 0.0058 750 ALA A O \n395 C CB . ALA A 58 ? 1.3958 1.4268 1.4228 -0.0632 -0.0021 0.0008 750 ALA A CB \n396 N N . THR A 59 ? 1.5547 1.5824 1.5674 -0.0794 -0.0001 0.0053 751 THR A N \n397 C CA . THR A 59 ? 1.5666 1.5906 1.5692 -0.0871 0.0018 0.0068 751 THR A CA \n398 C C . THR A 59 ? 1.5758 1.5949 1.5705 -0.0869 0.0040 0.0053 751 THR A C \n399 O O . THR A 59 ? 1.4822 1.4902 1.4632 -0.0914 0.0017 0.0065 751 THR A O \n400 C CB . THR A 59 ? 1.4814 1.5178 1.4915 -0.0918 0.0081 0.0075 751 THR A CB \n401 O OG1 . THR A 59 ? 1.2875 1.3301 1.3077 -0.0907 0.0061 0.0084 751 THR A OG1 \n402 C CG2 . THR A 59 ? 1.2617 1.2932 1.2605 -0.1009 0.0093 0.0099 751 THR A CG2 \n403 N N . SER A 60 ? 1.5251 1.5517 1.5280 -0.0818 0.0080 0.0026 752 SER A N \n404 C CA . SER A 60 ? 1.7078 1.7293 1.7041 -0.0805 0.0093 0.0009 752 SER A CA \n405 C C . SER A 60 ? 1.6285 1.6482 1.6299 -0.0729 0.0055 -0.0006 752 SER A C \n406 O O . SER A 60 ? 1.5703 1.5985 1.5817 -0.0682 0.0087 -0.0027 752 SER A O \n407 C CB . SER A 60 ? 1.6547 1.6855 1.6546 -0.0816 0.0178 -0.0009 752 SER A CB \n408 O OG . SER A 60 ? 1.5039 1.5285 1.4960 -0.0802 0.0188 -0.0027 752 SER A OG \n409 N N . PRO A 61 ? 1.5006 1.5094 1.4955 -0.0716 -0.0015 0.0003 753 PRO A N \n410 C CA . PRO A 61 ? 1.3478 1.3554 1.3483 -0.0648 -0.0052 -0.0008 753 PRO A CA \n411 C C . PRO A 61 ? 1.2333 1.2375 1.2304 -0.0631 -0.0046 -0.0024 753 PRO A C \n412 O O . PRO A 61 ? 1.1256 1.1245 1.1123 -0.0674 -0.0028 -0.0024 753 PRO A O \n413 C CB . PRO A 61 ? 1.3646 1.3613 1.3586 -0.0646 -0.0127 0.0008 753 PRO A CB \n414 C CG . PRO A 61 ? 1.3697 1.3608 1.3534 -0.0718 -0.0134 0.0030 753 PRO A CG \n415 C CD . PRO A 61 ? 1.3088 1.3053 1.2904 -0.0766 -0.0064 0.0026 753 PRO A CD \n416 N N . LYS A 62 ? 1.1578 1.1646 1.1629 -0.0570 -0.0062 -0.0037 754 LYS A N \n417 C CA . LYS A 62 ? 0.9913 0.9940 0.9936 -0.0551 -0.0070 -0.0051 754 LYS A CA \n418 C C . LYS A 62 ? 0.9257 0.9148 0.9173 -0.0563 -0.0140 -0.0038 754 LYS A C \n419 O O . LYS A 62 ? 0.9143 0.8987 0.9044 -0.0563 -0.0188 -0.0023 754 LYS A O \n420 C CB . LYS A 62 ? 0.8340 0.8438 0.8488 -0.0487 -0.0069 -0.0065 754 LYS A CB \n421 C CG . LYS A 62 ? 0.8269 0.8487 0.8513 -0.0471 -0.0005 -0.0079 754 LYS A CG \n422 C CD . LYS A 62 ? 0.8297 0.8571 0.8652 -0.0412 -0.0010 -0.0091 754 LYS A CD \n423 C CE . LYS A 62 ? 0.8751 0.9132 0.9194 -0.0396 0.0045 -0.0106 754 LYS A CE \n424 N NZ . LYS A 62 ? 0.8804 0.9229 0.9343 -0.0343 0.0038 -0.0116 754 LYS A NZ \n425 N N . ALA A 63 ? 0.8671 0.8494 0.8510 -0.0573 -0.0150 -0.0045 755 ALA A N \n426 C CA . ALA A 63 ? 0.8306 0.7997 0.8051 -0.0580 -0.0224 -0.0034 755 ALA A CA \n427 C C . ALA A 63 ? 0.7631 0.7333 0.7477 -0.0520 -0.0279 -0.0033 755 ALA A C \n428 O O . ALA A 63 ? 0.6261 0.6060 0.6231 -0.0475 -0.0255 -0.0044 755 ALA A O \n429 C CB . ALA A 63 ? 0.8198 0.7814 0.7843 -0.0600 -0.0223 -0.0043 755 ALA A CB \n430 N N . ASN A 64 ? 0.7207 0.6810 0.7001 -0.0520 -0.0351 -0.0020 756 ASN A N \n431 C CA . ASN A 64 ? 0.7466 0.7080 0.7358 -0.0462 -0.0402 -0.0020 756 ASN A CA \n432 C C . ASN A 64 ? 0.6435 0.6089 0.6407 -0.0426 -0.0403 -0.0031 756 ASN A C \n433 O O . ASN A 64 ? 0.6698 0.6435 0.6800 -0.0376 -0.0398 -0.0036 756 ASN A O \n434 C CB . ASN A 64 ? 0.7970 0.7460 0.7785 -0.0468 -0.0485 -0.0006 756 ASN A CB \n435 C CG . ASN A 64 ? 0.8562 0.8025 0.8338 -0.0484 -0.0495 0.0004 756 ASN A CG \n436 O OD1 . ASN A 64 ? 0.8723 0.8078 0.8422 -0.0494 -0.0560 0.0016 756 ASN A OD1 \n437 N ND2 . ASN A 64 ? 0.8060 0.7616 0.7890 -0.0486 -0.0436 0.0002 756 ASN A ND2 \n438 N N . LYS A 65 ? 0.6292 0.5884 0.6180 -0.0452 -0.0409 -0.0035 757 LYS A N \n439 C CA . LYS A 65 ? 0.6983 0.6592 0.6930 -0.0423 -0.0421 -0.0043 757 LYS A CA \n440 C C . LYS A 65 ? 0.6684 0.6420 0.6741 -0.0396 -0.0354 -0.0058 757 LYS A C \n441 O O . LYS A 65 ? 0.4950 0.4735 0.5108 -0.0357 -0.0365 -0.0061 757 LYS A O \n442 C CB . LYS A 65 ? 0.7462 0.6956 0.7275 -0.0459 -0.0449 -0.0044 757 LYS A CB \n443 C CG . LYS A 65 ? 0.8235 0.7718 0.7942 -0.0503 -0.0382 -0.0054 757 LYS A CG \n444 C CD . LYS A 65 ? 0.8875 0.8232 0.8441 -0.0535 -0.0411 -0.0056 757 LYS A CD \n445 C CE . LYS A 65 ? 1.0394 0.9751 0.9864 -0.0571 -0.0333 -0.0070 757 LYS A CE \n446 N NZ . LYS A 65 ? 1.2974 1.2194 1.2288 -0.0602 -0.0360 -0.0074 757 LYS A NZ \n447 N N . GLU A 66 ? 0.5339 0.5129 0.5379 -0.0417 -0.0287 -0.0065 758 GLU A N \n448 C CA . GLU A 66 ? 0.5727 0.5636 0.5871 -0.0390 -0.0226 -0.0079 758 GLU A CA \n449 C C . GLU A 66 ? 0.5628 0.5620 0.5901 -0.0348 -0.0227 -0.0075 758 GLU A C \n450 O O . GLU A 66 ? 0.5319 0.5383 0.5696 -0.0311 -0.0213 -0.0082 758 GLU A O \n451 C CB . GLU A 66 ? 0.7101 0.7046 0.7198 -0.0424 -0.0158 -0.0087 758 GLU A CB \n452 C CG . GLU A 66 ? 0.9416 0.9464 0.9599 -0.0399 -0.0098 -0.0106 758 GLU A CG \n453 C CD . GLU A 66 ? 1.1205 1.1299 1.1358 -0.0430 -0.0030 -0.0115 758 GLU A CD \n454 O OE1 . GLU A 66 ? 1.3700 1.3894 1.3945 -0.0408 0.0015 -0.0126 758 GLU A OE1 \n455 O OE2 . GLU A 66 ? 1.0307 1.0336 1.0344 -0.0478 -0.0022 -0.0110 758 GLU A OE2 \n456 N N . ILE A 67 ? 0.4829 0.4803 0.5086 -0.0357 -0.0244 -0.0063 759 ILE A N \n457 C CA . ILE A 67 ? 0.4997 0.5022 0.5350 -0.0318 -0.0254 -0.0058 759 ILE A CA \n458 C C . ILE A 67 ? 0.4590 0.4609 0.5016 -0.0275 -0.0299 -0.0056 759 ILE A C \n459 O O . ILE A 67 ? 0.4433 0.4528 0.4968 -0.0236 -0.0284 -0.0059 759 ILE A O \n460 C CB . ILE A 67 ? 0.5400 0.5374 0.5694 -0.0337 -0.0276 -0.0046 759 ILE A CB \n461 C CG1 . ILE A 67 ? 0.5931 0.5944 0.6195 -0.0374 -0.0225 -0.0046 759 ILE A CG1 \n462 C CG2 . ILE A 67 ? 0.5420 0.5415 0.5793 -0.0291 -0.0301 -0.0042 759 ILE A CG2 \n463 C CD1 . ILE A 67 ? 0.5535 0.5491 0.5725 -0.0405 -0.0247 -0.0031 759 ILE A CD1 \n464 N N . LEU A 68 ? 0.4029 0.3958 0.4394 -0.0286 -0.0355 -0.0049 760 LEU A N \n465 C CA . LEU A 68 ? 0.5517 0.5445 0.5960 -0.0249 -0.0403 -0.0046 760 LEU A CA \n466 C C . LEU A 68 ? 0.5372 0.5366 0.5894 -0.0232 -0.0379 -0.0054 760 LEU A C \n467 O O . LEU A 68 ? 0.4592 0.4645 0.5228 -0.0194 -0.0385 -0.0052 760 LEU A O \n468 C CB . LEU A 68 ? 0.4702 0.4514 0.5062 -0.0267 -0.0475 -0.0037 760 LEU A CB \n469 C CG . LEU A 68 ? 0.5156 0.4901 0.5461 -0.0271 -0.0512 -0.0028 760 LEU A CG \n470 C CD1 . LEU A 68 ? 0.6034 0.5646 0.6229 -0.0298 -0.0585 -0.0019 760 LEU A CD1 \n471 C CD2 . LEU A 68 ? 0.4923 0.4723 0.5345 -0.0217 -0.0522 -0.0027 760 LEU A CD2 \n472 N N . ASP A 69 ? 0.4570 0.4554 0.5030 -0.0260 -0.0349 -0.0062 761 ASP A N \n473 C CA . ASP A 69 ? 0.4783 0.4811 0.5297 -0.0247 -0.0330 -0.0071 761 ASP A CA \n474 C C . ASP A 69 ? 0.5570 0.5711 0.6197 -0.0215 -0.0281 -0.0077 761 ASP A C \n475 O O . ASP A 69 ? 0.4906 0.5092 0.5622 -0.0190 -0.0286 -0.0076 761 ASP A O \n476 C CB . ASP A 69 ? 0.5471 0.5453 0.5877 -0.0281 -0.0306 -0.0082 761 ASP A CB \n477 C CG . ASP A 69 ? 0.7236 0.7246 0.7681 -0.0267 -0.0292 -0.0093 761 ASP A CG \n478 O OD1 . ASP A 69 ? 0.6087 0.6131 0.6515 -0.0272 -0.0237 -0.0108 761 ASP A OD1 \n479 O OD2 . ASP A 69 ? 0.5894 0.5891 0.6389 -0.0252 -0.0337 -0.0086 761 ASP A OD2 \n480 N N . GLU A 70 ? 0.4300 0.4482 0.4922 -0.0220 -0.0237 -0.0081 762 GLU A N \n481 C CA . GLU A 70 ? 0.4078 0.4352 0.4794 -0.0193 -0.0196 -0.0085 762 GLU A CA \n482 C C . GLU A 70 ? 0.3738 0.4039 0.4536 -0.0159 -0.0216 -0.0075 762 GLU A C \n483 O O . GLU A 70 ? 0.4230 0.4594 0.5119 -0.0131 -0.0200 -0.0076 762 GLU A O \n484 C CB . GLU A 70 ? 0.4732 0.5038 0.5419 -0.0211 -0.0150 -0.0091 762 GLU A CB \n485 C CG . GLU A 70 ? 0.5558 0.5852 0.6178 -0.0240 -0.0120 -0.0103 762 GLU A CG \n486 C CD . GLU A 70 ? 0.8193 0.8552 0.8829 -0.0248 -0.0066 -0.0112 762 GLU A CD \n487 O OE1 . GLU A 70 ? 0.7418 0.7770 0.7997 -0.0273 -0.0036 -0.0123 762 GLU A OE1 \n488 O OE2 . GLU A 70 ? 0.7233 0.7650 0.7939 -0.0229 -0.0053 -0.0109 762 GLU A OE2 \n489 N N . ALA A 71 ? 0.3592 0.3840 0.4355 -0.0161 -0.0252 -0.0067 763 ALA A N \n490 C CA . ALA A 71 ? 0.3449 0.3718 0.4286 -0.0124 -0.0268 -0.0060 763 ALA A CA \n491 C C . ALA A 71 ? 0.3643 0.3934 0.4565 -0.0100 -0.0294 -0.0056 763 ALA A C \n492 O O . ALA A 71 ? 0.3616 0.3962 0.4631 -0.0066 -0.0284 -0.0054 763 ALA A O \n493 C CB . ALA A 71 ? 0.3676 0.3874 0.4452 -0.0128 -0.0307 -0.0054 763 ALA A CB \n494 N N . TYR A 72 ? 0.3293 0.3539 0.4182 -0.0120 -0.0327 -0.0055 764 TYR A N \n495 C CA . TYR A 72 ? 0.3366 0.3628 0.4338 -0.0102 -0.0361 -0.0047 764 TYR A CA \n496 C C . TYR A 72 ? 0.3166 0.3516 0.4230 -0.0085 -0.0319 -0.0050 764 TYR A C \n497 O O . TYR A 72 ? 0.3194 0.3593 0.4360 -0.0060 -0.0326 -0.0042 764 TYR A O \n498 C CB . TYR A 72 ? 0.3550 0.3738 0.4455 -0.0131 -0.0405 -0.0045 764 TYR A CB \n499 C CG . TYR A 72 ? 0.3434 0.3637 0.4428 -0.0118 -0.0448 -0.0035 764 TYR A CG \n500 C CD1 . TYR A 72 ? 0.3371 0.3606 0.4401 -0.0123 -0.0435 -0.0036 764 TYR A CD1 \n501 C CD2 . TYR A 72 ? 0.3529 0.3714 0.4575 -0.0101 -0.0503 -0.0024 764 TYR A CD2 \n502 C CE1 . TYR A 72 ? 0.4169 0.4418 0.5284 -0.0116 -0.0477 -0.0024 764 TYR A CE1 \n503 C CE2 . TYR A 72 ? 0.3858 0.4066 0.5001 -0.0091 -0.0544 -0.0012 764 TYR A CE2 \n504 C CZ . TYR A 72 ? 0.3495 0.3736 0.4671 -0.0101 -0.0531 -0.0011 764 TYR A CZ \n505 O OH . TYR A 72 ? 0.4096 0.4360 0.5370 -0.0097 -0.0575 0.0002 764 TYR A OH \n506 N N . VAL A 73 ? 0.3378 0.3749 0.4407 -0.0098 -0.0275 -0.0060 765 VAL A N \n507 C CA . VAL A 73 ? 0.3283 0.3725 0.4388 -0.0084 -0.0240 -0.0062 765 VAL A CA \n508 C C . VAL A 73 ? 0.3048 0.3548 0.4224 -0.0055 -0.0212 -0.0059 765 VAL A C \n509 O O . VAL A 73 ? 0.2999 0.3554 0.4260 -0.0037 -0.0199 -0.0053 765 VAL A O \n510 C CB . VAL A 73 ? 0.3849 0.4298 0.4902 -0.0100 -0.0200 -0.0076 765 VAL A CB \n511 C CG1 . VAL A 73 ? 0.4236 0.4747 0.5362 -0.0084 -0.0173 -0.0078 765 VAL A CG1 \n512 C CG2 . VAL A 73 ? 0.4496 0.4878 0.5462 -0.0127 -0.0221 -0.0083 765 VAL A CG2 \n513 N N . MET A 74 ? 0.2829 0.3312 0.3963 -0.0052 -0.0204 -0.0061 766 MET A N \n514 C CA . MET A 74 ? 0.2877 0.3399 0.4058 -0.0024 -0.0179 -0.0059 766 MET A CA \n515 C C . MET A 74 ? 0.3467 0.4001 0.4724 0.0004 -0.0202 -0.0051 766 MET A C \n516 O O . MET A 74 ? 0.3738 0.4322 0.5063 0.0031 -0.0176 -0.0048 766 MET A O \n517 C CB . MET A 74 ? 0.3460 0.3948 0.4566 -0.0031 -0.0169 -0.0063 766 MET A CB \n518 C CG . MET A 74 ? 0.4095 0.4587 0.5145 -0.0059 -0.0141 -0.0071 766 MET A CG \n519 S SD . MET A 74 ? 0.4008 0.4444 0.4965 -0.0079 -0.0150 -0.0070 766 MET A SD \n520 C CE . MET A 74 ? 0.3262 0.3728 0.4185 -0.0109 -0.0110 -0.0077 766 MET A CE \n521 N N . ALA A 75 ? 0.2656 0.3147 0.3904 0.0000 -0.0252 -0.0046 767 ALA A N \n522 C CA . ALA A 75 ? 0.2975 0.3484 0.4312 0.0028 -0.0281 -0.0038 767 ALA A CA \n523 C C . ALA A 75 ? 0.3196 0.3760 0.4633 0.0030 -0.0287 -0.0029 767 ALA A C \n524 O O . ALA A 75 ? 0.3746 0.4355 0.5286 0.0056 -0.0296 -0.0021 767 ALA A O \n525 C CB . ALA A 75 ? 0.2950 0.3382 0.4237 0.0022 -0.0341 -0.0035 767 ALA A CB \n526 N N . SER A 76 ? 0.3572 0.4132 0.4980 0.0002 -0.0282 -0.0029 768 SER A N \n527 C CA . SER A 76 ? 0.3946 0.4539 0.5428 -0.0004 -0.0299 -0.0019 768 SER A CA \n528 C C . SER A 76 ? 0.3727 0.4399 0.5288 0.0006 -0.0249 -0.0016 768 SER A C \n529 O O . SER A 76 ? 0.4448 0.5159 0.6088 0.0002 -0.0260 -0.0004 768 SER A O \n530 C CB . SER A 76 ? 0.3198 0.3734 0.4595 -0.0039 -0.0318 -0.0024 768 SER A CB \n531 O OG . SER A 76 ? 0.4849 0.5409 0.6219 -0.0045 -0.0270 -0.0033 768 SER A OG \n532 N N . VAL A 77 ? 0.3042 0.3734 0.4578 0.0018 -0.0200 -0.0024 769 VAL A N \n533 C CA . VAL A 77 ? 0.3247 0.3998 0.4835 0.0024 -0.0155 -0.0021 769 VAL A CA \n534 C C . VAL A 77 ? 0.3687 0.4501 0.5386 0.0048 -0.0140 -0.0009 769 VAL A C \n535 O O . VAL A 77 ? 0.4329 0.5147 0.6052 0.0074 -0.0141 -0.0011 769 VAL A O \n536 C CB . VAL A 77 ? 0.3814 0.4560 0.5338 0.0027 -0.0111 -0.0032 769 VAL A CB \n537 C CG1 . VAL A 77 ? 0.3608 0.4310 0.5044 0.0002 -0.0118 -0.0043 769 VAL A CG1 \n538 C CG2 . VAL A 77 ? 0.4688 0.5418 0.6187 0.0050 -0.0101 -0.0037 769 VAL A CG2 \n539 N N . ASP A 78 ? 0.3175 0.4037 0.4942 0.0039 -0.0127 0.0001 770 ASP A N \n540 C CA . ASP A 78 ? 0.4067 0.4999 0.5951 0.0056 -0.0111 0.0015 770 ASP A CA \n541 C C . ASP A 78 ? 0.3131 0.4103 0.5035 0.0047 -0.0064 0.0021 770 ASP A C \n542 O O . ASP A 78 ? 0.3297 0.4285 0.5234 0.0022 -0.0076 0.0033 770 ASP A O \n543 C CB . ASP A 78 ? 0.3660 0.4609 0.5627 0.0044 -0.0164 0.0030 770 ASP A CB \n544 C CG . ASP A 78 ? 0.4215 0.5249 0.6323 0.0062 -0.0148 0.0045 770 ASP A CG \n545 O OD1 . ASP A 78 ? 0.4180 0.5248 0.6312 0.0093 -0.0102 0.0039 770 ASP A OD1 \n546 O OD2 . ASP A 78 ? 0.6700 0.7767 0.8894 0.0044 -0.0181 0.0062 770 ASP A OD2 \n547 N N . ASN A 79 ? 0.2585 0.3563 0.4459 0.0066 -0.0014 0.0013 771 ASN A N \n548 C CA . ASN A 79 ? 0.2689 0.3689 0.4561 0.0058 0.0031 0.0018 771 ASN A CA \n549 C C . ASN A 79 ? 0.2652 0.3663 0.4515 0.0088 0.0081 0.0013 771 ASN A C \n550 O O . ASN A 79 ? 0.3167 0.4140 0.4974 0.0109 0.0079 0.0000 771 ASN A O \n551 C CB . ASN A 79 ? 0.3097 0.4047 0.4873 0.0038 0.0027 0.0009 771 ASN A CB \n552 C CG . ASN A 79 ? 0.3228 0.4187 0.4991 0.0029 0.0065 0.0014 771 ASN A CG \n553 O OD1 . ASN A 79 ? 0.3208 0.4155 0.4928 0.0043 0.0101 0.0008 771 ASN A OD1 \n554 N ND2 . ASN A 79 ? 0.3130 0.4101 0.4923 0.0003 0.0054 0.0027 771 ASN A ND2 \n555 N N . PRO A 80 ? 0.3693 0.4748 0.5601 0.0089 0.0128 0.0023 772 PRO A N \n556 C CA . PRO A 80 ? 0.3736 0.4796 0.5632 0.0119 0.0180 0.0018 772 PRO A CA \n557 C C . PRO A 80 ? 0.3282 0.4272 0.5054 0.0126 0.0194 0.0003 772 PRO A C \n558 O O . PRO A 80 ? 0.2973 0.3944 0.4712 0.0155 0.0223 -0.0005 772 PRO A O \n559 C CB . PRO A 80 ? 0.4673 0.5783 0.6622 0.0105 0.0226 0.0034 772 PRO A CB \n560 C CG . PRO A 80 ? 0.5154 0.6308 0.7190 0.0075 0.0190 0.0051 772 PRO A CG \n561 C CD . PRO A 80 ? 0.3635 0.4734 0.5611 0.0060 0.0132 0.0043 772 PRO A CD \n562 N N . HIS A 81 ? 0.3168 0.4120 0.4874 0.0100 0.0173 0.0000 773 HIS A N \n563 C CA . HIS A 81 ? 0.3260 0.4151 0.4860 0.0103 0.0182 -0.0011 773 HIS A CA \n564 C C . HIS A 81 ? 0.2991 0.3839 0.4534 0.0100 0.0142 -0.0023 773 HIS A C \n565 O O . HIS A 81 ? 0.3228 0.4035 0.4695 0.0093 0.0140 -0.0031 773 HIS A O \n566 C CB . HIS A 81 ? 0.2993 0.3870 0.4558 0.0080 0.0198 -0.0005 773 HIS A CB \n567 C CG . HIS A 81 ? 0.4032 0.4948 0.5647 0.0075 0.0238 0.0010 773 HIS A CG \n568 N ND1 . HIS A 81 ? 0.3713 0.4632 0.5321 0.0096 0.0287 0.0010 773 HIS A ND1 \n569 C CD2 . HIS A 81 ? 0.4626 0.5579 0.6300 0.0050 0.0236 0.0025 773 HIS A CD2 \n570 C CE1 . HIS A 81 ? 0.3658 0.4619 0.5319 0.0082 0.0319 0.0026 773 HIS A CE1 \n571 N NE2 . HIS A 81 ? 0.3285 0.4267 0.4988 0.0053 0.0287 0.0037 773 HIS A NE2 \n572 N N . VAL A 82 ? 0.3293 0.4152 0.4873 0.0103 0.0110 -0.0024 774 VAL A N \n573 C CA . VAL A 82 ? 0.3244 0.4062 0.4768 0.0097 0.0074 -0.0034 774 VAL A CA \n574 C C . VAL A 82 ? 0.3232 0.4040 0.4771 0.0121 0.0058 -0.0037 774 VAL A C \n575 O O . VAL A 82 ? 0.3463 0.4307 0.5081 0.0131 0.0048 -0.0030 774 VAL A O \n576 C CB . VAL A 82 ? 0.4008 0.4826 0.5538 0.0070 0.0039 -0.0034 774 VAL A CB \n577 C CG1 . VAL A 82 ? 0.2900 0.3672 0.4357 0.0060 0.0013 -0.0044 774 VAL A CG1 \n578 C CG2 . VAL A 82 ? 0.3588 0.4417 0.5116 0.0051 0.0050 -0.0031 774 VAL A CG2 \n579 N N . CYS A 83 ? 0.3192 0.3949 0.4656 0.0130 0.0053 -0.0047 775 CYS A N \n580 C CA . CYS A 83 ? 0.3447 0.4175 0.4903 0.0149 0.0027 -0.0051 775 CYS A CA \n581 C C . CYS A 83 ? 0.3218 0.3934 0.4678 0.0129 -0.0021 -0.0049 775 CYS A C \n582 O O . CYS A 83 ? 0.3820 0.4530 0.5251 0.0098 -0.0033 -0.0049 775 CYS A O \n583 C CB . CYS A 83 ? 0.3039 0.3703 0.4397 0.0154 0.0027 -0.0059 775 CYS A CB \n584 S SG . CYS A 83 ? 0.3937 0.4590 0.5269 0.0183 0.0077 -0.0063 775 CYS A SG \n585 N N . ARG A 84 ? 0.2800 0.3504 0.4288 0.0146 -0.0051 -0.0049 776 ARG A N \n586 C CA . ARG A 84 ? 0.2602 0.3277 0.4076 0.0125 -0.0103 -0.0047 776 ARG A CA \n587 C C . ARG A 84 ? 0.2505 0.3112 0.3915 0.0133 -0.0138 -0.0052 776 ARG A C \n588 O O . ARG A 84 ? 0.2948 0.3540 0.4357 0.0166 -0.0130 -0.0056 776 ARG A O \n589 C CB . ARG A 84 ? 0.3903 0.4623 0.5478 0.0127 -0.0125 -0.0036 776 ARG A CB \n590 C CG . ARG A 84 ? 0.4227 0.4956 0.5870 0.0161 -0.0147 -0.0035 776 ARG A CG \n591 C CD . ARG A 84 ? 0.6046 0.6802 0.7774 0.0151 -0.0191 -0.0023 776 ARG A CD \n592 N NE . ARG A 84 ? 0.5696 0.6437 0.7469 0.0181 -0.0231 -0.0023 776 ARG A NE \n593 C CZ . ARG A 84 ? 0.6357 0.7027 0.8077 0.0171 -0.0293 -0.0024 776 ARG A CZ \n594 N NH1 . ARG A 84 ? 0.5065 0.5672 0.6682 0.0130 -0.0318 -0.0024 776 ARG A NH1 \n595 N NH2 . ARG A 84 ? 0.7123 0.7782 0.8893 0.0203 -0.0332 -0.0025 776 ARG A NH2 \n596 N N . LEU A 85 ? 0.3523 0.4081 0.4866 0.0102 -0.0174 -0.0052 777 LEU A N \n597 C CA . LEU A 85 ? 0.4424 0.4906 0.5692 0.0099 -0.0214 -0.0054 777 LEU A CA \n598 C C . LEU A 85 ? 0.4605 0.5081 0.5937 0.0124 -0.0258 -0.0050 777 LEU A C \n599 O O . LEU A 85 ? 0.3983 0.4489 0.5381 0.0117 -0.0278 -0.0043 777 LEU A O \n600 C CB . LEU A 85 ? 0.4243 0.4679 0.5421 0.0053 -0.0233 -0.0054 777 LEU A CB \n601 C CG . LEU A 85 ? 0.4833 0.5186 0.5902 0.0034 -0.0260 -0.0055 777 LEU A CG \n602 C CD1 . LEU A 85 ? 0.4002 0.4347 0.5036 0.0047 -0.0231 -0.0059 777 LEU A CD1 \n603 C CD2 . LEU A 85 ? 0.4528 0.4854 0.5520 -0.0013 -0.0263 -0.0055 777 LEU A CD2 \n604 N N . LEU A 86 ? 0.3919 0.4355 0.5237 0.0155 -0.0275 -0.0055 778 LEU A N \n605 C CA . LEU A 86 ? 0.4094 0.4519 0.5474 0.0184 -0.0323 -0.0053 778 LEU A CA \n606 C C . LEU A 86 ? 0.4495 0.4823 0.5785 0.0159 -0.0390 -0.0050 778 LEU A C \n607 O O . LEU A 86 ? 0.5158 0.5470 0.6488 0.0162 -0.0444 -0.0044 778 LEU A O \n608 C CB . LEU A 86 ? 0.3567 0.3996 0.4982 0.0238 -0.0307 -0.0062 778 LEU A CB \n609 C CG . LEU A 86 ? 0.4776 0.5295 0.6286 0.0272 -0.0242 -0.0065 778 LEU A CG \n610 C CD1 . LEU A 86 ? 0.4629 0.5123 0.6132 0.0324 -0.0227 -0.0078 778 LEU A CD1 \n611 C CD2 . LEU A 86 ? 0.6299 0.6907 0.7954 0.0281 -0.0243 -0.0056 778 LEU A CD2 \n612 N N . GLY A 87 ? 0.4424 0.4684 0.5588 0.0131 -0.0390 -0.0053 779 GLY A N \n613 C CA . GLY A 87 ? 0.4418 0.4575 0.5480 0.0106 -0.0450 -0.0050 779 GLY A CA \n614 C C . GLY A 87 ? 0.4039 0.4142 0.4970 0.0060 -0.0437 -0.0049 779 GLY A C \n615 O O . GLY A 87 ? 0.4021 0.4163 0.4942 0.0052 -0.0384 -0.0052 779 GLY A O \n616 N N . ILE A 88 ? 0.4339 0.4348 0.5170 0.0027 -0.0487 -0.0044 780 ILE A N \n617 C CA . ILE A 88 ? 0.3940 0.3896 0.4647 -0.0022 -0.0478 -0.0041 780 ILE A CA \n618 C C . ILE A 88 ? 0.4611 0.4446 0.5213 -0.0038 -0.0544 -0.0035 780 ILE A C \n619 O O . ILE A 88 ? 0.4409 0.4199 0.5025 -0.0023 -0.0601 -0.0033 780 ILE A O \n620 C CB . ILE A 88 ? 0.4429 0.4416 0.5115 -0.0068 -0.0451 -0.0039 780 ILE A CB \n621 C CG1 . ILE A 88 ? 0.4507 0.4467 0.5088 -0.0118 -0.0426 -0.0037 780 ILE A CG1 \n622 C CG2 . ILE A 88 ? 0.4840 0.4783 0.5513 -0.0084 -0.0499 -0.0034 780 ILE A CG2 \n623 C CD1 . ILE A 88 ? 0.5010 0.5021 0.5590 -0.0151 -0.0383 -0.0039 780 ILE A CD1 \n624 N N . CYS A 89 ? 0.4241 0.4021 0.4739 -0.0069 -0.0539 -0.0032 781 CYS A N \n625 C CA . CYS A 89 ? 0.5001 0.4657 0.5380 -0.0093 -0.0600 -0.0024 781 CYS A CA \n626 C C . CYS A 89 ? 0.5421 0.5047 0.5688 -0.0162 -0.0579 -0.0016 781 CYS A C \n627 O O . CYS A 89 ? 0.5386 0.5047 0.5643 -0.0174 -0.0536 -0.0016 781 CYS A O \n628 C CB . CYS A 89 ? 0.5332 0.4940 0.5704 -0.0050 -0.0626 -0.0029 781 CYS A CB \n629 S SG . CYS A 89 ? 0.6760 0.6198 0.6973 -0.0079 -0.0708 -0.0019 781 CYS A SG \n630 N N . LEU A 90 ? 0.5191 0.4755 0.5376 -0.0208 -0.0607 -0.0008 782 LEU A N \n631 C CA . LEU A 90 ? 0.6776 0.6306 0.6849 -0.0277 -0.0585 0.0000 782 LEU A CA \n632 C C . LEU A 90 ? 0.7556 0.6950 0.7494 -0.0309 -0.0645 0.0012 782 LEU A C \n633 O O . LEU A 90 ? 0.7032 0.6334 0.6929 -0.0299 -0.0713 0.0015 782 LEU A O \n634 C CB . LEU A 90 ? 0.6064 0.5606 0.6114 -0.0313 -0.0568 0.0000 782 LEU A CB \n635 C CG . LEU A 90 ? 0.6390 0.6052 0.6562 -0.0286 -0.0516 -0.0011 782 LEU A CG \n636 C CD1 . LEU A 90 ? 0.7460 0.7101 0.7589 -0.0317 -0.0516 -0.0012 782 LEU A CD1 \n637 C CD2 . LEU A 90 ? 0.5959 0.5721 0.6179 -0.0289 -0.0445 -0.0016 782 LEU A CD2 \n638 N N . THR A 91 ? 0.7468 0.6851 0.7344 -0.0344 -0.0624 0.0019 783 THR A N \n639 C CA . THR A 91 ? 0.7666 0.6920 0.7401 -0.0387 -0.0675 0.0034 783 THR A CA \n640 C C . THR A 91 ? 0.7453 0.6729 0.7121 -0.0461 -0.0626 0.0046 783 THR A C \n641 O O . THR A 91 ? 0.8968 0.8296 0.8639 -0.0493 -0.0582 0.0044 783 THR A O \n642 C CB . THR A 91 ? 0.7592 0.6801 0.7327 -0.0347 -0.0709 0.0033 783 THR A CB \n643 O OG1 . THR A 91 ? 0.8318 0.7621 0.8118 -0.0336 -0.0651 0.0029 783 THR A OG1 \n644 C CG2 . THR A 91 ? 0.7956 0.7151 0.7768 -0.0269 -0.0752 0.0020 783 THR A CG2 \n645 N N . SER A 92 ? 0.8181 0.7420 0.7791 -0.0488 -0.0633 0.0057 784 SER A N \n646 C CA . SER A 92 ? 0.8307 0.7600 0.7893 -0.0549 -0.0580 0.0068 784 SER A CA \n647 C C . SER A 92 ? 0.8727 0.8166 0.8451 -0.0515 -0.0513 0.0055 784 SER A C \n648 O O . SER A 92 ? 0.9563 0.9082 0.9308 -0.0555 -0.0458 0.0059 784 SER A O \n649 C CB . SER A 92 ? 0.8791 0.7990 0.8272 -0.0591 -0.0618 0.0086 784 SER A CB \n650 O OG . SER A 92 ? 1.0234 0.9409 0.9749 -0.0533 -0.0650 0.0080 784 SER A OG \n651 N N . THR A 93 ? 0.7430 0.6904 0.7247 -0.0441 -0.0520 0.0041 785 THR A N \n652 C CA . THR A 93 ? 0.6585 0.6185 0.6529 -0.0403 -0.0463 0.0028 785 THR A CA \n653 C C . THR A 93 ? 0.6217 0.5874 0.6258 -0.0348 -0.0452 0.0012 785 THR A C \n654 O O . THR A 93 ? 0.6195 0.5790 0.6218 -0.0328 -0.0497 0.0010 785 THR A O \n655 C CB . THR A 93 ? 0.6707 0.6299 0.6675 -0.0363 -0.0474 0.0026 785 THR A CB \n656 O OG1 . THR A 93 ? 0.6428 0.5963 0.6407 -0.0302 -0.0518 0.0017 785 THR A OG1 \n657 C CG2 . THR A 93 ? 0.7795 0.7315 0.7663 -0.0414 -0.0498 0.0044 785 THR A CG2 \n658 N N . VAL A 94 ? 0.5854 0.5625 0.5998 -0.0327 -0.0397 0.0002 786 VAL A N \n659 C CA . VAL A 94 ? 0.4870 0.4702 0.5118 -0.0273 -0.0385 -0.0010 786 VAL A CA \n660 C C . VAL A 94 ? 0.4544 0.4397 0.4859 -0.0213 -0.0385 -0.0017 786 VAL A C \n661 O O . VAL A 94 ? 0.4946 0.4834 0.5278 -0.0211 -0.0357 -0.0017 786 VAL A O \n662 C CB . VAL A 94 ? 0.4730 0.4664 0.5045 -0.0281 -0.0327 -0.0018 786 VAL A CB \n663 C CG1 . VAL A 94 ? 0.6057 0.6046 0.6474 -0.0231 -0.0321 -0.0029 786 VAL A CG1 \n664 C CG2 . VAL A 94 ? 0.6032 0.5943 0.6272 -0.0338 -0.0320 -0.0014 786 VAL A CG2 \n665 N N . GLN A 95 ? 0.4584 0.4416 0.4940 -0.0164 -0.0415 -0.0023 787 GLN A N \n666 C CA . GLN A 95 ? 0.4419 0.4279 0.4847 -0.0103 -0.0406 -0.0032 787 GLN A CA \n667 C C . GLN A 95 ? 0.4876 0.4817 0.5422 -0.0061 -0.0385 -0.0041 787 GLN A C \n668 O O . GLN A 95 ? 0.4376 0.4302 0.4943 -0.0055 -0.0416 -0.0041 787 GLN A O \n669 C CB . GLN A 95 ? 0.4872 0.4634 0.5248 -0.0074 -0.0459 -0.0033 787 GLN A CB \n670 C CG . GLN A 95 ? 0.4922 0.4603 0.5186 -0.0106 -0.0478 -0.0024 787 GLN A CG \n671 C CD . GLN A 95 ? 0.5414 0.4986 0.5618 -0.0074 -0.0535 -0.0026 787 GLN A CD \n672 O OE1 . GLN A 95 ? 0.5364 0.4926 0.5583 -0.0028 -0.0529 -0.0035 787 GLN A OE1 \n673 N NE2 . GLN A 95 ? 0.5690 0.5172 0.5821 -0.0096 -0.0592 -0.0019 787 GLN A NE2 \n674 N N . LEU A 96 ? 0.4084 0.4104 0.4705 -0.0035 -0.0337 -0.0047 788 LEU A N \n675 C CA . LEU A 96 ? 0.4189 0.4292 0.4925 0.0000 -0.0311 -0.0053 788 LEU A CA \n676 C C . LEU A 96 ? 0.3588 0.3698 0.4380 0.0059 -0.0307 -0.0060 788 LEU A C \n677 O O . LEU A 96 ? 0.3879 0.3967 0.4640 0.0075 -0.0293 -0.0064 788 LEU A O \n678 C CB . LEU A 96 ? 0.3852 0.4036 0.4629 -0.0015 -0.0258 -0.0055 788 LEU A CB \n679 C CG . LEU A 96 ? 0.4145 0.4337 0.4876 -0.0069 -0.0248 -0.0052 788 LEU A CG \n680 C CD1 . LEU A 96 ? 0.4062 0.4335 0.4846 -0.0071 -0.0198 -0.0056 788 LEU A CD1 \n681 C CD2 . LEU A 96 ? 0.4478 0.4656 0.5206 -0.0085 -0.0273 -0.0050 788 LEU A CD2 \n682 N N . ILE A 97 ? 0.3539 0.3682 0.4418 0.0092 -0.0318 -0.0063 789 ILE A N \n683 C CA . ILE A 97 ? 0.3293 0.3447 0.4232 0.0151 -0.0311 -0.0071 789 ILE A CA \n684 C C . ILE A 97 ? 0.2834 0.3092 0.3895 0.0174 -0.0266 -0.0072 789 ILE A C \n685 O O . ILE A 97 ? 0.3709 0.4010 0.4826 0.0158 -0.0273 -0.0067 789 ILE A O \n686 C CB . ILE A 97 ? 0.3966 0.4059 0.4906 0.0178 -0.0371 -0.0072 789 ILE A CB \n687 C CG1 . ILE A 97 ? 0.4513 0.4488 0.5317 0.0155 -0.0416 -0.0070 789 ILE A CG1 \n688 C CG2 . ILE A 97 ? 0.4095 0.4218 0.5122 0.0246 -0.0357 -0.0083 789 ILE A CG2 \n689 C CD1 . ILE A 97 ? 0.4681 0.4609 0.5414 0.0096 -0.0455 -0.0059 789 ILE A CD1 \n690 N N . THR A 98 ? 0.2715 0.3003 0.3804 0.0209 -0.0222 -0.0079 790 THR A N \n691 C CA . THR A 98 ? 0.2916 0.3298 0.4109 0.0227 -0.0173 -0.0078 790 THR A CA \n692 C C . THR A 98 ? 0.3129 0.3524 0.4365 0.0283 -0.0142 -0.0088 790 THR A C \n693 O O . THR A 98 ? 0.3240 0.3564 0.4406 0.0308 -0.0151 -0.0096 790 THR A O \n694 C CB . THR A 98 ? 0.3272 0.3689 0.4444 0.0193 -0.0132 -0.0075 790 THR A CB \n695 O OG1 . THR A 98 ? 0.3717 0.4218 0.4986 0.0202 -0.0094 -0.0072 790 THR A OG1 \n696 C CG2 . THR A 98 ? 0.3465 0.3837 0.4556 0.0200 -0.0109 -0.0080 790 THR A CG2 \n697 N N . GLN A 99 ? 0.3274 0.3756 0.4620 0.0304 -0.0104 -0.0086 791 GLN A N \n698 C CA . GLN A 99 ? 0.3985 0.4489 0.5376 0.0357 -0.0063 -0.0096 791 GLN A CA \n699 C C . GLN A 99 ? 0.3728 0.4180 0.5017 0.0361 -0.0026 -0.0103 791 GLN A C \n700 O O . GLN A 99 ? 0.3690 0.4150 0.4939 0.0325 -0.0004 -0.0097 791 GLN A O \n701 C CB . GLN A 99 ? 0.3732 0.4343 0.5255 0.0367 -0.0021 -0.0089 791 GLN A CB \n702 C CG . GLN A 99 ? 0.4730 0.5375 0.6303 0.0419 0.0035 -0.0099 791 GLN A CG \n703 C CD . GLN A 99 ? 0.6244 0.7001 0.7950 0.0420 0.0079 -0.0089 791 GLN A CD \n704 O OE1 . GLN A 99 ? 0.5789 0.6593 0.7541 0.0380 0.0067 -0.0075 791 GLN A OE1 \n705 N NE2 . GLN A 99 ? 0.6961 0.7758 0.8724 0.0466 0.0132 -0.0097 791 GLN A NE2 \n706 N N . LEU A 100 ? 0.3403 0.3796 0.4645 0.0404 -0.0023 -0.0116 792 LEU A N \n707 C CA . LEU A 100 ? 0.3815 0.4147 0.4952 0.0410 0.0007 -0.0123 792 LEU A CA \n708 C C . LEU A 100 ? 0.4952 0.5346 0.6133 0.0422 0.0078 -0.0122 792 LEU A C \n709 O O . LEU A 100 ? 0.3776 0.4238 0.5059 0.0456 0.0112 -0.0126 792 LEU A O \n710 C CB . LEU A 100 ? 0.3286 0.3526 0.4351 0.0457 -0.0007 -0.0138 792 LEU A CB \n711 C CG . LEU A 100 ? 0.3904 0.4062 0.4846 0.0465 0.0017 -0.0145 792 LEU A CG \n712 C CD1 . LEU A 100 ? 0.3710 0.3815 0.4552 0.0404 -0.0016 -0.0133 792 LEU A CD1 \n713 C CD2 . LEU A 100 ? 0.3924 0.3992 0.4802 0.0522 0.0008 -0.0164 792 LEU A CD2 \n714 N N . MET A 101 ? 0.3887 0.4258 0.4994 0.0390 0.0098 -0.0118 793 MET A N \n715 C CA . MET A 101 ? 0.4374 0.4782 0.5495 0.0396 0.0161 -0.0117 793 MET A CA \n716 C C . MET A 101 ? 0.4038 0.4348 0.5036 0.0420 0.0180 -0.0128 793 MET A C \n717 O O . MET A 101 ? 0.3648 0.3892 0.4544 0.0390 0.0162 -0.0124 793 MET A O \n718 C CB . MET A 101 ? 0.3443 0.3889 0.4569 0.0344 0.0166 -0.0103 793 MET A CB \n719 C CG . MET A 101 ? 0.5458 0.5983 0.6684 0.0316 0.0145 -0.0092 793 MET A CG \n720 S SD . MET A 101 ? 0.6483 0.7117 0.7850 0.0333 0.0192 -0.0086 793 MET A SD \n721 C CE . MET A 101 ? 0.5493 0.6154 0.6950 0.0360 0.0150 -0.0089 793 MET A CE \n722 N N . PRO A 102 ? 0.4067 0.4365 0.5073 0.0476 0.0216 -0.0142 794 PRO A N \n723 C CA . PRO A 102 ? 0.3543 0.3727 0.4416 0.0503 0.0223 -0.0156 794 PRO A CA \n724 C C . PRO A 102 ? 0.3264 0.3414 0.4058 0.0494 0.0273 -0.0154 794 PRO A C \n725 O O . PRO A 102 ? 0.4113 0.4156 0.4780 0.0509 0.0272 -0.0163 794 PRO A O \n726 C CB . PRO A 102 ? 0.5040 0.5228 0.5959 0.0572 0.0246 -0.0174 794 PRO A CB \n727 C CG . PRO A 102 ? 0.5059 0.5383 0.6140 0.0577 0.0286 -0.0168 794 PRO A CG \n728 C CD . PRO A 102 ? 0.5088 0.5471 0.6225 0.0518 0.0246 -0.0148 794 PRO A CD \n729 N N . PHE A 103 ? 0.3433 0.3664 0.4292 0.0467 0.0310 -0.0142 795 PHE A N \n730 C CA . PHE A 103 ? 0.3946 0.4129 0.4713 0.0448 0.0343 -0.0138 795 PHE A CA \n731 C C . PHE A 103 ? 0.3683 0.3813 0.4371 0.0396 0.0291 -0.0127 795 PHE A C \n732 O O . PHE A 103 ? 0.4552 0.4619 0.5145 0.0380 0.0302 -0.0123 795 PHE A O \n733 C CB . PHE A 103 ? 0.4566 0.4837 0.5413 0.0439 0.0403 -0.0129 795 PHE A CB \n734 C CG . PHE A 103 ? 0.5572 0.5894 0.6490 0.0489 0.0466 -0.0140 795 PHE A CG \n735 C CD1 . PHE A 103 ? 0.6227 0.6676 0.7299 0.0487 0.0492 -0.0130 795 PHE A CD1 \n736 C CD2 . PHE A 103 ? 0.7015 0.7257 0.7848 0.0540 0.0497 -0.0159 795 PHE A CD2 \n737 C CE1 . PHE A 103 ? 0.8664 0.9173 0.9819 0.0532 0.0551 -0.0139 795 PHE A CE1 \n738 C CE2 . PHE A 103 ? 0.7734 0.8031 0.8642 0.0591 0.0560 -0.0171 795 PHE A CE2 \n739 C CZ . PHE A 103 ? 0.8085 0.8523 0.9161 0.0586 0.0588 -0.0161 795 PHE A CZ \n740 N N . GLY A 104 ? 0.3761 0.3917 0.4489 0.0371 0.0236 -0.0121 796 GLY A N \n741 C CA . GLY A 104 ? 0.4056 0.4165 0.4716 0.0324 0.0185 -0.0111 796 GLY A CA \n742 C C . GLY A 104 ? 0.3938 0.4113 0.4649 0.0280 0.0185 -0.0098 796 GLY A C \n743 O O . GLY A 104 ? 0.3608 0.3869 0.4414 0.0280 0.0215 -0.0094 796 GLY A O \n744 N N . CYS A 105 ? 0.3610 0.3744 0.4261 0.0243 0.0149 -0.0091 797 CYS A N \n745 C CA . CYS A 105 ? 0.3421 0.3614 0.4121 0.0206 0.0147 -0.0081 797 CYS A CA \n746 C C . CYS A 105 ? 0.3611 0.3783 0.4274 0.0204 0.0179 -0.0077 797 CYS A C \n747 O O . CYS A 105 ? 0.3583 0.3670 0.4150 0.0222 0.0196 -0.0081 797 CYS A O \n748 C CB . CYS A 105 ? 0.5173 0.5354 0.5852 0.0167 0.0096 -0.0075 797 CYS A CB \n749 S SG . CYS A 105 ? 0.7160 0.7223 0.7704 0.0157 0.0067 -0.0072 797 CYS A SG \n750 N N . LEU A 106 ? 0.4149 0.4386 0.4878 0.0182 0.0186 -0.0069 798 LEU A N \n751 C CA . LEU A 106 ? 0.4063 0.4280 0.4759 0.0174 0.0212 -0.0064 798 LEU A CA \n752 C C . LEU A 106 ? 0.3466 0.3595 0.4060 0.0155 0.0179 -0.0061 798 LEU A C \n753 O O . LEU A 106 ? 0.3853 0.3915 0.4369 0.0157 0.0196 -0.0059 798 LEU A O \n754 C CB . LEU A 106 ? 0.3199 0.3500 0.3987 0.0152 0.0218 -0.0056 798 LEU A CB \n755 C CG . LEU A 106 ? 0.3493 0.3778 0.4257 0.0144 0.0248 -0.0049 798 LEU A CG \n756 C CD1 . LEU A 106 ? 0.4080 0.4343 0.4812 0.0171 0.0306 -0.0050 798 LEU A CD1 \n757 C CD2 . LEU A 106 ? 0.3291 0.3657 0.4149 0.0124 0.0248 -0.0041 798 LEU A CD2 \n758 N N . LEU A 107 ? 0.3785 0.3911 0.4379 0.0135 0.0130 -0.0060 799 LEU A N \n759 C CA . LEU A 107 ? 0.3699 0.3747 0.4209 0.0114 0.0092 -0.0055 799 LEU A CA \n760 C C . LEU A 107 ? 0.4027 0.3960 0.4413 0.0135 0.0096 -0.0059 799 LEU A C \n761 O O . LEU A 107 ? 0.3910 0.3759 0.4204 0.0129 0.0090 -0.0055 799 LEU A O \n762 C CB . LEU A 107 ? 0.3957 0.4033 0.4501 0.0087 0.0043 -0.0052 799 LEU A CB \n763 C CG . LEU A 107 ? 0.3809 0.3812 0.4279 0.0063 -0.0002 -0.0044 799 LEU A CG \n764 C CD1 . LEU A 107 ? 0.4512 0.4507 0.4980 0.0050 -0.0009 -0.0039 799 LEU A CD1 \n765 C CD2 . LEU A 107 ? 0.4496 0.4535 0.5005 0.0034 -0.0044 -0.0040 799 LEU A CD2 \n766 N N . ASP A 108 ? 0.4040 0.3961 0.4416 0.0161 0.0105 -0.0067 800 ASP A N \n767 C CA . ASP A 108 ? 0.4402 0.4206 0.4654 0.0186 0.0109 -0.0074 800 ASP A CA \n768 C C . ASP A 108 ? 0.4029 0.3806 0.4241 0.0213 0.0168 -0.0079 800 ASP A C \n769 O O . ASP A 108 ? 0.4211 0.3876 0.4298 0.0222 0.0172 -0.0081 800 ASP A O \n770 C CB . ASP A 108 ? 0.4416 0.4208 0.4667 0.0211 0.0101 -0.0083 800 ASP A CB \n771 C CG . ASP A 108 ? 0.6607 0.6389 0.6853 0.0179 0.0039 -0.0076 800 ASP A CG \n772 O OD1 . ASP A 108 ? 0.7045 0.6852 0.7327 0.0188 0.0027 -0.0080 800 ASP A OD1 \n773 O OD2 . ASP A 108 ? 0.6367 0.6116 0.6575 0.0144 0.0001 -0.0066 800 ASP A OD2 \n774 N N . TYR A 109 ? 0.4114 0.3990 0.4430 0.0223 0.0213 -0.0079 801 TYR A N \n775 C CA . TYR A 109 ? 0.4642 0.4512 0.4939 0.0245 0.0278 -0.0082 801 TYR A CA \n776 C C . TYR A 109 ? 0.4581 0.4390 0.4798 0.0219 0.0280 -0.0073 801 TYR A C \n777 O O . TYR A 109 ? 0.4642 0.4361 0.4749 0.0235 0.0313 -0.0077 801 TYR A O \n778 C CB . TYR A 109 ? 0.3880 0.3878 0.4318 0.0252 0.0317 -0.0081 801 TYR A CB \n779 C CG . TYR A 109 ? 0.5007 0.5013 0.5441 0.0277 0.0390 -0.0084 801 TYR A CG \n780 C CD1 . TYR A 109 ? 0.4992 0.5000 0.5411 0.0253 0.0419 -0.0073 801 TYR A CD1 \n781 C CD2 . TYR A 109 ? 0.4948 0.4961 0.5395 0.0323 0.0432 -0.0098 801 TYR A CD2 \n782 C CE1 . TYR A 109 ? 0.5599 0.5617 0.6014 0.0271 0.0492 -0.0074 801 TYR A CE1 \n783 C CE2 . TYR A 109 ? 0.5858 0.5888 0.6311 0.0346 0.0507 -0.0101 801 TYR A CE2 \n784 C CZ . TYR A 109 ? 0.5949 0.5983 0.6384 0.0317 0.0539 -0.0088 801 TYR A CZ \n785 O OH . TYR A 109 ? 0.6514 0.6569 0.6953 0.0334 0.0617 -0.0089 801 TYR A OH \n786 N N . VAL A 110 ? 0.4315 0.4164 0.4580 0.0182 0.0243 -0.0061 802 VAL A N \n787 C CA . VAL A 110 ? 0.4178 0.3958 0.4365 0.0158 0.0232 -0.0052 802 VAL A CA \n788 C C . VAL A 110 ? 0.4576 0.4216 0.4616 0.0152 0.0191 -0.0051 802 VAL A C \n789 O O . VAL A 110 ? 0.4756 0.4302 0.4688 0.0146 0.0201 -0.0047 802 VAL A O \n790 C CB . VAL A 110 ? 0.4476 0.4329 0.4752 0.0124 0.0200 -0.0041 802 VAL A CB \n791 C CG1 . VAL A 110 ? 0.3984 0.3953 0.4382 0.0128 0.0240 -0.0040 802 VAL A CG1 \n792 C CG2 . VAL A 110 ? 0.3762 0.3643 0.4084 0.0106 0.0137 -0.0041 802 VAL A CG2 \n793 N N . ARG A 111 ? 0.4573 0.4196 0.4608 0.0149 0.0143 -0.0053 803 ARG A N \n794 C CA . ARG A 111 ? 0.4527 0.4016 0.4426 0.0142 0.0098 -0.0052 803 ARG A CA \n795 C C . ARG A 111 ? 0.4703 0.4081 0.4470 0.0178 0.0141 -0.0063 803 ARG A C \n796 O O . ARG A 111 ? 0.5044 0.4293 0.4670 0.0173 0.0130 -0.0061 803 ARG A O \n797 C CB . ARG A 111 ? 0.4974 0.4480 0.4906 0.0130 0.0043 -0.0051 803 ARG A CB \n798 C CG . ARG A 111 ? 0.5260 0.4836 0.5281 0.0091 -0.0007 -0.0039 803 ARG A CG \n799 C CD . ARG A 111 ? 0.4890 0.4510 0.4965 0.0077 -0.0045 -0.0038 803 ARG A CD \n800 N NE . ARG A 111 ? 0.4054 0.3742 0.4213 0.0040 -0.0089 -0.0028 803 ARG A NE \n801 C CZ . ARG A 111 ? 0.5389 0.5119 0.5596 0.0018 -0.0124 -0.0023 803 ARG A CZ \n802 N NH1 . ARG A 111 ? 0.5208 0.4913 0.5384 0.0027 -0.0127 -0.0027 803 ARG A NH1 \n803 N NH2 . ARG A 111 ? 0.4661 0.4458 0.4949 -0.0013 -0.0157 -0.0015 803 ARG A NH2 \n804 N N . GLU A 112 ? 0.5156 0.4585 0.4970 0.0215 0.0190 -0.0076 804 GLU A N \n805 C CA . GLU A 112 ? 0.5553 0.4889 0.5255 0.0258 0.0237 -0.0091 804 GLU A CA \n806 C C . GLU A 112 ? 0.6571 0.5881 0.6220 0.0267 0.0306 -0.0092 804 GLU A C \n807 O O . GLU A 112 ? 0.5822 0.5000 0.5318 0.0284 0.0329 -0.0099 804 GLU A O \n808 C CB . GLU A 112 ? 0.5509 0.4913 0.5291 0.0298 0.0263 -0.0106 804 GLU A CB \n809 C CG . GLU A 112 ? 0.7811 0.7131 0.7497 0.0351 0.0315 -0.0125 804 GLU A CG \n810 C CD . GLU A 112 ? 1.0209 0.9387 0.9757 0.0363 0.0266 -0.0133 804 GLU A CD \n811 O OE1 . GLU A 112 ? 1.0297 0.9415 0.9790 0.0324 0.0194 -0.0120 804 GLU A OE1 \n812 O OE2 . GLU A 112 ? 1.2961 1.2086 1.2455 0.0413 0.0297 -0.0153 804 GLU A OE2 \n813 N N . HIS A 113 ? 0.5199 0.4626 0.4966 0.0254 0.0340 -0.0085 805 HIS A N \n814 C CA . HIS A 113 ? 0.5767 0.5193 0.5508 0.0261 0.0414 -0.0084 805 HIS A CA \n815 C C . HIS A 113 ? 0.5795 0.5185 0.5490 0.0218 0.0399 -0.0067 805 HIS A C \n816 O O . HIS A 113 ? 0.6858 0.6267 0.6553 0.0213 0.0457 -0.0062 805 HIS A O \n817 C CB . HIS A 113 ? 0.5816 0.5393 0.5716 0.0280 0.0473 -0.0087 805 HIS A CB \n818 C CG . HIS A 113 ? 0.6849 0.6450 0.6785 0.0329 0.0495 -0.0105 805 HIS A CG \n819 N ND1 . HIS A 113 ? 0.7015 0.6694 0.7060 0.0334 0.0453 -0.0108 805 HIS A ND1 \n820 C CD2 . HIS A 113 ? 0.7209 0.6756 0.7076 0.0376 0.0551 -0.0123 805 HIS A CD2 \n821 C CE1 . HIS A 113 ? 0.7756 0.7428 0.7802 0.0382 0.0478 -0.0125 805 HIS A CE1 \n822 N NE2 . HIS A 113 ? 0.8042 0.7638 0.7986 0.0410 0.0539 -0.0136 805 HIS A NE2 \n823 N N . LYS A 114 ? 0.6002 0.5337 0.5659 0.0187 0.0321 -0.0057 806 LYS A N \n824 C CA . LYS A 114 ? 0.6080 0.5379 0.5702 0.0147 0.0292 -0.0042 806 LYS A CA \n825 C C . LYS A 114 ? 0.7608 0.6818 0.7108 0.0144 0.0349 -0.0038 806 LYS A C \n826 O O . LYS A 114 ? 0.7233 0.6492 0.6778 0.0123 0.0372 -0.0027 806 LYS A O \n827 C CB . LYS A 114 ? 0.5873 0.5082 0.5427 0.0123 0.0202 -0.0035 806 LYS A CB \n828 C CG . LYS A 114 ? 0.7904 0.7055 0.7408 0.0086 0.0163 -0.0020 806 LYS A CG \n829 C CD . LYS A 114 ? 0.8675 0.7736 0.8116 0.0063 0.0072 -0.0012 806 LYS A CD \n830 C CE . LYS A 114 ? 0.8782 0.7789 0.8185 0.0030 0.0031 0.0001 806 LYS A CE \n831 N NZ . LYS A 114 ? 0.8261 0.7127 0.7543 0.0011 -0.0048 0.0010 806 LYS A NZ \n832 N N . ASP A 115 ? 0.7263 0.6340 0.6603 0.0165 0.0373 -0.0048 807 ASP A N \n833 C CA . ASP A 115 ? 0.7804 0.6772 0.6997 0.0161 0.0427 -0.0045 807 ASP A CA \n834 C C . ASP A 115 ? 0.8540 0.7601 0.7799 0.0176 0.0530 -0.0048 807 ASP A C \n835 O O . ASP A 115 ? 0.7816 0.6802 0.6964 0.0167 0.0585 -0.0044 807 ASP A O \n836 C CB . ASP A 115 ? 0.8687 0.7477 0.7680 0.0182 0.0425 -0.0057 807 ASP A CB \n837 C CG . ASP A 115 ? 1.0147 0.8829 0.9061 0.0159 0.0319 -0.0050 807 ASP A CG \n838 O OD1 . ASP A 115 ? 0.9490 0.8207 0.8468 0.0121 0.0255 -0.0033 807 ASP A OD1 \n839 O OD2 . ASP A 115 ? 1.0384 0.8947 0.9173 0.0178 0.0300 -0.0060 807 ASP A OD2 \n840 N N . ASN A 116 ? 0.6258 0.5480 0.5695 0.0196 0.0555 -0.0054 808 ASN A N \n841 C CA . ASN A 116 ? 0.7510 0.6839 0.7038 0.0209 0.0647 -0.0054 808 ASN A CA \n842 C C . ASN A 116 ? 0.6852 0.6342 0.6568 0.0185 0.0639 -0.0041 808 ASN A C \n843 O O . ASN A 116 ? 0.6441 0.6033 0.6254 0.0191 0.0706 -0.0038 808 ASN A O \n844 C CB . ASN A 116 ? 0.6487 0.5854 0.6049 0.0265 0.0703 -0.0076 808 ASN A CB \n845 C CG . ASN A 116 ? 0.8406 0.7616 0.7774 0.0294 0.0744 -0.0091 808 ASN A CG \n846 O OD1 . ASN A 116 ? 0.9816 0.8953 0.9072 0.0282 0.0800 -0.0087 808 ASN A OD1 \n847 N ND2 . ASN A 116 ? 0.8244 0.7393 0.7563 0.0330 0.0715 -0.0109 808 ASN A ND2 \n848 N N . ILE A 117 ? 0.6391 0.5902 0.6160 0.0158 0.0556 -0.0032 809 ILE A N \n849 C CA . ILE A 117 ? 0.5335 0.4983 0.5269 0.0136 0.0539 -0.0021 809 ILE A CA \n850 C C . ILE A 117 ? 0.5969 0.5588 0.5868 0.0093 0.0532 -0.0002 809 ILE A C \n851 O O . ILE A 117 ? 0.5430 0.4950 0.5235 0.0069 0.0474 0.0003 809 ILE A O \n852 C CB . ILE A 117 ? 0.5302 0.5001 0.5324 0.0134 0.0460 -0.0024 809 ILE A CB \n853 C CG1 . ILE A 117 ? 0.4537 0.4281 0.4612 0.0173 0.0468 -0.0040 809 ILE A CG1 \n854 C CG2 . ILE A 117 ? 0.4892 0.4707 0.5056 0.0108 0.0437 -0.0013 809 ILE A CG2 \n855 C CD1 . ILE A 117 ? 0.4454 0.4207 0.4564 0.0169 0.0391 -0.0044 809 ILE A CD1 \n856 N N . GLY A 118 ? 0.5449 0.5155 0.5429 0.0081 0.0587 0.0007 810 GLY A N \n857 C CA . GLY A 118 ? 0.5873 0.5558 0.5829 0.0037 0.0583 0.0026 810 GLY A CA \n858 C C . GLY A 118 ? 0.5178 0.4959 0.5269 0.0015 0.0529 0.0035 810 GLY A C \n859 O O . GLY A 118 ? 0.5092 0.4971 0.5308 0.0032 0.0504 0.0027 810 GLY A O \n860 N N . SER A 119 ? 0.4714 0.4457 0.4770 -0.0023 0.0510 0.0052 811 SER A N \n861 C CA . SER A 119 ? 0.5029 0.4838 0.5189 -0.0043 0.0453 0.0059 811 SER A CA \n862 C C . SER A 119 ? 0.5052 0.5011 0.5379 -0.0038 0.0480 0.0060 811 SER A C \n863 O O . SER A 119 ? 0.4350 0.4377 0.4779 -0.0037 0.0431 0.0056 811 SER A O \n864 C CB . SER A 119 ? 0.5489 0.5218 0.5569 -0.0084 0.0431 0.0076 811 SER A CB \n865 O OG . SER A 119 ? 0.5924 0.5636 0.5952 -0.0103 0.0506 0.0090 811 SER A OG \n866 N N . GLN A 120 ? 0.4439 0.4446 0.4793 -0.0036 0.0559 0.0066 812 GLN A N \n867 C CA . GLN A 120 ? 0.4489 0.4637 0.5003 -0.0035 0.0585 0.0071 812 GLN A CA \n868 C C . GLN A 120 ? 0.4343 0.4570 0.4962 0.0000 0.0561 0.0054 812 GLN A C \n869 O O . GLN A 120 ? 0.3946 0.4263 0.4687 -0.0004 0.0531 0.0056 812 GLN A O \n870 C CB . GLN A 120 ? 0.5184 0.5369 0.5708 -0.0035 0.0678 0.0080 812 GLN A CB \n871 C CG . GLN A 120 ? 0.4949 0.5279 0.5644 -0.0042 0.0703 0.0090 812 GLN A CG \n872 C CD . GLN A 120 ? 0.5588 0.5933 0.6318 -0.0091 0.0671 0.0112 812 GLN A CD \n873 O OE1 . GLN A 120 ? 0.5296 0.5608 0.5971 -0.0127 0.0707 0.0132 812 GLN A OE1 \n874 N NE2 . GLN A 120 ? 0.4927 0.5318 0.5741 -0.0092 0.0604 0.0109 812 GLN A NE2 \n875 N N . TYR A 121 ? 0.3846 0.4033 0.4409 0.0035 0.0573 0.0038 813 TYR A N \n876 C CA . TYR A 121 ? 0.3790 0.4039 0.4437 0.0067 0.0550 0.0022 813 TYR A CA \n877 C C . TYR A 121 ? 0.3641 0.3887 0.4309 0.0058 0.0469 0.0018 813 TYR A C \n878 O O . TYR A 121 ? 0.3389 0.3720 0.4168 0.0064 0.0445 0.0014 813 TYR A O \n879 C CB . TYR A 121 ? 0.4580 0.4766 0.5143 0.0105 0.0575 0.0005 813 TYR A CB \n880 C CG . TYR A 121 ? 0.6258 0.6496 0.6862 0.0132 0.0655 0.0002 813 TYR A CG \n881 C CD1 . TYR A 121 ? 0.6517 0.6852 0.7245 0.0164 0.0662 -0.0007 813 TYR A CD1 \n882 C CD2 . TYR A 121 ? 0.6474 0.6665 0.6996 0.0126 0.0724 0.0008 813 TYR A CD2 \n883 C CE1 . TYR A 121 ? 0.8278 0.8668 0.9058 0.0193 0.0734 -0.0011 813 TYR A CE1 \n884 C CE2 . TYR A 121 ? 0.7789 0.8038 0.8360 0.0153 0.0804 0.0004 813 TYR A CE2 \n885 C CZ . TYR A 121 ? 0.8693 0.9046 0.9400 0.0189 0.0808 -0.0006 813 TYR A CZ \n886 O OH . TYR A 121 ? 0.9235 0.9653 1.0004 0.0220 0.0886 -0.0012 813 TYR A OH \n887 N N . LEU A 122 ? 0.4396 0.4543 0.4958 0.0043 0.0428 0.0018 814 LEU A N \n888 C CA . LEU A 122 ? 0.3665 0.3811 0.4249 0.0036 0.0356 0.0013 814 LEU A CA \n889 C C . LEU A 122 ? 0.4173 0.4395 0.4860 0.0016 0.0331 0.0020 814 LEU A C \n890 O O . LEU A 122 ? 0.3781 0.4062 0.4547 0.0021 0.0296 0.0012 814 LEU A O \n891 C CB . LEU A 122 ? 0.4188 0.4216 0.4649 0.0021 0.0314 0.0015 814 LEU A CB \n892 C CG . LEU A 122 ? 0.4067 0.4004 0.4418 0.0040 0.0312 0.0007 814 LEU A CG \n893 C CD1 . LEU A 122 ? 0.3933 0.3736 0.4142 0.0021 0.0289 0.0014 814 LEU A CD1 \n894 C CD2 . LEU A 122 ? 0.3891 0.3859 0.4291 0.0052 0.0264 -0.0004 814 LEU A CD2 \n895 N N . LEU A 123 ? 0.3817 0.4032 0.4495 -0.0008 0.0350 0.0035 815 LEU A N \n896 C CA . LEU A 123 ? 0.3759 0.4034 0.4524 -0.0028 0.0326 0.0042 815 LEU A CA \n897 C C . LEU A 123 ? 0.3215 0.3603 0.4107 -0.0019 0.0347 0.0042 815 LEU A C \n898 O O . LEU A 123 ? 0.2829 0.3269 0.3800 -0.0023 0.0310 0.0039 815 LEU A O \n899 C CB . LEU A 123 ? 0.3465 0.3691 0.4177 -0.0061 0.0335 0.0060 815 LEU A CB \n900 C CG . LEU A 123 ? 0.4061 0.4170 0.4656 -0.0074 0.0292 0.0061 815 LEU A CG \n901 C CD1 . LEU A 123 ? 0.4393 0.4437 0.4911 -0.0108 0.0312 0.0081 815 LEU A CD1 \n902 C CD2 . LEU A 123 ? 0.4524 0.4642 0.5162 -0.0073 0.0220 0.0052 815 LEU A CD2 \n903 N N . ASN A 124 ? 0.3434 0.3856 0.4348 -0.0006 0.0405 0.0045 816 ASN A N \n904 C CA . ASN A 124 ? 0.3484 0.4013 0.4525 0.0005 0.0420 0.0044 816 ASN A CA \n905 C C . ASN A 124 ? 0.3058 0.3612 0.4138 0.0029 0.0380 0.0027 816 ASN A C \n906 O O . ASN A 124 ? 0.3020 0.3639 0.4190 0.0027 0.0355 0.0026 816 ASN A O \n907 C CB . ASN A 124 ? 0.3402 0.3966 0.4466 0.0021 0.0491 0.0048 816 ASN A CB \n908 C CG . ASN A 124 ? 0.4751 0.5329 0.5821 -0.0009 0.0537 0.0069 816 ASN A CG \n909 O OD1 . ASN A 124 ? 0.5089 0.5652 0.6152 -0.0044 0.0510 0.0083 816 ASN A OD1 \n910 N ND2 . ASN A 124 ? 0.5045 0.5652 0.6127 0.0004 0.0607 0.0072 816 ASN A ND2 \n911 N N . TRP A 125 ? 0.3493 0.3987 0.4495 0.0049 0.0370 0.0014 817 TRP A N \n912 C CA . TRP A 125 ? 0.3803 0.4316 0.4835 0.0064 0.0330 0.0000 817 TRP A CA \n913 C C . TRP A 125 ? 0.3072 0.3602 0.4139 0.0045 0.0278 0.0000 817 TRP A C \n914 O O . TRP A 125 ? 0.2947 0.3528 0.4079 0.0050 0.0255 -0.0007 817 TRP A O \n915 C CB . TRP A 125 ? 0.4000 0.4440 0.4940 0.0082 0.0322 -0.0010 817 TRP A CB \n916 C CG . TRP A 125 ? 0.4051 0.4471 0.4957 0.0110 0.0372 -0.0014 817 TRP A CG \n917 C CD1 . TRP A 125 ? 0.4358 0.4846 0.5342 0.0128 0.0414 -0.0013 817 TRP A CD1 \n918 C CD2 . TRP A 125 ? 0.3837 0.4162 0.4623 0.0123 0.0385 -0.0020 817 TRP A CD2 \n919 N NE1 . TRP A 125 ? 0.3879 0.4321 0.4799 0.0157 0.0456 -0.0021 817 TRP A NE1 \n920 C CE2 . TRP A 125 ? 0.4976 0.5312 0.5766 0.0153 0.0439 -0.0025 817 TRP A CE2 \n921 C CE3 . TRP A 125 ? 0.4140 0.4367 0.4814 0.0113 0.0352 -0.0021 817 TRP A CE3 \n922 C CZ2 . TRP A 125 ? 0.4287 0.4532 0.4962 0.0175 0.0466 -0.0033 817 TRP A CZ2 \n923 C CZ3 . TRP A 125 ? 0.4509 0.4642 0.5066 0.0130 0.0373 -0.0027 817 TRP A CZ3 \n924 C CH2 . TRP A 125 ? 0.4765 0.4904 0.5318 0.0162 0.0431 -0.0034 817 TRP A CH2 \n925 N N . CYS A 126 ? 0.3464 0.3947 0.4482 0.0025 0.0259 0.0003 818 CYS A N \n926 C CA . CYS A 126 ? 0.3069 0.3563 0.4116 0.0013 0.0211 0.0000 818 CYS A CA \n927 C C . CYS A 126 ? 0.2921 0.3482 0.4057 0.0003 0.0208 0.0004 818 CYS A C \n928 O O . CYS A 126 ? 0.2523 0.3117 0.3705 0.0003 0.0177 -0.0004 818 CYS A O \n929 C CB . CYS A 126 ? 0.3421 0.3845 0.4399 -0.0002 0.0189 0.0004 818 CYS A CB \n930 S SG . CYS A 126 ? 0.3710 0.4046 0.4582 0.0006 0.0172 -0.0001 818 CYS A SG \n931 N N . VAL A 127 ? 0.3164 0.3745 0.4322 -0.0007 0.0243 0.0019 819 VAL A N \n932 C CA . VAL A 127 ? 0.2773 0.3416 0.4019 -0.0020 0.0239 0.0028 819 VAL A CA \n933 C C . VAL A 127 ? 0.2173 0.2877 0.3490 -0.0003 0.0235 0.0020 819 VAL A C \n934 O O . VAL A 127 ? 0.2825 0.3557 0.4190 -0.0008 0.0203 0.0016 819 VAL A O \n935 C CB . VAL A 127 ? 0.3231 0.3894 0.4498 -0.0039 0.0281 0.0049 819 VAL A CB \n936 C CG1 . VAL A 127 ? 0.3507 0.4240 0.4876 -0.0053 0.0271 0.0059 819 VAL A CG1 \n937 C CG2 . VAL A 127 ? 0.3588 0.4182 0.4779 -0.0064 0.0276 0.0060 819 VAL A CG2 \n938 N N . GLN A 128 ? 0.2513 0.3228 0.3831 0.0017 0.0268 0.0018 820 GLN A N \n939 C CA . GLN A 128 ? 0.2343 0.3107 0.3724 0.0036 0.0263 0.0011 820 GLN A CA \n940 C C . GLN A 128 ? 0.2965 0.3717 0.4333 0.0041 0.0219 -0.0003 820 GLN A C \n941 O O . GLN A 128 ? 0.2587 0.3376 0.4011 0.0040 0.0197 -0.0005 820 GLN A O \n942 C CB . GLN A 128 ? 0.3116 0.3877 0.4483 0.0063 0.0303 0.0008 820 GLN A CB \n943 C CG . GLN A 128 ? 0.3014 0.3815 0.4428 0.0061 0.0354 0.0022 820 GLN A CG \n944 C CD . GLN A 128 ? 0.4360 0.5151 0.5750 0.0092 0.0401 0.0016 820 GLN A CD \n945 O OE1 . GLN A 128 ? 0.4226 0.4990 0.5583 0.0119 0.0390 0.0001 820 GLN A OE1 \n946 N NE2 . GLN A 128 ? 0.4222 0.5032 0.5624 0.0089 0.0458 0.0027 820 GLN A NE2 \n947 N N . ILE A 129 ? 0.2745 0.3444 0.4037 0.0043 0.0208 -0.0012 821 ILE A N \n948 C CA . ILE A 129 ? 0.2781 0.3473 0.4062 0.0043 0.0171 -0.0025 821 ILE A CA \n949 C C . ILE A 129 ? 0.2023 0.2736 0.3339 0.0027 0.0142 -0.0027 821 ILE A C \n950 O O . ILE A 129 ? 0.2201 0.2936 0.3545 0.0026 0.0121 -0.0034 821 ILE A O \n951 C CB . ILE A 129 ? 0.3011 0.3648 0.4214 0.0047 0.0162 -0.0033 821 ILE A CB \n952 C CG1 . ILE A 129 ? 0.2612 0.3216 0.3769 0.0065 0.0184 -0.0033 821 ILE A CG1 \n953 C CG2 . ILE A 129 ? 0.2427 0.3072 0.3634 0.0041 0.0127 -0.0044 821 ILE A CG2 \n954 C CD1 . ILE A 129 ? 0.2546 0.3081 0.3614 0.0065 0.0177 -0.0036 821 ILE A CD1 \n955 N N . ALA A 130 ? 0.2263 0.2961 0.3571 0.0013 0.0141 -0.0020 822 ALA A N \n956 C CA . ALA A 130 ? 0.2648 0.3356 0.3983 0.0001 0.0114 -0.0023 822 ALA A CA \n957 C C . ALA A 130 ? 0.2176 0.2927 0.3577 -0.0005 0.0110 -0.0015 822 ALA A C \n958 O O . ALA A 130 ? 0.2110 0.2869 0.3528 -0.0010 0.0083 -0.0023 822 ALA A O \n959 C CB . ALA A 130 ? 0.3410 0.4080 0.4714 -0.0011 0.0108 -0.0016 822 ALA A CB \n960 N N . LYS A 131 ? 0.2165 0.2944 0.3604 -0.0005 0.0136 -0.0001 823 LYS A N \n961 C CA . LYS A 131 ? 0.2365 0.3187 0.3876 -0.0012 0.0124 0.0006 823 LYS A CA \n962 C C . LYS A 131 ? 0.2161 0.2993 0.3682 0.0000 0.0104 -0.0006 823 LYS A C \n963 O O . LYS A 131 ? 0.2511 0.3350 0.4057 -0.0009 0.0074 -0.0007 823 LYS A O \n964 C CB . LYS A 131 ? 0.2041 0.2903 0.3607 -0.0013 0.0159 0.0023 823 LYS A CB \n965 C CG . LYS A 131 ? 0.2813 0.3670 0.4377 -0.0035 0.0178 0.0041 823 LYS A CG \n966 C CD . LYS A 131 ? 0.3170 0.4080 0.4799 -0.0036 0.0221 0.0058 823 LYS A CD \n967 C CE . LYS A 131 ? 0.3869 0.4766 0.5481 -0.0065 0.0244 0.0077 823 LYS A CE \n968 N NZ . LYS A 131 ? 0.3992 0.4952 0.5680 -0.0073 0.0289 0.0096 823 LYS A NZ \n969 N N . GLY A 132 ? 0.2438 0.3263 0.3933 0.0018 0.0118 -0.0013 824 GLY A N \n970 C CA . GLY A 132 ? 0.2949 0.3773 0.4442 0.0027 0.0097 -0.0023 824 GLY A CA \n971 C C . GLY A 132 ? 0.2556 0.3358 0.4010 0.0017 0.0070 -0.0037 824 GLY A C \n972 O O . GLY A 132 ? 0.2320 0.3121 0.3780 0.0012 0.0045 -0.0042 824 GLY A O \n973 N N . MET A 133 ? 0.2756 0.3535 0.4168 0.0014 0.0074 -0.0044 825 MET A N \n974 C CA . MET A 133 ? 0.2415 0.3182 0.3800 0.0008 0.0054 -0.0058 825 MET A CA \n975 C C . MET A 133 ? 0.2200 0.2969 0.3609 -0.0002 0.0034 -0.0059 825 MET A C \n976 O O . MET A 133 ? 0.2570 0.3332 0.3967 -0.0006 0.0016 -0.0069 825 MET A O \n977 C CB . MET A 133 ? 0.2697 0.3444 0.4045 0.0011 0.0059 -0.0065 825 MET A CB \n978 C CG . MET A 133 ? 0.2882 0.3616 0.4196 0.0018 0.0070 -0.0066 825 MET A CG \n979 S SD . MET A 133 ? 0.2980 0.3717 0.4276 0.0016 0.0059 -0.0075 825 MET A SD \n980 C CE . MET A 133 ? 0.2782 0.3528 0.4072 0.0007 0.0047 -0.0091 825 MET A CE \n981 N N . ASN A 134 ? 0.2729 0.3501 0.4164 -0.0009 0.0036 -0.0046 826 ASN A N \n982 C CA . ASN A 134 ? 0.2637 0.3402 0.4089 -0.0022 0.0011 -0.0043 826 ASN A CA \n983 C C . ASN A 134 ? 0.2311 0.3089 0.3793 -0.0028 -0.0006 -0.0039 826 ASN A C \n984 O O . ASN A 134 ? 0.2049 0.2805 0.3518 -0.0036 -0.0033 -0.0046 826 ASN A O \n985 C CB . ASN A 134 ? 0.2552 0.3316 0.4025 -0.0035 0.0015 -0.0026 826 ASN A CB \n986 C CG . ASN A 134 ? 0.2872 0.3618 0.4355 -0.0050 -0.0016 -0.0023 826 ASN A CG \n987 O OD1 . ASN A 134 ? 0.2790 0.3502 0.4236 -0.0048 -0.0035 -0.0039 826 ASN A OD1 \n988 N ND2 . ASN A 134 ? 0.3161 0.3930 0.4697 -0.0067 -0.0022 -0.0003 826 ASN A ND2 \n989 N N . TYR A 135 ? 0.3105 0.3910 0.4622 -0.0022 0.0005 -0.0029 827 TYR A N \n990 C CA . TYR A 135 ? 0.3005 0.3817 0.4551 -0.0024 -0.0018 -0.0025 827 TYR A CA \n991 C C . TYR A 135 ? 0.3095 0.3877 0.4586 -0.0023 -0.0034 -0.0042 827 TYR A C \n992 O O . TYR A 135 ? 0.2580 0.3339 0.4059 -0.0033 -0.0064 -0.0045 827 TYR A O \n993 C CB . TYR A 135 ? 0.2700 0.3548 0.4300 -0.0012 -0.0002 -0.0013 827 TYR A CB \n994 C CG . TYR A 135 ? 0.2522 0.3374 0.4155 -0.0012 -0.0034 -0.0009 827 TYR A CG \n995 C CD1 . TYR A 135 ? 0.2716 0.3591 0.4421 -0.0025 -0.0058 0.0007 827 TYR A CD1 \n996 C CD2 . TYR A 135 ? 0.2559 0.3387 0.4152 -0.0003 -0.0044 -0.0020 827 TYR A CD2 \n997 C CE1 . TYR A 135 ? 0.2225 0.3097 0.3960 -0.0025 -0.0096 0.0010 827 TYR A CE1 \n998 C CE2 . TYR A 135 ? 0.2327 0.3144 0.3938 -0.0004 -0.0080 -0.0017 827 TYR A CE2 \n999 C CZ . TYR A 135 ? 0.2952 0.3792 0.4638 -0.0014 -0.0107 -0.0001 827 TYR A CZ \n1000 O OH . TYR A 135 ? 0.2765 0.3587 0.4465 -0.0015 -0.0149 0.0002 827 TYR A OH \n1001 N N . LEU A 136 ? 0.2850 0.3626 0.4299 -0.0013 -0.0014 -0.0054 828 LEU A N \n1002 C CA . LEU A 136 ? 0.3200 0.3949 0.4593 -0.0017 -0.0024 -0.0069 828 LEU A CA \n1003 C C . LEU A 136 ? 0.2565 0.3293 0.3928 -0.0026 -0.0035 -0.0082 828 LEU A C \n1004 O O . LEU A 136 ? 0.2420 0.3121 0.3745 -0.0035 -0.0050 -0.0091 828 LEU A O \n1005 C CB . LEU A 136 ? 0.2383 0.3133 0.3743 -0.0009 -0.0003 -0.0076 828 LEU A CB \n1006 C CG . LEU A 136 ? 0.2675 0.3429 0.4044 0.0001 0.0003 -0.0067 828 LEU A CG \n1007 C CD1 . LEU A 136 ? 0.3675 0.4418 0.5000 0.0006 0.0018 -0.0074 828 LEU A CD1 \n1008 C CD2 . LEU A 136 ? 0.3425 0.4162 0.4790 -0.0001 -0.0022 -0.0065 828 LEU A CD2 \n1009 N N . GLU A 137 ? 0.2623 0.3355 0.3995 -0.0023 -0.0028 -0.0084 829 GLU A N \n1010 C CA . GLU A 137 ? 0.2497 0.3204 0.3839 -0.0026 -0.0038 -0.0099 829 GLU A CA \n1011 C C . GLU A 137 ? 0.2903 0.3582 0.4246 -0.0038 -0.0070 -0.0093 829 GLU A C \n1012 O O . GLU A 137 ? 0.2719 0.3362 0.4016 -0.0043 -0.0083 -0.0107 829 GLU A O \n1013 C CB . GLU A 137 ? 0.2417 0.3127 0.3766 -0.0018 -0.0029 -0.0103 829 GLU A CB \n1014 C CG . GLU A 137 ? 0.3239 0.3920 0.4559 -0.0013 -0.0041 -0.0121 829 GLU A CG \n1015 C CD . GLU A 137 ? 0.3011 0.3689 0.4336 -0.0002 -0.0038 -0.0127 829 GLU A CD \n1016 O OE1 . GLU A 137 ? 0.3522 0.4214 0.4866 -0.0001 -0.0029 -0.0114 829 GLU A OE1 \n1017 O OE2 . GLU A 137 ? 0.2614 0.3266 0.3918 0.0006 -0.0049 -0.0144 829 GLU A OE2 \n1018 N N . ASP A 138 ? 0.2938 0.3631 0.4331 -0.0046 -0.0082 -0.0072 830 ASP A N \n1019 C CA . ASP A 138 ? 0.3482 0.4150 0.4885 -0.0061 -0.0120 -0.0063 830 ASP A CA \n1020 C C . ASP A 138 ? 0.3156 0.3800 0.4526 -0.0065 -0.0138 -0.0067 830 ASP A C \n1021 O O . ASP A 138 ? 0.3396 0.3992 0.4729 -0.0077 -0.0169 -0.0071 830 ASP A O \n1022 C CB . ASP A 138 ? 0.3161 0.3864 0.4643 -0.0069 -0.0127 -0.0037 830 ASP A CB \n1023 C CG . ASP A 138 ? 0.3517 0.4220 0.5013 -0.0076 -0.0123 -0.0029 830 ASP A CG \n1024 O OD1 . ASP A 138 ? 0.3534 0.4276 0.5086 -0.0080 -0.0106 -0.0011 830 ASP A OD1 \n1025 O OD2 . ASP A 138 ? 0.3670 0.4331 0.5118 -0.0077 -0.0135 -0.0042 830 ASP A OD2 \n1026 N N . ARG A 139 ? 0.2447 0.3112 0.3820 -0.0057 -0.0120 -0.0067 831 ARG A N \n1027 C CA . ARG A 139 ? 0.2861 0.3495 0.4191 -0.0063 -0.0137 -0.0072 831 ARG A CA \n1028 C C . ARG A 139 ? 0.3278 0.3880 0.4524 -0.0066 -0.0122 -0.0094 831 ARG A C \n1029 O O . ARG A 139 ? 0.3677 0.4246 0.4871 -0.0076 -0.0132 -0.0099 831 ARG A O \n1030 C CB . ARG A 139 ? 0.3281 0.3942 0.4641 -0.0053 -0.0129 -0.0063 831 ARG A CB \n1031 C CG . ARG A 139 ? 0.5493 0.6181 0.6935 -0.0049 -0.0150 -0.0043 831 ARG A CG \n1032 C CD . ARG A 139 ? 0.6223 0.6872 0.7664 -0.0066 -0.0200 -0.0036 831 ARG A CD \n1033 N NE . ARG A 139 ? 0.7011 0.7682 0.8531 -0.0064 -0.0231 -0.0017 831 ARG A NE \n1034 C CZ . ARG A 139 ? 0.6608 0.7280 0.8142 -0.0051 -0.0242 -0.0015 831 ARG A CZ \n1035 N NH1 . ARG A 139 ? 0.4717 0.5413 0.6335 -0.0046 -0.0273 0.0000 831 ARG A NH1 \n1036 N NH2 . ARG A 139 ? 0.8824 0.9473 1.0291 -0.0044 -0.0223 -0.0028 831 ARG A NH2 \n1037 N N . ARG A 140 ? 0.3438 0.4049 0.4673 -0.0059 -0.0099 -0.0108 832 ARG A N \n1038 C CA . ARG A 140 ? 0.2688 0.3284 0.3860 -0.0060 -0.0077 -0.0130 832 ARG A CA \n1039 C C . ARG A 140 ? 0.2808 0.3420 0.3960 -0.0063 -0.0057 -0.0132 832 ARG A C \n1040 O O . ARG A 140 ? 0.4504 0.5093 0.5596 -0.0075 -0.0049 -0.0143 832 ARG A O \n1041 C CB . ARG A 140 ? 0.2841 0.3375 0.3945 -0.0071 -0.0098 -0.0141 832 ARG A CB \n1042 C CG . ARG A 140 ? 0.4358 0.4866 0.5476 -0.0069 -0.0124 -0.0139 832 ARG A CG \n1043 C CD . ARG A 140 ? 0.5166 0.5598 0.6205 -0.0080 -0.0149 -0.0150 832 ARG A CD \n1044 N NE . ARG A 140 ? 0.5085 0.5499 0.6058 -0.0072 -0.0117 -0.0178 832 ARG A NE \n1045 C CZ . ARG A 140 ? 0.7086 0.7431 0.7968 -0.0081 -0.0123 -0.0193 832 ARG A CZ \n1046 N NH1 . ARG A 140 ? 0.7962 0.8305 0.8795 -0.0070 -0.0083 -0.0220 832 ARG A NH1 \n1047 N NH2 . ARG A 140 ? 0.6245 0.6521 0.7082 -0.0099 -0.0168 -0.0182 832 ARG A NH2 \n1048 N N . LEU A 141 ? 0.2907 0.3555 0.4103 -0.0055 -0.0048 -0.0120 833 LEU A N \n1049 C CA . LEU A 141 ? 0.3721 0.4378 0.4899 -0.0058 -0.0034 -0.0119 833 LEU A CA \n1050 C C . LEU A 141 ? 0.3766 0.4462 0.4969 -0.0047 -0.0007 -0.0122 833 LEU A C \n1051 O O . LEU A 141 ? 0.3213 0.3928 0.4457 -0.0034 -0.0004 -0.0112 833 LEU A O \n1052 C CB . LEU A 141 ? 0.3742 0.4393 0.4941 -0.0055 -0.0054 -0.0102 833 LEU A CB \n1053 C CG . LEU A 141 ? 0.4258 0.4891 0.5419 -0.0061 -0.0056 -0.0099 833 LEU A CG \n1054 C CD1 . LEU A 141 ? 0.5465 0.6095 0.6662 -0.0049 -0.0076 -0.0085 833 LEU A CD1 \n1055 C CD2 . LEU A 141 ? 0.6011 0.6667 0.7163 -0.0060 -0.0028 -0.0103 833 LEU A CD2 \n1056 N N . VAL A 142 ? 0.2756 0.3463 0.3933 -0.0052 0.0011 -0.0136 834 VAL A N \n1057 C CA . VAL A 142 ? 0.2583 0.3323 0.3784 -0.0044 0.0029 -0.0139 834 VAL A CA \n1058 C C . VAL A 142 ? 0.2312 0.3049 0.3502 -0.0050 0.0028 -0.0126 834 VAL A C \n1059 O O . VAL A 142 ? 0.2926 0.3642 0.4076 -0.0066 0.0022 -0.0124 834 VAL A O \n1060 C CB . VAL A 142 ? 0.2625 0.3387 0.3815 -0.0049 0.0049 -0.0157 834 VAL A CB \n1061 C CG1 . VAL A 142 ? 0.2351 0.3148 0.3580 -0.0039 0.0059 -0.0158 834 VAL A CG1 \n1062 C CG2 . VAL A 142 ? 0.2941 0.3690 0.4126 -0.0041 0.0049 -0.0172 834 VAL A CG2 \n1063 N N . HIS A 143 ? 0.2424 0.3173 0.3641 -0.0037 0.0031 -0.0119 835 HIS A N \n1064 C CA . HIS A 143 ? 0.2303 0.3038 0.3504 -0.0037 0.0029 -0.0108 835 HIS A CA \n1065 C C . HIS A 143 ? 0.2785 0.3524 0.3958 -0.0054 0.0033 -0.0111 835 HIS A C \n1066 O O . HIS A 143 ? 0.2772 0.3489 0.3905 -0.0070 0.0026 -0.0107 835 HIS A O \n1067 C CB . HIS A 143 ? 0.2254 0.2991 0.3477 -0.0020 0.0035 -0.0101 835 HIS A CB \n1068 C CG . HIS A 143 ? 0.2639 0.3350 0.3840 -0.0013 0.0033 -0.0090 835 HIS A CG \n1069 N ND1 . HIS A 143 ? 0.2639 0.3331 0.3801 -0.0022 0.0028 -0.0089 835 HIS A ND1 \n1070 C CD2 . HIS A 143 ? 0.3124 0.3823 0.4335 0.0003 0.0037 -0.0082 835 HIS A CD2 \n1071 C CE1 . HIS A 143 ? 0.2792 0.3452 0.3931 -0.0010 0.0026 -0.0081 835 HIS A CE1 \n1072 N NE2 . HIS A 143 ? 0.2829 0.3498 0.4002 0.0008 0.0035 -0.0078 835 HIS A NE2 \n1073 N N . ARG A 144 ? 0.2578 0.3346 0.3775 -0.0053 0.0043 -0.0119 836 ARG A N \n1074 C CA . ARG A 144 ? 0.2466 0.3254 0.3657 -0.0070 0.0048 -0.0121 836 ARG A CA \n1075 C C . ARG A 144 ? 0.3245 0.4013 0.4417 -0.0075 0.0037 -0.0108 836 ARG A C \n1076 O O . ARG A 144 ? 0.3320 0.4106 0.4494 -0.0093 0.0036 -0.0108 836 ARG A O \n1077 C CB . ARG A 144 ? 0.3143 0.3933 0.4301 -0.0095 0.0055 -0.0126 836 ARG A CB \n1078 C CG . ARG A 144 ? 0.3063 0.3864 0.4226 -0.0093 0.0068 -0.0141 836 ARG A CG \n1079 C CD . ARG A 144 ? 0.3889 0.4679 0.5002 -0.0120 0.0077 -0.0144 836 ARG A CD \n1080 N NE . ARG A 144 ? 0.3925 0.4712 0.5027 -0.0116 0.0089 -0.0160 836 ARG A NE \n1081 C CZ . ARG A 144 ? 0.4796 0.5540 0.5869 -0.0112 0.0073 -0.0159 836 ARG A CZ \n1082 N NH1 . ARG A 144 ? 0.4962 0.5672 0.6027 -0.0109 0.0047 -0.0144 836 ARG A NH1 \n1083 N NH2 . ARG A 144 ? 0.5225 0.5957 0.6277 -0.0110 0.0083 -0.0175 836 ARG A NH2 \n1084 N N . ASP A 145 ? 0.2918 0.3649 0.4072 -0.0060 0.0028 -0.0099 837 ASP A N \n1085 C CA . ASP A 145 ? 0.3226 0.3922 0.4347 -0.0061 0.0017 -0.0089 837 ASP A CA \n1086 C C . ASP A 145 ? 0.2545 0.3213 0.3662 -0.0036 0.0019 -0.0083 837 ASP A C \n1087 O O . ASP A 145 ? 0.2949 0.3572 0.4025 -0.0028 0.0014 -0.0076 837 ASP A O \n1088 C CB . ASP A 145 ? 0.3879 0.4540 0.4949 -0.0078 0.0005 -0.0082 837 ASP A CB \n1089 C CG . ASP A 145 ? 0.4482 0.5099 0.5507 -0.0084 -0.0011 -0.0072 837 ASP A CG \n1090 O OD1 . ASP A 145 ? 0.4477 0.5045 0.5450 -0.0087 -0.0024 -0.0066 837 ASP A OD1 \n1091 O OD2 . ASP A 145 ? 0.4400 0.5023 0.5435 -0.0087 -0.0015 -0.0070 837 ASP A OD2 \n1092 N N . LEU A 146 ? 0.2286 0.2974 0.3440 -0.0023 0.0028 -0.0087 838 LEU A N \n1093 C CA . LEU A 146 ? 0.2692 0.3353 0.3837 -0.0004 0.0034 -0.0081 838 LEU A CA \n1094 C C . LEU A 146 ? 0.3420 0.4044 0.4528 -0.0006 0.0024 -0.0076 838 LEU A C \n1095 O O . LEU A 146 ? 0.2428 0.3066 0.3549 -0.0017 0.0011 -0.0079 838 LEU A O \n1096 C CB . LEU A 146 ? 0.2292 0.2976 0.3477 0.0004 0.0043 -0.0084 838 LEU A CB \n1097 C CG . LEU A 146 ? 0.2123 0.2779 0.3295 0.0018 0.0055 -0.0075 838 LEU A CG \n1098 C CD1 . LEU A 146 ? 0.2430 0.3078 0.3599 0.0029 0.0070 -0.0069 838 LEU A CD1 \n1099 C CD2 . LEU A 146 ? 0.2684 0.3358 0.3892 0.0019 0.0058 -0.0077 838 LEU A CD2 \n1100 N N . ALA A 147 ? 0.2679 0.3253 0.3740 0.0005 0.0029 -0.0069 839 ALA A N \n1101 C CA . ALA A 147 ? 0.2880 0.3398 0.3884 0.0005 0.0017 -0.0063 839 ALA A CA \n1102 C C . ALA A 147 ? 0.2938 0.3407 0.3896 0.0026 0.0036 -0.0059 839 ALA A C \n1103 O O . ALA A 147 ? 0.3003 0.3488 0.3980 0.0039 0.0053 -0.0061 839 ALA A O \n1104 C CB . ALA A 147 ? 0.2913 0.3414 0.3888 -0.0014 -0.0006 -0.0061 839 ALA A CB \n1105 N N . ALA A 148 ? 0.2782 0.3191 0.3681 0.0031 0.0035 -0.0055 840 ALA A N \n1106 C CA . ALA A 148 ? 0.3170 0.3526 0.4015 0.0053 0.0060 -0.0053 840 ALA A CA \n1107 C C . ALA A 148 ? 0.3748 0.4080 0.4564 0.0065 0.0060 -0.0056 840 ALA A C \n1108 O O . ALA A 148 ? 0.2922 0.3251 0.3738 0.0090 0.0088 -0.0058 840 ALA A O \n1109 C CB . ALA A 148 ? 0.3648 0.3926 0.4413 0.0053 0.0054 -0.0048 840 ALA A CB \n1110 N N . ARG A 149 ? 0.2988 0.3306 0.3783 0.0048 0.0028 -0.0055 841 ARG A N \n1111 C CA . ARG A 149 ? 0.3912 0.4204 0.4679 0.0056 0.0020 -0.0057 841 ARG A CA \n1112 C C . ARG A 149 ? 0.3389 0.3737 0.4220 0.0067 0.0033 -0.0062 841 ARG A C \n1113 O O . ARG A 149 ? 0.3461 0.3780 0.4270 0.0086 0.0033 -0.0065 841 ARG A O \n1114 C CB . ARG A 149 ? 0.3254 0.3523 0.3989 0.0026 -0.0018 -0.0052 841 ARG A CB \n1115 C CG . ARG A 149 ? 0.3017 0.3362 0.3821 0.0000 -0.0028 -0.0053 841 ARG A CG \n1116 C CD . ARG A 149 ? 0.3369 0.3701 0.4149 -0.0035 -0.0061 -0.0045 841 ARG A CD \n1117 N NE . ARG A 149 ? 0.3541 0.3954 0.4393 -0.0058 -0.0058 -0.0048 841 ARG A NE \n1118 C CZ . ARG A 149 ? 0.4556 0.5014 0.5456 -0.0069 -0.0060 -0.0048 841 ARG A CZ \n1119 N NH1 . ARG A 149 ? 0.3996 0.4418 0.4875 -0.0064 -0.0071 -0.0044 841 ARG A NH1 \n1120 N NH2 . ARG A 149 ? 0.3827 0.4359 0.4793 -0.0084 -0.0051 -0.0054 841 ARG A NH2 \n1121 N N . ASN A 150 ? 0.2986 0.3407 0.3894 0.0056 0.0041 -0.0062 842 ASN A N \n1122 C CA . ASN A 150 ? 0.3323 0.3794 0.4292 0.0061 0.0046 -0.0065 842 ASN A CA \n1123 C C . ASN A 150 ? 0.2613 0.3121 0.3636 0.0081 0.0076 -0.0065 842 ASN A C \n1124 O O . ASN A 150 ? 0.2997 0.3555 0.4083 0.0079 0.0077 -0.0065 842 ASN A O \n1125 C CB . ASN A 150 ? 0.3173 0.3690 0.4177 0.0033 0.0030 -0.0067 842 ASN A CB \n1126 C CG . ASN A 150 ? 0.4294 0.4782 0.5252 0.0011 0.0004 -0.0065 842 ASN A CG \n1127 O OD1 . ASN A 150 ? 0.3412 0.3850 0.4324 0.0020 -0.0007 -0.0064 842 ASN A OD1 \n1128 N ND2 . ASN A 150 ? 0.3278 0.3796 0.4250 -0.0017 -0.0004 -0.0066 842 ASN A ND2 \n1129 N N . VAL A 151 ? 0.2519 0.2996 0.3511 0.0097 0.0099 -0.0063 843 VAL A N \n1130 C CA . VAL A 151 ? 0.3401 0.3906 0.4435 0.0116 0.0135 -0.0060 843 VAL A CA \n1131 C C . VAL A 151 ? 0.3500 0.3961 0.4494 0.0148 0.0154 -0.0064 843 VAL A C \n1132 O O . VAL A 151 ? 0.3605 0.3996 0.4514 0.0154 0.0152 -0.0066 843 VAL A O \n1133 C CB . VAL A 151 ? 0.3035 0.3535 0.4057 0.0107 0.0152 -0.0055 843 VAL A CB \n1134 C CG1 . VAL A 151 ? 0.2925 0.3456 0.3991 0.0120 0.0192 -0.0050 843 VAL A CG1 \n1135 C CG2 . VAL A 151 ? 0.2531 0.3066 0.3588 0.0080 0.0128 -0.0055 843 VAL A CG2 \n1136 N N . LEU A 152 ? 0.3408 0.3908 0.4464 0.0170 0.0170 -0.0065 844 LEU A N \n1137 C CA . LEU A 152 ? 0.3145 0.3611 0.4176 0.0208 0.0189 -0.0072 844 LEU A CA \n1138 C C . LEU A 152 ? 0.3522 0.4021 0.4594 0.0230 0.0242 -0.0070 844 LEU A C \n1139 O O . LEU A 152 ? 0.3217 0.3784 0.4370 0.0217 0.0255 -0.0062 844 LEU A O \n1140 C CB . LEU A 152 ? 0.3413 0.3893 0.4485 0.0221 0.0160 -0.0077 844 LEU A CB \n1141 C CG . LEU A 152 ? 0.3468 0.3911 0.4492 0.0196 0.0110 -0.0077 844 LEU A CG \n1142 C CD1 . LEU A 152 ? 0.3691 0.4127 0.4733 0.0208 0.0079 -0.0081 844 LEU A CD1 \n1143 C CD2 . LEU A 152 ? 0.4076 0.4436 0.4991 0.0191 0.0101 -0.0079 844 LEU A CD2 \n1144 N N . VAL A 153 ? 0.3750 0.4196 0.4762 0.0261 0.0272 -0.0078 845 VAL A N \n1145 C CA . VAL A 153 ? 0.4231 0.4704 0.5273 0.0284 0.0332 -0.0078 845 VAL A CA \n1146 C C . VAL A 153 ? 0.4480 0.5015 0.5621 0.0320 0.0348 -0.0083 845 VAL A C \n1147 O O . VAL A 153 ? 0.4598 0.5093 0.5712 0.0355 0.0340 -0.0095 845 VAL A O \n1148 C CB . VAL A 153 ? 0.4368 0.4746 0.5284 0.0301 0.0362 -0.0085 845 VAL A CB \n1149 C CG1 . VAL A 153 ? 0.3912 0.4315 0.4848 0.0323 0.0433 -0.0085 845 VAL A CG1 \n1150 C CG2 . VAL A 153 ? 0.3953 0.4271 0.4781 0.0264 0.0337 -0.0077 845 VAL A CG2 \n1151 N N . LYS A 154 ? 0.3941 0.4571 0.5201 0.0311 0.0365 -0.0073 846 LYS A N \n1152 C CA . LYS A 154 ? 0.4828 0.5529 0.6200 0.0345 0.0386 -0.0075 846 LYS A CA \n1153 C C . LYS A 154 ? 0.4150 0.4851 0.5509 0.0375 0.0460 -0.0080 846 LYS A C \n1154 O O . LYS A 154 ? 0.4911 0.5598 0.6270 0.0422 0.0480 -0.0095 846 LYS A O \n1155 C CB . LYS A 154 ? 0.3972 0.4772 0.5476 0.0320 0.0372 -0.0060 846 LYS A CB \n1156 C CG . LYS A 154 ? 0.5679 0.6557 0.7315 0.0353 0.0380 -0.0061 846 LYS A CG \n1157 C CD . LYS A 154 ? 0.6311 0.7286 0.8073 0.0323 0.0381 -0.0042 846 LYS A CD \n1158 C CE . LYS A 154 ? 0.8648 0.9683 1.0532 0.0337 0.0340 -0.0040 846 LYS A CE \n1159 N NZ . LYS A 154 ? 0.6703 0.7794 0.8681 0.0386 0.0380 -0.0046 846 LYS A NZ \n1160 N N . THR A 155 ? 0.3995 0.4706 0.5335 0.0348 0.0499 -0.0068 847 THR A N \n1161 C CA . THR A 155 ? 0.4406 0.5088 0.5687 0.0366 0.0571 -0.0072 847 THR A CA \n1162 C C . THR A 155 ? 0.5646 0.6256 0.6811 0.0326 0.0570 -0.0064 847 THR A C \n1163 O O . THR A 155 ? 0.5342 0.5963 0.6518 0.0287 0.0525 -0.0053 847 THR A O \n1164 C CB . THR A 155 ? 0.4591 0.5379 0.5997 0.0372 0.0634 -0.0063 847 THR A CB \n1165 O OG1 . THR A 155 ? 0.4338 0.5175 0.5788 0.0320 0.0631 -0.0041 847 THR A OG1 \n1166 C CG2 . THR A 155 ? 0.5178 0.6057 0.6732 0.0406 0.0622 -0.0068 847 THR A CG2 \n1167 N N . PRO A 156 ? 0.5518 0.6051 0.6568 0.0338 0.0617 -0.0069 848 PRO A N \n1168 C CA . PRO A 156 ? 0.5172 0.5631 0.6111 0.0299 0.0613 -0.0059 848 PRO A CA \n1169 C C . PRO A 156 ? 0.5173 0.5702 0.6187 0.0253 0.0609 -0.0039 848 PRO A C \n1170 O O . PRO A 156 ? 0.5339 0.5819 0.6290 0.0218 0.0575 -0.0031 848 PRO A O \n1171 C CB . PRO A 156 ? 0.5562 0.5957 0.6402 0.0320 0.0684 -0.0066 848 PRO A CB \n1172 C CG . PRO A 156 ? 0.6456 0.6839 0.7296 0.0377 0.0702 -0.0087 848 PRO A CG \n1173 C CD . PRO A 156 ? 0.6294 0.6780 0.7288 0.0389 0.0666 -0.0088 848 PRO A CD \n1174 N N . GLN A 157 ? 0.4885 0.5522 0.6033 0.0253 0.0640 -0.0030 849 GLN A N \n1175 C CA . GLN A 157 ? 0.4706 0.5402 0.5921 0.0207 0.0632 -0.0009 849 GLN A CA \n1176 C C . GLN A 157 ? 0.4699 0.5470 0.6032 0.0194 0.0572 -0.0004 849 GLN A C \n1177 O O . GLN A 157 ? 0.5003 0.5829 0.6406 0.0160 0.0563 0.0012 849 GLN A O \n1178 C CB . GLN A 157 ? 0.6706 0.7463 0.7977 0.0200 0.0707 0.0004 849 GLN A CB \n1179 C CG . GLN A 157 ? 0.7676 0.8513 0.9050 0.0242 0.0758 -0.0003 849 GLN A CG \n1180 C CD . GLN A 157 ? 0.7219 0.7984 0.8491 0.0288 0.0809 -0.0023 849 GLN A CD \n1181 O OE1 . GLN A 157 ? 0.7378 0.8149 0.8677 0.0335 0.0804 -0.0042 849 GLN A OE1 \n1182 N NE2 . GLN A 157 ? 0.7377 0.8063 0.8521 0.0274 0.0855 -0.0020 849 GLN A NE2 \n1183 N N . HIS A 158 ? 0.4787 0.5549 0.6128 0.0218 0.0529 -0.0018 850 HIS A N \n1184 C CA . HIS A 158 ? 0.3820 0.4638 0.5254 0.0208 0.0472 -0.0015 850 HIS A CA \n1185 C C . HIS A 158 ? 0.3816 0.4571 0.5181 0.0215 0.0417 -0.0029 850 HIS A C \n1186 O O . HIS A 158 ? 0.4160 0.4887 0.5502 0.0249 0.0414 -0.0043 850 HIS A O \n1187 C CB . HIS A 158 ? 0.5193 0.6100 0.6759 0.0233 0.0486 -0.0014 850 HIS A CB \n1188 C CG . HIS A 158 ? 0.6223 0.7185 0.7886 0.0217 0.0430 -0.0008 850 HIS A CG \n1189 N ND1 . HIS A 158 ? 0.7603 0.8659 0.9405 0.0217 0.0435 0.0003 850 HIS A ND1 \n1190 C CD2 . HIS A 158 ? 0.5044 0.5978 0.6681 0.0200 0.0368 -0.0011 850 HIS A CD2 \n1191 C CE1 . HIS A 158 ? 0.6793 0.7865 0.8640 0.0201 0.0374 0.0006 850 HIS A CE1 \n1192 N NE2 . HIS A 158 ? 0.5429 0.6428 0.7175 0.0191 0.0336 -0.0003 850 HIS A NE2 \n1193 N N . VAL A 159 ? 0.3189 0.3921 0.4522 0.0183 0.0373 -0.0026 851 VAL A N \n1194 C CA . VAL A 159 ? 0.2849 0.3532 0.4125 0.0183 0.0323 -0.0037 851 VAL A CA \n1195 C C . VAL A 159 ? 0.3025 0.3753 0.4369 0.0164 0.0276 -0.0034 851 VAL A C \n1196 O O . VAL A 159 ? 0.3993 0.4774 0.5408 0.0145 0.0274 -0.0024 851 VAL A O \n1197 C CB . VAL A 159 ? 0.2840 0.3445 0.4004 0.0166 0.0311 -0.0038 851 VAL A CB \n1198 C CG1 . VAL A 159 ? 0.3096 0.3638 0.4174 0.0184 0.0353 -0.0041 851 VAL A CG1 \n1199 C CG2 . VAL A 159 ? 0.3150 0.3771 0.4328 0.0132 0.0301 -0.0028 851 VAL A CG2 \n1200 N N . LYS A 160 ? 0.2576 0.3277 0.3893 0.0169 0.0238 -0.0043 852 LYS A N \n1201 C CA . LYS A 160 ? 0.3099 0.3830 0.4465 0.0153 0.0195 -0.0043 852 LYS A CA \n1202 C C . LYS A 160 ? 0.3318 0.4003 0.4614 0.0136 0.0160 -0.0050 852 LYS A C \n1203 O O . LYS A 160 ? 0.3538 0.4169 0.4761 0.0146 0.0157 -0.0056 852 LYS A O \n1204 C CB . LYS A 160 ? 0.3028 0.3780 0.4449 0.0178 0.0184 -0.0046 852 LYS A CB \n1205 C CG . LYS A 160 ? 0.3747 0.4558 0.5258 0.0199 0.0219 -0.0039 852 LYS A CG \n1206 C CD . LYS A 160 ? 0.4201 0.5032 0.5773 0.0226 0.0199 -0.0044 852 LYS A CD \n1207 C CE . LYS A 160 ? 0.4913 0.5779 0.6553 0.0205 0.0152 -0.0036 852 LYS A CE \n1208 N NZ . LYS A 160 ? 0.5999 0.6891 0.7716 0.0232 0.0131 -0.0037 852 LYS A NZ \n1209 N N . ILE A 161 ? 0.2815 0.3522 0.4134 0.0112 0.0132 -0.0049 853 ILE A N \n1210 C CA . ILE A 161 ? 0.3166 0.3845 0.4432 0.0093 0.0104 -0.0056 853 ILE A CA \n1211 C C . ILE A 161 ? 0.3359 0.4024 0.4618 0.0093 0.0075 -0.0060 853 ILE A C \n1212 O O . ILE A 161 ? 0.3347 0.4037 0.4659 0.0100 0.0064 -0.0057 853 ILE A O \n1213 C CB . ILE A 161 ? 0.2598 0.3303 0.3886 0.0068 0.0093 -0.0056 853 ILE A CB \n1214 C CG1 . ILE A 161 ? 0.2723 0.3431 0.4012 0.0066 0.0115 -0.0051 853 ILE A CG1 \n1215 C CG2 . ILE A 161 ? 0.3457 0.4144 0.4703 0.0050 0.0071 -0.0064 853 ILE A CG2 \n1216 C CD1 . ILE A 161 ? 0.3945 0.4682 0.5275 0.0049 0.0106 -0.0049 853 ILE A CD1 \n1217 N N . THR A 162 ? 0.2592 0.3215 0.3785 0.0085 0.0059 -0.0064 854 THR A N \n1218 C CA . THR A 162 ? 0.2861 0.3459 0.4029 0.0078 0.0029 -0.0067 854 THR A CA \n1219 C C . THR A 162 ? 0.2984 0.3569 0.4106 0.0046 0.0013 -0.0069 854 THR A C \n1220 O O . THR A 162 ? 0.3447 0.4046 0.4566 0.0035 0.0024 -0.0070 854 THR A O \n1221 C CB . THR A 162 ? 0.2564 0.3112 0.3691 0.0103 0.0025 -0.0068 854 THR A CB \n1222 O OG1 . THR A 162 ? 0.2685 0.3207 0.3796 0.0098 -0.0009 -0.0069 854 THR A OG1 \n1223 C CG2 . THR A 162 ? 0.3036 0.3532 0.4084 0.0099 0.0027 -0.0070 854 THR A CG2 \n1224 N N . ASP A 163 ? 0.2771 0.3330 0.3861 0.0031 -0.0013 -0.0070 855 ASP A N \n1225 C CA . ASP A 163 ? 0.3725 0.4269 0.4764 -0.0001 -0.0025 -0.0071 855 ASP A CA \n1226 C C . ASP A 163 ? 0.2956 0.3544 0.4023 -0.0023 -0.0017 -0.0076 855 ASP A C \n1227 O O . ASP A 163 ? 0.4732 0.5325 0.5774 -0.0047 -0.0016 -0.0078 855 ASP A O \n1228 C CB . ASP A 163 ? 0.3851 0.4371 0.4849 -0.0004 -0.0020 -0.0069 855 ASP A CB \n1229 C CG . ASP A 163 ? 0.5026 0.5505 0.5959 -0.0032 -0.0042 -0.0066 855 ASP A CG \n1230 O OD1 . ASP A 163 ? 0.4714 0.5158 0.5615 -0.0038 -0.0064 -0.0064 855 ASP A OD1 \n1231 O OD2 . ASP A 163 ? 0.4940 0.5419 0.5854 -0.0050 -0.0042 -0.0063 855 ASP A OD2 \n1232 N N . PHE A 164 ? 0.3455 0.4071 0.4571 -0.0013 -0.0013 -0.0077 856 PHE A N \n1233 C CA . PHE A 164 ? 0.2923 0.3570 0.4059 -0.0028 -0.0007 -0.0084 856 PHE A CA \n1234 C C . PHE A 164 ? 0.4270 0.4895 0.5366 -0.0052 -0.0024 -0.0087 856 PHE A C \n1235 O O . PHE A 164 ? 0.3875 0.4466 0.4953 -0.0052 -0.0047 -0.0082 856 PHE A O \n1236 C CB . PHE A 164 ? 0.3394 0.4067 0.4588 -0.0013 -0.0003 -0.0082 856 PHE A CB \n1237 C CG . PHE A 164 ? 0.4110 0.4775 0.5332 0.0000 -0.0018 -0.0074 856 PHE A CG \n1238 C CD1 . PHE A 164 ? 0.4347 0.5018 0.5598 0.0025 -0.0007 -0.0068 856 PHE A CD1 \n1239 C CD2 . PHE A 164 ? 0.3824 0.4474 0.5044 -0.0009 -0.0044 -0.0074 856 PHE A CD2 \n1240 C CE1 . PHE A 164 ? 0.3572 0.4246 0.4864 0.0041 -0.0019 -0.0062 856 PHE A CE1 \n1241 C CE2 . PHE A 164 ? 0.4610 0.5256 0.5868 0.0004 -0.0064 -0.0066 856 PHE A CE2 \n1242 C CZ . PHE A 164 ? 0.3281 0.3944 0.4581 0.0031 -0.0051 -0.0061 856 PHE A CZ \n1243 N N . GLY A 165 ? 0.3466 0.4107 0.4547 -0.0073 -0.0012 -0.0095 857 GLY A N \n1244 C CA . GLY A 165 ? 0.3407 0.4025 0.4441 -0.0098 -0.0020 -0.0099 857 GLY A CA \n1245 C C . GLY A 165 ? 0.3942 0.4527 0.4913 -0.0124 -0.0028 -0.0095 857 GLY A C \n1246 O O . GLY A 165 ? 0.4113 0.4668 0.5031 -0.0149 -0.0034 -0.0096 857 GLY A O \n1247 N N . LEU A 166 ? 0.4096 0.4675 0.5061 -0.0121 -0.0030 -0.0088 858 LEU A N \n1248 C CA . LEU A 166 ? 0.3812 0.4352 0.4713 -0.0148 -0.0043 -0.0081 858 LEU A CA \n1249 C C . LEU A 166 ? 0.4139 0.4714 0.5031 -0.0180 -0.0019 -0.0085 858 LEU A C \n1250 O O . LEU A 166 ? 0.4059 0.4608 0.4894 -0.0215 -0.0022 -0.0081 858 LEU A O \n1251 C CB . LEU A 166 ? 0.4737 0.5250 0.5629 -0.0133 -0.0056 -0.0072 858 LEU A CB \n1252 C CG . LEU A 166 ? 0.5130 0.5574 0.5949 -0.0149 -0.0085 -0.0063 858 LEU A CG \n1253 C CD1 . LEU A 166 ? 0.5555 0.5952 0.6346 -0.0145 -0.0113 -0.0061 858 LEU A CD1 \n1254 C CD2 . LEU A 166 ? 0.4102 0.4521 0.4917 -0.0124 -0.0094 -0.0058 858 LEU A CD2 \n1255 N N . ALA A 167 ? 0.3981 0.4613 0.4931 -0.0169 0.0003 -0.0091 859 ALA A N \n1256 C CA . ALA A 167 ? 0.4244 0.4923 0.5207 -0.0193 0.0027 -0.0097 859 ALA A CA \n1257 C C . ALA A 167 ? 0.4541 0.5224 0.5478 -0.0211 0.0045 -0.0107 859 ALA A C \n1258 O O . ALA A 167 ? 0.4212 0.4910 0.5125 -0.0244 0.0063 -0.0108 859 ALA A O \n1259 C CB . ALA A 167 ? 0.3835 0.4571 0.4870 -0.0172 0.0042 -0.0104 859 ALA A CB \n1260 N N . LYS A 168 ? 0.3944 0.4610 0.4883 -0.0191 0.0040 -0.0115 860 LYS A N \n1261 C CA . LYS A 168 ? 0.4631 0.5280 0.5527 -0.0207 0.0051 -0.0125 860 LYS A CA \n1262 C C . LYS A 168 ? 0.4276 0.4859 0.5084 -0.0240 0.0032 -0.0114 860 LYS A C \n1263 O O . LYS A 168 ? 0.5035 0.5608 0.5790 -0.0272 0.0051 -0.0118 860 LYS A O \n1264 C CB . LYS A 168 ? 0.5459 0.6094 0.6373 -0.0180 0.0041 -0.0132 860 LYS A CB \n1265 C CG . LYS A 168 ? 0.6211 0.6798 0.7055 -0.0198 0.0039 -0.0140 860 LYS A CG \n1266 C CD . LYS A 168 ? 0.6370 0.6961 0.7238 -0.0176 0.0042 -0.0153 860 LYS A CD \n1267 C CE . LYS A 168 ? 0.7906 0.8452 0.8695 -0.0195 0.0052 -0.0165 860 LYS A CE \n1268 N NZ . LYS A 168 ? 0.8792 0.9347 0.9600 -0.0173 0.0064 -0.0183 860 LYS A NZ \n1269 N N . LEU A 169 ? 0.4018 0.4553 0.4810 -0.0231 -0.0004 -0.0102 861 LEU A N \n1270 C CA . LEU A 169 ? 0.4997 0.5455 0.5702 -0.0258 -0.0033 -0.0092 861 LEU A CA \n1271 C C . LEU A 169 ? 0.5116 0.5569 0.5769 -0.0301 -0.0020 -0.0084 861 LEU A C \n1272 O O . LEU A 169 ? 0.5070 0.5471 0.5639 -0.0338 -0.0026 -0.0080 861 LEU A O \n1273 C CB . LEU A 169 ? 0.5362 0.5777 0.6073 -0.0234 -0.0075 -0.0081 861 LEU A CB \n1274 C CG . LEU A 169 ? 0.7381 0.7708 0.8009 -0.0253 -0.0117 -0.0070 861 LEU A CG \n1275 C CD1 . LEU A 169 ? 0.9177 0.9452 0.9743 -0.0274 -0.0130 -0.0073 861 LEU A CD1 \n1276 C CD2 . LEU A 169 ? 0.5587 0.5890 0.6249 -0.0215 -0.0151 -0.0064 861 LEU A CD2 \n1277 N N . LEU A 170 ? 0.5120 0.5625 0.5823 -0.0299 -0.0005 -0.0081 862 LEU A N \n1278 C CA . LEU A 170 ? 0.5600 0.6107 0.6268 -0.0341 0.0000 -0.0070 862 LEU A CA \n1279 C C . LEU A 170 ? 0.5690 0.6265 0.6378 -0.0368 0.0048 -0.0079 862 LEU A C \n1280 O O . LEU A 170 ? 0.5828 0.6420 0.6501 -0.0408 0.0059 -0.0069 862 LEU A O \n1281 C CB . LEU A 170 ? 0.5311 0.5827 0.6014 -0.0327 -0.0016 -0.0060 862 LEU A CB \n1282 C CG . LEU A 170 ? 0.5454 0.5893 0.6117 -0.0309 -0.0062 -0.0050 862 LEU A CG \n1283 C CD1 . LEU A 170 ? 0.5737 0.6185 0.6432 -0.0291 -0.0070 -0.0044 862 LEU A CD1 \n1284 C CD2 . LEU A 170 ? 0.5706 0.6061 0.6267 -0.0348 -0.0091 -0.0037 862 LEU A CD2 \n1285 N N . GLY A 171 ? 0.5806 0.6421 0.6532 -0.0347 0.0077 -0.0097 863 GLY A N \n1286 C CA . GLY A 171 ? 0.5244 0.5922 0.5990 -0.0365 0.0127 -0.0110 863 GLY A CA \n1287 C C . GLY A 171 ? 0.4499 0.5273 0.5347 -0.0354 0.0152 -0.0115 863 GLY A C \n1288 O O . GLY A 171 ? 0.5782 0.6617 0.6654 -0.0377 0.0192 -0.0121 863 GLY A O \n1289 N N . ALA A 172 ? 0.4607 0.5396 0.5517 -0.0318 0.0129 -0.0113 864 ALA A N \n1290 C CA . ALA A 172 ? 0.4768 0.5635 0.5771 -0.0306 0.0140 -0.0116 864 ALA A CA \n1291 C C . ALA A 172 ? 0.4245 0.5179 0.5314 -0.0280 0.0177 -0.0139 864 ALA A C \n1292 O O . ALA A 172 ? 0.4703 0.5705 0.5856 -0.0268 0.0185 -0.0144 864 ALA A O \n1293 C CB . ALA A 172 ? 0.4623 0.5470 0.5654 -0.0278 0.0105 -0.0106 864 ALA A CB \n1294 N N . GLU A 173 ? 0.4016 0.4925 0.5046 -0.0270 0.0192 -0.0154 865 GLU A N \n1295 C CA . GLU A 173 ? 0.4931 0.5890 0.6008 -0.0245 0.0228 -0.0180 865 GLU A CA \n1296 C C . GLU A 173 ? 0.5388 0.6389 0.6452 -0.0276 0.0278 -0.0190 865 GLU A C \n1297 O O . GLU A 173 ? 0.4377 0.5427 0.5481 -0.0255 0.0314 -0.0213 865 GLU A O \n1298 C CB . GLU A 173 ? 0.4546 0.5449 0.5583 -0.0217 0.0217 -0.0192 865 GLU A CB \n1299 C CG . GLU A 173 ? 0.6108 0.6977 0.7164 -0.0188 0.0175 -0.0182 865 GLU A CG \n1300 C CD . GLU A 173 ? 0.7760 0.8593 0.8803 -0.0160 0.0166 -0.0194 865 GLU A CD \n1301 O OE1 . GLU A 173 ? 0.6465 0.7296 0.7549 -0.0133 0.0143 -0.0191 865 GLU A OE1 \n1302 O OE2 . GLU A 173 ? 0.7467 0.8270 0.8454 -0.0168 0.0182 -0.0207 865 GLU A OE2 \n1303 N N . GLU A 174 ? 0.5312 0.6292 0.6318 -0.0324 0.0280 -0.0172 866 GLU A N \n1304 C CA . GLU A 174 ? 0.5210 0.6227 0.6192 -0.0363 0.0330 -0.0177 866 GLU A CA \n1305 C C . GLU A 174 ? 0.4482 0.5565 0.5523 -0.0398 0.0334 -0.0159 866 GLU A C \n1306 O O . GLU A 174 ? 0.4220 0.5289 0.5283 -0.0398 0.0290 -0.0140 866 GLU A O \n1307 C CB . GLU A 174 ? 0.5265 0.6187 0.6110 -0.0401 0.0329 -0.0170 866 GLU A CB \n1308 C CG . GLU A 174 ? 0.6357 0.7215 0.7136 -0.0376 0.0332 -0.0190 866 GLU A CG \n1309 C CD . GLU A 174 ? 0.8191 0.8985 0.8963 -0.0341 0.0276 -0.0184 866 GLU A CD \n1310 O OE1 . GLU A 174 ? 0.9575 1.0343 1.0336 -0.0310 0.0274 -0.0201 866 GLU A OE1 \n1311 O OE2 . GLU A 174 ? 0.8109 0.8879 0.8886 -0.0345 0.0233 -0.0163 866 GLU A OE2 \n1312 N N . LYS A 175 ? 0.3976 0.5130 0.5043 -0.0428 0.0387 -0.0165 867 LYS A N \n1313 C CA . LYS A 175 ? 0.5223 0.6461 0.6372 -0.0460 0.0394 -0.0148 867 LYS A CA \n1314 C C . LYS A 175 ? 0.4677 0.5855 0.5746 -0.0519 0.0363 -0.0116 867 LYS A C \n1315 O O . LYS A 175 ? 0.4393 0.5603 0.5516 -0.0540 0.0336 -0.0095 867 LYS A O \n1316 C CB . LYS A 175 ? 0.3908 0.5254 0.5125 -0.0473 0.0467 -0.0165 867 LYS A CB \n1317 C CG . LYS A 175 ? 0.4489 0.5804 0.5599 -0.0517 0.0519 -0.0169 867 LYS A CG \n1318 C CD . LYS A 175 ? 0.4183 0.5576 0.5339 -0.0494 0.0595 -0.0202 867 LYS A CD \n1319 C CE . LYS A 175 ? 0.4244 0.5564 0.5256 -0.0523 0.0640 -0.0212 867 LYS A CE \n1320 N NZ . LYS A 175 ? 0.4857 0.6032 0.5734 -0.0511 0.0591 -0.0210 867 LYS A NZ \n1321 N N . GLU A 176 ? 0.4400 0.5481 0.5337 -0.0545 0.0360 -0.0111 868 GLU A N \n1322 C CA . GLU A 176 ? 0.5289 0.6301 0.6131 -0.0605 0.0334 -0.0082 868 GLU A CA \n1323 C C . GLU A 176 ? 0.5488 0.6451 0.6333 -0.0598 0.0264 -0.0060 868 GLU A C \n1324 O O . GLU A 176 ? 0.4754 0.5723 0.5600 -0.0642 0.0246 -0.0036 868 GLU A O \n1325 C CB . GLU A 176 ? 0.6021 0.6923 0.6715 -0.0625 0.0335 -0.0084 868 GLU A CB \n1326 C CG . GLU A 176 ? 0.6207 0.7137 0.6858 -0.0658 0.0405 -0.0096 868 GLU A CG \n1327 C CD . GLU A 176 ? 0.6491 0.7473 0.7193 -0.0607 0.0453 -0.0132 868 GLU A CD \n1328 O OE1 . GLU A 176 ? 0.4811 0.5775 0.5545 -0.0549 0.0423 -0.0146 868 GLU A OE1 \n1329 O OE2 . GLU A 176 ? 0.5551 0.6590 0.6257 -0.0626 0.0522 -0.0146 868 GLU A OE2 \n1330 N N . TYR A 177 ? 0.5147 0.6061 0.5991 -0.0544 0.0228 -0.0069 869 TYR A N \n1331 C CA . TYR A 177 ? 0.5059 0.5931 0.5913 -0.0525 0.0169 -0.0054 869 TYR A CA \n1332 C C . TYR A 177 ? 0.5519 0.6465 0.6467 -0.0535 0.0162 -0.0042 869 TYR A C \n1333 O O . TYR A 177 ? 0.5002 0.5905 0.5919 -0.0560 0.0122 -0.0020 869 TYR A O \n1334 C CB . TYR A 177 ? 0.5505 0.6351 0.6380 -0.0460 0.0150 -0.0069 869 TYR A CB \n1335 C CG . TYR A 177 ? 0.4925 0.5731 0.5810 -0.0435 0.0100 -0.0058 869 TYR A CG \n1336 C CD1 . TYR A 177 ? 0.4194 0.5054 0.5170 -0.0402 0.0096 -0.0062 869 TYR A CD1 \n1337 C CD2 . TYR A 177 ? 0.5127 0.5835 0.5924 -0.0444 0.0057 -0.0042 869 TYR A CD2 \n1338 C CE1 . TYR A 177 ? 0.4150 0.4964 0.5121 -0.0380 0.0054 -0.0052 869 TYR A CE1 \n1339 C CE2 . TYR A 177 ? 0.4952 0.5620 0.5751 -0.0418 0.0017 -0.0034 869 TYR A CE2 \n1340 C CZ . TYR A 177 ? 0.4832 0.5552 0.5715 -0.0387 0.0018 -0.0039 869 TYR A CZ \n1341 O OH . TYR A 177 ? 0.4906 0.5578 0.5779 -0.0363 -0.0016 -0.0031 869 TYR A OH \n1342 N N . HIS A 178 ? 0.4673 0.5724 0.5732 -0.0515 0.0198 -0.0058 870 HIS A N \n1343 C CA . HIS A 178 ? 0.4297 0.5423 0.5461 -0.0519 0.0186 -0.0049 870 HIS A CA \n1344 C C . HIS A 178 ? 0.5297 0.6474 0.6476 -0.0586 0.0202 -0.0029 870 HIS A C \n1345 O O . HIS A 178 ? 0.4814 0.6004 0.6030 -0.0610 0.0168 -0.0008 870 HIS A O \n1346 C CB . HIS A 178 ? 0.4690 0.5906 0.5970 -0.0470 0.0213 -0.0074 870 HIS A CB \n1347 C CG . HIS A 178 ? 0.4917 0.6084 0.6187 -0.0410 0.0192 -0.0089 870 HIS A CG \n1348 N ND1 . HIS A 178 ? 0.5360 0.6488 0.6577 -0.0384 0.0211 -0.0107 870 HIS A ND1 \n1349 C CD2 . HIS A 178 ? 0.4446 0.5593 0.5748 -0.0374 0.0152 -0.0087 870 HIS A CD2 \n1350 C CE1 . HIS A 178 ? 0.4307 0.5401 0.5533 -0.0337 0.0184 -0.0114 870 HIS A CE1 \n1351 N NE2 . HIS A 178 ? 0.6096 0.7200 0.7370 -0.0330 0.0151 -0.0103 870 HIS A NE2 \n1352 N N . ALA A 179 ? 0.5363 0.6565 0.6510 -0.0618 0.0254 -0.0035 871 ALA A N \n1353 C CA . ALA A 179 ? 0.5903 0.7151 0.7053 -0.0690 0.0277 -0.0014 871 ALA A CA \n1354 C C . ALA A 179 ? 0.6575 0.7714 0.7610 -0.0740 0.0225 0.0016 871 ALA A C \n1355 O O . ALA A 179 ? 0.5472 0.6637 0.6523 -0.0797 0.0215 0.0042 871 ALA A O \n1356 C CB . ALA A 179 ? 0.5564 0.6851 0.6688 -0.0712 0.0351 -0.0030 871 ALA A CB \n1357 N N . GLU A 180 ? 0.5940 0.6957 0.6862 -0.0718 0.0189 0.0015 872 GLU A N \n1358 C CA . GLU A 180 ? 0.6530 0.7428 0.7330 -0.0756 0.0136 0.0041 872 GLU A CA \n1359 C C . GLU A 180 ? 0.6943 0.7789 0.7750 -0.0733 0.0070 0.0054 872 GLU A C \n1360 O O . GLU A 180 ? 0.7354 0.8086 0.8057 -0.0743 0.0021 0.0068 872 GLU A O \n1361 C CB . GLU A 180 ? 0.8126 0.8916 0.8800 -0.0745 0.0130 0.0032 872 GLU A CB \n1362 C CG . GLU A 180 ? 0.9310 1.0104 0.9920 -0.0792 0.0181 0.0030 872 GLU A CG \n1363 C CD . GLU A 180 ? 1.1978 1.2687 1.2495 -0.0764 0.0181 0.0013 872 GLU A CD \n1364 O OE1 . GLU A 180 ? 1.2640 1.3250 1.3096 -0.0736 0.0125 0.0016 872 GLU A OE1 \n1365 O OE2 . GLU A 180 ? 1.1870 1.2609 1.2374 -0.0770 0.0236 -0.0003 872 GLU A OE2 \n1366 N N . GLY A 181 ? 0.6818 0.7741 0.7741 -0.0701 0.0068 0.0047 873 GLY A N \n1367 C CA . GLY A 181 ? 0.6288 0.7164 0.7216 -0.0683 0.0009 0.0060 873 GLY A CA \n1368 C C . GLY A 181 ? 0.5118 0.5940 0.6035 -0.0611 -0.0012 0.0042 873 GLY A C \n1369 O O . GLY A 181 ? 0.5353 0.6130 0.6267 -0.0591 -0.0055 0.0050 873 GLY A O \n1370 N N . GLY A 182 ? 0.4618 0.5441 0.5526 -0.0574 0.0018 0.0020 874 GLY A N \n1371 C CA . GLY A 182 ? 0.5354 0.6132 0.6255 -0.0509 0.0002 0.0005 874 GLY A CA \n1372 C C . GLY A 182 ? 0.5326 0.6163 0.6326 -0.0470 0.0001 -0.0003 874 GLY A C \n1373 O O . GLY A 182 ? 0.4218 0.5153 0.5312 -0.0477 0.0028 -0.0009 874 GLY A O \n1374 N N . LYS A 183 ? 0.4603 0.5380 0.5582 -0.0429 -0.0030 -0.0005 875 LYS A N \n1375 C CA . LYS A 183 ? 0.5038 0.5852 0.6093 -0.0393 -0.0037 -0.0012 875 LYS A CA \n1376 C C . LYS A 183 ? 0.5168 0.5968 0.6228 -0.0338 -0.0025 -0.0031 875 LYS A C \n1377 O O . LYS A 183 ? 0.4771 0.5517 0.5770 -0.0324 -0.0023 -0.0035 875 LYS A O \n1378 C CB . LYS A 183 ? 0.6708 0.7458 0.7730 -0.0398 -0.0086 0.0005 875 LYS A CB \n1379 C CG . LYS A 183 ? 0.7606 0.8365 0.8626 -0.0457 -0.0107 0.0028 875 LYS A CG \n1380 C CD . LYS A 183 ? 0.7992 0.8849 0.9128 -0.0468 -0.0105 0.0030 875 LYS A CD \n1381 C CE . LYS A 183 ? 0.8655 0.9518 0.9792 -0.0530 -0.0133 0.0056 875 LYS A CE \n1382 N NZ . LYS A 183 ? 0.8241 0.9172 0.9483 -0.0537 -0.0153 0.0063 875 LYS A NZ \n1383 N N . VAL A 184 ? 0.4556 0.5405 0.5692 -0.0308 -0.0019 -0.0041 876 VAL A N \n1384 C CA . VAL A 184 ? 0.4440 0.5281 0.5589 -0.0259 -0.0009 -0.0057 876 VAL A CA \n1385 C C . VAL A 184 ? 0.3896 0.4716 0.5065 -0.0234 -0.0035 -0.0053 876 VAL A C \n1386 O O . VAL A 184 ? 0.4569 0.5402 0.5764 -0.0253 -0.0058 -0.0043 876 VAL A O \n1387 C CB . VAL A 184 ? 0.3765 0.4680 0.4978 -0.0245 0.0028 -0.0077 876 VAL A CB \n1388 C CG1 . VAL A 184 ? 0.4138 0.5039 0.5300 -0.0259 0.0051 -0.0083 876 VAL A CG1 \n1389 C CG2 . VAL A 184 ? 0.4331 0.5334 0.5629 -0.0264 0.0042 -0.0080 876 VAL A CG2 \n1390 N N . PRO A 185 ? 0.3997 0.4778 0.5147 -0.0196 -0.0035 -0.0060 877 PRO A N \n1391 C CA . PRO A 185 ? 0.3479 0.4220 0.4622 -0.0175 -0.0059 -0.0056 877 PRO A CA \n1392 C C . PRO A 185 ? 0.3583 0.4380 0.4807 -0.0162 -0.0060 -0.0064 877 PRO A C \n1393 O O . PRO A 185 ? 0.3013 0.3809 0.4253 -0.0132 -0.0051 -0.0074 877 PRO A O \n1394 C CB . PRO A 185 ? 0.3924 0.4613 0.5022 -0.0142 -0.0049 -0.0060 877 PRO A CB \n1395 C CG . PRO A 185 ? 0.3646 0.4377 0.4770 -0.0138 -0.0021 -0.0072 877 PRO A CG \n1396 C CD . PRO A 185 ? 0.4643 0.5410 0.5772 -0.0174 -0.0015 -0.0070 877 PRO A CD \n1397 N N . ILE A 186 ? 0.2826 0.3670 0.4102 -0.0186 -0.0073 -0.0059 878 ILE A N \n1398 C CA . ILE A 186 ? 0.3351 0.4260 0.4719 -0.0173 -0.0074 -0.0070 878 ILE A CA \n1399 C C . ILE A 186 ? 0.2910 0.3776 0.4274 -0.0141 -0.0096 -0.0072 878 ILE A C \n1400 O O . ILE A 186 ? 0.2894 0.3799 0.4316 -0.0117 -0.0089 -0.0086 878 ILE A O \n1401 C CB . ILE A 186 ? 0.3264 0.4229 0.4697 -0.0205 -0.0093 -0.0060 878 ILE A CB \n1402 C CG1 . ILE A 186 ? 0.3768 0.4798 0.5224 -0.0237 -0.0060 -0.0061 878 ILE A CG1 \n1403 C CG2 . ILE A 186 ? 0.3291 0.4311 0.4820 -0.0184 -0.0106 -0.0070 878 ILE A CG2 \n1404 C CD1 . ILE A 186 ? 0.4177 0.5295 0.5707 -0.0222 -0.0015 -0.0084 878 ILE A CD1 \n1405 N N . LYS A 187 ? 0.3059 0.3839 0.4348 -0.0142 -0.0125 -0.0058 879 LYS A N \n1406 C CA . LYS A 187 ? 0.2655 0.3382 0.3926 -0.0119 -0.0149 -0.0057 879 LYS A CA \n1407 C C . LYS A 187 ? 0.2496 0.3199 0.3741 -0.0089 -0.0122 -0.0067 879 LYS A C \n1408 O O . LYS A 187 ? 0.3014 0.3677 0.4244 -0.0071 -0.0136 -0.0067 879 LYS A O \n1409 C CB . LYS A 187 ? 0.3044 0.3677 0.4233 -0.0132 -0.0187 -0.0039 879 LYS A CB \n1410 C CG . LYS A 187 ? 0.4207 0.4863 0.5439 -0.0162 -0.0228 -0.0027 879 LYS A CG \n1411 C CD . LYS A 187 ? 0.4529 0.5080 0.5661 -0.0180 -0.0266 -0.0008 879 LYS A CD \n1412 C CE . LYS A 187 ? 0.3576 0.4147 0.4755 -0.0214 -0.0314 0.0006 879 LYS A CE \n1413 N NZ . LYS A 187 ? 0.3886 0.4340 0.4956 -0.0232 -0.0359 0.0025 879 LYS A NZ \n1414 N N . TRP A 188 ? 0.2492 0.3218 0.3731 -0.0086 -0.0088 -0.0074 880 TRP A N \n1415 C CA . TRP A 188 ? 0.3357 0.4076 0.4588 -0.0061 -0.0063 -0.0082 880 TRP A CA \n1416 C C . TRP A 188 ? 0.3177 0.3968 0.4477 -0.0053 -0.0042 -0.0099 880 TRP A C \n1417 O O . TRP A 188 ? 0.3613 0.4399 0.4913 -0.0035 -0.0028 -0.0107 880 TRP A O \n1418 C CB . TRP A 188 ? 0.2820 0.3500 0.3989 -0.0061 -0.0046 -0.0077 880 TRP A CB \n1419 C CG . TRP A 188 ? 0.3075 0.3672 0.4168 -0.0054 -0.0058 -0.0066 880 TRP A CG \n1420 C CD1 . TRP A 188 ? 0.3092 0.3646 0.4150 -0.0034 -0.0046 -0.0064 880 TRP A CD1 \n1421 C CD2 . TRP A 188 ? 0.3521 0.4065 0.4560 -0.0070 -0.0084 -0.0054 880 TRP A CD2 \n1422 N NE1 . TRP A 188 ? 0.3136 0.3612 0.4117 -0.0033 -0.0058 -0.0054 880 TRP A NE1 \n1423 C CE2 . TRP A 188 ? 0.3401 0.3865 0.4365 -0.0054 -0.0084 -0.0048 880 TRP A CE2 \n1424 C CE3 . TRP A 188 ? 0.3467 0.4023 0.4511 -0.0098 -0.0106 -0.0047 880 TRP A CE3 \n1425 C CZ2 . TRP A 188 ? 0.3533 0.3916 0.4417 -0.0062 -0.0108 -0.0038 880 TRP A CZ2 \n1426 C CZ3 . TRP A 188 ? 0.3428 0.3906 0.4398 -0.0110 -0.0136 -0.0034 880 TRP A CZ3 \n1427 C CH2 . TRP A 188 ? 0.2822 0.3212 0.3710 -0.0090 -0.0138 -0.0031 880 TRP A CH2 \n1428 N N . MET A 189 ? 0.2739 0.3593 0.4094 -0.0067 -0.0040 -0.0106 881 MET A N \n1429 C CA . MET A 189 ? 0.2628 0.3543 0.4031 -0.0060 -0.0012 -0.0124 881 MET A CA \n1430 C C . MET A 189 ? 0.2804 0.3752 0.4271 -0.0037 -0.0017 -0.0139 881 MET A C \n1431 O O . MET A 189 ? 0.2816 0.3772 0.4321 -0.0034 -0.0044 -0.0136 881 MET A O \n1432 C CB . MET A 189 ? 0.2925 0.3892 0.4348 -0.0088 0.0004 -0.0125 881 MET A CB \n1433 C CG . MET A 189 ? 0.3302 0.4235 0.4656 -0.0109 0.0014 -0.0114 881 MET A CG \n1434 S SD . MET A 189 ? 0.3900 0.4880 0.5268 -0.0152 0.0023 -0.0108 881 MET A SD \n1435 C CE . MET A 189 ? 0.3248 0.4309 0.4676 -0.0146 0.0065 -0.0132 881 MET A CE \n1436 N N . ALA A 190 ? 0.2680 0.3642 0.4158 -0.0019 0.0002 -0.0155 882 ALA A N \n1437 C CA . ALA A 190 ? 0.2123 0.3113 0.3659 0.0007 -0.0003 -0.0173 882 ALA A CA \n1438 C C . ALA A 190 ? 0.2428 0.3498 0.4041 0.0002 0.0007 -0.0185 882 ALA A C \n1439 O O . ALA A 190 ? 0.2364 0.3471 0.3976 -0.0020 0.0031 -0.0183 882 ALA A O \n1440 C CB . ALA A 190 ? 0.1870 0.2851 0.3392 0.0024 0.0016 -0.0188 882 ALA A CB \n1441 N N . LEU A 191 ? 0.2775 0.3873 0.4455 0.0025 -0.0010 -0.0197 883 LEU A N \n1442 C CA . LEU A 191 ? 0.2827 0.4014 0.4599 0.0024 0.0000 -0.0209 883 LEU A CA \n1443 C C . LEU A 191 ? 0.3034 0.4277 0.4818 0.0023 0.0053 -0.0228 883 LEU A C \n1444 O O . LEU A 191 ? 0.2609 0.3916 0.4430 0.0000 0.0077 -0.0227 883 LEU A O \n1445 C CB . LEU A 191 ? 0.2667 0.3873 0.4516 0.0057 -0.0030 -0.0222 883 LEU A CB \n1446 C CG . LEU A 191 ? 0.2574 0.3879 0.4540 0.0058 -0.0027 -0.0231 883 LEU A CG \n1447 C CD1 . LEU A 191 ? 0.3202 0.4530 0.5173 0.0014 -0.0034 -0.0207 883 LEU A CD1 \n1448 C CD2 . LEU A 191 ? 0.2599 0.3904 0.4634 0.0091 -0.0073 -0.0240 883 LEU A CD2 \n1449 N N . GLU A 192 ? 0.1794 0.3005 0.3538 0.0044 0.0070 -0.0244 884 GLU A N \n1450 C CA . GLU A 192 ? 0.1909 0.3153 0.3643 0.0043 0.0118 -0.0263 884 GLU A CA \n1451 C C . GLU A 192 ? 0.2346 0.3580 0.4015 0.0001 0.0141 -0.0247 884 GLU A C \n1452 O O . GLU A 192 ? 0.2105 0.3377 0.3770 -0.0012 0.0181 -0.0258 884 GLU A O \n1453 C CB . GLU A 192 ? 0.2434 0.3636 0.4134 0.0075 0.0123 -0.0283 884 GLU A CB \n1454 C CG . GLU A 192 ? 0.2629 0.3745 0.4240 0.0066 0.0106 -0.0268 884 GLU A CG \n1455 C CD . GLU A 192 ? 0.2790 0.3854 0.4393 0.0076 0.0063 -0.0252 884 GLU A CD \n1456 O OE1 . GLU A 192 ? 0.2264 0.3342 0.3916 0.0085 0.0037 -0.0249 884 GLU A OE1 \n1457 O OE2 . GLU A 192 ? 0.2177 0.3181 0.3721 0.0071 0.0053 -0.0241 884 GLU A OE2 \n1458 N N . SER A 193 ? 0.2973 0.4149 0.4585 -0.0017 0.0115 -0.0222 885 SER A N \n1459 C CA . SER A 193 ? 0.2356 0.3513 0.3905 -0.0054 0.0127 -0.0206 885 SER A CA \n1460 C C . SER A 193 ? 0.2550 0.3762 0.4139 -0.0086 0.0131 -0.0195 885 SER A C \n1461 O O . SER A 193 ? 0.2761 0.3991 0.4325 -0.0117 0.0158 -0.0192 885 SER A O \n1462 C CB . SER A 193 ? 0.2489 0.3569 0.3974 -0.0059 0.0098 -0.0185 885 SER A CB \n1463 O OG . SER A 193 ? 0.2896 0.3934 0.4354 -0.0034 0.0093 -0.0192 885 SER A OG \n1464 N N . ILE A 194 ? 0.2248 0.3478 0.3894 -0.0081 0.0101 -0.0187 886 ILE A N \n1465 C CA . ILE A 194 ? 0.2811 0.4095 0.4510 -0.0111 0.0095 -0.0174 886 ILE A CA \n1466 C C . ILE A 194 ? 0.2770 0.4151 0.4545 -0.0114 0.0138 -0.0193 886 ILE A C \n1467 O O . ILE A 194 ? 0.3094 0.4513 0.4867 -0.0153 0.0163 -0.0184 886 ILE A O \n1468 C CB . ILE A 194 ? 0.3578 0.4856 0.5325 -0.0101 0.0046 -0.0164 886 ILE A CB \n1469 C CG1 . ILE A 194 ? 0.3072 0.4248 0.4729 -0.0103 0.0011 -0.0145 886 ILE A CG1 \n1470 C CG2 . ILE A 194 ? 0.3112 0.4454 0.4928 -0.0134 0.0036 -0.0151 886 ILE A CG2 \n1471 C CD1 . ILE A 194 ? 0.2950 0.4095 0.4629 -0.0089 -0.0037 -0.0136 886 ILE A CD1 \n1472 N N . LEU A 195 ? 0.2906 0.4324 0.4742 -0.0073 0.0151 -0.0219 887 LEU A N \n1473 C CA . LEU A 195 ? 0.3182 0.4701 0.5106 -0.0067 0.0194 -0.0241 887 LEU A CA \n1474 C C . LEU A 195 ? 0.3433 0.4957 0.5302 -0.0074 0.0253 -0.0257 887 LEU A C \n1475 O O . LEU A 195 ? 0.2164 0.3764 0.4078 -0.0093 0.0296 -0.0264 887 LEU A O \n1476 C CB . LEU A 195 ? 0.2674 0.4231 0.4692 -0.0015 0.0182 -0.0264 887 LEU A CB \n1477 C CG . LEU A 195 ? 0.3812 0.5361 0.5887 -0.0007 0.0120 -0.0249 887 LEU A CG \n1478 C CD1 . LEU A 195 ? 0.3693 0.5250 0.5834 0.0046 0.0099 -0.0273 887 LEU A CD1 \n1479 C CD2 . LEU A 195 ? 0.3279 0.4907 0.5440 -0.0042 0.0111 -0.0232 887 LEU A CD2 \n1480 N N . HIS A 196 ? 0.2235 0.3676 0.4005 -0.0064 0.0253 -0.0262 888 HIS A N \n1481 C CA . HIS A 196 ? 0.2116 0.3547 0.3828 -0.0065 0.0302 -0.0281 888 HIS A CA \n1482 C C . HIS A 196 ? 0.2601 0.3939 0.4187 -0.0088 0.0296 -0.0268 888 HIS A C \n1483 O O . HIS A 196 ? 0.2582 0.3890 0.4104 -0.0086 0.0325 -0.0283 888 HIS A O \n1484 C CB . HIS A 196 ? 0.2642 0.4072 0.4376 -0.0011 0.0313 -0.0314 888 HIS A CB \n1485 C CG . HIS A 196 ? 0.2815 0.4343 0.4675 0.0016 0.0330 -0.0335 888 HIS A CG \n1486 N ND1 . HIS A 196 ? 0.3202 0.4817 0.5112 0.0006 0.0388 -0.0350 888 HIS A ND1 \n1487 C CD2 . HIS A 196 ? 0.2806 0.4359 0.4755 0.0053 0.0295 -0.0342 888 HIS A CD2 \n1488 C CE1 . HIS A 196 ? 0.3149 0.4847 0.5185 0.0040 0.0389 -0.0366 888 HIS A CE1 \n1489 N NE2 . HIS A 196 ? 0.3203 0.4861 0.5262 0.0069 0.0329 -0.0362 888 HIS A NE2 \n1490 N N . ARG A 197 ? 0.2220 0.3511 0.3772 -0.0107 0.0255 -0.0240 889 ARG A N \n1491 C CA . ARG A 197 ? 0.3218 0.4424 0.4663 -0.0128 0.0242 -0.0225 889 ARG A CA \n1492 C C . ARG A 197 ? 0.2542 0.3690 0.3942 -0.0097 0.0237 -0.0239 889 ARG A C \n1493 O O . ARG A 197 ? 0.2898 0.3990 0.4216 -0.0111 0.0242 -0.0238 889 ARG A O \n1494 C CB . ARG A 197 ? 0.3107 0.4315 0.4495 -0.0173 0.0274 -0.0220 889 ARG A CB \n1495 C CG . ARG A 197 ? 0.3310 0.4577 0.4744 -0.0210 0.0279 -0.0203 889 ARG A CG \n1496 C CD . ARG A 197 ? 0.4083 0.5334 0.5441 -0.0261 0.0306 -0.0194 889 ARG A CD \n1497 N NE . ARG A 197 ? 0.3870 0.5168 0.5263 -0.0304 0.0304 -0.0173 889 ARG A NE \n1498 C CZ . ARG A 197 ? 0.5005 0.6383 0.6441 -0.0335 0.0349 -0.0176 889 ARG A CZ \n1499 N NH1 . ARG A 197 ? 0.3863 0.5280 0.5305 -0.0324 0.0405 -0.0201 889 ARG A NH1 \n1500 N NH2 . ARG A 197 ? 0.4104 0.5519 0.5573 -0.0378 0.0339 -0.0152 889 ARG A NH2 \n1501 N N . ILE A 198 ? 0.2439 0.3596 0.3892 -0.0058 0.0222 -0.0252 890 ILE A N \n1502 C CA . ILE A 198 ? 0.2918 0.4016 0.4333 -0.0030 0.0209 -0.0262 890 ILE A CA \n1503 C C . ILE A 198 ? 0.2535 0.3579 0.3926 -0.0031 0.0168 -0.0239 890 ILE A C \n1504 O O . ILE A 198 ? 0.2518 0.3573 0.3951 -0.0024 0.0145 -0.0228 890 ILE A O \n1505 C CB . ILE A 198 ? 0.2880 0.4004 0.4356 0.0012 0.0209 -0.0286 890 ILE A CB \n1506 C CG1 . ILE A 198 ? 0.3485 0.4661 0.4983 0.0021 0.0256 -0.0314 890 ILE A CG1 \n1507 C CG2 . ILE A 198 ? 0.2516 0.3569 0.3949 0.0035 0.0185 -0.0291 890 ILE A CG2 \n1508 C CD1 . ILE A 198 ? 0.2529 0.3755 0.4117 0.0063 0.0257 -0.0338 890 ILE A CD1 \n1509 N N . TYR A 199 ? 0.2700 0.3684 0.4023 -0.0039 0.0159 -0.0232 891 TYR A N \n1510 C CA . TYR A 199 ? 0.3025 0.3962 0.4329 -0.0037 0.0127 -0.0212 891 TYR A CA \n1511 C C . TYR A 199 ? 0.2632 0.3523 0.3910 -0.0022 0.0116 -0.0217 891 TYR A C \n1512 O O . TYR A 199 ? 0.3002 0.3866 0.4231 -0.0030 0.0124 -0.0225 891 TYR A O \n1513 C CB . TYR A 199 ? 0.3225 0.4135 0.4479 -0.0066 0.0122 -0.0193 891 TYR A CB \n1514 C CG . TYR A 199 ? 0.3393 0.4329 0.4660 -0.0087 0.0122 -0.0181 891 TYR A CG \n1515 C CD1 . TYR A 199 ? 0.3133 0.4057 0.4414 -0.0082 0.0099 -0.0165 891 TYR A CD1 \n1516 C CD2 . TYR A 199 ? 0.3412 0.4380 0.4671 -0.0114 0.0146 -0.0185 891 TYR A CD2 \n1517 C CE1 . TYR A 199 ? 0.4019 0.4955 0.5302 -0.0103 0.0093 -0.0153 891 TYR A CE1 \n1518 C CE2 . TYR A 199 ? 0.3614 0.4602 0.4883 -0.0138 0.0142 -0.0170 891 TYR A CE2 \n1519 C CZ . TYR A 199 ? 0.3740 0.4710 0.5020 -0.0132 0.0112 -0.0154 891 TYR A CZ \n1520 O OH . TYR A 199 ? 0.4616 0.5594 0.5897 -0.0157 0.0102 -0.0139 891 TYR A OH \n1521 N N . THR A 200 ? 0.2709 0.3588 0.4014 -0.0002 0.0095 -0.0213 892 THR A N \n1522 C CA . THR A 200 ? 0.2838 0.3673 0.4125 0.0008 0.0078 -0.0214 892 THR A CA \n1523 C C . THR A 200 ? 0.2458 0.3276 0.3758 0.0009 0.0057 -0.0193 892 THR A C \n1524 O O . THR A 200 ? 0.2389 0.3221 0.3704 0.0005 0.0056 -0.0181 892 THR A O \n1525 C CB . THR A 200 ? 0.2441 0.3279 0.3752 0.0035 0.0077 -0.0235 892 THR A CB \n1526 O OG1 . THR A 200 ? 0.2600 0.3458 0.3958 0.0048 0.0064 -0.0230 892 THR A OG1 \n1527 C CG2 . THR A 200 ? 0.3017 0.3885 0.4328 0.0041 0.0107 -0.0261 892 THR A CG2 \n1528 N N . HIS A 201 ? 0.2657 0.3440 0.3949 0.0014 0.0040 -0.0187 893 HIS A N \n1529 C CA . HIS A 201 ? 0.3067 0.3839 0.4376 0.0015 0.0026 -0.0168 893 HIS A CA \n1530 C C . HIS A 201 ? 0.2350 0.3129 0.3684 0.0028 0.0022 -0.0169 893 HIS A C \n1531 O O . HIS A 201 ? 0.2163 0.2936 0.3500 0.0026 0.0019 -0.0153 893 HIS A O \n1532 C CB . HIS A 201 ? 0.2608 0.3348 0.3910 0.0011 0.0009 -0.0159 893 HIS A CB \n1533 C CG . HIS A 201 ? 0.2817 0.3544 0.4095 -0.0002 0.0006 -0.0155 893 HIS A CG \n1534 N ND1 . HIS A 201 ? 0.2949 0.3683 0.4230 -0.0011 0.0007 -0.0140 893 HIS A ND1 \n1535 C CD2 . HIS A 201 ? 0.3002 0.3703 0.4247 -0.0008 0.0000 -0.0166 893 HIS A CD2 \n1536 C CE1 . HIS A 201 ? 0.2813 0.3526 0.4066 -0.0023 -0.0001 -0.0140 893 HIS A CE1 \n1537 N NE2 . HIS A 201 ? 0.3474 0.4165 0.4702 -0.0023 -0.0007 -0.0154 893 HIS A NE2 \n1538 N N . GLN A 202 ? 0.2662 0.3453 0.4011 0.0043 0.0022 -0.0189 894 GLN A N \n1539 C CA . GLN A 202 ? 0.3008 0.3805 0.4384 0.0057 0.0011 -0.0192 894 GLN A CA \n1540 C C . GLN A 202 ? 0.2660 0.3491 0.4055 0.0052 0.0018 -0.0189 894 GLN A C \n1541 O O . GLN A 202 ? 0.2166 0.2987 0.3572 0.0056 0.0002 -0.0182 894 GLN A O \n1542 C CB . GLN A 202 ? 0.2712 0.3506 0.4104 0.0080 0.0003 -0.0216 894 GLN A CB \n1543 C CG . GLN A 202 ? 0.2451 0.3195 0.3817 0.0084 -0.0013 -0.0216 894 GLN A CG \n1544 C CD . GLN A 202 ? 0.3119 0.3828 0.4476 0.0074 -0.0032 -0.0192 894 GLN A CD \n1545 O OE1 . GLN A 202 ? 0.2739 0.3437 0.4081 0.0056 -0.0030 -0.0173 894 GLN A OE1 \n1546 N NE2 . GLN A 202 ? 0.2825 0.3516 0.4191 0.0085 -0.0052 -0.0192 894 GLN A NE2 \n1547 N N . SER A 203 ? 0.2305 0.3167 0.3698 0.0039 0.0037 -0.0193 895 SER A N \n1548 C CA . SER A 203 ? 0.2693 0.3576 0.4093 0.0026 0.0039 -0.0183 895 SER A CA \n1549 C C . SER A 203 ? 0.2776 0.3623 0.4141 0.0014 0.0032 -0.0160 895 SER A C \n1550 O O . SER A 203 ? 0.2485 0.3325 0.3848 0.0011 0.0022 -0.0150 895 SER A O \n1551 C CB . SER A 203 ? 0.3224 0.4150 0.4630 0.0011 0.0061 -0.0191 895 SER A CB \n1552 O OG . SER A 203 ? 0.2522 0.3429 0.3883 -0.0004 0.0073 -0.0187 895 SER A OG \n1553 N N . ASP A 204 ? 0.2664 0.3487 0.4003 0.0011 0.0036 -0.0152 896 ASP A N \n1554 C CA . ASP A 204 ? 0.2404 0.3196 0.3717 0.0007 0.0033 -0.0133 896 ASP A CA \n1555 C C . ASP A 204 ? 0.1875 0.2642 0.3189 0.0016 0.0023 -0.0125 896 ASP A C \n1556 O O . ASP A 204 ? 0.2167 0.2909 0.3457 0.0014 0.0022 -0.0113 896 ASP A O \n1557 C CB . ASP A 204 ? 0.2905 0.3686 0.4209 0.0004 0.0037 -0.0127 896 ASP A CB \n1558 C CG . ASP A 204 ? 0.3267 0.4052 0.4550 -0.0008 0.0042 -0.0128 896 ASP A CG \n1559 O OD1 . ASP A 204 ? 0.2851 0.3625 0.4128 -0.0011 0.0038 -0.0125 896 ASP A OD1 \n1560 O OD2 . ASP A 204 ? 0.2647 0.3443 0.3917 -0.0019 0.0046 -0.0130 896 ASP A OD2 \n1561 N N . VAL A 205 ? 0.1864 0.2627 0.3196 0.0026 0.0014 -0.0133 897 VAL A N \n1562 C CA . VAL A 205 ? 0.1757 0.2486 0.3080 0.0032 0.0000 -0.0126 897 VAL A CA \n1563 C C . VAL A 205 ? 0.2591 0.3309 0.3907 0.0033 -0.0012 -0.0124 897 VAL A C \n1564 O O . VAL A 205 ? 0.2232 0.2909 0.3514 0.0030 -0.0018 -0.0110 897 VAL A O \n1565 C CB . VAL A 205 ? 0.1789 0.2506 0.3127 0.0042 -0.0015 -0.0136 897 VAL A CB \n1566 C CG1 . VAL A 205 ? 0.1852 0.2526 0.3174 0.0046 -0.0035 -0.0129 897 VAL A CG1 \n1567 C CG2 . VAL A 205 ? 0.2414 0.3121 0.3747 0.0035 -0.0009 -0.0130 897 VAL A CG2 \n1568 N N . TRP A 206 ? 0.1984 0.2739 0.3332 0.0035 -0.0017 -0.0137 898 TRP A N \n1569 C CA . TRP A 206 ? 0.2443 0.3194 0.3794 0.0032 -0.0035 -0.0133 898 TRP A CA \n1570 C C . TRP A 206 ? 0.2272 0.2994 0.3576 0.0018 -0.0030 -0.0116 898 TRP A C \n1571 O O . TRP A 206 ? 0.2115 0.2788 0.3382 0.0016 -0.0047 -0.0105 898 TRP A O \n1572 C CB . TRP A 206 ? 0.2139 0.2952 0.3546 0.0033 -0.0034 -0.0149 898 TRP A CB \n1573 C CG . TRP A 206 ? 0.1837 0.2658 0.3263 0.0026 -0.0056 -0.0144 898 TRP A CG \n1574 C CD1 . TRP A 206 ? 0.2347 0.3144 0.3738 0.0008 -0.0064 -0.0128 898 TRP A CD1 \n1575 C CD2 . TRP A 206 ? 0.2264 0.3119 0.3755 0.0038 -0.0078 -0.0156 898 TRP A CD2 \n1576 N NE1 . TRP A 206 ? 0.2215 0.3027 0.3644 0.0004 -0.0093 -0.0127 898 TRP A NE1 \n1577 C CE2 . TRP A 206 ? 0.2218 0.3071 0.3715 0.0023 -0.0101 -0.0144 898 TRP A CE2 \n1578 C CE3 . TRP A 206 ? 0.2560 0.3445 0.4105 0.0062 -0.0082 -0.0176 898 TRP A CE3 \n1579 C CZ2 . TRP A 206 ? 0.2724 0.3612 0.4291 0.0030 -0.0130 -0.0150 898 TRP A CZ2 \n1580 C CZ3 . TRP A 206 ? 0.2655 0.3578 0.4272 0.0073 -0.0107 -0.0185 898 TRP A CZ3 \n1581 C CH2 . TRP A 206 ? 0.2477 0.3402 0.4107 0.0056 -0.0131 -0.0171 898 TRP A CH2 \n1582 N N . SER A 207 ? 0.2085 0.2825 0.3379 0.0009 -0.0009 -0.0115 899 SER A N \n1583 C CA . SER A 207 ? 0.2061 0.2771 0.3308 0.0000 -0.0005 -0.0102 899 SER A CA \n1584 C C . SER A 207 ? 0.2428 0.3088 0.3633 0.0007 0.0001 -0.0090 899 SER A C \n1585 O O . SER A 207 ? 0.2326 0.2940 0.3480 0.0005 0.0000 -0.0080 899 SER A O \n1586 C CB . SER A 207 ? 0.2226 0.2961 0.3471 -0.0009 0.0010 -0.0103 899 SER A CB \n1587 O OG . SER A 207 ? 0.3026 0.3809 0.4306 -0.0019 0.0010 -0.0114 899 SER A OG \n1588 N N . TYR A 208 ? 0.2420 0.3087 0.3642 0.0014 0.0011 -0.0091 900 TYR A N \n1589 C CA . TYR A 208 ? 0.2237 0.2863 0.3428 0.0018 0.0022 -0.0079 900 TYR A CA \n1590 C C . TYR A 208 ? 0.2569 0.3143 0.3721 0.0018 0.0005 -0.0074 900 TYR A C \n1591 O O . TYR A 208 ? 0.2346 0.2873 0.3444 0.0017 0.0016 -0.0063 900 TYR A O \n1592 C CB . TYR A 208 ? 0.2786 0.3430 0.4007 0.0019 0.0030 -0.0080 900 TYR A CB \n1593 C CG . TYR A 208 ? 0.2518 0.3129 0.3715 0.0018 0.0045 -0.0065 900 TYR A CG \n1594 C CD1 . TYR A 208 ? 0.2530 0.3102 0.3705 0.0015 0.0032 -0.0060 900 TYR A CD1 \n1595 C CD2 . TYR A 208 ? 0.3118 0.3738 0.4316 0.0019 0.0072 -0.0056 900 TYR A CD2 \n1596 C CE1 . TYR A 208 ? 0.3283 0.3825 0.4431 0.0008 0.0050 -0.0045 900 TYR A CE1 \n1597 C CE2 . TYR A 208 ? 0.2675 0.3274 0.3859 0.0016 0.0093 -0.0042 900 TYR A CE2 \n1598 C CZ . TYR A 208 ? 0.3254 0.3813 0.4408 0.0008 0.0084 -0.0036 900 TYR A CZ \n1599 O OH . TYR A 208 ? 0.3145 0.3683 0.4279 0.0000 0.0108 -0.0021 900 TYR A OH \n1600 N N . GLY A 209 ? 0.2667 0.3246 0.3842 0.0019 -0.0021 -0.0082 901 GLY A N \n1601 C CA . GLY A 209 ? 0.2484 0.3005 0.3621 0.0018 -0.0047 -0.0076 901 GLY A CA \n1602 C C . GLY A 209 ? 0.2556 0.3041 0.3645 0.0012 -0.0055 -0.0068 901 GLY A C \n1603 O O . GLY A 209 ? 0.2543 0.2957 0.3565 0.0009 -0.0063 -0.0058 901 GLY A O \n1604 N N . VAL A 210 ? 0.2625 0.3151 0.3742 0.0007 -0.0057 -0.0073 902 VAL A N \n1605 C CA . VAL A 210 ? 0.2244 0.2733 0.3314 -0.0001 -0.0071 -0.0066 902 VAL A CA \n1606 C C . VAL A 210 ? 0.2572 0.3008 0.3569 0.0002 -0.0044 -0.0057 902 VAL A C \n1607 O O . VAL A 210 ? 0.2896 0.3259 0.3819 0.0000 -0.0053 -0.0048 902 VAL A O \n1608 C CB . VAL A 210 ? 0.2599 0.3144 0.3714 -0.0012 -0.0077 -0.0071 902 VAL A CB \n1609 C CG1 . VAL A 210 ? 0.2876 0.3371 0.3938 -0.0026 -0.0101 -0.0060 902 VAL A CG1 \n1610 C CG2 . VAL A 210 ? 0.2210 0.2817 0.3407 -0.0011 -0.0094 -0.0082 902 VAL A CG2 \n1611 N N . THR A 211 ? 0.2530 0.3003 0.3550 0.0008 -0.0012 -0.0059 903 THR A N \n1612 C CA . THR A 211 ? 0.2645 0.3083 0.3615 0.0017 0.0017 -0.0053 903 THR A CA \n1613 C C . THR A 211 ? 0.2164 0.2538 0.3074 0.0021 0.0028 -0.0045 903 THR A C \n1614 O O . THR A 211 ? 0.2578 0.2885 0.3411 0.0025 0.0037 -0.0039 903 THR A O \n1615 C CB . THR A 211 ? 0.2349 0.2845 0.3372 0.0024 0.0044 -0.0057 903 THR A CB \n1616 O OG1 . THR A 211 ? 0.2518 0.3059 0.3578 0.0017 0.0033 -0.0064 903 THR A OG1 \n1617 C CG2 . THR A 211 ? 0.2580 0.3053 0.3570 0.0038 0.0075 -0.0052 903 THR A CG2 \n1618 N N . VAL A 212 ? 0.2426 0.2813 0.3365 0.0018 0.0028 -0.0044 904 VAL A N \n1619 C CA . VAL A 212 ? 0.2678 0.3003 0.3557 0.0016 0.0037 -0.0034 904 VAL A CA \n1620 C C . VAL A 212 ? 0.3394 0.3633 0.4191 0.0010 0.0007 -0.0030 904 VAL A C \n1621 O O . VAL A 212 ? 0.2939 0.3104 0.3649 0.0010 0.0023 -0.0022 904 VAL A O \n1622 C CB . VAL A 212 ? 0.2888 0.3234 0.3808 0.0010 0.0030 -0.0034 904 VAL A CB \n1623 C CG1 . VAL A 212 ? 0.3699 0.3967 0.4545 0.0001 0.0031 -0.0022 904 VAL A CG1 \n1624 C CG2 . VAL A 212 ? 0.3306 0.3718 0.4290 0.0012 0.0060 -0.0034 904 VAL A CG2 \n1625 N N . TRP A 213 ? 0.2856 0.3104 0.3680 0.0005 -0.0037 -0.0035 905 TRP A N \n1626 C CA . TRP A 213 ? 0.2986 0.3156 0.3743 -0.0002 -0.0075 -0.0029 905 TRP A CA \n1627 C C . TRP A 213 ? 0.2931 0.3046 0.3609 0.0000 -0.0063 -0.0025 905 TRP A C \n1628 O O . TRP A 213 ? 0.3043 0.3058 0.3618 -0.0003 -0.0071 -0.0018 905 TRP A O \n1629 C CB . TRP A 213 ? 0.3086 0.3302 0.3915 -0.0007 -0.0122 -0.0035 905 TRP A CB \n1630 C CG . TRP A 213 ? 0.3462 0.3602 0.4237 -0.0018 -0.0174 -0.0028 905 TRP A CG \n1631 C CD1 . TRP A 213 ? 0.3501 0.3587 0.4256 -0.0022 -0.0216 -0.0024 905 TRP A CD1 \n1632 C CD2 . TRP A 213 ? 0.3405 0.3508 0.4139 -0.0028 -0.0198 -0.0022 905 TRP A CD2 \n1633 N NE1 . TRP A 213 ? 0.3245 0.3263 0.3950 -0.0033 -0.0264 -0.0015 905 TRP A NE1 \n1634 C CE2 . TRP A 213 ? 0.3770 0.3799 0.4463 -0.0038 -0.0254 -0.0014 905 TRP A CE2 \n1635 C CE3 . TRP A 213 ? 0.3516 0.3636 0.4242 -0.0031 -0.0182 -0.0022 905 TRP A CE3 \n1636 C CZ2 . TRP A 213 ? 0.3816 0.3788 0.4460 -0.0053 -0.0295 -0.0005 905 TRP A CZ2 \n1637 C CZ3 . TRP A 213 ? 0.3452 0.3513 0.4125 -0.0045 -0.0221 -0.0014 905 TRP A CZ3 \n1638 C CH2 . TRP A 213 ? 0.3738 0.3728 0.4373 -0.0057 -0.0277 -0.0005 905 TRP A CH2 \n1639 N N . GLU A 214 ? 0.2689 0.2858 0.3406 0.0004 -0.0046 -0.0030 906 GLU A N \n1640 C CA . GLU A 214 ? 0.3126 0.3240 0.3769 0.0009 -0.0037 -0.0028 906 GLU A CA \n1641 C C . GLU A 214 ? 0.3525 0.3579 0.4089 0.0023 0.0005 -0.0026 906 GLU A C \n1642 O O . GLU A 214 ? 0.3749 0.3710 0.4210 0.0027 0.0005 -0.0022 906 GLU A O \n1643 C CB . GLU A 214 ? 0.3406 0.3589 0.4104 0.0014 -0.0021 -0.0035 906 GLU A CB \n1644 C CG . GLU A 214 ? 0.3056 0.3293 0.3816 -0.0001 -0.0055 -0.0037 906 GLU A CG \n1645 C CD . GLU A 214 ? 0.2970 0.3255 0.3762 0.0000 -0.0038 -0.0042 906 GLU A CD \n1646 O OE1 . GLU A 214 ? 0.3344 0.3583 0.4081 -0.0002 -0.0050 -0.0039 906 GLU A OE1 \n1647 O OE2 . GLU A 214 ? 0.3234 0.3593 0.4098 0.0004 -0.0018 -0.0048 906 GLU A OE2 \n1648 N N . LEU A 215 ? 0.3417 0.3524 0.4031 0.0030 0.0044 -0.0027 907 LEU A N \n1649 C CA . LEU A 215 ? 0.3738 0.3807 0.4296 0.0042 0.0094 -0.0023 907 LEU A CA \n1650 C C . LEU A 215 ? 0.3713 0.3676 0.4163 0.0032 0.0087 -0.0015 907 LEU A C \n1651 O O . LEU A 215 ? 0.3895 0.3773 0.4240 0.0041 0.0110 -0.0013 907 LEU A O \n1652 C CB . LEU A 215 ? 0.3539 0.3695 0.4188 0.0045 0.0130 -0.0023 907 LEU A CB \n1653 C CG . LEU A 215 ? 0.3402 0.3647 0.4141 0.0056 0.0141 -0.0030 907 LEU A CG \n1654 C CD1 . LEU A 215 ? 0.3761 0.4074 0.4573 0.0058 0.0176 -0.0027 907 LEU A CD1 \n1655 C CD2 . LEU A 215 ? 0.3543 0.3759 0.4240 0.0076 0.0155 -0.0035 907 LEU A CD2 \n1656 N N . MET A 216 ? 0.4067 0.4030 0.4538 0.0015 0.0053 -0.0010 908 MET A N \n1657 C CA . MET A 216 ? 0.4104 0.3966 0.4477 0.0002 0.0039 -0.0001 908 MET A CA \n1658 C C . MET A 216 ? 0.4198 0.3949 0.4463 -0.0003 -0.0003 0.0001 908 MET A C \n1659 O O . MET A 216 ? 0.4184 0.3826 0.4337 -0.0013 -0.0011 0.0009 908 MET A O \n1660 C CB . MET A 216 ? 0.3638 0.3527 0.4068 -0.0011 0.0004 0.0001 908 MET A CB \n1661 C CG . MET A 216 ? 0.3814 0.3793 0.4335 -0.0011 0.0037 0.0000 908 MET A CG \n1662 S SD . MET A 216 ? 0.4694 0.4642 0.5153 -0.0015 0.0107 0.0012 908 MET A SD \n1663 C CE . MET A 216 ? 0.4280 0.4357 0.4878 -0.0014 0.0135 0.0011 908 MET A CE \n1664 N N . THR A 217 ? 0.4389 0.4162 0.4685 0.0000 -0.0035 -0.0003 909 THR A N \n1665 C CA . THR A 217 ? 0.4027 0.3697 0.4226 -0.0008 -0.0081 0.0000 909 THR A CA \n1666 C C . THR A 217 ? 0.4574 0.4193 0.4692 0.0007 -0.0048 -0.0003 909 THR A C \n1667 O O . THR A 217 ? 0.4372 0.3901 0.4403 0.0003 -0.0083 0.0000 909 THR A O \n1668 C CB . THR A 217 ? 0.3820 0.3542 0.4101 -0.0019 -0.0141 0.0000 909 THR A CB \n1669 O OG1 . THR A 217 ? 0.4039 0.3859 0.4407 -0.0011 -0.0119 -0.0007 909 THR A OG1 \n1670 C CG2 . THR A 217 ? 0.4312 0.4083 0.4678 -0.0030 -0.0179 0.0001 909 THR A CG2 \n1671 N N . PHE A 218 ? 0.4201 0.3877 0.4353 0.0027 0.0015 -0.0009 910 PHE A N \n1672 C CA . PHE A 218 ? 0.5089 0.4731 0.5182 0.0050 0.0051 -0.0017 910 PHE A CA \n1673 C C . PHE A 218 ? 0.4800 0.4459 0.4920 0.0049 0.0011 -0.0020 910 PHE A C \n1674 O O . PHE A 218 ? 0.4512 0.4083 0.4535 0.0058 0.0002 -0.0022 910 PHE A O \n1675 C CB . PHE A 218 ? 0.5081 0.4577 0.5008 0.0055 0.0068 -0.0014 910 PHE A CB \n1676 C CG . PHE A 218 ? 0.4744 0.4225 0.4641 0.0051 0.0112 -0.0009 910 PHE A CG \n1677 C CD1 . PHE A 218 ? 0.5609 0.5151 0.5545 0.0069 0.0188 -0.0014 910 PHE A CD1 \n1678 C CD2 . PHE A 218 ? 0.5242 0.4647 0.5075 0.0025 0.0075 0.0001 910 PHE A CD2 \n1679 C CE1 . PHE A 218 ? 0.5072 0.4603 0.4983 0.0059 0.0230 -0.0006 910 PHE A CE1 \n1680 C CE2 . PHE A 218 ? 0.5194 0.4576 0.4989 0.0016 0.0114 0.0008 910 PHE A CE2 \n1681 C CZ . PHE A 218 ? 0.5210 0.4657 0.5043 0.0031 0.0194 0.0005 910 PHE A CZ \n1682 N N . GLY A 219 ? 0.3825 0.3592 0.4070 0.0038 -0.0010 -0.0021 911 GLY A N \n1683 C CA . GLY A 219 ? 0.3826 0.3628 0.4111 0.0033 -0.0037 -0.0023 911 GLY A CA \n1684 C C . GLY A 219 ? 0.3959 0.3723 0.4225 0.0007 -0.0104 -0.0015 911 GLY A C \n1685 O O . GLY A 219 ? 0.3953 0.3699 0.4200 0.0001 -0.0128 -0.0014 911 GLY A O \n1686 N N . SER A 220 ? 0.4351 0.4103 0.4626 -0.0009 -0.0138 -0.0008 912 SER A N \n1687 C CA . SER A 220 ? 0.4092 0.3841 0.4392 -0.0036 -0.0204 0.0000 912 SER A CA \n1688 C C . SER A 220 ? 0.3741 0.3617 0.4173 -0.0046 -0.0210 -0.0003 912 SER A C \n1689 O O . SER A 220 ? 0.3525 0.3497 0.4044 -0.0036 -0.0173 -0.0012 912 SER A O \n1690 C CB . SER A 220 ? 0.4691 0.4409 0.4990 -0.0047 -0.0242 0.0006 912 SER A CB \n1691 O OG . SER A 220 ? 0.4822 0.4405 0.4979 -0.0044 -0.0243 0.0011 912 SER A OG \n1692 N N . LYS A 221 ? 0.4242 0.4114 0.4685 -0.0071 -0.0260 0.0004 913 LYS A N \n1693 C CA . LYS A 221 ? 0.4383 0.4369 0.4943 -0.0088 -0.0267 0.0003 913 LYS A CA \n1694 C C . LYS A 221 ? 0.4370 0.4437 0.5039 -0.0096 -0.0287 0.0001 913 LYS A C \n1695 O O . LYS A 221 ? 0.3920 0.3943 0.4578 -0.0108 -0.0336 0.0010 913 LYS A O \n1696 C CB . LYS A 221 ? 0.4642 0.4587 0.5165 -0.0115 -0.0311 0.0015 913 LYS A CB \n1697 C CG . LYS A 221 ? 0.5168 0.5046 0.5598 -0.0107 -0.0295 0.0014 913 LYS A CG \n1698 C CD . LYS A 221 ? 0.6868 0.6690 0.7250 -0.0139 -0.0348 0.0028 913 LYS A CD \n1699 C CE . LYS A 221 ? 0.7861 0.7795 0.8356 -0.0170 -0.0358 0.0033 913 LYS A CE \n1700 N NZ . LYS A 221 ? 0.9970 0.9850 1.0419 -0.0208 -0.0412 0.0050 913 LYS A NZ \n1701 N N . PRO A 222 ? 0.4009 0.4187 0.4782 -0.0087 -0.0253 -0.0009 914 PRO A N \n1702 C CA . PRO A 222 ? 0.3311 0.3559 0.4184 -0.0087 -0.0269 -0.0014 914 PRO A CA \n1703 C C . PRO A 222 ? 0.3990 0.4284 0.4934 -0.0113 -0.0314 -0.0007 914 PRO A C \n1704 O O . PRO A 222 ? 0.3790 0.4121 0.4752 -0.0133 -0.0311 -0.0003 914 PRO A O \n1705 C CB . PRO A 222 ? 0.3862 0.4207 0.4812 -0.0073 -0.0219 -0.0028 914 PRO A CB \n1706 C CG . PRO A 222 ? 0.3979 0.4332 0.4902 -0.0078 -0.0192 -0.0028 914 PRO A CG \n1707 C CD . PRO A 222 ? 0.3830 0.4067 0.4630 -0.0076 -0.0203 -0.0018 914 PRO A CD \n1708 N N . TYR A 223 ? 0.3786 0.4078 0.4770 -0.0115 -0.0358 -0.0004 915 TYR A N \n1709 C CA . TYR A 223 ? 0.3816 0.4160 0.4884 -0.0139 -0.0404 0.0002 915 TYR A CA \n1710 C C . TYR A 223 ? 0.4591 0.4876 0.5592 -0.0170 -0.0433 0.0020 915 TYR A C \n1711 O O . TYR A 223 ? 0.5290 0.5647 0.6359 -0.0196 -0.0439 0.0025 915 TYR A O \n1712 C CB . TYR A 223 ? 0.3680 0.4170 0.4885 -0.0140 -0.0372 -0.0009 915 TYR A CB \n1713 C CG . TYR A 223 ? 0.3113 0.3658 0.4369 -0.0109 -0.0332 -0.0029 915 TYR A CG \n1714 C CD1 . TYR A 223 ? 0.3498 0.4063 0.4818 -0.0091 -0.0357 -0.0037 915 TYR A CD1 \n1715 C CD2 . TYR A 223 ? 0.3966 0.4536 0.5204 -0.0098 -0.0275 -0.0039 915 TYR A CD2 \n1716 C CE1 . TYR A 223 ? 0.3620 0.4227 0.4979 -0.0063 -0.0324 -0.0055 915 TYR A CE1 \n1717 C CE2 . TYR A 223 ? 0.3334 0.3947 0.4613 -0.0073 -0.0244 -0.0056 915 TYR A CE2 \n1718 C CZ . TYR A 223 ? 0.3187 0.3816 0.4522 -0.0056 -0.0268 -0.0064 915 TYR A CZ \n1719 O OH . TYR A 223 ? 0.3887 0.4551 0.5258 -0.0032 -0.0240 -0.0080 915 TYR A OH \n1720 N N . ASP A 224 ? 0.5151 0.5301 0.6012 -0.0168 -0.0448 0.0028 916 ASP A N \n1721 C CA . ASP A 224 ? 0.5830 0.5895 0.6598 -0.0192 -0.0478 0.0044 916 ASP A CA \n1722 C C . ASP A 224 ? 0.5812 0.5897 0.6643 -0.0227 -0.0546 0.0060 916 ASP A C \n1723 O O . ASP A 224 ? 0.5600 0.5678 0.6470 -0.0227 -0.0590 0.0064 916 ASP A O \n1724 C CB . ASP A 224 ? 0.6434 0.6340 0.7037 -0.0178 -0.0487 0.0047 916 ASP A CB \n1725 C CG . ASP A 224 ? 0.6817 0.6618 0.7302 -0.0196 -0.0511 0.0059 916 ASP A CG \n1726 O OD1 . ASP A 224 ? 0.7661 0.7321 0.8011 -0.0192 -0.0537 0.0065 916 ASP A OD1 \n1727 O OD2 . ASP A 224 ? 0.5865 0.5715 0.6381 -0.0214 -0.0504 0.0062 916 ASP A OD2 \n1728 N N . GLY A 225 ? 0.6830 0.6945 0.7678 -0.0259 -0.0555 0.0071 917 GLY A N \n1729 C CA . GLY A 225 ? 0.9298 0.9438 1.0211 -0.0300 -0.0618 0.0090 917 GLY A CA \n1730 C C . GLY A 225 ? 0.8729 0.9039 0.9827 -0.0311 -0.0605 0.0086 917 GLY A C \n1731 O O . GLY A 225 ? 0.7563 0.7930 0.8731 -0.0350 -0.0633 0.0101 917 GLY A O \n1732 N N . ILE A 226 ? 0.7571 0.7962 0.8746 -0.0276 -0.0562 0.0065 918 ILE A N \n1733 C CA . ILE A 226 ? 0.5624 0.6176 0.6970 -0.0276 -0.0538 0.0054 918 ILE A CA \n1734 C C . ILE A 226 ? 0.6378 0.7016 0.7757 -0.0295 -0.0482 0.0051 918 ILE A C \n1735 O O . ILE A 226 ? 0.6158 0.6769 0.7463 -0.0279 -0.0433 0.0040 918 ILE A O \n1736 C CB . ILE A 226 ? 0.6731 0.7322 0.8133 -0.0232 -0.0514 0.0032 918 ILE A CB \n1737 C CG1 . ILE A 226 ? 0.7936 0.8458 0.9331 -0.0223 -0.0582 0.0038 918 ILE A CG1 \n1738 C CG2 . ILE A 226 ? 0.5529 0.6280 0.7088 -0.0225 -0.0475 0.0016 918 ILE A CG2 \n1739 C CD1 . ILE A 226 ? 0.9994 1.0506 1.1395 -0.0180 -0.0567 0.0020 918 ILE A CD1 \n1740 N N . PRO A 227 ? 0.6265 0.7005 0.7753 -0.0331 -0.0490 0.0060 919 PRO A N \n1741 C CA . PRO A 227 ? 0.5769 0.6580 0.7276 -0.0355 -0.0440 0.0060 919 PRO A CA \n1742 C C . PRO A 227 ? 0.5006 0.5904 0.6568 -0.0322 -0.0369 0.0032 919 PRO A C \n1743 O O . PRO A 227 ? 0.3791 0.4759 0.5452 -0.0292 -0.0361 0.0016 919 PRO A O \n1744 C CB . PRO A 227 ? 0.5345 0.6259 0.6978 -0.0400 -0.0464 0.0076 919 PRO A CB \n1745 C CG . PRO A 227 ? 0.6697 0.7568 0.8356 -0.0403 -0.0541 0.0090 919 PRO A CG \n1746 C CD . PRO A 227 ? 0.6948 0.7748 0.8556 -0.0350 -0.0544 0.0072 919 PRO A CD \n1747 N N . ALA A 228 ? 0.4646 0.5533 0.6142 -0.0326 -0.0323 0.0028 920 ALA A N \n1748 C CA . ALA A 228 ? 0.5895 0.6847 0.7422 -0.0299 -0.0259 0.0004 920 ALA A CA \n1749 C C . ALA A 228 ? 0.5724 0.6819 0.7400 -0.0302 -0.0230 -0.0008 920 ALA A C \n1750 O O . ALA A 228 ? 0.4040 0.5184 0.5764 -0.0265 -0.0196 -0.0031 920 ALA A O \n1751 C CB . ALA A 228 ? 0.4500 0.5418 0.5939 -0.0313 -0.0225 0.0005 920 ALA A CB \n1752 N N . SER A 229 ? 0.4367 0.5529 0.6115 -0.0345 -0.0245 0.0007 921 SER A N \n1753 C CA . SER A 229 ? 0.3859 0.5166 0.5758 -0.0347 -0.0213 -0.0004 921 SER A CA \n1754 C C . SER A 229 ? 0.4132 0.5485 0.6137 -0.0305 -0.0235 -0.0019 921 SER A C \n1755 O O . SER A 229 ? 0.4524 0.5991 0.6648 -0.0288 -0.0199 -0.0038 921 SER A O \n1756 C CB . SER A 229 ? 0.4430 0.5803 0.6390 -0.0408 -0.0224 0.0019 921 SER A CB \n1757 O OG . SER A 229 ? 0.4650 0.5994 0.6640 -0.0425 -0.0297 0.0041 921 SER A OG \n1758 N N . GLU A 230 ? 0.3843 0.5101 0.5800 -0.0287 -0.0293 -0.0012 922 GLU A N \n1759 C CA . GLU A 230 ? 0.3692 0.4972 0.5734 -0.0249 -0.0326 -0.0024 922 GLU A CA \n1760 C C . GLU A 230 ? 0.3093 0.4321 0.5081 -0.0197 -0.0304 -0.0047 922 GLU A C \n1761 O O . GLU A 230 ? 0.3589 0.4832 0.5641 -0.0162 -0.0327 -0.0061 922 GLU A O \n1762 C CB . GLU A 230 ? 0.4492 0.5692 0.6514 -0.0264 -0.0410 0.0000 922 GLU A CB \n1763 C CG . GLU A 230 ? 0.6298 0.7560 0.8406 -0.0314 -0.0447 0.0023 922 GLU A CG \n1764 C CD . GLU A 230 ? 0.8229 0.9618 1.0526 -0.0303 -0.0466 0.0016 922 GLU A CD \n1765 O OE1 . GLU A 230 ? 1.0418 1.1820 1.2778 -0.0336 -0.0528 0.0039 922 GLU A OE1 \n1766 O OE2 . GLU A 230 ? 0.6964 0.8438 0.9349 -0.0262 -0.0423 -0.0012 922 GLU A OE2 \n1767 N N . ILE A 231 ? 0.3651 0.4822 0.5528 -0.0193 -0.0265 -0.0051 923 ILE A N \n1768 C CA . ILE A 231 ? 0.2896 0.4007 0.4713 -0.0150 -0.0251 -0.0068 923 ILE A CA \n1769 C C . ILE A 231 ? 0.2475 0.3669 0.4386 -0.0112 -0.0218 -0.0097 923 ILE A C \n1770 O O . ILE A 231 ? 0.3079 0.4240 0.4996 -0.0078 -0.0241 -0.0107 923 ILE A O \n1771 C CB . ILE A 231 ? 0.3691 0.4725 0.5378 -0.0153 -0.0218 -0.0065 923 ILE A CB \n1772 C CG1 . ILE A 231 ? 0.3609 0.4530 0.5184 -0.0174 -0.0259 -0.0042 923 ILE A CG1 \n1773 C CG2 . ILE A 231 ? 0.3133 0.4137 0.4786 -0.0113 -0.0194 -0.0084 923 ILE A CG2 \n1774 C CD1 . ILE A 231 ? 0.3295 0.4124 0.4823 -0.0156 -0.0307 -0.0036 923 ILE A CD1 \n1775 N N . SER A 232 ? 0.2474 0.3767 0.4447 -0.0119 -0.0165 -0.0110 924 SER A N \n1776 C CA . SER A 232 ? 0.3373 0.4737 0.5427 -0.0080 -0.0132 -0.0140 924 SER A CA \n1777 C C . SER A 232 ? 0.3233 0.4644 0.5406 -0.0054 -0.0174 -0.0148 924 SER A C \n1778 O O . SER A 232 ? 0.2494 0.3900 0.4691 -0.0011 -0.0177 -0.0169 924 SER A O \n1779 C CB . SER A 232 ? 0.3770 0.5230 0.5867 -0.0094 -0.0067 -0.0152 924 SER A CB \n1780 O OG . SER A 232 ? 0.4008 0.5566 0.6213 -0.0122 -0.0068 -0.0144 924 SER A OG \n1781 N N . SER A 233 ? 0.3645 0.5099 0.5894 -0.0081 -0.0213 -0.0130 925 SER A N \n1782 C CA . SER A 233 ? 0.3453 0.4953 0.5824 -0.0053 -0.0258 -0.0139 925 SER A CA \n1783 C C . SER A 233 ? 0.3232 0.4611 0.5533 -0.0031 -0.0322 -0.0133 925 SER A C \n1784 O O . SER A 233 ? 0.3018 0.4398 0.5371 0.0010 -0.0345 -0.0151 925 SER A O \n1785 C CB . SER A 233 ? 0.4625 0.6213 0.7116 -0.0088 -0.0286 -0.0121 925 SER A CB \n1786 O OG . SER A 233 ? 0.5599 0.7102 0.8006 -0.0131 -0.0334 -0.0088 925 SER A OG \n1787 N N . ILE A 234 ? 0.3309 0.4573 0.5478 -0.0057 -0.0348 -0.0109 926 ILE A N \n1788 C CA . ILE A 234 ? 0.4040 0.5173 0.6111 -0.0042 -0.0398 -0.0102 926 ILE A CA \n1789 C C . ILE A 234 ? 0.3330 0.4431 0.5359 -0.0001 -0.0369 -0.0124 926 ILE A C \n1790 O O . ILE A 234 ? 0.3135 0.4201 0.5182 0.0029 -0.0407 -0.0133 926 ILE A O \n1791 C CB . ILE A 234 ? 0.4687 0.5711 0.6618 -0.0078 -0.0415 -0.0074 926 ILE A CB \n1792 C CG1 . ILE A 234 ? 0.5209 0.6210 0.7167 -0.0106 -0.0488 -0.0051 926 ILE A CG1 \n1793 C CG2 . ILE A 234 ? 0.5683 0.6582 0.7473 -0.0062 -0.0414 -0.0074 926 ILE A CG2 \n1794 C CD1 . ILE A 234 ? 0.6916 0.7819 0.8747 -0.0145 -0.0505 -0.0025 926 ILE A CD1 \n1795 N N . LEU A 235 ? 0.3673 0.4783 0.5647 -0.0001 -0.0306 -0.0133 927 LEU A N \n1796 C CA . LEU A 235 ? 0.3098 0.4185 0.5038 0.0032 -0.0276 -0.0153 927 LEU A CA \n1797 C C . LEU A 235 ? 0.2829 0.3989 0.4882 0.0072 -0.0275 -0.0181 927 LEU A C \n1798 O O . LEU A 235 ? 0.3000 0.4108 0.5032 0.0103 -0.0293 -0.0193 927 LEU A O \n1799 C CB . LEU A 235 ? 0.2930 0.4030 0.4813 0.0021 -0.0212 -0.0158 927 LEU A CB \n1800 C CG . LEU A 235 ? 0.3192 0.4211 0.4957 -0.0007 -0.0210 -0.0134 927 LEU A CG \n1801 C CD1 . LEU A 235 ? 0.3372 0.4409 0.5093 -0.0016 -0.0153 -0.0139 927 LEU A CD1 \n1802 C CD2 . LEU A 235 ? 0.3026 0.3933 0.4701 0.0004 -0.0241 -0.0126 927 LEU A CD2 \n1803 N N . GLU A 236 ? 0.3537 0.4815 0.5708 0.0070 -0.0252 -0.0192 928 GLU A N \n1804 C CA . GLU A 236 ? 0.3738 0.5098 0.6029 0.0112 -0.0245 -0.0222 928 GLU A CA \n1805 C C . GLU A 236 ? 0.4014 0.5346 0.6364 0.0138 -0.0318 -0.0222 928 GLU A C \n1806 O O . GLU A 236 ? 0.3668 0.5009 0.6066 0.0183 -0.0326 -0.0247 928 GLU A O \n1807 C CB . GLU A 236 ? 0.3825 0.5325 0.6235 0.0100 -0.0200 -0.0231 928 GLU A CB \n1808 C CG . GLU A 236 ? 0.4376 0.5914 0.6746 0.0090 -0.0121 -0.0243 928 GLU A CG \n1809 C CD . GLU A 236 ? 0.7449 0.9105 0.9904 0.0059 -0.0078 -0.0240 928 GLU A CD \n1810 O OE1 . GLU A 236 ? 0.8096 0.9807 1.0555 0.0063 -0.0011 -0.0260 928 GLU A OE1 \n1811 O OE2 . GLU A 236 ? 0.6572 0.8261 0.9083 0.0027 -0.0111 -0.0218 928 GLU A OE2 \n1812 N N . LYS A 237 ? 0.3971 0.5260 0.6309 0.0110 -0.0376 -0.0195 929 LYS A N \n1813 C CA . LYS A 237 ? 0.4089 0.5329 0.6464 0.0130 -0.0457 -0.0192 929 LYS A CA \n1814 C C . LYS A 237 ? 0.4814 0.5910 0.7058 0.0144 -0.0490 -0.0189 929 LYS A C \n1815 O O . LYS A 237 ? 0.4509 0.5543 0.6760 0.0162 -0.0559 -0.0187 929 LYS A O \n1816 C CB . LYS A 237 ? 0.5132 0.6365 0.7531 0.0092 -0.0513 -0.0163 929 LYS A CB \n1817 C CG . LYS A 237 ? 0.3792 0.5176 0.6348 0.0076 -0.0496 -0.0164 929 LYS A CG \n1818 C CD . LYS A 237 ? 0.7216 0.8580 0.9785 0.0033 -0.0558 -0.0131 929 LYS A CD \n1819 C CE . LYS A 237 ? 0.8811 1.0133 1.1438 0.0052 -0.0653 -0.0126 929 LYS A CE \n1820 N NZ . LYS A 237 ? 0.8529 0.9825 1.1168 0.0007 -0.0722 -0.0093 929 LYS A NZ \n1821 N N . GLY A 238 ? 0.3690 0.4731 0.5814 0.0135 -0.0443 -0.0187 930 GLY A N \n1822 C CA . GLY A 238 ? 0.4023 0.4936 0.6022 0.0142 -0.0462 -0.0182 930 GLY A CA \n1823 C C . GLY A 238 ? 0.4049 0.4849 0.5916 0.0107 -0.0484 -0.0151 930 GLY A C \n1824 O O . GLY A 238 ? 0.4413 0.5104 0.6172 0.0108 -0.0499 -0.0144 930 GLY A O \n1825 N N . GLU A 239 ? 0.3176 0.3997 0.5045 0.0074 -0.0486 -0.0133 931 GLU A N \n1826 C CA . GLU A 239 ? 0.3345 0.4052 0.5084 0.0043 -0.0509 -0.0106 931 GLU A CA \n1827 C C . GLU A 239 ? 0.2811 0.3485 0.4443 0.0032 -0.0447 -0.0103 931 GLU A C \n1828 O O . GLU A 239 ? 0.2834 0.3590 0.4505 0.0033 -0.0390 -0.0114 931 GLU A O \n1829 C CB . GLU A 239 ? 0.3812 0.4543 0.5582 0.0011 -0.0537 -0.0088 931 GLU A CB \n1830 C CG . GLU A 239 ? 0.5529 0.6132 0.7156 -0.0018 -0.0564 -0.0062 931 GLU A CG \n1831 C CD . GLU A 239 ? 0.7991 0.8607 0.9648 -0.0051 -0.0605 -0.0043 931 GLU A CD \n1832 O OE1 . GLU A 239 ? 0.5916 0.6628 0.7715 -0.0050 -0.0632 -0.0047 931 GLU A OE1 \n1833 O OE2 . GLU A 239 ? 0.6145 0.6674 0.7686 -0.0078 -0.0609 -0.0024 931 GLU A OE2 \n1834 N N . ARG A 240 ? 0.3370 0.3922 0.4871 0.0023 -0.0458 -0.0088 932 ARG A N \n1835 C CA . ARG A 240 ? 0.2919 0.3436 0.4323 0.0017 -0.0401 -0.0085 932 ARG A CA \n1836 C C . ARG A 240 ? 0.3610 0.4019 0.4887 -0.0006 -0.0412 -0.0063 932 ARG A C \n1837 O O . ARG A 240 ? 0.3586 0.3928 0.4831 -0.0017 -0.0468 -0.0050 932 ARG A O \n1838 C CB . ARG A 240 ? 0.2782 0.3264 0.4157 0.0038 -0.0389 -0.0094 932 ARG A CB \n1839 C CG . ARG A 240 ? 0.2771 0.3344 0.4244 0.0064 -0.0365 -0.0119 932 ARG A CG \n1840 C CD . ARG A 240 ? 0.2802 0.3471 0.4322 0.0060 -0.0307 -0.0128 932 ARG A CD \n1841 N NE . ARG A 240 ? 0.2848 0.3588 0.4443 0.0085 -0.0284 -0.0153 932 ARG A NE \n1842 C CZ . ARG A 240 ? 0.4712 0.5539 0.6418 0.0102 -0.0289 -0.0170 932 ARG A CZ \n1843 N NH1 . ARG A 240 ? 0.3682 0.4558 0.5437 0.0128 -0.0263 -0.0194 932 ARG A NH1 \n1844 N NH2 . ARG A 240 ? 0.2781 0.3644 0.4549 0.0092 -0.0320 -0.0164 932 ARG A NH2 \n1845 N N . LEU A 241 ? 0.3078 0.3466 0.4280 -0.0012 -0.0361 -0.0059 933 LEU A N \n1846 C CA . LEU A 241 ? 0.2899 0.3176 0.3970 -0.0027 -0.0364 -0.0041 933 LEU A CA \n1847 C C . LEU A 241 ? 0.3058 0.3227 0.4047 -0.0023 -0.0394 -0.0034 933 LEU A C \n1848 O O . LEU A 241 ? 0.3728 0.3908 0.4740 -0.0009 -0.0387 -0.0043 933 LEU A O \n1849 C CB . LEU A 241 ? 0.3298 0.3583 0.4320 -0.0027 -0.0300 -0.0042 933 LEU A CB \n1850 C CG . LEU A 241 ? 0.3165 0.3533 0.4242 -0.0035 -0.0275 -0.0046 933 LEU A CG \n1851 C CD1 . LEU A 241 ? 0.2743 0.3138 0.3803 -0.0028 -0.0215 -0.0051 933 LEU A CD1 \n1852 C CD2 . LEU A 241 ? 0.2660 0.2977 0.3685 -0.0057 -0.0305 -0.0031 933 LEU A CD2 \n1853 N N . PRO A 242 ? 0.3400 0.3455 0.4284 -0.0038 -0.0431 -0.0019 934 PRO A N \n1854 C CA . PRO A 242 ? 0.3738 0.3673 0.4527 -0.0040 -0.0467 -0.0010 934 PRO A CA \n1855 C C . PRO A 242 ? 0.3860 0.3737 0.4550 -0.0038 -0.0414 -0.0007 934 PRO A C \n1856 O O . PRO A 242 ? 0.3631 0.3536 0.4301 -0.0037 -0.0355 -0.0008 934 PRO A O \n1857 C CB . PRO A 242 ? 0.4855 0.4687 0.5552 -0.0060 -0.0515 0.0005 934 PRO A CB \n1858 C CG . PRO A 242 ? 0.4641 0.4511 0.5333 -0.0067 -0.0477 0.0006 934 PRO A CG \n1859 C CD . PRO A 242 ? 0.4178 0.4205 0.5020 -0.0057 -0.0444 -0.0008 934 PRO A CD \n1860 N N . GLN A 243 ? 0.3725 0.3520 0.4355 -0.0039 -0.0438 -0.0002 935 GLN A N \n1861 C CA . GLN A 243 ? 0.3597 0.3326 0.4125 -0.0044 -0.0391 0.0004 935 GLN A CA \n1862 C C . GLN A 243 ? 0.4123 0.3765 0.4521 -0.0055 -0.0361 0.0014 935 GLN A C \n1863 O O . GLN A 243 ? 0.4729 0.4268 0.5038 -0.0067 -0.0406 0.0024 935 GLN A O \n1864 C CB . GLN A 243 ? 0.4106 0.3739 0.4573 -0.0050 -0.0433 0.0010 935 GLN A CB \n1865 C CG . GLN A 243 ? 0.4792 0.4350 0.5146 -0.0062 -0.0384 0.0021 935 GLN A CG \n1866 C CD . GLN A 243 ? 0.5311 0.4771 0.5601 -0.0073 -0.0429 0.0029 935 GLN A CD \n1867 O OE1 . GLN A 243 ? 0.4912 0.4363 0.5251 -0.0066 -0.0498 0.0024 935 GLN A OE1 \n1868 N NE2 . GLN A 243 ? 0.4526 0.3909 0.4705 -0.0090 -0.0389 0.0041 935 GLN A NE2 \n1869 N N . PRO A 244 ? 0.4594 0.4274 0.4979 -0.0050 -0.0287 0.0012 936 PRO A N \n1870 C CA . PRO A 244 ? 0.5057 0.4650 0.5315 -0.0055 -0.0253 0.0020 936 PRO A CA \n1871 C C . PRO A 244 ? 0.4791 0.4243 0.4903 -0.0069 -0.0259 0.0032 936 PRO A C \n1872 O O . PRO A 244 ? 0.4662 0.4112 0.4781 -0.0074 -0.0254 0.0035 936 PRO A O \n1873 C CB . PRO A 244 ? 0.4335 0.4017 0.4640 -0.0042 -0.0175 0.0013 936 PRO A CB \n1874 C CG . PRO A 244 ? 0.4068 0.3886 0.4528 -0.0033 -0.0181 0.0001 936 PRO A CG \n1875 C CD . PRO A 244 ? 0.4467 0.4272 0.4960 -0.0038 -0.0236 0.0002 936 PRO A CD \n1876 N N . PRO A 245 ? 0.5087 0.4411 0.5060 -0.0077 -0.0275 0.0040 937 PRO A N \n1877 C CA . PRO A 245 ? 0.5432 0.4601 0.5243 -0.0094 -0.0283 0.0052 937 PRO A CA \n1878 C C . PRO A 245 ? 0.5480 0.4646 0.5246 -0.0098 -0.0208 0.0056 937 PRO A C \n1879 O O . PRO A 245 ? 0.5174 0.4251 0.4857 -0.0116 -0.0221 0.0066 937 PRO A O \n1880 C CB . PRO A 245 ? 0.6300 0.5356 0.5977 -0.0096 -0.0290 0.0056 937 PRO A CB \n1881 C CG . PRO A 245 ? 0.6278 0.5407 0.6057 -0.0090 -0.0335 0.0050 937 PRO A CG \n1882 C CD . PRO A 245 ? 0.5241 0.4550 0.5202 -0.0076 -0.0303 0.0038 937 PRO A CD \n1883 N N . ILE A 246 ? 0.4624 0.3885 0.4447 -0.0082 -0.0132 0.0048 938 ILE A N \n1884 C CA . ILE A 246 ? 0.5111 0.4384 0.4909 -0.0087 -0.0057 0.0053 938 ILE A CA \n1885 C C . ILE A 246 ? 0.4991 0.4352 0.4899 -0.0094 -0.0059 0.0055 938 ILE A C \n1886 O O . ILE A 246 ? 0.5462 0.4816 0.5341 -0.0108 -0.0012 0.0064 938 ILE A O \n1887 C CB . ILE A 246 ? 0.4503 0.3843 0.4324 -0.0066 0.0023 0.0045 938 ILE A CB \n1888 C CG1 . ILE A 246 ? 0.4676 0.4175 0.4670 -0.0048 0.0028 0.0033 938 ILE A CG1 \n1889 C CG2 . ILE A 246 ? 0.4951 0.4185 0.4642 -0.0056 0.0030 0.0042 938 ILE A CG2 \n1890 C CD1 . ILE A 246 ? 0.4473 0.4052 0.4513 -0.0028 0.0106 0.0027 938 ILE A CD1 \n1891 N N . CYS A 247 ? 0.4487 0.3927 0.4517 -0.0087 -0.0111 0.0047 939 CYS A N \n1892 C CA . CYS A 247 ? 0.4063 0.3590 0.4199 -0.0088 -0.0109 0.0046 939 CYS A CA \n1893 C C . CYS A 247 ? 0.4783 0.4225 0.4869 -0.0106 -0.0163 0.0055 939 CYS A C \n1894 O O . CYS A 247 ? 0.4223 0.3602 0.4285 -0.0107 -0.0235 0.0054 939 CYS A O \n1895 C CB . CYS A 247 ? 0.4085 0.3738 0.4375 -0.0069 -0.0134 0.0030 939 CYS A CB \n1896 S SG . CYS A 247 ? 0.4672 0.4438 0.5041 -0.0049 -0.0079 0.0019 939 CYS A SG \n1897 N N . THR A 248 ? 0.4268 0.3711 0.4347 -0.0122 -0.0135 0.0064 940 THR A N \n1898 C CA . THR A 248 ? 0.4738 0.4124 0.4804 -0.0135 -0.0195 0.0069 940 THR A CA \n1899 C C . THR A 248 ? 0.4529 0.4015 0.4741 -0.0112 -0.0242 0.0052 940 THR A C \n1900 O O . THR A 248 ? 0.4292 0.3897 0.4614 -0.0092 -0.0214 0.0039 940 THR A O \n1901 C CB . THR A 248 ? 0.4720 0.4094 0.4756 -0.0160 -0.0157 0.0083 940 THR A CB \n1902 O OG1 . THR A 248 ? 0.5134 0.4647 0.5296 -0.0150 -0.0107 0.0077 940 THR A OG1 \n1903 C CG2 . THR A 248 ? 0.5448 0.4722 0.5334 -0.0186 -0.0103 0.0101 940 THR A CG2 \n1904 N N . ILE A 249 ? 0.4422 0.3856 0.4634 -0.0113 -0.0311 0.0051 941 ILE A N \n1905 C CA . ILE A 249 ? 0.4685 0.4208 0.5033 -0.0088 -0.0354 0.0033 941 ILE A CA \n1906 C C . ILE A 249 ? 0.3739 0.3375 0.4188 -0.0080 -0.0310 0.0025 941 ILE A C \n1907 O O . ILE A 249 ? 0.4088 0.3826 0.4655 -0.0055 -0.0315 0.0006 941 ILE A O \n1908 C CB . ILE A 249 ? 0.5309 0.4744 0.5633 -0.0086 -0.0441 0.0032 941 ILE A CB \n1909 C CG1 . ILE A 249 ? 0.5203 0.4730 0.5671 -0.0052 -0.0487 0.0009 941 ILE A CG1 \n1910 C CG2 . ILE A 249 ? 0.4799 0.4164 0.5060 -0.0108 -0.0446 0.0044 941 ILE A CG2 \n1911 C CD1 . ILE A 249 ? 0.5661 0.5217 0.6170 -0.0039 -0.0513 0.0002 941 ILE A CD1 \n1912 N N . ASP A 250 ? 0.4504 0.4121 0.4907 -0.0103 -0.0267 0.0039 942 ASP A N \n1913 C CA . ASP A 250 ? 0.4483 0.4198 0.4973 -0.0101 -0.0227 0.0036 942 ASP A CA \n1914 C C . ASP A 250 ? 0.4059 0.3893 0.4639 -0.0082 -0.0180 0.0024 942 ASP A C \n1915 O O . ASP A 250 ? 0.3842 0.3769 0.4524 -0.0066 -0.0176 0.0010 942 ASP A O \n1916 C CB . ASP A 250 ? 0.4351 0.4026 0.4771 -0.0135 -0.0182 0.0058 942 ASP A CB \n1917 C CG . ASP A 250 ? 0.7314 0.6852 0.7615 -0.0162 -0.0222 0.0075 942 ASP A CG \n1918 O OD1 . ASP A 250 ? 0.7083 0.6600 0.7396 -0.0171 -0.0256 0.0077 942 ASP A OD1 \n1919 O OD2 . ASP A 250 ? 0.7888 0.7329 0.8076 -0.0175 -0.0225 0.0085 942 ASP A OD2 \n1920 N N . VAL A 251 ? 0.3904 0.3725 0.4435 -0.0084 -0.0145 0.0029 943 VAL A N \n1921 C CA . VAL A 251 ? 0.4005 0.3923 0.4606 -0.0067 -0.0103 0.0019 943 VAL A CA \n1922 C C . VAL A 251 ? 0.3956 0.3920 0.4626 -0.0045 -0.0144 0.0001 943 VAL A C \n1923 O O . VAL A 251 ? 0.3553 0.3615 0.4318 -0.0030 -0.0130 -0.0011 943 VAL A O \n1924 C CB . VAL A 251 ? 0.4723 0.4608 0.5246 -0.0073 -0.0053 0.0028 943 VAL A CB \n1925 C CG1 . VAL A 251 ? 0.4211 0.4182 0.4801 -0.0053 -0.0025 0.0017 943 VAL A CG1 \n1926 C CG2 . VAL A 251 ? 0.4546 0.4418 0.5030 -0.0094 0.0000 0.0045 943 VAL A CG2 \n1927 N N . TYR A 252 ? 0.3898 0.3791 0.4520 -0.0044 -0.0194 0.0001 944 TYR A N \n1928 C CA . TYR A 252 ? 0.3769 0.3711 0.4468 -0.0026 -0.0235 -0.0013 944 TYR A CA \n1929 C C . TYR A 252 ? 0.3481 0.3498 0.4287 -0.0009 -0.0257 -0.0030 944 TYR A C \n1930 O O . TYR A 252 ? 0.3501 0.3607 0.4398 0.0006 -0.0255 -0.0045 944 TYR A O \n1931 C CB . TYR A 252 ? 0.3798 0.3645 0.4429 -0.0031 -0.0292 -0.0007 944 TYR A CB \n1932 C CG . TYR A 252 ? 0.3995 0.3896 0.4709 -0.0017 -0.0333 -0.0019 944 TYR A CG \n1933 C CD1 . TYR A 252 ? 0.4645 0.4512 0.5382 -0.0011 -0.0404 -0.0023 944 TYR A CD1 \n1934 C CD2 . TYR A 252 ? 0.3556 0.3542 0.4328 -0.0011 -0.0303 -0.0026 944 TYR A CD2 \n1935 C CE1 . TYR A 252 ? 0.4129 0.4057 0.4955 0.0000 -0.0440 -0.0033 944 TYR A CE1 \n1936 C CE2 . TYR A 252 ? 0.3535 0.3574 0.4384 -0.0004 -0.0338 -0.0035 944 TYR A CE2 \n1937 C CZ . TYR A 252 ? 0.3918 0.3934 0.4799 0.0000 -0.0404 -0.0038 944 TYR A CZ \n1938 O OH . TYR A 252 ? 0.3729 0.3809 0.4701 0.0006 -0.0436 -0.0045 944 TYR A OH \n1939 N N . MET A 253 ? 0.3341 0.3315 0.4130 -0.0013 -0.0277 -0.0027 945 MET A N \n1940 C CA . MET A 253 ? 0.3745 0.3777 0.4624 0.0005 -0.0298 -0.0045 945 MET A CA \n1941 C C . MET A 253 ? 0.4277 0.4414 0.5232 0.0013 -0.0248 -0.0055 945 MET A C \n1942 O O . MET A 253 ? 0.3191 0.3397 0.4229 0.0034 -0.0257 -0.0074 945 MET A O \n1943 C CB . MET A 253 ? 0.4580 0.4539 0.5413 -0.0002 -0.0324 -0.0038 945 MET A CB \n1944 C CG . MET A 253 ? 0.6840 0.6707 0.7634 0.0001 -0.0396 -0.0038 945 MET A CG \n1945 S SD . MET A 253 ? 0.8264 0.8198 0.9181 0.0042 -0.0448 -0.0067 945 MET A SD \n1946 C CE . MET A 253 ? 0.3997 0.3933 0.4910 0.0038 -0.0461 -0.0062 945 MET A CE \n1947 N N . ILE A 254 ? 0.3490 0.3635 0.4413 -0.0003 -0.0197 -0.0041 946 ILE A N \n1948 C CA . ILE A 254 ? 0.3593 0.3830 0.4583 0.0002 -0.0157 -0.0049 946 ILE A CA \n1949 C C . ILE A 254 ? 0.2666 0.2970 0.3711 0.0016 -0.0151 -0.0063 946 ILE A C \n1950 O O . ILE A 254 ? 0.2907 0.3281 0.4023 0.0029 -0.0146 -0.0079 946 ILE A O \n1951 C CB . ILE A 254 ? 0.4030 0.4269 0.4986 -0.0015 -0.0104 -0.0032 946 ILE A CB \n1952 C CG1 . ILE A 254 ? 0.4918 0.5097 0.5824 -0.0036 -0.0105 -0.0015 946 ILE A CG1 \n1953 C CG2 . ILE A 254 ? 0.4208 0.4537 0.5237 -0.0009 -0.0071 -0.0039 946 ILE A CG2 \n1954 C CD1 . ILE A 254 ? 0.4936 0.5123 0.5817 -0.0055 -0.0050 0.0002 946 ILE A CD1 \n1955 N N . MET A 255 ? 0.2721 0.2998 0.3724 0.0011 -0.0150 -0.0055 947 MET A N \n1956 C CA . MET A 255 ? 0.3375 0.3705 0.4419 0.0018 -0.0148 -0.0064 947 MET A CA \n1957 C C . MET A 255 ? 0.3105 0.3476 0.4224 0.0034 -0.0187 -0.0082 947 MET A C \n1958 O O . MET A 255 ? 0.3151 0.3602 0.4341 0.0042 -0.0174 -0.0095 947 MET A O \n1959 C CB . MET A 255 ? 0.3529 0.3795 0.4500 0.0009 -0.0158 -0.0052 947 MET A CB \n1960 C CG . MET A 255 ? 0.4305 0.4561 0.5225 0.0002 -0.0111 -0.0042 947 MET A CG \n1961 S SD . MET A 255 ? 0.4945 0.5092 0.5749 -0.0007 -0.0128 -0.0029 947 MET A SD \n1962 C CE . MET A 255 ? 0.4628 0.4691 0.5341 -0.0018 -0.0106 -0.0014 947 MET A CE \n1963 N N . VAL A 256 ? 0.3054 0.3368 0.4157 0.0038 -0.0232 -0.0081 948 VAL A N \n1964 C CA . VAL A 256 ? 0.3051 0.3404 0.4234 0.0058 -0.0272 -0.0099 948 VAL A CA \n1965 C C . VAL A 256 ? 0.2706 0.3128 0.3961 0.0076 -0.0255 -0.0119 948 VAL A C \n1966 O O . VAL A 256 ? 0.2795 0.3292 0.4130 0.0091 -0.0254 -0.0137 948 VAL A O \n1967 C CB . VAL A 256 ? 0.3994 0.4260 0.5141 0.0061 -0.0333 -0.0095 948 VAL A CB \n1968 C CG1 . VAL A 256 ? 0.3537 0.3849 0.4780 0.0089 -0.0372 -0.0116 948 VAL A CG1 \n1969 C CG2 . VAL A 256 ? 0.3693 0.3897 0.4779 0.0045 -0.0357 -0.0078 948 VAL A CG2 \n1970 N N . LYS A 257 ? 0.2985 0.3381 0.4208 0.0072 -0.0240 -0.0116 949 LYS A N \n1971 C CA . LYS A 257 ? 0.2857 0.3302 0.4128 0.0086 -0.0223 -0.0132 949 LYS A CA \n1972 C C . LYS A 257 ? 0.2561 0.3089 0.3874 0.0085 -0.0179 -0.0140 949 LYS A C \n1973 O O . LYS A 257 ? 0.2417 0.2999 0.3785 0.0102 -0.0172 -0.0160 949 LYS A O \n1974 C CB . LYS A 257 ? 0.3346 0.3740 0.4567 0.0074 -0.0217 -0.0121 949 LYS A CB \n1975 C CG . LYS A 257 ? 0.5919 0.6226 0.7095 0.0075 -0.0263 -0.0116 949 LYS A CG \n1976 C CD . LYS A 257 ? 0.6076 0.6343 0.7210 0.0057 -0.0255 -0.0104 949 LYS A CD \n1977 C CE . LYS A 257 ? 1.0073 1.0237 1.1137 0.0046 -0.0296 -0.0091 949 LYS A CE \n1978 N NZ . LYS A 257 ? 1.1220 1.1348 1.2242 0.0021 -0.0284 -0.0074 949 LYS A NZ \n1979 N N . CYS A 258 ? 0.2615 0.3145 0.3894 0.0066 -0.0151 -0.0124 950 CYS A N \n1980 C CA . CYS A 258 ? 0.1891 0.2487 0.3199 0.0062 -0.0115 -0.0129 950 CYS A CA \n1981 C C . CYS A 258 ? 0.2333 0.2987 0.3699 0.0070 -0.0121 -0.0143 950 CYS A C \n1982 O O . CYS A 258 ? 0.2581 0.3292 0.3977 0.0068 -0.0095 -0.0151 950 CYS A O \n1983 C CB . CYS A 258 ? 0.1817 0.2394 0.3076 0.0044 -0.0092 -0.0110 950 CYS A CB \n1984 S SG . CYS A 258 ? 0.2879 0.3421 0.4095 0.0033 -0.0067 -0.0094 950 CYS A SG \n1985 N N . TRP A 259 ? 0.2685 0.3323 0.4065 0.0076 -0.0156 -0.0143 951 TRP A N \n1986 C CA . TRP A 259 ? 0.2500 0.3201 0.3947 0.0080 -0.0163 -0.0154 951 TRP A CA \n1987 C C . TRP A 259 ? 0.2550 0.3290 0.4074 0.0106 -0.0185 -0.0176 951 TRP A C \n1988 O O . TRP A 259 ? 0.2780 0.3568 0.4371 0.0111 -0.0200 -0.0183 951 TRP A O \n1989 C CB . TRP A 259 ? 0.3021 0.3690 0.4443 0.0064 -0.0189 -0.0137 951 TRP A CB \n1990 C CG . TRP A 259 ? 0.2727 0.3348 0.4067 0.0043 -0.0170 -0.0117 951 TRP A CG \n1991 C CD1 . TRP A 259 ? 0.2509 0.3154 0.3830 0.0034 -0.0129 -0.0114 951 TRP A CD1 \n1992 C CD2 . TRP A 259 ? 0.2855 0.3392 0.4118 0.0032 -0.0192 -0.0099 951 TRP A CD2 \n1993 N NE1 . TRP A 259 ? 0.2531 0.3118 0.3778 0.0021 -0.0125 -0.0097 951 TRP A NE1 \n1994 C CE2 . TRP A 259 ? 0.3042 0.3560 0.4247 0.0019 -0.0160 -0.0088 951 TRP A CE2 \n1995 C CE3 . TRP A 259 ? 0.2200 0.2668 0.3433 0.0032 -0.0239 -0.0092 951 TRP A CE3 \n1996 C CZ2 . TRP A 259 ? 0.3191 0.3625 0.4305 0.0009 -0.0166 -0.0072 951 TRP A CZ2 \n1997 C CZ3 . TRP A 259 ? 0.2888 0.3267 0.4024 0.0018 -0.0248 -0.0074 951 TRP A CZ3 \n1998 C CH2 . TRP A 259 ? 0.2702 0.3065 0.3777 0.0008 -0.0208 -0.0065 951 TRP A CH2 \n1999 N N . MET A 260 ? 0.2803 0.3524 0.4324 0.0124 -0.0186 -0.0188 952 MET A N \n2000 C CA . MET A 260 ? 0.3206 0.3962 0.4796 0.0156 -0.0199 -0.0215 952 MET A CA \n2001 C C . MET A 260 ? 0.3135 0.3985 0.4790 0.0163 -0.0160 -0.0234 952 MET A C \n2002 O O . MET A 260 ? 0.2052 0.2924 0.3682 0.0147 -0.0120 -0.0232 952 MET A O \n2003 C CB . MET A 260 ? 0.3027 0.3728 0.4581 0.0171 -0.0209 -0.0222 952 MET A CB \n2004 C CG . MET A 260 ? 0.3817 0.4426 0.5316 0.0166 -0.0254 -0.0206 952 MET A CG \n2005 S SD . MET A 260 ? 0.5691 0.6234 0.7152 0.0182 -0.0273 -0.0215 952 MET A SD \n2006 C CE . MET A 260 ? 0.5642 0.6158 0.7029 0.0147 -0.0235 -0.0192 952 MET A CE \n2007 N N . ILE A 261 ? 0.2444 0.3353 0.4187 0.0186 -0.0171 -0.0253 953 ILE A N \n2008 C CA . ILE A 261 ? 0.2464 0.3464 0.4268 0.0192 -0.0127 -0.0273 953 ILE A CA \n2009 C C . ILE A 261 ? 0.2375 0.3371 0.4148 0.0204 -0.0091 -0.0291 953 ILE A C \n2010 O O . ILE A 261 ? 0.2538 0.3575 0.4301 0.0190 -0.0046 -0.0296 953 ILE A O \n2011 C CB . ILE A 261 ? 0.2516 0.3585 0.4435 0.0220 -0.0145 -0.0293 953 ILE A CB \n2012 C CG1 . ILE A 261 ? 0.4279 0.5360 0.6233 0.0200 -0.0180 -0.0271 953 ILE A CG1 \n2013 C CG2 . ILE A 261 ? 0.3298 0.4464 0.5282 0.0231 -0.0092 -0.0317 953 ILE A CG2 \n2014 C CD1 . ILE A 261 ? 0.4645 0.5735 0.6556 0.0155 -0.0158 -0.0247 953 ILE A CD1 \n2015 N N . ASP A 262 ? 0.2799 0.3733 0.4543 0.0228 -0.0116 -0.0301 954 ASP A N \n2016 C CA . ASP A 262 ? 0.2390 0.3298 0.4090 0.0239 -0.0094 -0.0316 954 ASP A CA \n2017 C C . ASP A 262 ? 0.2746 0.3605 0.4362 0.0205 -0.0083 -0.0292 954 ASP A C \n2018 O O . ASP A 262 ? 0.2880 0.3672 0.4450 0.0196 -0.0111 -0.0274 954 ASP A O \n2019 C CB . ASP A 262 ? 0.2858 0.3706 0.4551 0.0273 -0.0132 -0.0332 954 ASP A CB \n2020 C CG . ASP A 262 ? 0.4764 0.5571 0.6404 0.0284 -0.0118 -0.0348 954 ASP A CG \n2021 O OD1 . ASP A 262 ? 0.4484 0.5227 0.6102 0.0308 -0.0153 -0.0358 954 ASP A OD1 \n2022 O OD2 . ASP A 262 ? 0.5374 0.6203 0.6986 0.0268 -0.0077 -0.0349 954 ASP A OD2 \n2023 N N . ALA A 263 ? 0.2199 0.3094 0.3801 0.0186 -0.0042 -0.0291 955 ALA A N \n2024 C CA . ALA A 263 ? 0.2677 0.3534 0.4211 0.0155 -0.0033 -0.0268 955 ALA A CA \n2025 C C . ALA A 263 ? 0.2579 0.3369 0.4063 0.0158 -0.0049 -0.0266 955 ALA A C \n2026 O O . ALA A 263 ? 0.2919 0.3671 0.4362 0.0136 -0.0056 -0.0242 955 ALA A O \n2027 C CB . ALA A 263 ? 0.2795 0.3694 0.4320 0.0137 0.0007 -0.0271 955 ALA A CB \n2028 N N . ASP A 264 ? 0.2626 0.3402 0.4112 0.0185 -0.0052 -0.0292 956 ASP A N \n2029 C CA . ASP A 264 ? 0.3762 0.4467 0.5199 0.0189 -0.0074 -0.0292 956 ASP A CA \n2030 C C . ASP A 264 ? 0.4501 0.5148 0.5924 0.0187 -0.0116 -0.0275 956 ASP A C \n2031 O O . ASP A 264 ? 0.4075 0.4664 0.5452 0.0174 -0.0134 -0.0261 956 ASP A O \n2032 C CB . ASP A 264 ? 0.3350 0.4043 0.4784 0.0223 -0.0071 -0.0326 956 ASP A CB \n2033 C CG . ASP A 264 ? 0.3851 0.4571 0.5264 0.0217 -0.0030 -0.0340 956 ASP A CG \n2034 O OD1 . ASP A 264 ? 0.3800 0.4508 0.5174 0.0186 -0.0021 -0.0321 956 ASP A OD1 \n2035 O OD2 . ASP A 264 ? 0.3627 0.4378 0.5062 0.0245 -0.0007 -0.0371 956 ASP A OD2 \n2036 N N . SER A 265 ? 0.2736 0.3397 0.4196 0.0198 -0.0134 -0.0274 957 SER A N \n2037 C CA . SER A 265 ? 0.3603 0.4200 0.5038 0.0193 -0.0175 -0.0256 957 SER A CA \n2038 C C . SER A 265 ? 0.3157 0.3738 0.4558 0.0157 -0.0170 -0.0223 957 SER A C \n2039 O O . SER A 265 ? 0.3095 0.3614 0.4457 0.0146 -0.0197 -0.0205 957 SER A O \n2040 C CB . SER A 265 ? 0.4242 0.4844 0.5724 0.0222 -0.0206 -0.0271 957 SER A CB \n2041 O OG . SER A 265 ? 0.5549 0.6137 0.7048 0.0260 -0.0221 -0.0302 957 SER A OG \n2042 N N . ARG A 266 ? 0.2434 0.3067 0.3846 0.0140 -0.0135 -0.0214 958 ARG A N \n2043 C CA . ARG A 266 ? 0.2160 0.2783 0.3543 0.0113 -0.0126 -0.0187 958 ARG A CA \n2044 C C . ARG A 266 ? 0.2676 0.3259 0.4016 0.0094 -0.0122 -0.0170 958 ARG A C \n2045 O O . ARG A 266 ? 0.3145 0.3727 0.4485 0.0098 -0.0120 -0.0180 958 ARG A O \n2046 C CB . ARG A 266 ? 0.2130 0.2811 0.3528 0.0101 -0.0092 -0.0185 958 ARG A CB \n2047 C CG . ARG A 266 ? 0.2621 0.3349 0.4066 0.0111 -0.0094 -0.0196 958 ARG A CG \n2048 C CD . ARG A 266 ? 0.1952 0.2733 0.3407 0.0096 -0.0062 -0.0194 958 ARG A CD \n2049 N NE . ARG A 266 ? 0.2241 0.3079 0.3757 0.0107 -0.0063 -0.0210 958 ARG A NE \n2050 C CZ . ARG A 266 ? 0.2250 0.3146 0.3791 0.0100 -0.0034 -0.0218 958 ARG A CZ \n2051 N NH1 . ARG A 266 ? 0.2396 0.3349 0.4001 0.0109 -0.0033 -0.0232 958 ARG A NH1 \n2052 N NH2 . ARG A 266 ? 0.2306 0.3203 0.3809 0.0082 -0.0007 -0.0212 958 ARG A NH2 \n2053 N N . PRO A 267 ? 0.2599 0.3150 0.3904 0.0072 -0.0119 -0.0144 959 PRO A N \n2054 C CA . PRO A 267 ? 0.3095 0.3622 0.4373 0.0050 -0.0110 -0.0125 959 PRO A CA \n2055 C C . PRO A 267 ? 0.3162 0.3736 0.4461 0.0044 -0.0083 -0.0126 959 PRO A C \n2056 O O . PRO A 267 ? 0.3135 0.3754 0.4453 0.0050 -0.0065 -0.0135 959 PRO A O \n2057 C CB . PRO A 267 ? 0.2857 0.3361 0.4101 0.0032 -0.0098 -0.0101 959 PRO A CB \n2058 C CG . PRO A 267 ? 0.3652 0.4136 0.4887 0.0044 -0.0119 -0.0108 959 PRO A CG \n2059 C CD . PRO A 267 ? 0.2628 0.3169 0.3916 0.0065 -0.0120 -0.0132 959 PRO A CD \n2060 N N . LYS A 268 ? 0.3090 0.3651 0.4384 0.0029 -0.0083 -0.0114 960 LYS A N \n2061 C CA . LYS A 268 ? 0.3243 0.3840 0.4554 0.0019 -0.0063 -0.0110 960 LYS A CA \n2062 C C . LYS A 268 ? 0.3373 0.3984 0.4687 0.0001 -0.0040 -0.0085 960 LYS A C \n2063 O O . LYS A 268 ? 0.2986 0.3569 0.4281 -0.0009 -0.0039 -0.0069 960 LYS A O \n2064 C CB . LYS A 268 ? 0.3460 0.4037 0.4770 0.0013 -0.0082 -0.0112 960 LYS A CB \n2065 C CG . LYS A 268 ? 0.3999 0.4549 0.5296 0.0035 -0.0104 -0.0138 960 LYS A CG \n2066 C CD . LYS A 268 ? 0.4113 0.4702 0.5422 0.0052 -0.0087 -0.0162 960 LYS A CD \n2067 C CE . LYS A 268 ? 0.5469 0.6043 0.6777 0.0081 -0.0101 -0.0190 960 LYS A CE \n2068 N NZ . LYS A 268 ? 0.6675 0.7196 0.7954 0.0087 -0.0127 -0.0200 960 LYS A NZ \n2069 N N . PHE A 269 ? 0.2494 0.3142 0.3827 -0.0001 -0.0022 -0.0083 961 PHE A N \n2070 C CA . PHE A 269 ? 0.2747 0.3411 0.4089 -0.0010 0.0001 -0.0063 961 PHE A CA \n2071 C C . PHE A 269 ? 0.2178 0.2830 0.3531 -0.0030 0.0000 -0.0042 961 PHE A C \n2072 O O . PHE A 269 ? 0.2735 0.3384 0.4082 -0.0038 0.0020 -0.0026 961 PHE A O \n2073 C CB . PHE A 269 ? 0.3546 0.4246 0.4908 -0.0008 0.0013 -0.0065 961 PHE A CB \n2074 C CG . PHE A 269 ? 0.2468 0.3177 0.3813 0.0003 0.0022 -0.0077 961 PHE A CG \n2075 C CD1 . PHE A 269 ? 0.2357 0.3056 0.3680 0.0006 0.0035 -0.0072 961 PHE A CD1 \n2076 C CD2 . PHE A 269 ? 0.2366 0.3090 0.3711 0.0006 0.0016 -0.0093 961 PHE A CD2 \n2077 C CE1 . PHE A 269 ? 0.2628 0.3330 0.3934 0.0013 0.0037 -0.0081 961 PHE A CE1 \n2078 C CE2 . PHE A 269 ? 0.2751 0.3487 0.4084 0.0011 0.0024 -0.0101 961 PHE A CE2 \n2079 C CZ . PHE A 269 ? 0.2538 0.3264 0.3854 0.0014 0.0032 -0.0095 961 PHE A CZ \n2080 N N . ARG A 270 ? 0.2391 0.3031 0.3755 -0.0038 -0.0024 -0.0043 962 ARG A N \n2081 C CA . ARG A 270 ? 0.3437 0.4070 0.4819 -0.0063 -0.0029 -0.0020 962 ARG A CA \n2082 C C . ARG A 270 ? 0.3871 0.4461 0.5214 -0.0071 -0.0030 -0.0010 962 ARG A C \n2083 O O . ARG A 270 ? 0.3710 0.4300 0.5056 -0.0092 -0.0011 0.0012 962 ARG A O \n2084 C CB . ARG A 270 ? 0.3955 0.4569 0.5343 -0.0072 -0.0064 -0.0023 962 ARG A CB \n2085 C CG . ARG A 270 ? 0.5484 0.6044 0.6829 -0.0060 -0.0095 -0.0042 962 ARG A CG \n2086 C CD . ARG A 270 ? 0.8560 0.9103 0.9896 -0.0052 -0.0120 -0.0061 962 ARG A CD \n2087 N NE . ARG A 270 ? 0.7125 0.7695 0.8458 -0.0029 -0.0105 -0.0084 962 ARG A NE \n2088 C CZ . ARG A 270 ? 0.7541 0.8091 0.8848 -0.0013 -0.0117 -0.0109 962 ARG A CZ \n2089 N NH1 . ARG A 270 ? 0.9286 0.9782 1.0565 -0.0012 -0.0148 -0.0117 962 ARG A NH1 \n2090 N NH2 . ARG A 270 ? 0.6233 0.6812 0.7538 0.0000 -0.0097 -0.0127 962 ARG A NH2 \n2091 N N . GLU A 271 ? 0.3289 0.3840 0.4593 -0.0055 -0.0050 -0.0029 963 GLU A N \n2092 C CA . GLU A 271 ? 0.3474 0.3970 0.4731 -0.0060 -0.0060 -0.0023 963 GLU A CA \n2093 C C . GLU A 271 ? 0.3406 0.3903 0.4640 -0.0062 -0.0028 -0.0012 963 GLU A C \n2094 O O . GLU A 271 ? 0.3190 0.3645 0.4385 -0.0079 -0.0024 0.0004 963 GLU A O \n2095 C CB . GLU A 271 ? 0.4203 0.4665 0.5439 -0.0036 -0.0094 -0.0048 963 GLU A CB \n2096 C CG . GLU A 271 ? 0.4469 0.4906 0.5707 -0.0033 -0.0128 -0.0059 963 GLU A CG \n2097 C CD . GLU A 271 ? 0.7105 0.7524 0.8336 0.0000 -0.0152 -0.0090 963 GLU A CD \n2098 O OE1 . GLU A 271 ? 0.6586 0.6971 0.7806 0.0006 -0.0181 -0.0102 963 GLU A OE1 \n2099 O OE2 . GLU A 271 ? 0.4681 0.5120 0.5919 0.0017 -0.0144 -0.0102 963 GLU A OE2 \n2100 N N . LEU A 272 ? 0.2611 0.3145 0.3858 -0.0044 -0.0008 -0.0023 964 LEU A N \n2101 C CA . LEU A 272 ? 0.2754 0.3278 0.3969 -0.0042 0.0017 -0.0016 964 LEU A CA \n2102 C C . LEU A 272 ? 0.2718 0.3264 0.3945 -0.0058 0.0057 0.0005 964 LEU A C \n2103 O O . LEU A 272 ? 0.3063 0.3577 0.4245 -0.0067 0.0079 0.0017 964 LEU A O \n2104 C CB . LEU A 272 ? 0.2685 0.3240 0.3911 -0.0021 0.0022 -0.0033 964 LEU A CB \n2105 C CG . LEU A 272 ? 0.3034 0.3578 0.4255 -0.0005 -0.0008 -0.0053 964 LEU A CG \n2106 C CD1 . LEU A 272 ? 0.3016 0.3607 0.4264 0.0006 0.0000 -0.0067 964 LEU A CD1 \n2107 C CD2 . LEU A 272 ? 0.2926 0.3414 0.4095 -0.0005 -0.0021 -0.0050 964 LEU A CD2 \n2108 N N . ILE A 273 ? 0.2961 0.3559 0.4248 -0.0063 0.0064 0.0009 965 ILE A N \n2109 C CA . ILE A 273 ? 0.2701 0.3332 0.4021 -0.0078 0.0100 0.0030 965 ILE A CA \n2110 C C . ILE A 273 ? 0.3250 0.3842 0.4538 -0.0106 0.0104 0.0051 965 ILE A C \n2111 O O . ILE A 273 ? 0.3911 0.4495 0.5175 -0.0116 0.0142 0.0065 965 ILE A O \n2112 C CB . ILE A 273 ? 0.2521 0.3210 0.3919 -0.0082 0.0093 0.0034 965 ILE A CB \n2113 C CG1 . ILE A 273 ? 0.2574 0.3297 0.3996 -0.0058 0.0092 0.0017 965 ILE A CG1 \n2114 C CG2 . ILE A 273 ? 0.2484 0.3215 0.3932 -0.0100 0.0128 0.0058 965 ILE A CG2 \n2115 C CD1 . ILE A 273 ? 0.3097 0.3854 0.4576 -0.0062 0.0069 0.0017 965 ILE A CD1 \n2116 N N . ILE A 274 ? 0.3145 0.3705 0.4426 -0.0120 0.0064 0.0051 966 ILE A N \n2117 C CA . ILE A 274 ? 0.3621 0.4132 0.4865 -0.0152 0.0060 0.0072 966 ILE A CA \n2118 C C . ILE A 274 ? 0.4114 0.4557 0.5270 -0.0153 0.0067 0.0074 966 ILE A C \n2119 O O . ILE A 274 ? 0.3448 0.3869 0.4570 -0.0177 0.0098 0.0094 966 ILE A O \n2120 C CB . ILE A 274 ? 0.4227 0.4703 0.5470 -0.0164 0.0007 0.0070 966 ILE A CB \n2121 C CG1 . ILE A 274 ? 0.3830 0.4364 0.5150 -0.0171 0.0000 0.0074 966 ILE A CG1 \n2122 C CG2 . ILE A 274 ? 0.4307 0.4716 0.5495 -0.0198 -0.0004 0.0091 966 ILE A CG2 \n2123 C CD1 . ILE A 274 ? 0.4417 0.4913 0.5731 -0.0174 -0.0053 0.0066 966 ILE A CD1 \n2124 N N . GLU A 275 ? 0.3273 0.3680 0.4393 -0.0128 0.0039 0.0052 967 GLU A N \n2125 C CA . GLU A 275 ? 0.3401 0.3732 0.4434 -0.0129 0.0034 0.0053 967 GLU A CA \n2126 C C . GLU A 275 ? 0.3016 0.3348 0.4016 -0.0127 0.0083 0.0061 967 GLU A C \n2127 O O . GLU A 275 ? 0.3567 0.3836 0.4491 -0.0147 0.0099 0.0076 967 GLU A O \n2128 C CB . GLU A 275 ? 0.3336 0.3639 0.4355 -0.0101 -0.0010 0.0029 967 GLU A CB \n2129 C CG . GLU A 275 ? 0.4927 0.5139 0.5857 -0.0106 -0.0032 0.0033 967 GLU A CG \n2130 C CD . GLU A 275 ? 0.8241 0.8413 0.9166 -0.0087 -0.0092 0.0014 967 GLU A CD \n2131 O OE1 . GLU A 275 ? 0.8806 0.9030 0.9795 -0.0065 -0.0108 -0.0005 967 GLU A OE1 \n2132 O OE2 . GLU A 275 ? 0.8694 0.8780 0.9547 -0.0094 -0.0123 0.0019 967 GLU A OE2 \n2133 N N . PHE A 276 ? 0.2700 0.3091 0.3742 -0.0104 0.0107 0.0050 968 PHE A N \n2134 C CA . PHE A 276 ? 0.2664 0.3049 0.3669 -0.0099 0.0153 0.0054 968 PHE A CA \n2135 C C . PHE A 276 ? 0.3036 0.3451 0.4061 -0.0119 0.0205 0.0075 968 PHE A C \n2136 O O . PHE A 276 ? 0.3829 0.4212 0.4795 -0.0122 0.0247 0.0084 968 PHE A O \n2137 C CB . PHE A 276 ? 0.3189 0.3618 0.4227 -0.0069 0.0161 0.0037 968 PHE A CB \n2138 C CG . PHE A 276 ? 0.2844 0.3229 0.3836 -0.0053 0.0126 0.0021 968 PHE A CG \n2139 C CD1 . PHE A 276 ? 0.3144 0.3456 0.4045 -0.0052 0.0132 0.0024 968 PHE A CD1 \n2140 C CD2 . PHE A 276 ? 0.3501 0.3917 0.4540 -0.0040 0.0088 0.0005 968 PHE A CD2 \n2141 C CE1 . PHE A 276 ? 0.4421 0.4694 0.5288 -0.0040 0.0093 0.0012 968 PHE A CE1 \n2142 C CE2 . PHE A 276 ? 0.3153 0.3538 0.4162 -0.0027 0.0056 -0.0007 968 PHE A CE2 \n2143 C CZ . PHE A 276 ? 0.3174 0.3490 0.4103 -0.0029 0.0056 -0.0003 968 PHE A CZ \n2144 N N . SER A 277 ? 0.3381 0.3857 0.4488 -0.0133 0.0203 0.0084 969 SER A N \n2145 C CA . SER A 277 ? 0.3733 0.4250 0.4876 -0.0157 0.0253 0.0108 969 SER A CA \n2146 C C . SER A 277 ? 0.3697 0.4144 0.4761 -0.0193 0.0264 0.0128 969 SER A C \n2147 O O . SER A 277 ? 0.3915 0.4365 0.4957 -0.0207 0.0321 0.0143 969 SER A O \n2148 C CB . SER A 277 ? 0.3443 0.4040 0.4698 -0.0168 0.0241 0.0116 969 SER A CB \n2149 O OG . SER A 277 ? 0.3519 0.4183 0.4845 -0.0138 0.0245 0.0102 969 SER A OG \n2150 N N . LYS A 278 ? 0.3604 0.3985 0.4622 -0.0208 0.0210 0.0129 970 LYS A N \n2151 C CA . LYS A 278 ? 0.4328 0.4619 0.5250 -0.0243 0.0206 0.0147 970 LYS A CA \n2152 C C . LYS A 278 ? 0.4602 0.4818 0.5413 -0.0236 0.0232 0.0144 970 LYS A C \n2153 O O . LYS A 278 ? 0.4030 0.4199 0.4771 -0.0265 0.0271 0.0164 970 LYS A O \n2154 C CB . LYS A 278 ? 0.5288 0.5517 0.6183 -0.0249 0.0133 0.0142 970 LYS A CB \n2155 C CG . LYS A 278 ? 0.6577 0.6711 0.7380 -0.0291 0.0118 0.0164 970 LYS A CG \n2156 C CD . LYS A 278 ? 0.8192 0.8235 0.8934 -0.0279 0.0044 0.0149 970 LYS A CD \n2157 C CE . LYS A 278 ? 0.7525 0.7510 0.8192 -0.0254 0.0040 0.0135 970 LYS A CE \n2158 N NZ . LYS A 278 ? 0.7039 0.7009 0.7722 -0.0218 -0.0022 0.0108 970 LYS A NZ \n2159 N N . MET A 279 ? 0.4010 0.4209 0.4801 -0.0200 0.0210 0.0121 971 MET A N \n2160 C CA . MET A 279 ? 0.4611 0.4732 0.5295 -0.0192 0.0227 0.0118 971 MET A CA \n2161 C C . MET A 279 ? 0.4331 0.4487 0.5012 -0.0187 0.0306 0.0124 971 MET A C \n2162 O O . MET A 279 ? 0.4468 0.4550 0.5043 -0.0200 0.0340 0.0133 971 MET A O \n2163 C CB . MET A 279 ? 0.3866 0.3970 0.4543 -0.0157 0.0181 0.0094 971 MET A CB \n2164 C CG . MET A 279 ? 0.4532 0.4578 0.5187 -0.0160 0.0108 0.0088 971 MET A CG \n2165 S SD . MET A 279 ? 0.5161 0.5209 0.5833 -0.0121 0.0059 0.0061 971 MET A SD \n2166 C CE . MET A 279 ? 0.4972 0.4971 0.5644 -0.0125 -0.0017 0.0055 971 MET A CE \n2167 N N . ALA A 280 ? 0.4161 0.4424 0.4952 -0.0166 0.0333 0.0117 972 ALA A N \n2168 C CA . ALA A 280 ? 0.4731 0.5039 0.5538 -0.0154 0.0406 0.0119 972 ALA A CA \n2169 C C . ALA A 280 ? 0.4662 0.4976 0.5458 -0.0190 0.0464 0.0145 972 ALA A C \n2170 O O . ALA A 280 ? 0.4924 0.5257 0.5709 -0.0182 0.0534 0.0147 972 ALA A O \n2171 C CB . ALA A 280 ? 0.4188 0.4609 0.5125 -0.0126 0.0413 0.0108 972 ALA A CB \n2172 N N . ARG A 281 ? 0.4550 0.4845 0.5346 -0.0229 0.0436 0.0163 973 ARG A N \n2173 C CA . ARG A 281 ? 0.5361 0.5657 0.6142 -0.0274 0.0485 0.0191 973 ARG A CA \n2174 C C . ARG A 281 ? 0.5684 0.5852 0.6300 -0.0296 0.0505 0.0200 973 ARG A C \n2175 O O . ARG A 281 ? 0.5683 0.5844 0.6262 -0.0328 0.0567 0.0220 973 ARG A O \n2176 C CB . ARG A 281 ? 0.5834 0.6152 0.6674 -0.0312 0.0442 0.0209 973 ARG A CB \n2177 C CG . ARG A 281 ? 0.7494 0.7946 0.8497 -0.0308 0.0451 0.0213 973 ARG A CG \n2178 C CD . ARG A 281 ? 0.8217 0.8681 0.9263 -0.0355 0.0419 0.0237 973 ARG A CD \n2179 N NE . ARG A 281 ? 0.8985 0.9407 1.0025 -0.0348 0.0333 0.0225 973 ARG A NE \n2180 C CZ . ARG A 281 ? 0.8865 0.9347 0.9996 -0.0320 0.0296 0.0208 973 ARG A CZ \n2181 N NH1 . ARG A 281 ? 0.7091 0.7675 0.8326 -0.0297 0.0329 0.0203 973 ARG A NH1 \n2182 N NH2 . ARG A 281 ? 0.7409 0.7844 0.8522 -0.0313 0.0225 0.0195 973 ARG A NH2 \n2183 N N . ASP A 282 ? 0.5413 0.5479 0.5928 -0.0281 0.0451 0.0185 974 ASP A N \n2184 C CA . ASP A 282 ? 0.4986 0.4912 0.5331 -0.0300 0.0455 0.0192 974 ASP A CA \n2185 C C . ASP A 282 ? 0.5427 0.5289 0.5706 -0.0260 0.0421 0.0167 974 ASP A C \n2186 O O . ASP A 282 ? 0.5649 0.5421 0.5858 -0.0262 0.0351 0.0163 974 ASP A O \n2187 C CB . ASP A 282 ? 0.6211 0.6053 0.6496 -0.0342 0.0396 0.0209 974 ASP A CB \n2188 C CG . ASP A 282 ? 0.6479 0.6162 0.6579 -0.0369 0.0392 0.0220 974 ASP A CG \n2189 O OD1 . ASP A 282 ? 0.6299 0.5939 0.6311 -0.0363 0.0451 0.0219 974 ASP A OD1 \n2190 O OD2 . ASP A 282 ? 0.7711 0.7303 0.7746 -0.0396 0.0327 0.0229 974 ASP A OD2 \n2191 N N . PRO A 283 ? 0.5975 0.5884 0.6279 -0.0223 0.0467 0.0152 975 PRO A N \n2192 C CA . PRO A 283 ? 0.4872 0.4746 0.5147 -0.0184 0.0426 0.0129 975 PRO A CA \n2193 C C . PRO A 283 ? 0.6284 0.6002 0.6390 -0.0192 0.0392 0.0128 975 PRO A C \n2194 O O . PRO A 283 ? 0.4577 0.4254 0.4667 -0.0175 0.0326 0.0115 975 PRO A O \n2195 C CB . PRO A 283 ? 0.5322 0.5263 0.5638 -0.0150 0.0493 0.0117 975 PRO A CB \n2196 C CG . PRO A 283 ? 0.5060 0.5031 0.5377 -0.0171 0.0577 0.0134 975 PRO A CG \n2197 C CD . PRO A 283 ? 0.4665 0.4661 0.5028 -0.0215 0.0557 0.0156 975 PRO A CD \n2198 N N . GLN A 284 ? 0.6003 0.5630 0.5983 -0.0221 0.0436 0.0144 976 GLN A N \n2199 C CA . GLN A 284 ? 0.5899 0.5363 0.5701 -0.0230 0.0407 0.0146 976 GLN A CA \n2200 C C . GLN A 284 ? 0.5987 0.5365 0.5742 -0.0256 0.0319 0.0154 976 GLN A C \n2201 O O . GLN A 284 ? 0.6224 0.5475 0.5858 -0.0257 0.0267 0.0152 976 GLN A O \n2202 C CB . GLN A 284 ? 0.6607 0.5995 0.6275 -0.0250 0.0490 0.0158 976 GLN A CB \n2203 C CG . GLN A 284 ? 0.7380 0.6836 0.7084 -0.0212 0.0570 0.0143 976 GLN A CG \n2204 C CD . GLN A 284 ? 0.8428 0.7826 0.8014 -0.0227 0.0666 0.0152 976 GLN A CD \n2205 O OE1 . GLN A 284 ? 0.9329 0.8835 0.9002 -0.0221 0.0749 0.0154 976 GLN A OE1 \n2206 N NE2 . GLN A 284 ? 0.6856 0.6084 0.6245 -0.0247 0.0655 0.0158 976 GLN A NE2 \n2207 N N . ARG A 285 ? 0.5647 0.5092 0.5499 -0.0275 0.0297 0.0163 977 ARG A N \n2208 C CA . ARG A 285 ? 0.6036 0.5423 0.5879 -0.0287 0.0204 0.0165 977 ARG A CA \n2209 C C . ARG A 285 ? 0.5732 0.5154 0.5651 -0.0247 0.0135 0.0141 977 ARG A C \n2210 O O . ARG A 285 ? 0.5693 0.5034 0.5568 -0.0247 0.0057 0.0138 977 ARG A O \n2211 C CB . ARG A 285 ? 0.5937 0.5391 0.5870 -0.0313 0.0199 0.0178 977 ARG A CB \n2212 C CG . ARG A 285 ? 0.6103 0.5465 0.5990 -0.0332 0.0111 0.0184 977 ARG A CG \n2213 C CD . ARG A 285 ? 0.7132 0.6555 0.7108 -0.0354 0.0098 0.0195 977 ARG A CD \n2214 N NE . ARG A 285 ? 0.7481 0.6854 0.7465 -0.0345 0.0001 0.0186 977 ARG A NE \n2215 C CZ . ARG A 285 ? 0.8402 0.7802 0.8451 -0.0354 -0.0037 0.0188 977 ARG A CZ \n2216 N NH1 . ARG A 285 ? 0.7654 0.7001 0.7704 -0.0338 -0.0123 0.0176 977 ARG A NH1 \n2217 N NH2 . ARG A 285 ? 0.6082 0.5561 0.6199 -0.0378 0.0007 0.0203 977 ARG A NH2 \n2218 N N . TYR A 286 ? 0.5958 0.5499 0.5992 -0.0214 0.0163 0.0125 978 TYR A N \n2219 C CA . TYR A 286 ? 0.5018 0.4615 0.5146 -0.0182 0.0104 0.0105 978 TYR A CA \n2220 C C . TYR A 286 ? 0.5153 0.4728 0.5249 -0.0154 0.0096 0.0090 978 TYR A C \n2221 O O . TYR A 286 ? 0.4182 0.3756 0.4310 -0.0137 0.0032 0.0078 978 TYR A O \n2222 C CB . TYR A 286 ? 0.4485 0.4229 0.4772 -0.0169 0.0121 0.0098 978 TYR A CB \n2223 C CG . TYR A 286 ? 0.4906 0.4660 0.5225 -0.0196 0.0107 0.0111 978 TYR A CG \n2224 C CD1 . TYR A 286 ? 0.5238 0.5031 0.5574 -0.0222 0.0167 0.0129 978 TYR A CD1 \n2225 C CD2 . TYR A 286 ? 0.4921 0.4644 0.5255 -0.0196 0.0032 0.0106 978 TYR A CD2 \n2226 C CE1 . TYR A 286 ? 0.5139 0.4935 0.5500 -0.0252 0.0149 0.0144 978 TYR A CE1 \n2227 C CE2 . TYR A 286 ? 0.5520 0.5238 0.5871 -0.0221 0.0014 0.0118 978 TYR A CE2 \n2228 C CZ . TYR A 286 ? 0.5952 0.5704 0.6313 -0.0251 0.0071 0.0138 978 TYR A CZ \n2229 O OH . TYR A 286 ? 0.5514 0.5257 0.5891 -0.0280 0.0049 0.0152 978 TYR A OH \n2230 N N . LEU A 287 ? 0.4198 0.3756 0.4232 -0.0149 0.0160 0.0092 979 LEU A N \n2231 C CA . LEU A 287 ? 0.4245 0.3752 0.4216 -0.0127 0.0152 0.0080 979 LEU A CA \n2232 C C . LEU A 287 ? 0.5012 0.4372 0.4802 -0.0143 0.0175 0.0091 979 LEU A C \n2233 O O . LEU A 287 ? 0.5495 0.4840 0.5232 -0.0160 0.0244 0.0102 979 LEU A O \n2234 C CB . LEU A 287 ? 0.4276 0.3890 0.4336 -0.0097 0.0202 0.0067 979 LEU A CB \n2235 C CG . LEU A 287 ? 0.4809 0.4562 0.5036 -0.0081 0.0183 0.0057 979 LEU A CG \n2236 C CD1 . LEU A 287 ? 0.4358 0.4197 0.4653 -0.0054 0.0233 0.0046 979 LEU A CD1 \n2237 C CD2 . LEU A 287 ? 0.3826 0.3574 0.4085 -0.0073 0.0104 0.0046 979 LEU A CD2 \n2238 N N . VAL A 288 ? 0.4829 0.4079 0.4522 -0.0141 0.0118 0.0087 980 VAL A N \n2239 C CA . VAL A 288 ? 0.5664 0.4750 0.5164 -0.0157 0.0126 0.0096 980 VAL A CA \n2240 C C . VAL A 288 ? 0.5580 0.4633 0.5021 -0.0131 0.0148 0.0084 980 VAL A C \n2241 O O . VAL A 288 ? 0.5629 0.4653 0.5068 -0.0119 0.0085 0.0076 980 VAL A O \n2242 C CB . VAL A 288 ? 0.5781 0.4738 0.5191 -0.0178 0.0032 0.0105 980 VAL A CB \n2243 C CG1 . VAL A 288 ? 0.6715 0.5488 0.5908 -0.0201 0.0042 0.0116 980 VAL A CG1 \n2244 C CG2 . VAL A 288 ? 0.6096 0.5087 0.5575 -0.0199 0.0000 0.0114 980 VAL A CG2 \n2245 N N . ILE A 289 ? 0.5355 0.4412 0.4750 -0.0122 0.0238 0.0082 981 ILE A N \n2246 C CA . ILE A 289 ? 0.5792 0.4820 0.5131 -0.0091 0.0270 0.0068 981 ILE A CA \n2247 C C . ILE A 289 ? 0.7001 0.5883 0.6143 -0.0101 0.0326 0.0073 981 ILE A C \n2248 O O . ILE A 289 ? 0.6502 0.5404 0.5630 -0.0114 0.0401 0.0082 981 ILE A O \n2249 C CB . ILE A 289 ? 0.5966 0.5154 0.5455 -0.0060 0.0333 0.0056 981 ILE A CB \n2250 C CG1 . ILE A 289 ? 0.5456 0.4782 0.5129 -0.0052 0.0281 0.0050 981 ILE A CG1 \n2251 C CG2 . ILE A 289 ? 0.6158 0.5306 0.5580 -0.0026 0.0368 0.0040 981 ILE A CG2 \n2252 C CD1 . ILE A 289 ? 0.5854 0.5337 0.5680 -0.0030 0.0335 0.0043 981 ILE A CD1 \n2253 N N . GLN A 290 ? 0.7198 0.5931 0.6185 -0.0097 0.0289 0.0070 982 GLN A N \n2254 C CA . GLN A 290 ? 0.7420 0.5996 0.6198 -0.0105 0.0342 0.0072 982 GLN A CA \n2255 C C . GLN A 290 ? 0.7877 0.6519 0.6673 -0.0072 0.0454 0.0059 982 GLN A C \n2256 O O . GLN A 290 ? 0.8123 0.6839 0.7001 -0.0034 0.0462 0.0042 982 GLN A O \n2257 C CB . GLN A 290 ? 0.9432 0.7831 0.8042 -0.0105 0.0274 0.0070 982 GLN A CB \n2258 C CG . GLN A 290 ? 1.1835 1.0037 1.0199 -0.0123 0.0309 0.0076 982 GLN A CG \n2259 C CD . GLN A 290 ? 1.2915 1.0931 1.1102 -0.0122 0.0239 0.0073 982 GLN A CD \n2260 O OE1 . GLN A 290 ? 1.1338 0.9370 0.9556 -0.0093 0.0215 0.0060 982 GLN A OE1 \n2261 N NE2 . GLN A 290 ? 1.3825 1.1655 1.1819 -0.0157 0.0203 0.0088 982 GLN A NE2 \n2262 N N . GLY A 291 ? 0.8149 0.6765 0.6872 -0.0088 0.0540 0.0067 983 GLY A N \n2263 C CA . GLY A 291 ? 0.8277 0.6956 0.7017 -0.0056 0.0654 0.0054 983 GLY A CA \n2264 C C . GLY A 291 ? 0.8909 0.7805 0.7882 -0.0045 0.0698 0.0054 983 GLY A C \n2265 O O . GLY A 291 ? 0.8003 0.6982 0.7034 -0.0014 0.0785 0.0042 983 GLY A O \n2266 N N . ASP A 292 ? 0.8035 0.7017 0.7138 -0.0070 0.0636 0.0066 984 ASP A N \n2267 C CA . ASP A 292 ? 0.6897 0.6074 0.6220 -0.0063 0.0657 0.0067 984 ASP A CA \n2268 C C . ASP A 292 ? 0.7346 0.6609 0.6718 -0.0058 0.0771 0.0070 984 ASP A C \n2269 O O . ASP A 292 ? 0.7307 0.6703 0.6820 -0.0024 0.0811 0.0058 984 ASP A O \n2270 C CB . ASP A 292 ? 0.5678 0.4891 0.5076 -0.0101 0.0589 0.0085 984 ASP A CB \n2271 C CG . ASP A 292 ? 0.6828 0.6220 0.6445 -0.0089 0.0571 0.0081 984 ASP A CG \n2272 O OD1 . ASP A 292 ? 0.7331 0.6822 0.7048 -0.0052 0.0606 0.0067 984 ASP A OD1 \n2273 O OD2 . ASP A 292 ? 0.7093 0.6519 0.6777 -0.0115 0.0519 0.0093 984 ASP A OD2 \n2274 N N . GLU A 293 ? 0.8300 0.7487 0.7556 -0.0095 0.0821 0.0087 985 GLU A N \n2275 C CA . GLU A 293 ? 1.0027 0.9294 0.9324 -0.0099 0.0936 0.0093 985 GLU A CA \n2276 C C . GLU A 293 ? 0.9391 0.8676 0.8676 -0.0044 0.1018 0.0069 985 GLU A C \n2277 O O . GLU A 293 ? 0.9474 0.8905 0.8904 -0.0023 0.1090 0.0065 985 GLU A O \n2278 C CB . GLU A 293 ? 1.1650 1.0799 1.0786 -0.0152 0.0972 0.0115 985 GLU A CB \n2279 C CG . GLU A 293 ? 1.3974 1.3229 1.3185 -0.0176 0.1077 0.0131 985 GLU A CG \n2280 C CD . GLU A 293 ? 1.5493 1.4875 1.4873 -0.0213 0.1042 0.0153 985 GLU A CD \n2281 O OE1 . GLU A 293 ? 1.4291 1.3597 1.3618 -0.0253 0.0961 0.0169 985 GLU A OE1 \n2282 O OE2 . GLU A 293 ? 1.5574 1.5126 1.5137 -0.0202 0.1092 0.0155 985 GLU A OE2 \n2283 N N . ARG A 294 ? 0.9454 0.8588 0.8568 -0.0020 0.1001 0.0053 986 ARG A N \n2284 C CA . ARG A 294 ? 1.0036 0.9156 0.9109 0.0034 0.1070 0.0027 986 ARG A CA \n2285 C C . ARG A 294 ? 1.0976 1.0136 1.0132 0.0082 0.1006 0.0006 986 ARG A C \n2286 O O . ARG A 294 ? 1.3179 1.2208 1.2196 0.0107 0.0978 -0.0009 986 ARG A O \n2287 C CB . ARG A 294 ? 1.0660 0.9569 0.9466 0.0030 0.1102 0.0022 986 ARG A CB \n2288 C CG . ARG A 294 ? 1.2138 1.1018 1.0855 0.0000 0.1208 0.0036 986 ARG A CG \n2289 C CD . ARG A 294 ? 1.2418 1.1218 1.1052 -0.0071 0.1162 0.0066 986 ARG A CD \n2290 N NE . ARG A 294 ? 1.4330 1.2896 1.2708 -0.0091 0.1111 0.0068 986 ARG A NE \n2291 C CZ . ARG A 294 ? 1.5835 1.4251 1.4003 -0.0122 0.1169 0.0077 986 ARG A CZ \n2292 N NH1 . ARG A 294 ? 1.5502 1.3985 1.3688 -0.0138 0.1287 0.0086 986 ARG A NH1 \n2293 N NH2 . ARG A 294 ? 1.4309 1.2504 1.2245 -0.0139 0.1109 0.0079 986 ARG A NH2 \n2294 N N . MET A 295 ? 1.0734 1.0065 1.0106 0.0091 0.0982 0.0007 987 MET A N \n2295 C CA . MET A 295 ? 0.9874 0.9254 0.9335 0.0132 0.0926 -0.0011 987 MET A CA \n2296 C C . MET A 295 ? 1.0151 0.9701 0.9801 0.0172 0.0979 -0.0022 987 MET A C \n2297 O O . MET A 295 ? 0.8481 0.8175 0.8297 0.0154 0.0990 -0.0008 987 MET A O \n2298 C CB . MET A 295 ? 1.0538 0.9933 1.0060 0.0106 0.0814 -0.0001 987 MET A CB \n2299 C CG . MET A 295 ? 0.9017 0.8253 0.8384 0.0105 0.0736 -0.0007 987 MET A CG \n2300 S SD . MET A 295 ? 0.9838 0.9087 0.9268 0.0066 0.0616 0.0007 987 MET A SD \n2301 C CE . MET A 295 ? 1.0024 0.9063 0.9240 0.0060 0.0545 0.0004 987 MET A CE \n2302 N N . HIS A 296 ? 1.2215 1.1739 1.1835 0.0227 0.1003 -0.0046 988 HIS A N \n2303 C CA . HIS A 296 ? 1.2213 1.1877 1.1991 0.0274 0.1056 -0.0061 988 HIS A CA \n2304 C C . HIS A 296 ? 0.9897 0.9581 0.9739 0.0308 0.0983 -0.0077 988 HIS A C \n2305 O O . HIS A 296 ? 1.0129 0.9685 0.9836 0.0328 0.0946 -0.0091 988 HIS A O \n2306 C CB . HIS A 296 ? 1.4909 1.4523 1.4595 0.0315 0.1162 -0.0079 988 HIS A CB \n2307 C CG . HIS A 296 ? 1.7146 1.6561 1.6601 0.0335 0.1148 -0.0096 988 HIS A CG \n2308 N ND1 . HIS A 296 ? 1.6524 1.5779 1.5781 0.0295 0.1136 -0.0084 988 HIS A ND1 \n2309 C CD2 . HIS A 296 ? 1.6681 1.6020 1.6065 0.0389 0.1138 -0.0122 988 HIS A CD2 \n2310 C CE1 . HIS A 296 ? 1.5913 1.5005 1.4989 0.0323 0.1119 -0.0102 988 HIS A CE1 \n2311 N NE2 . HIS A 296 ? 1.5946 1.5085 1.5094 0.0380 0.1121 -0.0126 988 HIS A NE2 \n2312 N N . LEU A 297 ? 0.7822 0.7659 0.7861 0.0310 0.0958 -0.0072 989 LEU A N \n2313 C CA . LEU A 297 ? 0.9211 0.9070 0.9312 0.0340 0.0893 -0.0086 989 LEU A CA \n2314 C C . LEU A 297 ? 1.0864 1.0735 1.0982 0.0406 0.0943 -0.0112 989 LEU A C \n2315 O O . LEU A 297 ? 0.8567 0.8540 0.8789 0.0428 0.1019 -0.0114 989 LEU A O \n2316 C CB . LEU A 297 ? 0.8475 0.8472 0.8758 0.0318 0.0840 -0.0074 989 LEU A CB \n2317 C CG . LEU A 297 ? 0.8525 0.8489 0.8785 0.0270 0.0753 -0.0059 989 LEU A CG \n2318 C CD1 . LEU A 297 ? 0.8156 0.8254 0.8593 0.0258 0.0710 -0.0052 989 LEU A CD1 \n2319 C CD2 . LEU A 297 ? 0.6451 0.6285 0.6578 0.0276 0.0689 -0.0069 989 LEU A CD2 \n2320 N N . PRO A 298 ? 1.1030 1.0796 1.1047 0.0437 0.0898 -0.0130 990 PRO A N \n2321 C CA . PRO A 298 ? 1.1468 1.1222 1.1483 0.0503 0.0933 -0.0156 990 PRO A CA \n2322 C C . PRO A 298 ? 1.0815 1.0734 1.1044 0.0529 0.0936 -0.0159 990 PRO A C \n2323 O O . PRO A 298 ? 1.0015 1.0022 1.0364 0.0497 0.0877 -0.0144 990 PRO A O \n2324 C CB . PRO A 298 ? 1.1898 1.1517 1.1785 0.0512 0.0851 -0.0166 990 PRO A CB \n2325 C CG . PRO A 298 ? 1.1807 1.1329 1.1573 0.0455 0.0804 -0.0148 990 PRO A CG \n2326 C CD . PRO A 298 ? 1.0711 1.0358 1.0609 0.0408 0.0808 -0.0125 990 PRO A CD \n2327 N N . SER A 299 ? 1.0622 1.0578 1.0896 0.0588 0.1003 -0.0180 991 SER A N \n2328 C CA . SER A 299 ? 1.1644 1.1743 1.2115 0.0623 0.1002 -0.0186 991 SER A CA \n2329 C C . SER A 299 ? 1.1519 1.1608 1.2021 0.0615 0.0895 -0.0185 991 SER A C \n2330 O O . SER A 299 ? 1.1508 1.1469 1.1875 0.0628 0.0847 -0.0197 991 SER A O \n2331 C CB . SER A 299 ? 1.2245 1.2337 1.2715 0.0700 0.1071 -0.0215 991 SER A CB \n2332 O OG . SER A 299 ? 1.1389 1.1625 1.2062 0.0734 0.1071 -0.0220 991 SER A OG \n2333 N N . PRO A 300 ? 1.1896 1.2117 1.2568 0.0589 0.0858 -0.0169 992 PRO A N \n2334 C CA . PRO A 300 ? 1.1501 1.1718 1.2200 0.0570 0.0760 -0.0164 992 PRO A CA \n2335 C C . PRO A 300 ? 1.2577 1.2724 1.3232 0.0620 0.0723 -0.0187 992 PRO A C \n2336 O O . PRO A 300 ? 1.3139 1.3201 1.3708 0.0602 0.0650 -0.0186 992 PRO A O \n2337 C CB . PRO A 300 ? 1.0954 1.1331 1.1855 0.0551 0.0751 -0.0149 992 PRO A CB \n2338 C CG . PRO A 300 ? 1.1592 1.2041 1.2544 0.0534 0.0828 -0.0136 992 PRO A CG \n2339 C CD . PRO A 300 ? 1.2345 1.2721 1.3189 0.0575 0.0907 -0.0154 992 PRO A CD \n2340 N N . THR A 301 ? 1.0058 1.0240 1.0773 0.0682 0.0771 -0.0206 993 THR A N \n2341 C CA . THR A 301 ? 1.1309 1.1427 1.1992 0.0737 0.0734 -0.0229 993 THR A CA \n2342 C C . THR A 301 ? 1.3328 1.3273 1.3804 0.0766 0.0743 -0.0249 993 THR A C \n2343 O O . THR A 301 ? 1.3010 1.2870 1.3424 0.0803 0.0699 -0.0266 993 THR A O \n2344 C CB . THR A 301 ? 1.1084 1.1311 1.1929 0.0797 0.0772 -0.0244 993 THR A CB \n2345 O OG1 . THR A 301 ? 1.1895 1.2200 1.2798 0.0811 0.0873 -0.0244 993 THR A OG1 \n2346 C CG2 . THR A 301 ? 1.0346 1.0696 1.1366 0.0774 0.0714 -0.0228 993 THR A CG2 \n2347 N N . ASP A 302 ? 1.4030 1.3914 1.4392 0.0749 0.0797 -0.0246 994 ASP A N \n2348 C CA . ASP A 302 ? 1.2990 1.2692 1.3133 0.0765 0.0798 -0.0260 994 ASP A CA \n2349 C C . ASP A 302 ? 1.1727 1.1328 1.1756 0.0708 0.0706 -0.0244 994 ASP A C \n2350 O O . ASP A 302 ? 1.1835 1.1277 1.1680 0.0712 0.0686 -0.0252 994 ASP A O \n2351 C CB . ASP A 302 ? 1.3105 1.2771 1.3158 0.0767 0.0892 -0.0263 994 ASP A CB \n2352 C CG . ASP A 302 ? 1.3941 1.3683 1.4078 0.0831 0.0992 -0.0284 994 ASP A CG \n2353 O OD1 . ASP A 302 ? 1.2311 1.2166 1.2614 0.0869 0.0987 -0.0292 994 ASP A OD1 \n2354 O OD2 . ASP A 302 ? 1.2450 1.2140 1.2488 0.0844 0.1076 -0.0292 994 ASP A OD2 \n2355 N N . SER A 303 ? 1.0468 1.0163 1.0608 0.0657 0.0652 -0.0222 995 SER A N \n2356 C CA . SER A 303 ? 0.9300 0.8923 0.9361 0.0603 0.0567 -0.0206 995 SER A CA \n2357 C C . SER A 303 ? 0.9723 0.9255 0.9718 0.0626 0.0500 -0.0218 995 SER A C \n2358 O O . SER A 303 ? 0.9060 0.8628 0.9127 0.0671 0.0499 -0.0233 995 SER A O \n2359 C CB . SER A 303 ? 0.9694 0.9441 0.9893 0.0548 0.0530 -0.0182 995 SER A CB \n2360 O OG . SER A 303 ? 0.7121 0.6917 0.7406 0.0546 0.0469 -0.0181 995 SER A OG \n2361 N N . ASN A 304 ? 0.9182 0.8593 0.9039 0.0592 0.0440 -0.0210 996 ASN A N \n2362 C CA . ASN A 304 ? 0.9673 0.8986 0.9452 0.0599 0.0369 -0.0217 996 ASN A CA \n2363 C C . ASN A 304 ? 0.9795 0.9208 0.9711 0.0583 0.0316 -0.0208 996 ASN A C \n2364 O O . ASN A 304 ? 0.9483 0.8872 0.9406 0.0619 0.0290 -0.0222 996 ASN A O \n2365 C CB . ASN A 304 ? 0.8458 0.7637 0.8079 0.0554 0.0313 -0.0204 996 ASN A CB \n2366 C CG . ASN A 304 ? 0.9948 0.8992 0.9400 0.0576 0.0355 -0.0215 996 ASN A CG \n2367 O OD1 . ASN A 304 ? 0.9191 0.8199 0.8604 0.0636 0.0415 -0.0238 996 ASN A OD1 \n2368 N ND2 . ASN A 304 ? 0.8242 0.7209 0.7593 0.0528 0.0325 -0.0199 996 ASN A ND2 \n2369 N N . PHE A 305 ? 0.8717 0.8238 0.8738 0.0530 0.0301 -0.0187 997 PHE A N \n2370 C CA . PHE A 305 ? 0.5837 0.5446 0.5974 0.0506 0.0251 -0.0178 997 PHE A CA \n2371 C C . PHE A 305 ? 0.6597 0.6282 0.6849 0.0555 0.0270 -0.0191 997 PHE A C \n2372 O O . PHE A 305 ? 0.7922 0.7591 0.8187 0.0560 0.0217 -0.0193 997 PHE A O \n2373 C CB . PHE A 305 ? 0.6989 0.6702 0.7218 0.0449 0.0244 -0.0156 997 PHE A CB \n2374 C CG . PHE A 305 ? 0.5710 0.5466 0.5998 0.0411 0.0179 -0.0145 997 PHE A CG \n2375 C CD1 . PHE A 305 ? 0.5133 0.4985 0.5547 0.0421 0.0174 -0.0146 997 PHE A CD1 \n2376 C CD2 . PHE A 305 ? 0.6193 0.5889 0.6406 0.0364 0.0123 -0.0133 997 PHE A CD2 \n2377 C CE1 . PHE A 305 ? 0.4505 0.4383 0.4956 0.0385 0.0118 -0.0136 997 PHE A CE1 \n2378 C CE2 . PHE A 305 ? 0.6139 0.5873 0.6400 0.0328 0.0070 -0.0122 997 PHE A CE2 \n2379 C CZ . PHE A 305 ? 0.4722 0.4542 0.5094 0.0338 0.0069 -0.0124 997 PHE A CZ \n2380 N N . TYR A 306 ? 0.5537 0.5301 0.5872 0.0589 0.0342 -0.0198 998 TYR A N \n2381 C CA . TYR A 306 ? 0.6233 0.6085 0.6701 0.0635 0.0360 -0.0210 998 TYR A CA \n2382 C C . TYR A 306 ? 0.6620 0.6372 0.7016 0.0695 0.0342 -0.0233 998 TYR A C \n2383 O O . TYR A 306 ? 0.6307 0.6072 0.6756 0.0707 0.0291 -0.0236 998 TYR A O \n2384 C CB . TYR A 306 ? 0.6187 0.6147 0.6762 0.0658 0.0446 -0.0212 998 TYR A CB \n2385 C CG . TYR A 306 ? 0.6522 0.6584 0.7253 0.0704 0.0460 -0.0221 998 TYR A CG \n2386 C CD1 . TYR A 306 ? 0.7964 0.8152 0.8852 0.0677 0.0439 -0.0206 998 TYR A CD1 \n2387 C CD2 . TYR A 306 ? 0.8168 0.8194 0.8888 0.0777 0.0491 -0.0247 998 TYR A CD2 \n2388 C CE1 . TYR A 306 ? 0.8622 0.8901 0.9657 0.0717 0.0443 -0.0212 998 TYR A CE1 \n2389 C CE2 . TYR A 306 ? 0.8160 0.8283 0.9035 0.0822 0.0499 -0.0256 998 TYR A CE2 \n2390 C CZ . TYR A 306 ? 0.9878 1.0128 1.0913 0.0789 0.0472 -0.0237 998 TYR A CZ \n2391 O OH . TYR A 306 ? 1.0108 1.0453 1.1301 0.0831 0.0472 -0.0244 998 TYR A OH \n2392 N N . ARG A 307 ? 0.7174 0.6820 0.7441 0.0731 0.0381 -0.0250 999 ARG A N \n2393 C CA . ARG A 307 ? 0.8550 0.8086 0.8730 0.0794 0.0367 -0.0275 999 ARG A CA \n2394 C C . ARG A 307 ? 0.9285 0.8721 0.9382 0.0771 0.0269 -0.0270 999 ARG A C \n2395 O O . ARG A 307 ? 0.7012 0.6425 0.7131 0.0810 0.0233 -0.0283 999 ARG A O \n2396 C CB . ARG A 307 ? 0.9740 0.9158 0.9767 0.0830 0.0423 -0.0293 999 ARG A CB \n2397 C CG . ARG A 307 ? 0.9624 0.9122 0.9726 0.0881 0.0527 -0.0309 999 ARG A CG \n2398 C CD . ARG A 307 ? 1.1962 1.1316 1.1893 0.0932 0.0575 -0.0334 999 ARG A CD \n2399 N NE . ARG A 307 ? 1.2909 1.2335 1.2903 0.0984 0.0684 -0.0352 999 ARG A NE \n2400 C CZ . ARG A 307 ? 1.1736 1.1212 1.1823 0.1060 0.0723 -0.0377 999 ARG A CZ \n2401 N NH1 . ARG A 307 ? 1.0498 1.0047 1.0644 0.1101 0.0829 -0.0390 999 ARG A NH1 \n2402 N NH2 . ARG A 307 ? 0.9480 0.8934 0.9601 0.1095 0.0657 -0.0389 999 ARG A NH2 \n2403 N N . ALA A 308 ? 0.7442 0.6822 0.7448 0.0705 0.0226 -0.0250 1000 ALA A N \n2404 C CA . ALA A 308 ? 0.8914 0.8215 0.8849 0.0663 0.0134 -0.0238 1000 ALA A CA \n2405 C C . ALA A 308 ? 0.9300 0.8682 0.9354 0.0649 0.0086 -0.0230 1000 ALA A C \n2406 O O . ALA A 308 ? 0.8472 0.7773 0.8462 0.0638 0.0016 -0.0228 1000 ALA A O \n2407 C CB . ALA A 308 ? 0.5397 0.4677 0.5269 0.0589 0.0109 -0.0214 1000 ALA A CB \n2408 N N . LEU A 309 ? 0.5935 0.5469 0.6153 0.0647 0.0120 -0.0224 1001 LEU A N \n2409 C CA . LEU A 309 ? 0.5147 0.4758 0.5478 0.0631 0.0077 -0.0216 1001 LEU A CA \n2410 C C . LEU A 309 ? 0.6766 0.6404 0.7181 0.0698 0.0082 -0.0235 1001 LEU A C \n2411 O O . LEU A 309 ? 0.6805 0.6418 0.7232 0.0700 0.0020 -0.0235 1001 LEU A O \n2412 C CB . LEU A 309 ? 0.5725 0.5480 0.6186 0.0586 0.0101 -0.0197 1001 LEU A CB \n2413 C CG . LEU A 309 ? 0.5529 0.5297 0.5978 0.0510 0.0053 -0.0175 1001 LEU A CG \n2414 C CD1 . LEU A 309 ? 0.6187 0.5872 0.6508 0.0476 0.0047 -0.0167 1001 LEU A CD1 \n2415 C CD2 . LEU A 309 ? 0.5059 0.4968 0.5648 0.0481 0.0077 -0.0162 1001 LEU A CD2 \n2416 N N . MET A 310 ? 0.6670 0.6361 0.7145 0.0753 0.0156 -0.0251 1002 MET A N \n2417 C CA . MET A 310 ? 0.7759 0.7525 0.8369 0.0814 0.0172 -0.0266 1002 MET A CA \n2418 C C . MET A 310 ? 0.8752 0.8422 0.9299 0.0895 0.0178 -0.0296 1002 MET A C \n2419 O O . MET A 310 ? 0.7655 0.7355 0.8294 0.0943 0.0156 -0.0308 1002 MET A O \n2420 C CB . MET A 310 ? 0.7211 0.7130 0.7973 0.0821 0.0250 -0.0262 1002 MET A CB \n2421 C CG . MET A 310 ? 0.8481 0.8499 0.9318 0.0747 0.0244 -0.0234 1002 MET A CG \n2422 S SD . MET A 310 ? 0.8166 0.8200 0.9049 0.0698 0.0148 -0.0216 1002 MET A SD \n2423 C CE . MET A 310 ? 0.8744 0.8854 0.9788 0.0759 0.0136 -0.0229 1002 MET A CE \n2424 N N . ASP A 311 ? 0.9365 0.8916 0.9755 0.0912 0.0203 -0.0308 1003 ASP A N \n2425 C CA . ASP A 311 ? 1.1948 1.1396 1.2260 0.0994 0.0219 -0.0341 1003 ASP A CA \n2426 C C . ASP A 311 ? 1.1255 1.0573 1.1479 0.1012 0.0126 -0.0349 1003 ASP A C \n2427 O O . ASP A 311 ? 1.1393 1.0642 1.1587 0.1088 0.0129 -0.0378 1003 ASP A O \n2428 C CB . ASP A 311 ? 1.1500 1.0846 1.1655 0.1006 0.0275 -0.0352 1003 ASP A CB \n2429 C CG . ASP A 311 ? 1.2027 1.1484 1.2268 0.1027 0.0384 -0.0357 1003 ASP A CG \n2430 O OD1 . ASP A 311 ? 1.1370 1.0982 1.1768 0.0993 0.0407 -0.0338 1003 ASP A OD1 \n2431 O OD2 . ASP A 311 ? 1.4065 1.3447 1.4208 0.1075 0.0445 -0.0379 1003 ASP A OD2 \n2432 N N . GLU A 312 ? 1.0995 1.0280 1.1177 0.0941 0.0047 -0.0325 1004 GLU A N \n2433 C CA . GLU A 312 ? 1.2079 1.1246 1.2180 0.0943 -0.0045 -0.0327 1004 GLU A CA \n2434 C C . GLU A 312 ? 1.1771 1.0982 1.1993 0.1009 -0.0063 -0.0345 1004 GLU A C \n2435 O O . GLU A 312 ? 1.0493 0.9855 1.0893 0.1013 -0.0036 -0.0339 1004 GLU A O \n2436 C CB . GLU A 312 ? 1.2077 1.1246 1.2158 0.0850 -0.0114 -0.0294 1004 GLU A CB \n2437 C CG . GLU A 312 ? 1.2246 1.1282 1.2222 0.0836 -0.0212 -0.0291 1004 GLU A CG \n2438 C CD . GLU A 312 ? 1.3187 1.2237 1.3149 0.0741 -0.0269 -0.0258 1004 GLU A CD \n2439 O OE1 . GLU A 312 ? 1.0602 0.9566 1.0502 0.0721 -0.0348 -0.0252 1004 GLU A OE1 \n2440 O OE2 . GLU A 312 ? 1.0657 0.9800 1.0666 0.0687 -0.0234 -0.0240 1004 GLU A OE2 \n2441 N N . GLU A 313 ? 1.2401 1.1473 1.2526 0.1061 -0.0114 -0.0365 1005 GLU A N \n2442 C CA . GLU A 313 ? 1.3509 1.2601 1.3737 0.1134 -0.0139 -0.0386 1005 GLU A CA \n2443 C C . GLU A 313 ? 1.3670 1.2826 1.4002 0.1091 -0.0212 -0.0364 1005 GLU A C \n2444 O O . GLU A 313 ? 1.4257 1.3496 1.4739 0.1138 -0.0217 -0.0374 1005 GLU A O \n2445 C CB . GLU A 313 ? 1.3511 1.2418 1.3587 0.1197 -0.0184 -0.0413 1005 GLU A CB \n2446 C CG . GLU A 313 ? 1.4030 1.2900 1.4061 0.1280 -0.0100 -0.0447 1005 GLU A CG \n2447 C CD . GLU A 313 ? 1.4556 1.3215 1.4394 0.1332 -0.0146 -0.0473 1005 GLU A CD \n2448 O OE1 . GLU A 313 ? 1.2632 1.1232 1.2395 0.1395 -0.0079 -0.0501 1005 GLU A OE1 \n2449 O OE2 . GLU A 313 ? 1.3645 1.2187 1.3395 0.1308 -0.0248 -0.0464 1005 GLU A OE2 \n2450 N N . ASP A 314 ? 1.5115 1.4232 1.5368 0.1000 -0.0267 -0.0335 1006 ASP A N \n2451 C CA . ASP A 314 ? 1.5722 1.4894 1.6053 0.0947 -0.0330 -0.0311 1006 ASP A CA \n2452 C C . ASP A 314 ? 1.4561 1.3925 1.5094 0.0942 -0.0278 -0.0303 1006 ASP A C \n2453 O O . ASP A 314 ? 1.3729 1.3149 1.4371 0.0941 -0.0321 -0.0297 1006 ASP A O \n2454 C CB . ASP A 314 ? 1.5887 1.4996 1.6096 0.0848 -0.0378 -0.0282 1006 ASP A CB \n2455 C CG . ASP A 314 ? 1.5604 1.4523 1.5633 0.0840 -0.0461 -0.0283 1006 ASP A CG \n2456 O OD1 . ASP A 314 ? 1.4088 1.2927 1.4103 0.0902 -0.0506 -0.0302 1006 ASP A OD1 \n2457 O OD2 . ASP A 314 ? 1.4157 1.3007 1.4062 0.0771 -0.0484 -0.0264 1006 ASP A OD2 \n2458 N N . MET A 315 ? 1.2051 1.1505 1.2626 0.0935 -0.0190 -0.0302 1007 MET A N \n2459 C CA . MET A 315 ? 1.1385 1.1017 1.2148 0.0940 -0.0131 -0.0296 1007 MET A CA \n2460 C C . MET A 315 ? 1.2377 1.2057 1.3253 0.1037 -0.0090 -0.0325 1007 MET A C \n2461 O O . MET A 315 ? 1.3695 1.3422 1.4596 0.1075 -0.0003 -0.0339 1007 MET A O \n2462 C CB . MET A 315 ? 1.0381 1.0079 1.1136 0.0898 -0.0054 -0.0285 1007 MET A CB \n2463 C CG . MET A 315 ? 0.8406 0.8029 0.9019 0.0818 -0.0082 -0.0264 1007 MET A CG \n2464 S SD . MET A 315 ? 0.8532 0.8189 0.9172 0.0730 -0.0155 -0.0234 1007 MET A SD \n2465 C CE . MET A 315 ? 0.7163 0.7010 0.7988 0.0708 -0.0095 -0.0220 1007 MET A CE \n2466 N N . ASP A 316 ? 1.3918 1.3585 1.4860 0.1076 -0.0154 -0.0333 1008 ASP A N \n2467 C CA . ASP A 316 ? 1.3811 1.3507 1.4855 0.1176 -0.0130 -0.0363 1008 ASP A CA \n2468 C C . ASP A 316 ? 1.2967 1.2857 1.4229 0.1198 -0.0054 -0.0361 1008 ASP A C \n2469 O O . ASP A 316 ? 1.2923 1.2873 1.4204 0.1218 0.0041 -0.0370 1008 ASP A O \n2470 C CB . ASP A 316 ? 1.5407 1.5023 1.6457 0.1208 -0.0233 -0.0370 1008 ASP A CB \n2471 C CG . ASP A 316 ? 1.5026 1.4633 1.6144 0.1321 -0.0217 -0.0407 1008 ASP A CG \n2472 O OD1 . ASP A 316 ? 0.9855 0.9578 1.1165 0.1362 -0.0221 -0.0411 1008 ASP A OD1 \n2473 O OD2 . ASP A 316 ? 1.4722 1.4205 1.5703 0.1370 -0.0203 -0.0432 1008 ASP A OD2 \n2474 N N . ASP A 317 ? 1.2479 1.2462 1.3899 0.1192 -0.0101 -0.0349 1009 ASP A N \n2475 C CA . ASP A 317 ? 1.2146 1.2316 1.3785 0.1206 -0.0043 -0.0343 1009 ASP A CA \n2476 C C . ASP A 317 ? 1.1221 1.1469 1.2920 0.1116 -0.0074 -0.0308 1009 ASP A C \n2477 O O . ASP A 317 ? 0.8749 0.8976 1.0474 0.1092 -0.0163 -0.0295 1009 ASP A O \n2478 C CB . ASP A 317 ? 1.2222 1.2441 1.4022 0.1289 -0.0070 -0.0363 1009 ASP A CB \n2479 C CG . ASP A 317 ? 1.3698 1.3878 1.5478 0.1389 -0.0013 -0.0402 1009 ASP A CG \n2480 O OD1 . ASP A 317 ? 1.2606 1.2696 1.4365 0.1452 -0.0074 -0.0424 1009 ASP A OD1 \n2481 O OD2 . ASP A 317 ? 1.3719 1.3954 1.5501 0.1405 0.0093 -0.0411 1009 ASP A OD2 \n2482 N N . VAL A 318 ? 1.1107 1.1436 1.2818 0.1069 -0.0001 -0.0293 1010 VAL A N \n2483 C CA . VAL A 318 ? 0.9458 0.9838 1.1185 0.0980 -0.0025 -0.0261 1010 VAL A CA \n2484 C C . VAL A 318 ? 0.9217 0.9768 1.1124 0.0964 0.0032 -0.0246 1010 VAL A C \n2485 O O . VAL A 318 ? 0.9048 0.9681 1.1038 0.1007 0.0116 -0.0257 1010 VAL A O \n2486 C CB . VAL A 318 ? 0.9821 1.0111 1.1362 0.0917 -0.0015 -0.0251 1010 VAL A CB \n2487 C CG1 . VAL A 318 ? 1.0631 1.0754 1.2000 0.0916 -0.0088 -0.0259 1010 VAL A CG1 \n2488 C CG2 . VAL A 318 ? 0.9500 0.9808 1.0999 0.0932 0.0083 -0.0261 1010 VAL A CG2 \n2489 N N . VAL A 319 ? 0.7884 0.8483 0.9844 0.0900 -0.0012 -0.0220 1011 VAL A N \n2490 C CA . VAL A 319 ? 0.7216 0.7965 0.9330 0.0869 0.0028 -0.0200 1011 VAL A CA \n2491 C C . VAL A 319 ? 0.8856 0.9594 1.0883 0.0784 0.0028 -0.0178 1011 VAL A C \n2492 O O . VAL A 319 ? 0.7692 0.8361 0.9642 0.0738 -0.0042 -0.0167 1011 VAL A O \n2493 C CB . VAL A 319 ? 0.7737 0.8567 1.0028 0.0878 -0.0032 -0.0190 1011 VAL A CB \n2494 C CG1 . VAL A 319 ? 0.8115 0.9085 1.0547 0.0834 0.0001 -0.0166 1011 VAL A CG1 \n2495 C CG2 . VAL A 319 ? 0.6617 0.7479 0.9024 0.0967 -0.0028 -0.0212 1011 VAL A CG2 \n2496 N N . ASP A 320 ? 0.8943 0.9746 1.0983 0.0765 0.0108 -0.0171 1012 ASP A N \n2497 C CA . ASP A 320 ? 0.9051 0.9855 1.1025 0.0691 0.0117 -0.0152 1012 ASP A CA \n2498 C C . ASP A 320 ? 0.8442 0.9289 1.0489 0.0641 0.0053 -0.0130 1012 ASP A C \n2499 O O . ASP A 320 ? 0.7356 0.8291 0.9560 0.0656 0.0038 -0.0123 1012 ASP A O \n2500 C CB . ASP A 320 ? 0.9345 1.0230 1.1359 0.0685 0.0211 -0.0147 1012 ASP A CB \n2501 C CG . ASP A 320 ? 1.1620 1.2475 1.3527 0.0621 0.0224 -0.0133 1012 ASP A CG \n2502 O OD1 . ASP A 320 ? 1.2353 1.3109 1.4108 0.0617 0.0231 -0.0142 1012 ASP A OD1 \n2503 O OD2 . ASP A 320 ? 1.1828 1.2757 1.3807 0.0576 0.0226 -0.0114 1012 ASP A OD2 \n2504 N N . ALA A 321 ? 0.5800 0.6584 0.7737 0.0583 0.0016 -0.0120 1013 ALA A N \n2505 C CA . ALA A 321 ? 0.6606 0.7410 0.8583 0.0534 -0.0043 -0.0102 1013 ALA A CA \n2506 C C . ALA A 321 ? 0.7590 0.8517 0.9715 0.0514 -0.0017 -0.0084 1013 ALA A C \n2507 O O . ALA A 321 ? 0.7342 0.8301 0.9551 0.0497 -0.0072 -0.0071 1013 ALA A O \n2508 C CB . ALA A 321 ? 0.7095 0.7819 0.8927 0.0476 -0.0069 -0.0096 1013 ALA A CB \n2509 N N . ASP A 322 ? 0.6516 0.7502 0.8662 0.0513 0.0060 -0.0082 1014 ASP A N \n2510 C CA . ASP A 322 ? 0.8273 0.9376 1.0556 0.0493 0.0092 -0.0064 1014 ASP A CA \n2511 C C . ASP A 322 ? 0.8225 0.9420 1.0687 0.0536 0.0089 -0.0063 1014 ASP A C \n2512 O O . ASP A 322 ? 0.9168 1.0441 1.1756 0.0512 0.0063 -0.0044 1014 ASP A O \n2513 C CB . ASP A 322 ? 0.9484 1.0616 1.1736 0.0485 0.0179 -0.0063 1014 ASP A CB \n2514 C CG . ASP A 322 ? 0.9938 1.0991 1.2034 0.0441 0.0180 -0.0062 1014 ASP A CG \n2515 O OD1 . ASP A 322 ? 1.1208 1.2225 1.3216 0.0450 0.0234 -0.0071 1014 ASP A OD1 \n2516 O OD2 . ASP A 322 ? 1.0642 1.1666 1.2703 0.0398 0.0126 -0.0053 1014 ASP A OD2 \n2517 N N . GLU A 323 ? 0.7600 0.8784 1.0073 0.0599 0.0113 -0.0084 1015 GLU A N \n2518 C CA . GLU A 323 ? 0.9332 1.0605 1.1980 0.0651 0.0114 -0.0087 1015 GLU A CA \n2519 C C . GLU A 323 ? 0.8977 1.0222 1.1676 0.0658 0.0011 -0.0085 1015 GLU A C \n2520 O O . GLU A 323 ? 0.8178 0.9513 1.1049 0.0675 -0.0012 -0.0076 1015 GLU A O \n2521 C CB . GLU A 323 ? 0.9994 1.1254 1.2624 0.0723 0.0175 -0.0114 1015 GLU A CB \n2522 C CG . GLU A 323 ? 1.2026 1.3410 1.4854 0.0779 0.0213 -0.0119 1015 GLU A CG \n2523 C CD . GLU A 323 ? 1.3718 1.5076 1.6513 0.0854 0.0276 -0.0149 1015 GLU A CD \n2524 O OE1 . GLU A 323 ? 1.4469 1.5725 1.7086 0.0855 0.0310 -0.0163 1015 GLU A OE1 \n2525 O OE2 . GLU A 323 ? 1.4349 1.5786 1.7296 0.0915 0.0290 -0.0160 1015 GLU A OE2 \n2526 N N . TYR A 324 ? 0.7778 0.8895 1.0324 0.0642 -0.0050 -0.0091 1016 TYR A N \n2527 C CA . TYR A 324 ? 0.7955 0.9016 1.0509 0.0642 -0.0153 -0.0088 1016 TYR A CA \n2528 C C . TYR A 324 ? 0.8272 0.9353 1.0860 0.0577 -0.0208 -0.0063 1016 TYR A C \n2529 O O . TYR A 324 ? 0.9020 1.0115 1.1703 0.0581 -0.0279 -0.0054 1016 TYR A O \n2530 C CB . TYR A 324 ? 0.9663 1.0574 1.2032 0.0645 -0.0195 -0.0103 1016 TYR A CB \n2531 C CG . TYR A 324 ? 0.9966 1.0793 1.2290 0.0619 -0.0300 -0.0095 1016 TYR A CG \n2532 C CD1 . TYR A 324 ? 1.0568 1.1350 1.2801 0.0548 -0.0334 -0.0079 1016 TYR A CD1 \n2533 C CD2 . TYR A 324 ? 0.8997 0.9781 1.1360 0.0666 -0.0367 -0.0105 1016 TYR A CD2 \n2534 C CE1 . TYR A 324 ? 1.1146 1.1843 1.3324 0.0522 -0.0426 -0.0072 1016 TYR A CE1 \n2535 C CE2 . TYR A 324 ? 0.9442 1.0137 1.1751 0.0638 -0.0466 -0.0097 1016 TYR A CE2 \n2536 C CZ . TYR A 324 ? 1.1348 1.1998 1.3559 0.0564 -0.0493 -0.0080 1016 TYR A CZ \n2537 O OH . TYR A 324 ? 1.0923 1.1476 1.3063 0.0534 -0.0587 -0.0072 1016 TYR A OH \n2538 N N . LEU A 325 ? 0.8852 0.9924 1.1356 0.0521 -0.0179 -0.0052 1017 LEU A N \n2539 C CA . LEU A 325 ? 0.8728 0.9807 1.1242 0.0460 -0.0225 -0.0031 1017 LEU A CA \n2540 C C . LEU A 325 ? 0.8820 1.0022 1.1468 0.0439 -0.0178 -0.0013 1017 LEU A C \n2541 O O . LEU A 325 ? 0.9603 1.0889 1.2414 0.0449 -0.0201 0.0000 1017 LEU A O \n2542 C CB . LEU A 325 ? 1.1072 1.2053 1.3403 0.0410 -0.0233 -0.0031 1017 LEU A CB \n2543 C CG . LEU A 325 ? 1.3628 1.4608 1.5937 0.0346 -0.0258 -0.0014 1017 LEU A CG \n2544 C CD1 . LEU A 325 ? 1.4320 1.5260 1.6651 0.0327 -0.0351 -0.0003 1017 LEU A CD1 \n2545 C CD2 . LEU A 325 ? 1.2948 1.3856 1.5092 0.0310 -0.0236 -0.0020 1017 LEU A CD2 \n2546 C C1 . W32 B . ? 0.3488 0.3979 0.4502 -0.0021 -0.0090 -0.0069 1101 W32 A C1 \n2547 C C2 . W32 B . ? 0.3304 0.3824 0.4388 0.0006 -0.0086 -0.0068 1101 W32 A C2 \n2548 C C3 . W32 B . ? 0.3084 0.3425 0.3969 0.0079 -0.0063 -0.0070 1101 W32 A C3 \n2549 C C4 . W32 B . ? 0.3327 0.3768 0.4287 -0.0018 -0.0102 -0.0066 1101 W32 A C4 \n2550 C C5 . W32 B . ? 0.3174 0.3543 0.4079 0.0049 -0.0078 -0.0067 1101 W32 A C5 \n2551 C C6 . W32 B . ? 0.3119 0.3574 0.4166 0.0048 -0.0099 -0.0067 1101 W32 A C6 \n2552 C C7 . W32 B . ? 0.3057 0.3331 0.3928 0.0119 -0.0105 -0.0074 1101 W32 A C7 \n2553 C C8 . W32 B . ? 0.3558 0.3896 0.4565 0.0258 0.0003 -0.0094 1101 W32 A C8 \n2554 C C9 . W32 B . ? 0.4116 0.4324 0.4927 0.0225 -0.0010 -0.0092 1101 W32 A C9 \n2555 C C10 . W32 B . ? 0.2743 0.3251 0.3848 0.0040 -0.0089 -0.0066 1101 W32 A C10 \n2556 C C11 . W32 B . ? 0.3278 0.3571 0.4143 0.0114 -0.0073 -0.0074 1101 W32 A C11 \n2557 C C12 . W32 B . ? 0.3650 0.4069 0.4621 0.0017 -0.0109 -0.0066 1101 W32 A C12 \n2558 C C13 . W32 B . ? 0.3118 0.3462 0.4019 0.0051 -0.0108 -0.0067 1101 W32 A C13 \n2559 C C14 . W32 B . ? 0.3293 0.3590 0.4181 0.0086 -0.0125 -0.0070 1101 W32 A C14 \n2560 C C15 . W32 B . ? 0.3358 0.3580 0.4212 0.0274 0.0021 -0.0101 1101 W32 A C15 \n2561 C C16 . W32 B . ? 0.4117 0.4379 0.4987 0.0196 -0.0029 -0.0086 1101 W32 A C16 \n2562 C C17 . W32 B . ? 0.4094 0.4229 0.4802 0.0202 -0.0026 -0.0089 1101 W32 A C17 \n2563 C C18 . W32 B . ? 0.3766 0.3848 0.4408 0.0216 -0.0008 -0.0092 1101 W32 A C18 \n2564 C C19 . W32 B . ? 0.5119 0.5121 0.5659 0.0185 -0.0041 -0.0086 1101 W32 A C19 \n2565 C C20 . W32 B . ? 0.4085 0.4176 0.4743 0.0256 0.0042 -0.0100 1101 W32 A C20 \n2566 C C21 . W32 B . ? 0.3992 0.4070 0.4671 0.0306 0.0046 -0.0112 1101 W32 A C21 \n2567 C C22 . W32 B . ? 1.0864 1.0790 1.1254 0.0035 -0.0118 -0.0045 1101 W32 A C22 \n2568 C C23 . W32 B . ? 0.6635 0.6600 0.7102 0.0099 -0.0106 -0.0066 1101 W32 A C23 \n2569 C C24 . W32 B . ? 0.7736 0.7706 0.8194 0.0090 -0.0088 -0.0063 1101 W32 A C24 \n2570 C C25 . W32 B . ? 0.2907 0.3458 0.4100 0.0068 -0.0081 -0.0064 1101 W32 A C25 \n2571 N N26 . W32 B . ? 0.3345 0.3640 0.4305 0.0291 0.0030 -0.0102 1101 W32 A N26 \n2572 N N27 . W32 B . ? 0.3665 0.3987 0.4627 0.0212 -0.0024 -0.0087 1101 W32 A N27 \n2573 N N28 . W32 B . ? 0.3585 0.3756 0.4385 0.0312 0.0051 -0.0111 1101 W32 A N28 \n2574 N N29 . W32 B . ? 0.3213 0.3467 0.4044 0.0147 -0.0055 -0.0079 1101 W32 A N29 \n2575 N N30 . W32 B . ? 0.4898 0.4922 0.5444 0.0136 -0.0073 -0.0075 1101 W32 A N30 \n2576 O O31 . W32 B . ? 0.6301 0.6221 0.6755 0.0204 -0.0040 -0.0090 1101 W32 A O31 \n2577 O O32 . W32 B . ? 0.7976 0.7911 0.8373 0.0001 -0.0162 -0.0040 1101 W32 A O32 \n2578 O O33 . W32 B . ? 1.0303 1.0076 1.0557 0.0072 -0.0152 -0.0054 1101 W32 A O33 \n2579 O O34 . W32 B . ? 0.3399 0.3755 0.4303 0.0020 -0.0125 -0.0064 1101 W32 A O34 \n2580 F F35 . W32 B . ? 0.3839 0.4435 0.5071 0.0076 -0.0044 -0.0063 1101 W32 A F35 \n2581 F F36 . W32 B . ? 0.3739 0.4273 0.4947 0.0101 -0.0087 -0.0064 1101 W32 A F36 \n2582 F F37 . W32 B . ? 0.3464 0.4030 0.4690 0.0054 -0.0102 -0.0061 1101 W32 A F37 \n2583 S S38 . W32 B . ? 1.0567 1.0459 1.0932 0.0047 -0.0136 -0.0050 1101 W32 A S38 \n2584 CL CL1 . W32 B . ? 0.3946 0.4202 0.4828 0.0089 -0.0173 -0.0069 1101 W32 A CL1 \n# \nloop_\n_pdbx_poly_seq_scheme.asym_id \n_pdbx_poly_seq_scheme.entity_id \n_pdbx_poly_seq_scheme.seq_id \n_pdbx_poly_seq_scheme.mon_id \n_pdbx_poly_seq_scheme.ndb_seq_num \n_pdbx_poly_seq_scheme.pdb_seq_num \n_pdbx_poly_seq_scheme.auth_seq_num \n_pdbx_poly_seq_scheme.pdb_mon_id \n_pdbx_poly_seq_scheme.auth_mon_id \n_pdbx_poly_seq_scheme.pdb_strand_id \n_pdbx_poly_seq_scheme.pdb_ins_code \n_pdbx_poly_seq_scheme.hetero \nA 1 1 GLY 1 693 ? ? ? A . n \nA 1 2 ALA 2 694 ? ? ? A . n \nA 1 3 MET 3 695 ? ? ? A . n \nA 1 4 GLY 4 696 ? ? ? A . n \nA 1 5 GLU 5 697 ? ? ? A . n \nA 1 6 ALA 6 698 ? ? ? A . n \nA 1 7 PRO 7 699 ? ? ? A . n \nA 1 8 ASN 8 700 ? ? ? A . n \nA 1 9 GLN 9 701 701 GLN GLN A . n \nA 1 10 ALA 10 702 702 ALA ALA A . n \nA 1 11 LEU 11 703 703 LEU LEU A . n \nA 1 12 LEU 12 704 704 LEU LEU A . n \nA 1 13 ARG 13 705 705 ARG ARG A . n \nA 1 14 ILE 14 706 706 ILE ILE A . n \nA 1 15 LEU 15 707 707 LEU LEU A . n \nA 1 16 LYS 16 708 708 LYS LYS A . n \nA 1 17 GLU 17 709 709 GLU GLU A . n \nA 1 18 THR 18 710 710 THR THR A . n \nA 1 19 GLU 19 711 711 GLU GLU A . n \nA 1 20 PHE 20 712 712 PHE PHE A . n \nA 1 21 LYS 21 713 713 LYS LYS A . n \nA 1 22 LYS 22 714 714 LYS LYS A . n \nA 1 23 ILE 23 715 715 ILE ILE A . n \nA 1 24 LYS 24 716 716 LYS LYS A . n \nA 1 25 VAL 25 717 717 VAL VAL A . n \nA 1 26 LEU 26 718 718 LEU LEU A . n \nA 1 27 GLY 27 719 719 GLY GLY A . n \nA 1 28 SER 28 720 720 SER SER A . n \nA 1 29 GLY 29 721 721 GLY GLY A . n \nA 1 30 ALA 30 722 722 ALA ALA A . n \nA 1 31 PHE 31 723 723 PHE PHE A . n \nA 1 32 GLY 32 724 724 GLY GLY A . n \nA 1 33 THR 33 725 725 THR THR A . n \nA 1 34 VAL 34 726 726 VAL VAL A . n \nA 1 35 TYR 35 727 727 TYR TYR A . n \nA 1 36 LYS 36 728 728 LYS LYS A . n \nA 1 37 GLY 37 729 729 GLY GLY A . n \nA 1 38 LEU 38 730 730 LEU LEU A . n \nA 1 39 TRP 39 731 731 TRP TRP A . n \nA 1 40 ILE 40 732 732 ILE ILE A . n \nA 1 41 PRO 41 733 733 PRO PRO A . n \nA 1 42 GLU 42 734 734 GLU GLU A . n \nA 1 43 GLY 43 735 735 GLY GLY A . n \nA 1 44 GLU 44 736 736 GLU GLU A . n \nA 1 45 LYS 45 737 737 LYS LYS A . n \nA 1 46 VAL 46 738 738 VAL VAL A . n \nA 1 47 LYS 47 739 739 LYS LYS A . n \nA 1 48 ILE 48 740 740 ILE ILE A . n \nA 1 49 PRO 49 741 741 PRO PRO A . n \nA 1 50 VAL 50 742 742 VAL VAL A . n \nA 1 51 ALA 51 743 743 ALA ALA A . n \nA 1 52 ILE 52 744 744 ILE ILE A . n \nA 1 53 LYS 53 745 745 LYS LYS A . n \nA 1 54 GLU 54 746 746 GLU GLU A . n \nA 1 55 LEU 55 747 747 LEU LEU A . n \nA 1 56 ARG 56 748 748 ARG ARG A . n \nA 1 57 GLU 57 749 749 GLU GLU A . n \nA 1 58 ALA 58 750 750 ALA ALA A . n \nA 1 59 THR 59 751 751 THR THR A . n \nA 1 60 SER 60 752 752 SER SER A . n \nA 1 61 PRO 61 753 753 PRO PRO A . n \nA 1 62 LYS 62 754 754 LYS LYS A . n \nA 1 63 ALA 63 755 755 ALA ALA A . n \nA 1 64 ASN 64 756 756 ASN ASN A . n \nA 1 65 LYS 65 757 757 LYS LYS A . n \nA 1 66 GLU 66 758 758 GLU GLU A . n \nA 1 67 ILE 67 759 759 ILE ILE A . n \nA 1 68 LEU 68 760 760 LEU LEU A . n \nA 1 69 ASP 69 761 761 ASP ASP A . n \nA 1 70 GLU 70 762 762 GLU GLU A . n \nA 1 71 ALA 71 763 763 ALA ALA A . n \nA 1 72 TYR 72 764 764 TYR TYR A . n \nA 1 73 VAL 73 765 765 VAL VAL A . n \nA 1 74 MET 74 766 766 MET MET A . n \nA 1 75 ALA 75 767 767 ALA ALA A . n \nA 1 76 SER 76 768 768 SER SER A . n \nA 1 77 VAL 77 769 769 VAL VAL A . n \nA 1 78 ASP 78 770 770 ASP ASP A . n \nA 1 79 ASN 79 771 771 ASN ASN A . n \nA 1 80 PRO 80 772 772 PRO PRO A . n \nA 1 81 HIS 81 773 773 HIS HIS A . n \nA 1 82 VAL 82 774 774 VAL VAL A . n \nA 1 83 CYS 83 775 775 CYS CYS A . n \nA 1 84 ARG 84 776 776 ARG ARG A . n \nA 1 85 LEU 85 777 777 LEU LEU A . n \nA 1 86 LEU 86 778 778 LEU LEU A . n \nA 1 87 GLY 87 779 779 GLY GLY A . n \nA 1 88 ILE 88 780 780 ILE ILE A . n \nA 1 89 CYS 89 781 781 CYS CYS A . n \nA 1 90 LEU 90 782 782 LEU LEU A . n \nA 1 91 THR 91 783 783 THR THR A . n \nA 1 92 SER 92 784 784 SER SER A . n \nA 1 93 THR 93 785 785 THR THR A . n \nA 1 94 VAL 94 786 786 VAL VAL A . n \nA 1 95 GLN 95 787 787 GLN GLN A . n \nA 1 96 LEU 96 788 788 LEU LEU A . n \nA 1 97 ILE 97 789 789 ILE ILE A . n \nA 1 98 THR 98 790 790 THR THR A . n \nA 1 99 GLN 99 791 791 GLN GLN A . n \nA 1 100 LEU 100 792 792 LEU LEU A . n \nA 1 101 MET 101 793 793 MET MET A . n \nA 1 102 PRO 102 794 794 PRO PRO A . n \nA 1 103 PHE 103 795 795 PHE PHE A . n \nA 1 104 GLY 104 796 796 GLY GLY A . n \nA 1 105 CYS 105 797 797 CYS CYS A . n \nA 1 106 LEU 106 798 798 LEU LEU A . n \nA 1 107 LEU 107 799 799 LEU LEU A . n \nA 1 108 ASP 108 800 800 ASP ASP A . n \nA 1 109 TYR 109 801 801 TYR TYR A . n \nA 1 110 VAL 110 802 802 VAL VAL A . n \nA 1 111 ARG 111 803 803 ARG ARG A . n \nA 1 112 GLU 112 804 804 GLU GLU A . n \nA 1 113 HIS 113 805 805 HIS HIS A . n \nA 1 114 LYS 114 806 806 LYS LYS A . n \nA 1 115 ASP 115 807 807 ASP ASP A . n \nA 1 116 ASN 116 808 808 ASN ASN A . n \nA 1 117 ILE 117 809 809 ILE ILE A . n \nA 1 118 GLY 118 810 810 GLY GLY A . n \nA 1 119 SER 119 811 811 SER SER A . n \nA 1 120 GLN 120 812 812 GLN GLN A . n \nA 1 121 TYR 121 813 813 TYR TYR A . n \nA 1 122 LEU 122 814 814 LEU LEU A . n \nA 1 123 LEU 123 815 815 LEU LEU A . n \nA 1 124 ASN 124 816 816 ASN ASN A . n \nA 1 125 TRP 125 817 817 TRP TRP A . n \nA 1 126 CYS 126 818 818 CYS CYS A . n \nA 1 127 VAL 127 819 819 VAL VAL A . n \nA 1 128 GLN 128 820 820 GLN GLN A . n \nA 1 129 ILE 129 821 821 ILE ILE A . n \nA 1 130 ALA 130 822 822 ALA ALA A . n \nA 1 131 LYS 131 823 823 LYS LYS A . n \nA 1 132 GLY 132 824 824 GLY GLY A . n \nA 1 133 MET 133 825 825 MET MET A . n \nA 1 134 ASN 134 826 826 ASN ASN A . n \nA 1 135 TYR 135 827 827 TYR TYR A . n \nA 1 136 LEU 136 828 828 LEU LEU A . n \nA 1 137 GLU 137 829 829 GLU GLU A . n \nA 1 138 ASP 138 830 830 ASP ASP A . n \nA 1 139 ARG 139 831 831 ARG ARG A . n \nA 1 140 ARG 140 832 832 ARG ARG A . n \nA 1 141 LEU 141 833 833 LEU LEU A . n \nA 1 142 VAL 142 834 834 VAL VAL A . n \nA 1 143 HIS 143 835 835 HIS HIS A . n \nA 1 144 ARG 144 836 836 ARG ARG A . n \nA 1 145 ASP 145 837 837 ASP ASP A . n \nA 1 146 LEU 146 838 838 LEU LEU A . n \nA 1 147 ALA 147 839 839 ALA ALA A . n \nA 1 148 ALA 148 840 840 ALA ALA A . n \nA 1 149 ARG 149 841 841 ARG ARG A . n \nA 1 150 ASN 150 842 842 ASN ASN A . n \nA 1 151 VAL 151 843 843 VAL VAL A . n \nA 1 152 LEU 152 844 844 LEU LEU A . n \nA 1 153 VAL 153 845 845 VAL VAL A . n \nA 1 154 LYS 154 846 846 LYS LYS A . n \nA 1 155 THR 155 847 847 THR THR A . n \nA 1 156 PRO 156 848 848 PRO PRO A . n \nA 1 157 GLN 157 849 849 GLN GLN A . n \nA 1 158 HIS 158 850 850 HIS HIS A . n \nA 1 159 VAL 159 851 851 VAL VAL A . n \nA 1 160 LYS 160 852 852 LYS LYS A . n \nA 1 161 ILE 161 853 853 ILE ILE A . n \nA 1 162 THR 162 854 854 THR THR A . n \nA 1 163 ASP 163 855 855 ASP ASP A . n \nA 1 164 PHE 164 856 856 PHE PHE A . n \nA 1 165 GLY 165 857 857 GLY GLY A . n \nA 1 166 LEU 166 858 858 LEU LEU A . n \nA 1 167 ALA 167 859 859 ALA ALA A . n \nA 1 168 LYS 168 860 860 LYS LYS A . n \nA 1 169 LEU 169 861 861 LEU LEU A . n \nA 1 170 LEU 170 862 862 LEU LEU A . n \nA 1 171 GLY 171 863 863 GLY GLY A . n \nA 1 172 ALA 172 864 864 ALA ALA A . n \nA 1 173 GLU 173 865 865 GLU GLU A . n \nA 1 174 GLU 174 866 866 GLU GLU A . n \nA 1 175 LYS 175 867 867 LYS LYS A . n \nA 1 176 GLU 176 868 868 GLU GLU A . n \nA 1 177 TYR 177 869 869 TYR TYR A . n \nA 1 178 HIS 178 870 870 HIS HIS A . n \nA 1 179 ALA 179 871 871 ALA ALA A . n \nA 1 180 GLU 180 872 872 GLU GLU A . n \nA 1 181 GLY 181 873 873 GLY GLY A . n \nA 1 182 GLY 182 874 874 GLY GLY A . n \nA 1 183 LYS 183 875 875 LYS LYS A . n \nA 1 184 VAL 184 876 876 VAL VAL A . n \nA 1 185 PRO 185 877 877 PRO PRO A . n \nA 1 186 ILE 186 878 878 ILE ILE A . n \nA 1 187 LYS 187 879 879 LYS LYS A . n \nA 1 188 TRP 188 880 880 TRP TRP A . n \nA 1 189 MET 189 881 881 MET MET A . n \nA 1 190 ALA 190 882 882 ALA ALA A . n \nA 1 191 LEU 191 883 883 LEU LEU A . n \nA 1 192 GLU 192 884 884 GLU GLU A . n \nA 1 193 SER 193 885 885 SER SER A . n \nA 1 194 ILE 194 886 886 ILE ILE A . n \nA 1 195 LEU 195 887 887 LEU LEU A . n \nA 1 196 HIS 196 888 888 HIS HIS A . n \nA 1 197 ARG 197 889 889 ARG ARG A . n \nA 1 198 ILE 198 890 890 ILE ILE A . n \nA 1 199 TYR 199 891 891 TYR TYR A . n \nA 1 200 THR 200 892 892 THR THR A . n \nA 1 201 HIS 201 893 893 HIS HIS A . n \nA 1 202 GLN 202 894 894 GLN GLN A . n \nA 1 203 SER 203 895 895 SER SER A . n \nA 1 204 ASP 204 896 896 ASP ASP A . n \nA 1 205 VAL 205 897 897 VAL VAL A . n \nA 1 206 TRP 206 898 898 TRP TRP A . n \nA 1 207 SER 207 899 899 SER SER A . n \nA 1 208 TYR 208 900 900 TYR TYR A . n \nA 1 209 GLY 209 901 901 GLY GLY A . n \nA 1 210 VAL 210 902 902 VAL VAL A . n \nA 1 211 THR 211 903 903 THR THR A . n \nA 1 212 VAL 212 904 904 VAL VAL A . n \nA 1 213 TRP 213 905 905 TRP TRP A . n \nA 1 214 GLU 214 906 906 GLU GLU A . n \nA 1 215 LEU 215 907 907 LEU LEU A . n \nA 1 216 MET 216 908 908 MET MET A . n \nA 1 217 THR 217 909 909 THR THR A . n \nA 1 218 PHE 218 910 910 PHE PHE A . n \nA 1 219 GLY 219 911 911 GLY GLY A . n \nA 1 220 SER 220 912 912 SER SER A . n \nA 1 221 LYS 221 913 913 LYS LYS A . n \nA 1 222 PRO 222 914 914 PRO PRO A . n \nA 1 223 TYR 223 915 915 TYR TYR A . n \nA 1 224 ASP 224 916 916 ASP ASP A . n \nA 1 225 GLY 225 917 917 GLY GLY A . n \nA 1 226 ILE 226 918 918 ILE ILE A . n \nA 1 227 PRO 227 919 919 PRO PRO A . n \nA 1 228 ALA 228 920 920 ALA ALA A . n \nA 1 229 SER 229 921 921 SER SER A . n \nA 1 230 GLU 230 922 922 GLU GLU A . n \nA 1 231 ILE 231 923 923 ILE ILE A . n \nA 1 232 SER 232 924 924 SER SER A . n \nA 1 233 SER 233 925 925 SER SER A . n \nA 1 234 ILE 234 926 926 ILE ILE A . n \nA 1 235 LEU 235 927 927 LEU LEU A . n \nA 1 236 GLU 236 928 928 GLU GLU A . n \nA 1 237 LYS 237 929 929 LYS LYS A . n \nA 1 238 GLY 238 930 930 GLY GLY A . n \nA 1 239 GLU 239 931 931 GLU GLU A . n \nA 1 240 ARG 240 932 932 ARG ARG A . n \nA 1 241 LEU 241 933 933 LEU LEU A . n \nA 1 242 PRO 242 934 934 PRO PRO A . n \nA 1 243 GLN 243 935 935 GLN GLN A . n \nA 1 244 PRO 244 936 936 PRO PRO A . n \nA 1 245 PRO 245 937 937 PRO PRO A . n \nA 1 246 ILE 246 938 938 ILE ILE A . n \nA 1 247 CYS 247 939 939 CYS CYS A . n \nA 1 248 THR 248 940 940 THR THR A . n \nA 1 249 ILE 249 941 941 ILE ILE A . n \nA 1 250 ASP 250 942 942 ASP ASP A . n \nA 1 251 VAL 251 943 943 VAL VAL A . n \nA 1 252 TYR 252 944 944 TYR TYR A . n \nA 1 253 MET 253 945 945 MET MET A . n \nA 1 254 ILE 254 946 946 ILE ILE A . n \nA 1 255 MET 255 947 947 MET MET A . n \nA 1 256 VAL 256 948 948 VAL VAL A . n \nA 1 257 LYS 257 949 949 LYS LYS A . n \nA 1 258 CYS 258 950 950 CYS CYS A . n \nA 1 259 TRP 259 951 951 TRP TRP A . n \nA 1 260 MET 260 952 952 MET MET A . n \nA 1 261 ILE 261 953 953 ILE ILE A . n \nA 1 262 ASP 262 954 954 ASP ASP A . n \nA 1 263 ALA 263 955 955 ALA ALA A . n \nA 1 264 ASP 264 956 956 ASP ASP A . n \nA 1 265 SER 265 957 957 SER SER A . n \nA 1 266 ARG 266 958 958 ARG ARG A . n \nA 1 267 PRO 267 959 959 PRO PRO A . n \nA 1 268 LYS 268 960 960 LYS LYS A . n \nA 1 269 PHE 269 961 961 PHE PHE A . n \nA 1 270 ARG 270 962 962 ARG ARG A . n \nA 1 271 GLU 271 963 963 GLU GLU A . n \nA 1 272 LEU 272 964 964 LEU LEU A . n \nA 1 273 ILE 273 965 965 ILE ILE A . n \nA 1 274 ILE 274 966 966 ILE ILE A . n \nA 1 275 GLU 275 967 967 GLU GLU A . n \nA 1 276 PHE 276 968 968 PHE PHE A . n \nA 1 277 SER 277 969 969 SER SER A . n \nA 1 278 LYS 278 970 970 LYS LYS A . n \nA 1 279 MET 279 971 971 MET MET A . n \nA 1 280 ALA 280 972 972 ALA ALA A . n \nA 1 281 ARG 281 973 973 ARG ARG A . n \nA 1 282 ASP 282 974 974 ASP ASP A . n \nA 1 283 PRO 283 975 975 PRO PRO A . n \nA 1 284 GLN 284 976 976 GLN GLN A . n \nA 1 285 ARG 285 977 977 ARG ARG A . n \nA 1 286 TYR 286 978 978 TYR TYR A . n \nA 1 287 LEU 287 979 979 LEU LEU A . n \nA 1 288 VAL 288 980 980 VAL VAL A . n \nA 1 289 ILE 289 981 981 ILE ILE A . n \nA 1 290 GLN 290 982 982 GLN GLN A . n \nA 1 291 GLY 291 983 983 GLY GLY A . n \nA 1 292 ASP 292 984 984 ASP ASP A . n \nA 1 293 GLU 293 985 985 GLU GLU A . n \nA 1 294 ARG 294 986 986 ARG ARG A . n \nA 1 295 MET 295 987 987 MET MET A . n \nA 1 296 HIS 296 988 988 HIS HIS A . n \nA 1 297 LEU 297 989 989 LEU LEU A . n \nA 1 298 PRO 298 990 990 PRO PRO A . n \nA 1 299 SER 299 991 991 SER SER A . n \nA 1 300 PRO 300 992 992 PRO PRO A . n \nA 1 301 THR 301 993 993 THR THR A . n \nA 1 302 ASP 302 994 994 ASP ASP A . n \nA 1 303 SER 303 995 995 SER SER A . n \nA 1 304 ASN 304 996 996 ASN ASN A . n \nA 1 305 PHE 305 997 997 PHE PHE A . n \nA 1 306 TYR 306 998 998 TYR TYR A . n \nA 1 307 ARG 307 999 999 ARG ARG A . n \nA 1 308 ALA 308 1000 1000 ALA ALA A . n \nA 1 309 LEU 309 1001 1001 LEU LEU A . n \nA 1 310 MET 310 1002 1002 MET MET A . n \nA 1 311 ASP 311 1003 1003 ASP ASP A . n \nA 1 312 GLU 312 1004 1004 GLU GLU A . n \nA 1 313 GLU 313 1005 1005 GLU GLU A . n \nA 1 314 ASP 314 1006 1006 ASP ASP A . n \nA 1 315 MET 315 1007 1007 MET MET A . n \nA 1 316 ASP 316 1008 1008 ASP ASP A . n \nA 1 317 ASP 317 1009 1009 ASP ASP A . n \nA 1 318 VAL 318 1010 1010 VAL VAL A . n \nA 1 319 VAL 319 1011 1011 VAL VAL A . n \nA 1 320 ASP 320 1012 1012 ASP ASP A . n \nA 1 321 ALA 321 1013 1013 ALA ALA A . n \nA 1 322 ASP 322 1014 1014 ASP ASP A . n \nA 1 323 GLU 323 1015 1015 GLU GLU A . n \nA 1 324 TYR 324 1016 1016 TYR TYR A . n \nA 1 325 LEU 325 1017 1017 LEU LEU A . n \nA 1 326 ILE 326 1018 ? ? ? A . n \nA 1 327 PRO 327 1019 ? ? ? A . n \nA 1 328 GLN 328 1020 ? ? ? A . n \nA 1 329 GLN 329 1021 ? ? ? A . n \nA 1 330 GLY 330 1022 ? ? ? A . n \n# \n_pdbx_struct_assembly.id 1 \n_pdbx_struct_assembly.details author_and_software_defined_assembly \n_pdbx_struct_assembly.method_details PISA \n_pdbx_struct_assembly.oligomeric_details monomeric \n_pdbx_struct_assembly.oligomeric_count 1 \n# \n_pdbx_struct_assembly_gen.assembly_id 1 \n_pdbx_struct_assembly_gen.oper_expression 1 \n_pdbx_struct_assembly_gen.asym_id_list A,B,C,D \n# \n_pdbx_struct_oper_list.id 1 \n_pdbx_struct_oper_list.type 'identity operation' \n_pdbx_struct_oper_list.name 1_555 \n_pdbx_struct_oper_list.symmetry_operation x,y,z \n_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 \n_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 \n_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 \n_pdbx_struct_oper_list.vector[3] 0.0000000000 \n# \nloop_\n_pdbx_audit_revision_history.ordinal \n_pdbx_audit_revision_history.data_content_type \n_pdbx_audit_revision_history.major_revision \n_pdbx_audit_revision_history.minor_revision \n_pdbx_audit_revision_history.revision_date \n1 'Structure model' 1 0 2013-03-06 \n2 'Structure model' 1 1 2013-08-14 \n# \n_pdbx_audit_revision_details.ordinal 1 \n_pdbx_audit_revision_details.revision_ordinal 1 \n_pdbx_audit_revision_details.data_content_type 'Structure model' \n_pdbx_audit_revision_details.provider repository \n_pdbx_audit_revision_details.type 'Initial release' \n_pdbx_audit_revision_details.description ? \n# \n_pdbx_audit_revision_group.ordinal 1 \n_pdbx_audit_revision_group.revision_ordinal 2 \n_pdbx_audit_revision_group.data_content_type 'Structure model' \n_pdbx_audit_revision_group.group 'Database references' \n# \n_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' \n_pdbx_refine_tls.id 1 \n_pdbx_refine_tls.details ? \n_pdbx_refine_tls.method refined \n_pdbx_refine_tls.origin_x 18.7873 \n_pdbx_refine_tls.origin_y 25.9155 \n_pdbx_refine_tls.origin_z 14.3167 \n_pdbx_refine_tls.T[1][1] 0.0200 \n_pdbx_refine_tls.T[2][2] 0.0753 \n_pdbx_refine_tls.T[3][3] 0.1267 \n_pdbx_refine_tls.T[1][2] 0.0062 \n_pdbx_refine_tls.T[1][3] 0.0065 \n_pdbx_refine_tls.T[2][3] -0.0066 \n_pdbx_refine_tls.L[1][1] 0.1474 \n_pdbx_refine_tls.L[2][2] 0.8224 \n_pdbx_refine_tls.L[3][3] 0.5626 \n_pdbx_refine_tls.L[1][2] 0.1030 \n_pdbx_refine_tls.L[1][3] 0.2626 \n_pdbx_refine_tls.L[2][3] -0.0418 \n_pdbx_refine_tls.S[1][1] -0.0344 \n_pdbx_refine_tls.S[1][2] -0.0030 \n_pdbx_refine_tls.S[1][3] -0.0099 \n_pdbx_refine_tls.S[2][1] 0.0695 \n_pdbx_refine_tls.S[2][2] 0.0195 \n_pdbx_refine_tls.S[2][3] 0.0685 \n_pdbx_refine_tls.S[3][1] -0.0921 \n_pdbx_refine_tls.S[3][2] -0.0269 \n_pdbx_refine_tls.S[3][3] 0.0149 \n# \nloop_\n_pdbx_refine_tls_group.pdbx_refine_id \n_pdbx_refine_tls_group.id \n_pdbx_refine_tls_group.refine_tls_id \n_pdbx_refine_tls_group.beg_auth_asym_id \n_pdbx_refine_tls_group.beg_auth_seq_id \n_pdbx_refine_tls_group.beg_label_asym_id \n_pdbx_refine_tls_group.beg_label_seq_id \n_pdbx_refine_tls_group.end_auth_asym_id \n_pdbx_refine_tls_group.end_auth_seq_id \n_pdbx_refine_tls_group.end_label_asym_id \n_pdbx_refine_tls_group.end_label_seq_id \n_pdbx_refine_tls_group.selection \n_pdbx_refine_tls_group.selection_details \n'X-RAY DIFFRACTION' 1 1 A 701 ? ? A 1017 ? ? ? ? \n'X-RAY DIFFRACTION' 2 1 A 1101 ? ? A 1101 ? ? ? ? \n# \nloop_\n_software.name \n_software.classification \n_software.version \n_software.citation_id \n_software.pdbx_ordinal \nADSC 'data collection' Quantum ? 1 \nMOLREP phasing . ? 2 \nREFMAC refinement 5.7.0029 ? 3 \nHKL-2000 'data reduction' . ? 4 \nHKL-2000 'data scaling' . ? 5 \n# \nloop_\n_pdbx_validate_torsion.id \n_pdbx_validate_torsion.PDB_model_num \n_pdbx_validate_torsion.auth_comp_id \n_pdbx_validate_torsion.auth_asym_id \n_pdbx_validate_torsion.auth_seq_id \n_pdbx_validate_torsion.PDB_ins_code \n_pdbx_validate_torsion.label_alt_id \n_pdbx_validate_torsion.phi \n_pdbx_validate_torsion.psi \n1 1 LEU A 718 ? ? -97.29 -61.72 \n2 1 THR A 783 ? ? -137.24 -130.68 \n3 1 ARG A 836 ? ? 76.05 -4.36 \n4 1 ASP A 837 ? ? -148.74 39.52 \n5 1 ARG A 986 ? ? -100.19 60.75 \n6 1 ASP A 1008 ? ? -70.75 -90.39 \n# \nloop_\n_pdbx_unobs_or_zero_occ_residues.id \n_pdbx_unobs_or_zero_occ_residues.PDB_model_num \n_pdbx_unobs_or_zero_occ_residues.polymer_flag \n_pdbx_unobs_or_zero_occ_residues.occupancy_flag \n_pdbx_unobs_or_zero_occ_residues.auth_asym_id \n_pdbx_unobs_or_zero_occ_residues.auth_comp_id \n_pdbx_unobs_or_zero_occ_residues.auth_seq_id \n_pdbx_unobs_or_zero_occ_residues.PDB_ins_code \n_pdbx_unobs_or_zero_occ_residues.label_asym_id \n_pdbx_unobs_or_zero_occ_residues.label_comp_id \n_pdbx_unobs_or_zero_occ_residues.label_seq_id \n1 1 Y 1 A GLY 693 ? A GLY 1 \n2 1 Y 1 A ALA 694 ? A ALA 2 \n3 1 Y 1 A MET 695 ? A MET 3 \n4 1 Y 1 A GLY 696 ? A GLY 4 \n5 1 Y 1 A GLU 697 ? A GLU 5 \n6 1 Y 1 A ALA 698 ? A ALA 6 \n7 1 Y 1 A PRO 699 ? A PRO 7 \n8 1 Y 1 A ASN 700 ? A ASN 8 \n9 1 Y 1 A ILE 1018 ? A ILE 326 \n10 1 Y 1 A PRO 1019 ? A PRO 327 \n11 1 Y 1 A GLN 1020 ? A GLN 328 \n12 1 Y 1 A GLN 1021 ? A GLN 329 \n13 1 Y 1 A GLY 1022 ? A GLY 330 \n# \nloop_\n_pdbx_entity_nonpoly.entity_id \n_pdbx_entity_nonpoly.name \n_pdbx_entity_nonpoly.comp_id \n2 \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\nW32 \n3 'SULFATE ION' SO4 \n4 water HOH \n# \nloop_\n_pdbx_nonpoly_scheme.asym_id \n_pdbx_nonpoly_scheme.entity_id \n_pdbx_nonpoly_scheme.mon_id \n_pdbx_nonpoly_scheme.ndb_seq_num \n_pdbx_nonpoly_scheme.pdb_seq_num \n_pdbx_nonpoly_scheme.auth_seq_num \n_pdbx_nonpoly_scheme.pdb_mon_id \n_pdbx_nonpoly_scheme.auth_mon_id \n_pdbx_nonpoly_scheme.pdb_strand_id \n_pdbx_nonpoly_scheme.pdb_ins_code \nB 2 W32 1 1101 1101 W32 LIG A . \nC 3 SO4 1 1102 1102 SO4 SO4 A . \nD 4 HOH 1 2001 2001 HOH HOH A . \nD 4 HOH 2 2002 2002 HOH HOH A . \nD 4 HOH 3 2003 2003 HOH HOH A . \nD 4 HOH 4 2004 2004 HOH HOH A . \nD 4 HOH 5 2005 2005 HOH HOH A . \nD 4 HOH 6 2006 2006 HOH HOH A . \nD 4 HOH 7 2007 2007 HOH HOH A . \nD 4 HOH 8 2008 2008 HOH HOH A . \nD 4 HOH 9 2009 2009 HOH HOH A . \nD 4 HOH 10 2010 2010 HOH HOH A . \nD 4 HOH 11 2011 2011 HOH HOH A . \nD 4 HOH 12 2012 2012 HOH HOH A . \nD 4 HOH 13 2013 2013 HOH HOH A . \nD 4 HOH 14 2014 2014 HOH HOH A . \nD 4 HOH 15 2015 2015 HOH HOH A . \nD 4 HOH 16 2016 2016 HOH HOH A . \nD 4 HOH 17 2017 2017 HOH HOH A . \nD 4 HOH 18 2018 2018 HOH HOH A . \nD 4 HOH 19 2019 2019 HOH HOH A . \nD 4 HOH 20 2020 2020 HOH HOH A . \nD 4 HOH 21 2021 2021 HOH HOH A . \nD 4 HOH 22 2022 2022 HOH HOH A . \nD 4 HOH 23 2023 2023 HOH HOH A . \nD 4 HOH 24 2024 2024 HOH HOH A . \nD 4 HOH 25 2025 2025 HOH HOH A . \nD 4 HOH 26 2026 2026 HOH HOH A . \nD 4 HOH 27 2027 2027 HOH HOH A . \nD 4 HOH 28 2028 2028 HOH HOH A . \nD 4 HOH 29 2029 2029 HOH HOH A . \nD 4 HOH 30 2030 2030 HOH HOH A . \nD 4 HOH 31 2031 2031 HOH HOH A . \nD 4 HOH 32 2032 2032 HOH HOH A . \nD 4 HOH 33 2033 2033 HOH HOH A . \nD 4 HOH 34 2034 2034 HOH HOH A . \nD 4 HOH 35 2035 2035 HOH HOH A . \nD 4 HOH 36 2036 2036 HOH HOH A . \nD 4 HOH 37 2037 2037 HOH HOH A . \nD 4 HOH 38 2038 2038 HOH HOH A . \nD 4 HOH 39 2039 2039 HOH HOH A . \nD 4 HOH 40 2040 2040 HOH HOH A . \nD 4 HOH 41 2041 2041 HOH HOH A . \nD 4 HOH 42 2042 2042 HOH HOH A . \nD 4 HOH 43 2043 2043 HOH HOH A . \nD 4 HOH 44 2044 2044 HOH HOH A . \nD 4 HOH 45 2045 2045 HOH HOH A . \nD 4 HOH 46 2046 2046 HOH HOH A . \nD 4 HOH 47 2047 2047 HOH HOH A . \nD 4 HOH 48 2048 2048 HOH HOH A . \nD 4 HOH 49 2049 2049 HOH HOH A . \nD 4 HOH 50 2050 2050 HOH HOH A . \nD 4 HOH 51 2051 2051 HOH HOH A . \nD 4 HOH 52 2052 2052 HOH HOH A . \nD 4 HOH 53 2053 2053 HOH HOH A . \nD 4 HOH 54 2054 2054 HOH HOH A . \nD 4 HOH 55 2055 2055 HOH HOH A . \nD 4 HOH 56 2056 2056 HOH HOH A . \nD 4 HOH 57 2057 2057 HOH HOH A . \nD 4 HOH 58 2058 2058 HOH HOH A . \nD 4 HOH 59 2059 2059 HOH HOH A . \nD 4 HOH 60 2060 2060 HOH HOH A . \nD 4 HOH 61 2061 2061 HOH HOH A . \nD 4 HOH 62 2062 2062 HOH HOH A . \nD 4 HOH 63 2063 2063 HOH HOH A . \nD 4 HOH 64 2064 2064 HOH HOH A . \nD 4 HOH 65 2065 2065 HOH HOH A . \nD 4 HOH 66 2066 2066 HOH HOH A . \nD 4 HOH 67 2067 2067 HOH HOH A . \nD 4 HOH 68 2068 2068 HOH HOH A . \nD 4 HOH 69 2069 2069 HOH HOH A . \nD 4 HOH 70 2070 2070 HOH HOH A . \nD 4 HOH 71 2071 2071 HOH HOH A . \nD 4 HOH 72 2072 2072 HOH HOH A . \nD 4 HOH 73 2073 2073 HOH HOH A . \nD 4 HOH 74 2074 2074 HOH HOH A . \nD 4 HOH 75 2075 2075 HOH HOH A . \nD 4 HOH 76 2076 2076 HOH HOH A . \nD 4 HOH 77 2077 2077 HOH HOH A . \nD 4 HOH 78 2078 2078 HOH HOH A . \nD 4 HOH 79 2079 2079 HOH HOH A . \nD 4 HOH 80 2080 2080 HOH HOH A . \nD 4 HOH 81 2081 2081 HOH HOH A . \nD 4 HOH 82 2082 2082 HOH HOH A . \n# \n",
+ "type": "blob"
+ }
+ ],
+ "kwargs": {
+ "defaultRepresentation": true,
+ "ext": "cif",
+ "height": "600px"
+ },
+ "methodName": "loadFile",
+ "reconstruc_color_scheme": false,
+ "target": "Stage",
+ "type": "call_method"
},
- "5": {
+ {
+ "args": [
+ "ball+stick"
+ ],
+ "component_index": 0,
+ "kwargs": {
+ "sele": "hetero and not water"
+ },
+ "methodName": "addRepresentation",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ {
+ "binary": true,
+ "data": 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],
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- "style": "IPY_MODEL_2c6b092597314632ad95ec8f777a7ba8"
+ "grid_template_areas": "\"left-sidebar center center\"",
+ "grid_template_columns": "1fr 6fr 1fr",
+ "grid_template_rows": "3fr",
+ "height": "860px"
}
},
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"model_module": "@jupyter-widgets/controls",
"model_module_version": "1.5.0",
- "model_name": "PlayModel",
+ "model_name": "IntSliderModel",
"state": {
- "layout": "IPY_MODEL_97716f359b9e442394f4f4c4bed5e1d2",
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"max": 0,
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+ "style": "IPY_MODEL_7a22ac59d39f44d4bf6df45111583564"
}
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}
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"model_name": "LinkModel",
"state": {
"source": [
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- "value"
+ "IPY_MODEL_d7bca2973f204be6b0b53e9ad229d1fd",
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],
"target": [
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- "value"
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]
}
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"model_module": "@jupyter-widgets/controls",
"model_module_version": "1.5.0",
- "model_name": "DescriptionStyleModel",
+ "model_name": "PlayModel",
"state": {
- "description_width": ""
+ "layout": "IPY_MODEL_1172f1632b7b476e9f8bb1c0e9d7ea7b",
+ "max": 0,
+ "style": "IPY_MODEL_7382ce88fd964a11aec2163b4ab702b1"
}
},
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"model_module": "@jupyter-widgets/controls",
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"model_name": "LinkModel",
"state": {
"source": [
- "IPY_MODEL_06eed8b8fbc54064b5ba19d80c7272ac",
+ "IPY_MODEL_291c3b8113784d559500e666b582365e",
"max"
],
"target": [
- "IPY_MODEL_af0bcca486e8418aa275f37cab9974ea",
+ "IPY_MODEL_16e24c5b617c47bea82af08cf7f58606",
"max_frame"
]
}
},
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- "style": "IPY_MODEL_da4beb8e571440d8afd048b356e6cca0"
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- "model_module_version": "1.2.0",
- "model_name": "LayoutModel",
- "state": {}
- },
- "7def56d0185b4d599d939cee03614ef2": {
+ "a0adba8fc3de448086b20f811179d448": {
"model_module": "nglview-js-widgets",
"model_module_version": "3.0.1",
"model_name": "NGLModel",
"state": {
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1
],
"_camera_str": "orthographic",
"_gui_theme": null,
- "_ibtn_fullscreen": "IPY_MODEL_f21d80ace1dc4ee1adaf7ace3e21535d",
+ "_ibtn_fullscreen": "IPY_MODEL_c714fe54687d40d98262db602ff2d356",
"_igui": null,
- "_iplayer": "IPY_MODEL_4995d19251084d878a5b4688b45dc360",
+ "_iplayer": "IPY_MODEL_2c69db3164304db1a427c08f08ee6879",
"_ngl_color_dict": {},
"_ngl_coordinate_resource": {},
"_ngl_full_stage_parameters": {
@@ -35514,20 +37688,523 @@
"_ngl_msg_archive": [
{
"args": [
- {
- "binary": false,
- "data": "data_3W32\n# \n_entry.id 3W32 \n# \n_audit_conform.dict_name mmcif_pdbx.dic \n_audit_conform.dict_version 5.281 \n_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic \n# \nloop_\n_database_2.database_id \n_database_2.database_code \nPDB 3W32 \nRCSB RCSB095823 \nWWPDB D_1000095823 \n# \nloop_\n_pdbx_database_related.db_name \n_pdbx_database_related.db_id \n_pdbx_database_related.details \n_pdbx_database_related.content_type \nPDB 3POZ . unspecified \nPDB 3W33 . unspecified \n# \n_pdbx_database_status.status_code REL \n_pdbx_database_status.entry_id 3W32 \n_pdbx_database_status.recvd_initial_deposition_date 2012-12-07 \n_pdbx_database_status.deposit_site PDBJ \n_pdbx_database_status.process_site PDBJ \n_pdbx_database_status.methods_development_category ? \n_pdbx_database_status.status_code_sf REL \n_pdbx_database_status.status_code_mr ? \n_pdbx_database_status.SG_entry ? \n_pdbx_database_status.status_code_cs ? \n_pdbx_database_status.pdb_format_compatible Y \n# \nloop_\n_audit_author.name \n_audit_author.pdbx_ordinal \n'Sogabe, S.' 1 \n'Kawakita, Y.' 2 \n# \n_citation.id primary \n_citation.title 'Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors' \n_citation.journal_abbrev Bioorg.Med.Chem. \n_citation.journal_volume 21 \n_citation.page_first 2250 \n_citation.page_last 2261 \n_citation.year 2013 \n_citation.journal_id_ASTM BMECEP \n_citation.country UK \n_citation.journal_id_ISSN 0968-0896 \n_citation.journal_id_CSD 1200 \n_citation.book_publisher ? \n_citation.pdbx_database_id_PubMed 23490150 \n_citation.pdbx_database_id_DOI 10.1016/j.bmc.2013.02.014 \n# \nloop_\n_citation_author.citation_id \n_citation_author.name \n_citation_author.ordinal \nprimary 'Kawakita, Y.' 1 \nprimary 'Seto, M.' 2 \nprimary 'Ohashi, T.' 3 \nprimary 'Tamura, T.' 4 \nprimary 'Yusa, T.' 5 \nprimary 'Miki, H.' 6 \nprimary 'Iwata, H.' 7 \nprimary 'Kamiguchi, H.' 8 \nprimary 'Tanaka, T.' 9 \nprimary 'Sogabe, S.' 10 \nprimary 'Ohta, Y.' 11 \nprimary 'Ishikawa, T.' 12 \n# \n_cell.entry_id 3W32 \n_cell.length_a 46.443 \n_cell.length_b 68.306 \n_cell.length_c 103.273 \n_cell.angle_alpha 90.00 \n_cell.angle_beta 90.00 \n_cell.angle_gamma 90.00 \n_cell.Z_PDB 4 \n_cell.pdbx_unique_axis ? \n_cell.length_a_esd ? \n_cell.length_b_esd ? \n_cell.length_c_esd ? \n_cell.angle_alpha_esd ? \n_cell.angle_beta_esd ? \n_cell.angle_gamma_esd ? \n# \n_symmetry.entry_id 3W32 \n_symmetry.space_group_name_H-M 'P 21 21 21' \n_symmetry.pdbx_full_space_group_name_H-M ? \n_symmetry.cell_setting ? \n_symmetry.Int_Tables_number 19 \n_symmetry.space_group_name_Hall ? \n# \nloop_\n_entity.id \n_entity.type \n_entity.src_method \n_entity.pdbx_description \n_entity.formula_weight \n_entity.pdbx_number_of_molecules \n_entity.pdbx_ec \n_entity.pdbx_mutation \n_entity.pdbx_fragment \n_entity.details \n1 polymer man 'Epidermal growth factor receptor' 37563.457 1 2.7.10.1 ? 'Kinase domain, UNP residues 696-1022' ? \n2 non-polymer syn \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n581.994 1 ? ? ? ? \n3 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? \n4 water nat water 18.015 82 ? ? ? ? \n# \n_entity_name_com.entity_id 1 \n_entity_name_com.name 'Proto-oncogene c-ErbB-1, Receptor tyrosine-protein kinase erbB-1' \n# \n_entity_poly.entity_id 1 \n_entity_poly.type 'polypeptide(L)' \n_entity_poly.nstd_linkage no \n_entity_poly.nstd_monomer no \n_entity_poly.pdbx_seq_one_letter_code \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_seq_one_letter_code_can \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_strand_id A \n_entity_poly.pdbx_target_identifier ? \n# \nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.num \n_entity_poly_seq.mon_id \n_entity_poly_seq.hetero \n1 1 GLY n \n1 2 ALA n \n1 3 MET n \n1 4 GLY n \n1 5 GLU n \n1 6 ALA n \n1 7 PRO n \n1 8 ASN n \n1 9 GLN n \n1 10 ALA n \n1 11 LEU n \n1 12 LEU n \n1 13 ARG n \n1 14 ILE n \n1 15 LEU n \n1 16 LYS n \n1 17 GLU n \n1 18 THR n \n1 19 GLU n \n1 20 PHE n \n1 21 LYS n \n1 22 LYS n \n1 23 ILE n \n1 24 LYS n \n1 25 VAL n \n1 26 LEU n \n1 27 GLY n \n1 28 SER n \n1 29 GLY n \n1 30 ALA n \n1 31 PHE n \n1 32 GLY n \n1 33 THR n \n1 34 VAL n \n1 35 TYR n \n1 36 LYS n \n1 37 GLY n \n1 38 LEU n \n1 39 TRP n \n1 40 ILE n \n1 41 PRO n \n1 42 GLU n \n1 43 GLY n \n1 44 GLU n \n1 45 LYS n \n1 46 VAL n \n1 47 LYS n \n1 48 ILE n \n1 49 PRO n \n1 50 VAL n \n1 51 ALA n \n1 52 ILE n \n1 53 LYS n \n1 54 GLU n \n1 55 LEU n \n1 56 ARG n \n1 57 GLU n \n1 58 ALA n \n1 59 THR n \n1 60 SER n \n1 61 PRO n \n1 62 LYS n \n1 63 ALA n \n1 64 ASN n \n1 65 LYS n \n1 66 GLU n \n1 67 ILE n \n1 68 LEU n \n1 69 ASP n \n1 70 GLU n \n1 71 ALA n \n1 72 TYR n \n1 73 VAL n \n1 74 MET n \n1 75 ALA n \n1 76 SER n \n1 77 VAL n \n1 78 ASP n \n1 79 ASN n \n1 80 PRO n \n1 81 HIS n \n1 82 VAL n \n1 83 CYS n \n1 84 ARG n \n1 85 LEU n \n1 86 LEU n \n1 87 GLY n \n1 88 ILE n \n1 89 CYS n \n1 90 LEU n \n1 91 THR n \n1 92 SER n \n1 93 THR n \n1 94 VAL n \n1 95 GLN n \n1 96 LEU n \n1 97 ILE n \n1 98 THR n \n1 99 GLN n \n1 100 LEU n \n1 101 MET n \n1 102 PRO n \n1 103 PHE n \n1 104 GLY n \n1 105 CYS n \n1 106 LEU n \n1 107 LEU n \n1 108 ASP n \n1 109 TYR n \n1 110 VAL n \n1 111 ARG n \n1 112 GLU n \n1 113 HIS n \n1 114 LYS n \n1 115 ASP n \n1 116 ASN n \n1 117 ILE n \n1 118 GLY n \n1 119 SER n \n1 120 GLN n \n1 121 TYR n \n1 122 LEU n \n1 123 LEU n \n1 124 ASN n \n1 125 TRP n \n1 126 CYS n \n1 127 VAL n \n1 128 GLN n \n1 129 ILE n \n1 130 ALA n \n1 131 LYS n \n1 132 GLY n \n1 133 MET n \n1 134 ASN n \n1 135 TYR n \n1 136 LEU n \n1 137 GLU n \n1 138 ASP n \n1 139 ARG n \n1 140 ARG n \n1 141 LEU n \n1 142 VAL n \n1 143 HIS n \n1 144 ARG n \n1 145 ASP n \n1 146 LEU n \n1 147 ALA n \n1 148 ALA n \n1 149 ARG n \n1 150 ASN n \n1 151 VAL n \n1 152 LEU n \n1 153 VAL n \n1 154 LYS n \n1 155 THR n \n1 156 PRO n \n1 157 GLN n \n1 158 HIS n \n1 159 VAL n \n1 160 LYS n \n1 161 ILE n \n1 162 THR n \n1 163 ASP n \n1 164 PHE n \n1 165 GLY n \n1 166 LEU n \n1 167 ALA n \n1 168 LYS n \n1 169 LEU n \n1 170 LEU n \n1 171 GLY n \n1 172 ALA n \n1 173 GLU n \n1 174 GLU n \n1 175 LYS n \n1 176 GLU n \n1 177 TYR n \n1 178 HIS n \n1 179 ALA n \n1 180 GLU n \n1 181 GLY n \n1 182 GLY n \n1 183 LYS n \n1 184 VAL n \n1 185 PRO n \n1 186 ILE n \n1 187 LYS n \n1 188 TRP n \n1 189 MET n \n1 190 ALA n \n1 191 LEU n \n1 192 GLU n \n1 193 SER n \n1 194 ILE n \n1 195 LEU n \n1 196 HIS n \n1 197 ARG n \n1 198 ILE n \n1 199 TYR n \n1 200 THR n \n1 201 HIS n \n1 202 GLN n \n1 203 SER n \n1 204 ASP n \n1 205 VAL n \n1 206 TRP n \n1 207 SER n \n1 208 TYR n \n1 209 GLY n \n1 210 VAL n \n1 211 THR n \n1 212 VAL n \n1 213 TRP n \n1 214 GLU n \n1 215 LEU n \n1 216 MET n \n1 217 THR n \n1 218 PHE n \n1 219 GLY n \n1 220 SER n \n1 221 LYS n \n1 222 PRO n \n1 223 TYR n \n1 224 ASP n \n1 225 GLY n \n1 226 ILE n \n1 227 PRO n \n1 228 ALA n \n1 229 SER n \n1 230 GLU n \n1 231 ILE n \n1 232 SER n \n1 233 SER n \n1 234 ILE n \n1 235 LEU n \n1 236 GLU n \n1 237 LYS n \n1 238 GLY n \n1 239 GLU n \n1 240 ARG n \n1 241 LEU n \n1 242 PRO n \n1 243 GLN n \n1 244 PRO n \n1 245 PRO n \n1 246 ILE n \n1 247 CYS n \n1 248 THR n \n1 249 ILE n \n1 250 ASP n \n1 251 VAL n \n1 252 TYR n \n1 253 MET n \n1 254 ILE n \n1 255 MET n \n1 256 VAL n \n1 257 LYS n \n1 258 CYS n \n1 259 TRP n \n1 260 MET n \n1 261 ILE n \n1 262 ASP n \n1 263 ALA n \n1 264 ASP n \n1 265 SER n \n1 266 ARG n \n1 267 PRO n \n1 268 LYS n \n1 269 PHE n \n1 270 ARG n \n1 271 GLU n \n1 272 LEU n \n1 273 ILE n \n1 274 ILE n \n1 275 GLU n \n1 276 PHE n \n1 277 SER n \n1 278 LYS n \n1 279 MET n \n1 280 ALA n \n1 281 ARG n \n1 282 ASP n \n1 283 PRO n \n1 284 GLN n \n1 285 ARG n \n1 286 TYR n \n1 287 LEU n \n1 288 VAL n \n1 289 ILE n \n1 290 GLN n \n1 291 GLY n \n1 292 ASP n \n1 293 GLU n \n1 294 ARG n \n1 295 MET n \n1 296 HIS n \n1 297 LEU n \n1 298 PRO n \n1 299 SER n \n1 300 PRO n \n1 301 THR n \n1 302 ASP n \n1 303 SER n \n1 304 ASN n \n1 305 PHE n \n1 306 TYR n \n1 307 ARG n \n1 308 ALA n \n1 309 LEU n \n1 310 MET n \n1 311 ASP n \n1 312 GLU n \n1 313 GLU n \n1 314 ASP n \n1 315 MET n \n1 316 ASP n \n1 317 ASP n \n1 318 VAL n \n1 319 VAL n \n1 320 ASP n \n1 321 ALA n \n1 322 ASP n \n1 323 GLU n \n1 324 TYR n \n1 325 LEU n \n1 326 ILE n \n1 327 PRO n \n1 328 GLN n \n1 329 GLN n \n1 330 GLY n \n# \n_entity_src_gen.entity_id 1 \n_entity_src_gen.pdbx_src_id 1 \n_entity_src_gen.pdbx_alt_source_flag sample \n_entity_src_gen.pdbx_seq_type ? \n_entity_src_gen.pdbx_beg_seq_num ? \n_entity_src_gen.pdbx_end_seq_num ? \n_entity_src_gen.gene_src_common_name human \n_entity_src_gen.gene_src_genus ? \n_entity_src_gen.pdbx_gene_src_gene 'EGFR, ERBB, ERBB1, HER1' \n_entity_src_gen.gene_src_species ? \n_entity_src_gen.gene_src_strain ? \n_entity_src_gen.gene_src_tissue ? \n_entity_src_gen.gene_src_tissue_fraction ? \n_entity_src_gen.gene_src_details ? \n_entity_src_gen.pdbx_gene_src_fragment ? \n_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' \n_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 \n_entity_src_gen.pdbx_gene_src_variant ? \n_entity_src_gen.pdbx_gene_src_cell_line ? \n_entity_src_gen.pdbx_gene_src_atcc ? \n_entity_src_gen.pdbx_gene_src_organ ? \n_entity_src_gen.pdbx_gene_src_organelle ? \n_entity_src_gen.pdbx_gene_src_cell ? \n_entity_src_gen.pdbx_gene_src_cellular_location ? \n_entity_src_gen.host_org_common_name ? \n_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' \n_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 \n_entity_src_gen.host_org_genus ? \n_entity_src_gen.pdbx_host_org_gene ? \n_entity_src_gen.pdbx_host_org_organ ? \n_entity_src_gen.host_org_species ? \n_entity_src_gen.pdbx_host_org_tissue ? \n_entity_src_gen.pdbx_host_org_tissue_fraction ? \n_entity_src_gen.pdbx_host_org_strain ? \n_entity_src_gen.pdbx_host_org_variant ? \n_entity_src_gen.pdbx_host_org_cell_line Sf9 \n_entity_src_gen.pdbx_host_org_atcc ? \n_entity_src_gen.pdbx_host_org_culture_collection ? \n_entity_src_gen.pdbx_host_org_cell ? \n_entity_src_gen.pdbx_host_org_organelle ? \n_entity_src_gen.pdbx_host_org_cellular_location ? \n_entity_src_gen.pdbx_host_org_vector_type baculovirus \n_entity_src_gen.pdbx_host_org_vector ? \n_entity_src_gen.host_org_details ? \n_entity_src_gen.expression_system_id ? \n_entity_src_gen.plasmid_name pFastBac1 \n_entity_src_gen.plasmid_details ? \n_entity_src_gen.pdbx_description ? \n# \n_struct_ref.id 1 \n_struct_ref.db_name UNP \n_struct_ref.db_code EGFR_HUMAN \n_struct_ref.pdbx_db_accession P00533 \n_struct_ref.entity_id 1 \n_struct_ref.pdbx_seq_one_letter_code \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_struct_ref.pdbx_align_begin 696 \n_struct_ref.pdbx_db_isoform ? \n# \n_struct_ref_seq.align_id 1 \n_struct_ref_seq.ref_id 1 \n_struct_ref_seq.pdbx_PDB_id_code 3W32 \n_struct_ref_seq.pdbx_strand_id A \n_struct_ref_seq.seq_align_beg 4 \n_struct_ref_seq.pdbx_seq_align_beg_ins_code ? \n_struct_ref_seq.seq_align_end 330 \n_struct_ref_seq.pdbx_seq_align_end_ins_code ? \n_struct_ref_seq.pdbx_db_accession P00533 \n_struct_ref_seq.db_align_beg 696 \n_struct_ref_seq.pdbx_db_align_beg_ins_code ? \n_struct_ref_seq.db_align_end 1022 \n_struct_ref_seq.pdbx_db_align_end_ins_code ? \n_struct_ref_seq.pdbx_auth_seq_align_beg 696 \n_struct_ref_seq.pdbx_auth_seq_align_end 1022 \n# \nloop_\n_struct_ref_seq_dif.align_id \n_struct_ref_seq_dif.pdbx_pdb_id_code \n_struct_ref_seq_dif.mon_id \n_struct_ref_seq_dif.pdbx_pdb_strand_id \n_struct_ref_seq_dif.seq_num \n_struct_ref_seq_dif.pdbx_pdb_ins_code \n_struct_ref_seq_dif.pdbx_seq_db_name \n_struct_ref_seq_dif.pdbx_seq_db_accession_code \n_struct_ref_seq_dif.db_mon_id \n_struct_ref_seq_dif.pdbx_seq_db_seq_num \n_struct_ref_seq_dif.details \n_struct_ref_seq_dif.pdbx_auth_seq_num \n_struct_ref_seq_dif.pdbx_ordinal \n1 3W32 GLY A 1 ? UNP P00533 ? ? 'EXPRESSION TAG' 693 1 \n1 3W32 ALA A 2 ? UNP P00533 ? ? 'EXPRESSION TAG' 694 2 \n1 3W32 MET A 3 ? UNP P00533 ? ? 'EXPRESSION TAG' 695 3 \n# \nloop_\n_chem_comp.id \n_chem_comp.type \n_chem_comp.mon_nstd_flag \n_chem_comp.name \n_chem_comp.pdbx_synonyms \n_chem_comp.formula \n_chem_comp.formula_weight \nALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 \nARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 \nASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 \nASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 \nCYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 \nGLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 \nGLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 \nGLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 \nHIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 \nHOH non-polymer . WATER ? 'H2 O' 18.015 \nILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 \nLEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 \nLYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 \nMET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 \nPHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 \nPRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 \nSER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 \nSO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 \nTHR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 \nTRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 \nTYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 \nVAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 \nW32 non-polymer . \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n? 'C25 H23 Cl F3 N5 O4 S' 581.994 \n# \n_exptl.entry_id 3W32 \n_exptl.method 'X-RAY DIFFRACTION' \n_exptl.crystals_number 1 \n# \n_exptl_crystal.id 1 \n_exptl_crystal.density_meas ? \n_exptl_crystal.density_Matthews 2.18 \n_exptl_crystal.density_percent_sol 43.59 \n_exptl_crystal.description ? \n_exptl_crystal.F_000 ? \n_exptl_crystal.preparation ? \n# \n_exptl_crystal_grow.crystal_id 1 \n_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' \n_exptl_crystal_grow.temp 298 \n_exptl_crystal_grow.temp_details ? \n_exptl_crystal_grow.pH 5.5 \n_exptl_crystal_grow.pdbx_pH_range ? \n_exptl_crystal_grow.pdbx_details \n'0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K' \n# \n_diffrn.id 1 \n_diffrn.ambient_temp 100 \n_diffrn.ambient_temp_details ? \n_diffrn.crystal_id 1 \n# \n_diffrn_detector.diffrn_id 1 \n_diffrn_detector.detector CCD \n_diffrn_detector.type 'ADSC QUANTUM 315r' \n_diffrn_detector.pdbx_collection_date 2011-12-21 \n_diffrn_detector.details ? \n# \n_diffrn_radiation.diffrn_id 1 \n_diffrn_radiation.wavelength_id 1 \n_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M \n_diffrn_radiation.monochromator ? \n_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' \n_diffrn_radiation.pdbx_scattering_type x-ray \n# \n_diffrn_radiation_wavelength.id 1 \n_diffrn_radiation_wavelength.wavelength 0.97649 \n_diffrn_radiation_wavelength.wt 1.0 \n# \n_diffrn_source.diffrn_id 1 \n_diffrn_source.source SYNCHROTRON \n_diffrn_source.type 'ALS BEAMLINE 5.0.3' \n_diffrn_source.pdbx_synchrotron_site ALS \n_diffrn_source.pdbx_synchrotron_beamline 5.0.3 \n_diffrn_source.pdbx_wavelength ? \n_diffrn_source.pdbx_wavelength_list 0.97649 \n# \n_reflns.pdbx_diffrn_id 1 \n_reflns.pdbx_ordinal 1 \n_reflns.entry_id 3W32 \n_reflns.observed_criterion_sigma_I ? \n_reflns.observed_criterion_sigma_F ? \n_reflns.d_resolution_low 50 \n_reflns.d_resolution_high 1.8 \n_reflns.number_obs 30817 \n_reflns.number_all ? \n_reflns.percent_possible_obs 99.7 \n_reflns.pdbx_Rmerge_I_obs ? \n_reflns.pdbx_Rsym_value 0.054 \n_reflns.pdbx_netI_over_sigmaI 26.1 \n_reflns.B_iso_Wilson_estimate ? \n_reflns.pdbx_redundancy 4.8 \n_reflns.R_free_details ? \n_reflns.limit_h_max ? \n_reflns.limit_h_min ? \n_reflns.limit_k_max ? \n_reflns.limit_k_min ? \n_reflns.limit_l_max ? \n_reflns.limit_l_min ? \n_reflns.observed_criterion_F_max ? \n_reflns.observed_criterion_F_min ? \n_reflns.pdbx_chi_squared ? \n_reflns.pdbx_scaling_rejects ? \n# \n_reflns_shell.pdbx_diffrn_id 1 \n_reflns_shell.pdbx_ordinal 1 \n_reflns_shell.d_res_high 1.8 \n_reflns_shell.d_res_low 1.83 \n_reflns_shell.percent_possible_all 99.9 \n_reflns_shell.Rmerge_I_obs ? \n_reflns_shell.pdbx_Rsym_value 0.898 \n_reflns_shell.meanI_over_sigI_obs 2.0 \n_reflns_shell.pdbx_redundancy 4.9 \n_reflns_shell.percent_possible_obs ? \n_reflns_shell.number_unique_all ? \n_reflns_shell.number_measured_all ? \n_reflns_shell.number_measured_obs ? \n_reflns_shell.number_unique_obs ? \n_reflns_shell.pdbx_chi_squared ? \n# \n_refine.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine.entry_id 3W32 \n_refine.pdbx_diffrn_id 1 \n_refine.pdbx_TLS_residual_ADP_flag ? \n_refine.ls_number_reflns_obs 29096 \n_refine.ls_number_reflns_all ? \n_refine.pdbx_ls_sigma_I ? \n_refine.pdbx_ls_sigma_F . \n_refine.pdbx_data_cutoff_high_absF ? \n_refine.pdbx_data_cutoff_low_absF ? \n_refine.pdbx_data_cutoff_high_rms_absF ? \n_refine.ls_d_res_low 40.00 \n_refine.ls_d_res_high 1.80 \n_refine.ls_percent_reflns_obs 98.97 \n_refine.ls_R_factor_obs 0.20219 \n_refine.ls_R_factor_all ? \n_refine.ls_R_factor_R_work 0.20045 \n_refine.ls_R_factor_R_free 0.23552 \n_refine.ls_R_factor_R_free_error ? \n_refine.ls_R_factor_R_free_error_details ? \n_refine.ls_percent_reflns_R_free 5.0 \n_refine.ls_number_reflns_R_free 1539 \n_refine.ls_number_parameters ? \n_refine.ls_number_restraints ? \n_refine.occupancy_min ? \n_refine.occupancy_max ? \n_refine.correlation_coeff_Fo_to_Fc 0.962 \n_refine.correlation_coeff_Fo_to_Fc_free 0.943 \n_refine.B_iso_mean 46.448 \n_refine.aniso_B[1][1] 3.86 \n_refine.aniso_B[2][2] 0.11 \n_refine.aniso_B[3][3] -3.97 \n_refine.aniso_B[1][2] -0.00 \n_refine.aniso_B[1][3] -0.00 \n_refine.aniso_B[2][3] -0.00 \n_refine.solvent_model_details MASK \n_refine.solvent_model_param_ksol ? \n_refine.solvent_model_param_bsol ? \n_refine.pdbx_solvent_vdw_probe_radii 1.40 \n_refine.pdbx_solvent_ion_probe_radii 0.80 \n_refine.pdbx_solvent_shrinkage_radii 0.80 \n_refine.pdbx_ls_cross_valid_method THROUGHOUT \n_refine.details ? \n_refine.pdbx_starting_model 1XKK \n_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' \n_refine.pdbx_isotropic_thermal_model ? \n_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' \n_refine.pdbx_stereochem_target_val_spec_case ? \n_refine.pdbx_R_Free_selection_details RANDOM \n_refine.pdbx_overall_ESU_R 0.141 \n_refine.pdbx_overall_ESU_R_Free 0.131 \n_refine.overall_SU_ML 0.103 \n_refine.pdbx_overall_phase_error ? \n_refine.overall_SU_B 6.930 \n_refine.overall_SU_R_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_Blow_DPI ? \n_refine.pdbx_overall_SU_R_free_Blow_DPI ? \n_refine.ls_redundancy_reflns_obs ? \n_refine.B_iso_min ? \n_refine.B_iso_max ? \n_refine.overall_SU_R_free ? \n_refine.ls_wR_factor_R_free ? \n_refine.ls_wR_factor_R_work ? \n_refine.overall_FOM_free_R_set ? \n_refine.overall_FOM_work_R_set ? \n# \n_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_hist.cycle_id LAST \n_refine_hist.pdbx_number_atoms_protein 2545 \n_refine_hist.pdbx_number_atoms_nucleic_acid 0 \n_refine_hist.pdbx_number_atoms_ligand 44 \n_refine_hist.number_atoms_solvent 82 \n_refine_hist.number_atoms_total 2671 \n_refine_hist.d_res_high 1.80 \n_refine_hist.d_res_low 40.00 \n# \nloop_\n_refine_ls_restr.type \n_refine_ls_restr.dev_ideal \n_refine_ls_restr.dev_ideal_target \n_refine_ls_restr.weight \n_refine_ls_restr.number \n_refine_ls_restr.pdbx_refine_id \n_refine_ls_restr.pdbx_restraint_function \nr_bond_refined_d 0.009 0.019 ? 2647 'X-RAY DIFFRACTION' ? \nr_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_angle_refined_deg 1.362 1.995 ? 3587 'X-RAY DIFFRACTION' ? \nr_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_1_deg 5.462 5.000 ? 316 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_2_deg 34.868 24.123 ? 114 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_3_deg 14.009 15.000 ? 481 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_4_deg 16.236 15.000 ? 16 'X-RAY DIFFRACTION' ? \nr_chiral_restr 0.092 0.200 ? 393 'X-RAY DIFFRACTION' ? \nr_gen_planes_refined 0.006 0.021 ? 2017 'X-RAY DIFFRACTION' ? \nr_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? \n# \n_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_ls_shell.pdbx_total_number_of_bins_used 20 \n_refine_ls_shell.d_res_high 1.805 \n_refine_ls_shell.d_res_low 1.852 \n_refine_ls_shell.number_reflns_R_work 2043 \n_refine_ls_shell.R_factor_R_work 0.307 \n_refine_ls_shell.percent_reflns_obs 95.73 \n_refine_ls_shell.R_factor_R_free 0.344 \n_refine_ls_shell.R_factor_R_free_error ? \n_refine_ls_shell.percent_reflns_R_free ? \n_refine_ls_shell.number_reflns_R_free 110 \n_refine_ls_shell.number_reflns_all ? \n_refine_ls_shell.R_factor_all ? \n_refine_ls_shell.redundancy_reflns_obs ? \n_refine_ls_shell.number_reflns_obs ? \n# \n_struct.entry_id 3W32 \n_struct.title 'EGFR kinase domain complexed with compound 20a' \n_struct.pdbx_descriptor 'Epidermal growth factor receptor (E.C.2.7.10.1)' \n_struct.pdbx_model_details ? \n_struct.pdbx_CASP_flag ? \n_struct.pdbx_model_type_details ? \n# \n_struct_keywords.entry_id 3W32 \n_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' \n_struct_keywords.text \n'ANTI-ONCOGENE, CELL CYCLE, DISEASE MUTATION, KINASE DOMAIN, RECEPTOR, TRANSFERASE-TRANSFERASE INHIBITOR complex' \n# \nloop_\n_struct_asym.id \n_struct_asym.pdbx_blank_PDB_chainid_flag \n_struct_asym.pdbx_modified \n_struct_asym.entity_id \n_struct_asym.details \nA N N 1 ? \nB N N 2 ? \nC N N 3 ? \nD N N 4 ? \n# \n_struct_biol.id 1 \n_struct_biol.details ? \n# \nloop_\n_struct_conf.conf_type_id \n_struct_conf.id \n_struct_conf.pdbx_PDB_helix_id \n_struct_conf.beg_label_comp_id \n_struct_conf.beg_label_asym_id \n_struct_conf.beg_label_seq_id \n_struct_conf.pdbx_beg_PDB_ins_code \n_struct_conf.end_label_comp_id \n_struct_conf.end_label_asym_id \n_struct_conf.end_label_seq_id \n_struct_conf.pdbx_end_PDB_ins_code \n_struct_conf.beg_auth_comp_id \n_struct_conf.beg_auth_asym_id \n_struct_conf.beg_auth_seq_id \n_struct_conf.end_auth_comp_id \n_struct_conf.end_auth_asym_id \n_struct_conf.end_auth_seq_id \n_struct_conf.pdbx_PDB_helix_class \n_struct_conf.details \n_struct_conf.pdbx_PDB_helix_length \nHELX_P HELX_P1 1 LYS A 16 ? THR A 18 ? LYS A 708 THR A 710 5 ? 3 \nHELX_P HELX_P2 2 ALA A 63 ? VAL A 77 ? ALA A 755 VAL A 769 1 ? 15 \nHELX_P HELX_P3 3 CYS A 105 ? LYS A 114 ? CYS A 797 LYS A 806 1 ? 10 \nHELX_P HELX_P4 4 ASP A 115 ? ILE A 117 ? ASP A 807 ILE A 809 5 ? 3 \nHELX_P HELX_P5 5 GLY A 118 ? ARG A 139 ? GLY A 810 ARG A 831 1 ? 22 \nHELX_P HELX_P6 6 ALA A 147 ? ARG A 149 ? ALA A 839 ARG A 841 5 ? 3 \nHELX_P HELX_P7 7 GLY A 165 ? LEU A 170 ? GLY A 857 LEU A 862 1 ? 6 \nHELX_P HELX_P8 8 GLU A 174 ? GLU A 180 ? GLU A 866 GLU A 872 1 ? 7 \nHELX_P HELX_P9 9 PRO A 185 ? MET A 189 ? PRO A 877 MET A 881 5 ? 5 \nHELX_P HELX_P10 10 ALA A 190 ? ARG A 197 ? ALA A 882 ARG A 889 1 ? 8 \nHELX_P HELX_P11 11 THR A 200 ? THR A 217 ? THR A 892 THR A 909 1 ? 18 \nHELX_P HELX_P12 12 PRO A 227 ? SER A 229 ? PRO A 919 SER A 921 5 ? 3 \nHELX_P HELX_P13 13 GLU A 230 ? LYS A 237 ? GLU A 922 LYS A 929 1 ? 8 \nHELX_P HELX_P14 14 THR A 248 ? TRP A 259 ? THR A 940 TRP A 951 1 ? 12 \nHELX_P HELX_P15 15 ASP A 262 ? ARG A 266 ? ASP A 954 ARG A 958 5 ? 5 \nHELX_P HELX_P16 16 LYS A 268 ? ALA A 280 ? LYS A 960 ALA A 972 1 ? 13 \nHELX_P HELX_P17 17 ASP A 282 ? LEU A 287 ? ASP A 974 LEU A 979 1 ? 6 \nHELX_P HELX_P18 18 GLY A 291 ? MET A 295 ? GLY A 983 MET A 987 5 ? 5 \nHELX_P HELX_P19 19 SER A 299 ? ASP A 302 ? SER A 991 ASP A 994 5 ? 4 \nHELX_P HELX_P20 20 SER A 303 ? ASP A 311 ? SER A 995 ASP A 1003 1 ? 9 \nHELX_P HELX_P21 21 ASP A 320 ? LEU A 325 ? ASP A 1012 LEU A 1017 1 ? 6 \n# \n_struct_conf_type.id HELX_P \n_struct_conf_type.criteria ? \n_struct_conf_type.reference ? \n# \nloop_\n_struct_sheet.id \n_struct_sheet.type \n_struct_sheet.number_strands \n_struct_sheet.details \nA ? 6 ? \nB ? 2 ? \n# \nloop_\n_struct_sheet_order.sheet_id \n_struct_sheet_order.range_id_1 \n_struct_sheet_order.range_id_2 \n_struct_sheet_order.offset \n_struct_sheet_order.sense \nA 1 2 ? parallel \nA 2 3 ? anti-parallel \nA 3 4 ? anti-parallel \nA 4 5 ? anti-parallel \nA 5 6 ? anti-parallel \nB 1 2 ? anti-parallel \n# \nloop_\n_struct_sheet_range.sheet_id \n_struct_sheet_range.id \n_struct_sheet_range.beg_label_comp_id \n_struct_sheet_range.beg_label_asym_id \n_struct_sheet_range.beg_label_seq_id \n_struct_sheet_range.pdbx_beg_PDB_ins_code \n_struct_sheet_range.end_label_comp_id \n_struct_sheet_range.end_label_asym_id \n_struct_sheet_range.end_label_seq_id \n_struct_sheet_range.pdbx_end_PDB_ins_code \n_struct_sheet_range.beg_auth_comp_id \n_struct_sheet_range.beg_auth_asym_id \n_struct_sheet_range.beg_auth_seq_id \n_struct_sheet_range.end_auth_comp_id \n_struct_sheet_range.end_auth_asym_id \n_struct_sheet_range.end_auth_seq_id \nA 1 ARG A 13 ? ILE A 14 ? ARG A 705 ILE A 706 \nA 2 LEU A 85 ? LEU A 90 ? LEU A 777 LEU A 782 \nA 3 VAL A 94 ? GLN A 99 ? VAL A 786 GLN A 791 \nA 4 ILE A 48 ? LEU A 55 ? ILE A 740 LEU A 747 \nA 5 GLY A 32 ? TRP A 39 ? GLY A 724 TRP A 731 \nA 6 PHE A 20 ? SER A 28 ? PHE A 712 SER A 720 \nB 1 VAL A 151 ? THR A 155 ? VAL A 843 THR A 847 \nB 2 HIS A 158 ? ILE A 161 ? HIS A 850 ILE A 853 \n# \nloop_\n_pdbx_struct_sheet_hbond.sheet_id \n_pdbx_struct_sheet_hbond.range_id_1 \n_pdbx_struct_sheet_hbond.range_id_2 \n_pdbx_struct_sheet_hbond.range_1_label_atom_id \n_pdbx_struct_sheet_hbond.range_1_label_comp_id \n_pdbx_struct_sheet_hbond.range_1_label_asym_id \n_pdbx_struct_sheet_hbond.range_1_label_seq_id \n_pdbx_struct_sheet_hbond.range_1_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_1_auth_atom_id \n_pdbx_struct_sheet_hbond.range_1_auth_comp_id \n_pdbx_struct_sheet_hbond.range_1_auth_asym_id \n_pdbx_struct_sheet_hbond.range_1_auth_seq_id \n_pdbx_struct_sheet_hbond.range_2_label_atom_id \n_pdbx_struct_sheet_hbond.range_2_label_comp_id \n_pdbx_struct_sheet_hbond.range_2_label_asym_id \n_pdbx_struct_sheet_hbond.range_2_label_seq_id \n_pdbx_struct_sheet_hbond.range_2_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_2_auth_atom_id \n_pdbx_struct_sheet_hbond.range_2_auth_comp_id \n_pdbx_struct_sheet_hbond.range_2_auth_asym_id \n_pdbx_struct_sheet_hbond.range_2_auth_seq_id \nA 1 2 N ARG A 13 ? N ARG A 705 O ILE A 88 ? O ILE A 780 \nA 2 3 N GLY A 87 ? N GLY A 779 O ILE A 97 ? O ILE A 789 \nA 3 4 O LEU A 96 ? O LEU A 788 N LYS A 53 ? N LYS A 745 \nA 4 5 O ILE A 48 ? O ILE A 740 N TRP A 39 ? N TRP A 731 \nA 5 6 O LYS A 36 ? O LYS A 728 N ILE A 23 ? N ILE A 715 \nB 1 2 N LEU A 152 ? N LEU A 844 O LYS A 160 ? O LYS A 852 \n# \nloop_\n_struct_site.id \n_struct_site.pdbx_evidence_code \n_struct_site.pdbx_auth_asym_id \n_struct_site.pdbx_auth_comp_id \n_struct_site.pdbx_auth_seq_id \n_struct_site.pdbx_auth_ins_code \n_struct_site.pdbx_num_residues \n_struct_site.details \nAC1 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE W32 A 1101' \nAC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1102' \n# \nloop_\n_struct_site_gen.id \n_struct_site_gen.site_id \n_struct_site_gen.pdbx_num_res \n_struct_site_gen.label_comp_id \n_struct_site_gen.label_asym_id \n_struct_site_gen.label_seq_id \n_struct_site_gen.pdbx_auth_ins_code \n_struct_site_gen.auth_comp_id \n_struct_site_gen.auth_asym_id \n_struct_site_gen.auth_seq_id \n_struct_site_gen.label_atom_id \n_struct_site_gen.label_alt_id \n_struct_site_gen.symmetry \n_struct_site_gen.details \n1 AC1 20 SER A 28 ? SER A 720 . ? 1_555 ? \n2 AC1 20 ALA A 51 ? ALA A 743 . ? 1_555 ? \n3 AC1 20 LYS A 53 ? LYS A 745 . ? 1_555 ? \n4 AC1 20 MET A 74 ? MET A 766 . ? 1_555 ? \n5 AC1 20 CYS A 83 ? CYS A 775 . ? 1_555 ? \n6 AC1 20 ARG A 84 ? ARG A 776 . ? 1_555 ? \n7 AC1 20 LEU A 85 ? LEU A 777 . ? 1_555 ? \n8 AC1 20 LEU A 96 ? LEU A 788 . ? 1_555 ? \n9 AC1 20 THR A 98 ? THR A 790 . ? 1_555 ? \n10 AC1 20 GLN A 99 ? GLN A 791 . ? 1_555 ? \n11 AC1 20 LEU A 100 ? LEU A 792 . ? 1_555 ? \n12 AC1 20 MET A 101 ? MET A 793 . ? 1_555 ? \n13 AC1 20 LEU A 152 ? LEU A 844 . ? 1_555 ? \n14 AC1 20 THR A 162 ? THR A 854 . ? 1_555 ? \n15 AC1 20 ASP A 163 ? ASP A 855 . ? 1_555 ? \n16 AC1 20 PHE A 164 ? PHE A 856 . ? 1_555 ? \n17 AC1 20 ASP A 250 ? ASP A 942 . ? 3_655 ? \n18 AC1 20 PHE A 305 ? PHE A 997 . ? 1_555 ? \n19 AC1 20 HOH D . ? HOH A 2001 . ? 1_555 ? \n20 AC1 20 HOH D . ? HOH A 2010 . ? 1_555 ? \n21 AC2 4 ARG A 111 ? ARG A 803 . ? 1_555 ? \n22 AC2 4 LYS A 221 ? LYS A 913 . ? 1_555 ? \n23 AC2 4 ARG A 285 ? ARG A 977 . ? 3_655 ? \n24 AC2 4 HOH D . ? HOH A 2037 . ? 1_555 ? \n# \n_database_PDB_matrix.entry_id 3W32 \n_database_PDB_matrix.origx[1][1] 1.000000 \n_database_PDB_matrix.origx[1][2] 0.000000 \n_database_PDB_matrix.origx[1][3] 0.000000 \n_database_PDB_matrix.origx[2][1] 0.000000 \n_database_PDB_matrix.origx[2][2] 1.000000 \n_database_PDB_matrix.origx[2][3] 0.000000 \n_database_PDB_matrix.origx[3][1] 0.000000 \n_database_PDB_matrix.origx[3][2] 0.000000 \n_database_PDB_matrix.origx[3][3] 1.000000 \n_database_PDB_matrix.origx_vector[1] 0.00000 \n_database_PDB_matrix.origx_vector[2] 0.00000 \n_database_PDB_matrix.origx_vector[3] 0.00000 \n# \n_atom_sites.entry_id 3W32 \n_atom_sites.fract_transf_matrix[1][1] 0.021532 \n_atom_sites.fract_transf_matrix[1][2] 0.000000 \n_atom_sites.fract_transf_matrix[1][3] 0.000000 \n_atom_sites.fract_transf_matrix[2][1] 0.000000 \n_atom_sites.fract_transf_matrix[2][2] 0.014640 \n_atom_sites.fract_transf_matrix[2][3] 0.000000 \n_atom_sites.fract_transf_matrix[3][1] 0.000000 \n_atom_sites.fract_transf_matrix[3][2] 0.000000 \n_atom_sites.fract_transf_matrix[3][3] 0.009683 \n_atom_sites.fract_transf_vector[1] 0.00000 \n_atom_sites.fract_transf_vector[2] 0.00000 \n_atom_sites.fract_transf_vector[3] 0.00000 \n# \nloop_\n_atom_type.symbol \nC \nCL \nF \nN \nO \nS \n# \nloop_\n_atom_site.group_PDB \n_atom_site.id \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.occupancy \n_atom_site.B_iso_or_equiv \n_atom_site.pdbx_formal_charge \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.pdbx_PDB_model_num \nATOM 1 N N . GLN A 1 9 ? -0.023 33.326 -4.411 1.00 47.95 ? 701 GLN A N 1 \nATOM 2 C CA . GLN A 1 9 ? -0.291 31.978 -3.835 1.00 50.95 ? 701 GLN A CA 1 \nATOM 3 C C . GLN A 1 9 ? 0.946 31.062 -3.957 1.00 47.20 ? 701 GLN A C 1 \nATOM 4 O O . GLN A 1 9 ? 0.876 29.863 -3.659 1.00 47.25 ? 701 GLN A O 1 \nATOM 5 C CB . GLN A 1 9 ? -1.501 31.341 -4.517 1.00 64.85 ? 701 GLN A CB 1 \nATOM 6 C CG . GLN A 1 9 ? -2.441 30.619 -3.562 1.00 84.93 ? 701 GLN A CG 1 \nATOM 7 C CD . GLN A 1 9 ? -3.514 29.816 -4.282 1.00 102.47 ? 701 GLN A CD 1 \nATOM 8 O OE1 . GLN A 1 9 ? -4.681 30.215 -4.329 1.00 95.64 ? 701 GLN A OE1 1 \nATOM 9 N NE2 . GLN A 1 9 ? -3.123 28.679 -4.849 1.00 100.38 ? 701 GLN A NE2 1 \nATOM 10 N N . ALA A 1 10 ? 2.069 31.642 -4.384 1.00 45.71 ? 702 ALA A N 1 \nATOM 11 C CA . ALA A 1 10 ? 3.343 30.929 -4.498 1.00 43.17 ? 702 ALA A CA 1 \nATOM 12 C C . ALA A 1 10 ? 3.775 30.322 -3.161 1.00 47.99 ? 702 ALA A C 1 \nATOM 13 O O . ALA A 1 10 ? 3.538 30.924 -2.110 1.00 44.37 ? 702 ALA A O 1 \nATOM 14 C CB . ALA A 1 10 ? 4.416 31.882 -5.023 1.00 42.30 ? 702 ALA A CB 1 \nATOM 15 N N . LEU A 1 11 ? 4.401 29.139 -3.199 1.00 38.24 ? 703 LEU A N 1 \nATOM 16 C CA . LEU A 1 11 ? 5.009 28.552 -2.003 1.00 37.89 ? 703 LEU A CA 1 \nATOM 17 C C . LEU A 1 11 ? 6.142 29.430 -1.494 1.00 37.81 ? 703 LEU A C 1 \nATOM 18 O O . LEU A 1 11 ? 6.222 29.735 -0.302 1.00 39.19 ? 703 LEU A O 1 \nATOM 19 C CB . LEU A 1 11 ? 5.530 27.130 -2.289 1.00 36.07 ? 703 LEU A CB 1 \nATOM 20 C CG . LEU A 1 11 ? 5.658 26.188 -1.082 1.00 46.85 ? 703 LEU A CG 1 \nATOM 21 C CD1 . LEU A 1 11 ? 4.475 26.310 -0.125 1.00 49.71 ? 703 LEU A CD1 1 \nATOM 22 C CD2 . LEU A 1 11 ? 5.791 24.740 -1.541 1.00 44.12 ? 703 LEU A CD2 1 \nATOM 23 N N . LEU A 1 12 ? 7.016 29.822 -2.415 1.00 33.81 ? 704 LEU A N 1 \nATOM 24 C CA . LEU A 1 12 ? 8.054 30.799 -2.155 1.00 32.97 ? 704 LEU A CA 1 \nATOM 25 C C . LEU A 1 12 ? 7.590 32.151 -2.677 1.00 34.88 ? 704 LEU A C 1 \nATOM 26 O O . LEU A 1 12 ? 7.644 32.424 -3.878 1.00 34.62 ? 704 LEU A O 1 \nATOM 27 C CB . LEU A 1 12 ? 9.371 30.386 -2.831 1.00 33.39 ? 704 LEU A CB 1 \nATOM 28 C CG . LEU A 1 12 ? 10.591 31.295 -2.585 1.00 38.51 ? 704 LEU A CG 1 \nATOM 29 C CD1 . LEU A 1 12 ? 10.953 31.361 -1.104 1.00 34.30 ? 704 LEU A CD1 1 \nATOM 30 C CD2 . LEU A 1 12 ? 11.796 30.854 -3.421 1.00 39.10 ? 704 LEU A CD2 1 \nATOM 31 N N . ARG A 1 13 ? 7.120 33.006 -1.775 1.00 35.37 ? 705 ARG A N 1 \nATOM 32 C CA . ARG A 1 13 ? 6.680 34.346 -2.183 1.00 37.73 ? 705 ARG A CA 1 \nATOM 33 C C . ARG A 1 13 ? 7.840 35.253 -2.555 1.00 41.05 ? 705 ARG A C 1 \nATOM 34 O O . ARG A 1 13 ? 8.844 35.319 -1.838 1.00 40.80 ? 705 ARG A O 1 \nATOM 35 C CB . ARG A 1 13 ? 5.837 34.997 -1.093 1.00 46.62 ? 705 ARG A CB 1 \nATOM 36 C CG . ARG A 1 13 ? 4.460 34.388 -0.965 1.00 48.65 ? 705 ARG A CG 1 \nATOM 37 C CD . ARG A 1 13 ? 3.829 34.763 0.358 1.00 65.57 ? 705 ARG A CD 1 \nATOM 38 N NE . ARG A 1 13 ? 2.514 35.377 0.173 1.00 86.68 ? 705 ARG A NE 1 \nATOM 39 C CZ . ARG A 1 13 ? 1.353 34.757 0.356 1.00 93.12 ? 705 ARG A CZ 1 \nATOM 40 N NH1 . ARG A 1 13 ? 1.317 33.485 0.736 1.00 98.53 ? 705 ARG A NH1 1 \nATOM 41 N NH2 . ARG A 1 13 ? 0.220 35.417 0.161 1.00 92.67 ? 705 ARG A NH2 1 \nATOM 42 N N . ILE A 1 14 ? 7.698 35.943 -3.686 1.00 39.60 ? 706 ILE A N 1 \nATOM 43 C CA . ILE A 1 14 ? 8.700 36.898 -4.116 1.00 43.49 ? 706 ILE A CA 1 \nATOM 44 C C . ILE A 1 14 ? 8.207 38.234 -3.610 1.00 47.29 ? 706 ILE A C 1 \nATOM 45 O O . ILE A 1 14 ? 7.260 38.798 -4.160 1.00 44.25 ? 706 ILE A O 1 \nATOM 46 C CB . ILE A 1 14 ? 8.837 36.961 -5.649 1.00 52.42 ? 706 ILE A CB 1 \nATOM 47 C CG1 . ILE A 1 14 ? 9.004 35.559 -6.256 1.00 51.04 ? 706 ILE A CG1 1 \nATOM 48 C CG2 . ILE A 1 14 ? 9.975 37.897 -6.048 1.00 53.78 ? 706 ILE A CG2 1 \nATOM 49 C CD1 . ILE A 1 14 ? 10.122 34.729 -5.654 1.00 43.80 ? 706 ILE A CD1 1 \nATOM 50 N N . LEU A 1 15 ? 8.836 38.729 -2.552 1.00 44.78 ? 707 LEU A N 1 \nATOM 51 C CA . LEU A 1 15 ? 8.365 39.947 -1.911 1.00 45.23 ? 707 LEU A CA 1 \nATOM 52 C C . LEU A 1 15 ? 9.109 41.154 -2.458 1.00 51.28 ? 707 LEU A C 1 \nATOM 53 O O . LEU A 1 15 ? 10.318 41.092 -2.692 1.00 49.23 ? 707 LEU A O 1 \nATOM 54 C CB . LEU A 1 15 ? 8.544 39.881 -0.391 1.00 47.65 ? 707 LEU A CB 1 \nATOM 55 C CG . LEU A 1 15 ? 8.012 38.705 0.428 1.00 54.52 ? 707 LEU A CG 1 \nATOM 56 C CD1 . LEU A 1 15 ? 8.324 38.928 1.896 1.00 43.38 ? 707 LEU A CD1 1 \nATOM 57 C CD2 . LEU A 1 15 ? 6.521 38.497 0.232 1.00 44.93 ? 707 LEU A CD2 1 \nATOM 58 N N . LYS A 1 16 ? 8.366 42.237 -2.676 1.00 49.18 ? 708 LYS A N 1 \nATOM 59 C CA . LYS A 1 16 ? 8.936 43.529 -3.035 1.00 61.50 ? 708 LYS A CA 1 \nATOM 60 C C . LYS A 1 16 ? 9.393 44.224 -1.768 1.00 50.76 ? 708 LYS A C 1 \nATOM 61 O O . LYS A 1 16 ? 8.770 44.070 -0.717 1.00 45.43 ? 708 LYS A O 1 \nATOM 62 C CB . LYS A 1 16 ? 7.891 44.407 -3.729 1.00 62.24 ? 708 LYS A CB 1 \nATOM 63 C CG . LYS A 1 16 ? 7.556 44.004 -5.157 1.00 77.38 ? 708 LYS A CG 1 \nATOM 64 C CD . LYS A 1 16 ? 6.048 43.943 -5.381 1.00 92.20 ? 708 LYS A CD 1 \nATOM 65 C CE . LYS A 1 16 ? 5.334 45.228 -4.984 1.00 96.25 ? 708 LYS A CE 1 \nATOM 66 N NZ . LYS A 1 16 ? 3.853 45.097 -5.081 1.00 100.00 ? 708 LYS A NZ 1 \nATOM 67 N N . GLU A 1 17 ? 10.473 44.994 -1.879 1.00 51.48 ? 709 GLU A N 1 \nATOM 68 C CA . GLU A 1 17 ? 11.019 45.768 -0.758 1.00 53.55 ? 709 GLU A CA 1 \nATOM 69 C C . GLU A 1 17 ? 9.963 46.612 -0.044 1.00 57.51 ? 709 GLU A C 1 \nATOM 70 O O . GLU A 1 17 ? 10.016 46.795 1.175 1.00 53.23 ? 709 GLU A O 1 \nATOM 71 C CB . GLU A 1 17 ? 12.169 46.651 -1.235 1.00 59.31 ? 709 GLU A CB 1 \nATOM 72 C CG . GLU A 1 17 ? 13.434 45.873 -1.562 1.00 72.06 ? 709 GLU A CG 1 \nATOM 73 C CD . GLU A 1 17 ? 14.597 46.768 -1.940 1.00 93.68 ? 709 GLU A CD 1 \nATOM 74 O OE1 . GLU A 1 17 ? 15.553 46.867 -1.141 1.00 83.68 ? 709 GLU A OE1 1 \nATOM 75 O OE2 . GLU A 1 17 ? 14.556 47.370 -3.037 1.00 102.62 ? 709 GLU A OE2 1 \nATOM 76 N N . THR A 1 18 ? 9.000 47.113 -0.809 1.00 57.55 ? 710 THR A N 1 \nATOM 77 C CA . THR A 1 18 ? 7.909 47.910 -0.252 1.00 61.28 ? 710 THR A CA 1 \nATOM 78 C C . THR A 1 18 ? 6.964 47.093 0.638 1.00 54.24 ? 710 THR A C 1 \nATOM 79 O O . THR A 1 18 ? 6.198 47.661 1.416 1.00 57.81 ? 710 THR A O 1 \nATOM 80 C CB . THR A 1 18 ? 7.093 48.606 -1.364 1.00 63.46 ? 710 THR A CB 1 \nATOM 81 O OG1 . THR A 1 18 ? 6.576 47.624 -2.275 1.00 63.38 ? 710 THR A OG1 1 \nATOM 82 C CG2 . THR A 1 18 ? 7.958 49.614 -2.128 1.00 61.93 ? 710 THR A CG2 1 \nATOM 83 N N . GLU A 1 19 ? 7.034 45.765 0.530 1.00 50.22 ? 711 GLU A N 1 \nATOM 84 C CA . GLU A 1 19 ? 6.124 44.862 1.239 1.00 56.68 ? 711 GLU A CA 1 \nATOM 85 C C . GLU A 1 19 ? 6.551 44.536 2.659 1.00 57.72 ? 711 GLU A C 1 \nATOM 86 O O . GLU A 1 19 ? 5.754 44.024 3.451 1.00 52.39 ? 711 GLU A O 1 \nATOM 87 C CB . GLU A 1 19 ? 6.023 43.535 0.507 1.00 61.93 ? 711 GLU A CB 1 \nATOM 88 C CG . GLU A 1 19 ? 5.118 43.514 -0.698 1.00 62.49 ? 711 GLU A CG 1 \nATOM 89 C CD . GLU A 1 19 ? 5.016 42.116 -1.252 1.00 59.26 ? 711 GLU A CD 1 \nATOM 90 O OE1 . GLU A 1 19 ? 5.574 41.880 -2.337 1.00 54.03 ? 711 GLU A OE1 1 \nATOM 91 O OE2 . GLU A 1 19 ? 4.413 41.250 -0.581 1.00 74.56 ? 711 GLU A OE2 1 \nATOM 92 N N . PHE A 1 20 ? 7.816 44.782 2.967 1.00 48.75 ? 712 PHE A N 1 \nATOM 93 C CA . PHE A 1 20 ? 8.343 44.449 4.291 1.00 54.26 ? 712 PHE A CA 1 \nATOM 94 C C . PHE A 1 20 ? 9.321 45.508 4.795 1.00 45.27 ? 712 PHE A C 1 \nATOM 95 O O . PHE A 1 20 ? 9.920 46.235 4.000 1.00 48.92 ? 712 PHE A O 1 \nATOM 96 C CB . PHE A 1 20 ? 8.976 43.045 4.294 1.00 46.56 ? 712 PHE A CB 1 \nATOM 97 C CG . PHE A 1 20 ? 10.222 42.928 3.457 1.00 42.91 ? 712 PHE A CG 1 \nATOM 98 C CD1 . PHE A 1 20 ? 11.483 43.010 4.046 1.00 51.07 ? 712 PHE A CD1 1 \nATOM 99 C CD2 . PHE A 1 20 ? 10.147 42.734 2.077 1.00 46.22 ? 712 PHE A CD2 1 \nATOM 100 C CE1 . PHE A 1 20 ? 12.644 42.902 3.285 1.00 44.32 ? 712 PHE A CE1 1 \nATOM 101 C CE2 . PHE A 1 20 ? 11.308 42.632 1.312 1.00 42.45 ? 712 PHE A CE2 1 \nATOM 102 C CZ . PHE A 1 20 ? 12.558 42.714 1.917 1.00 46.72 ? 712 PHE A CZ 1 \nATOM 103 N N . LYS A 1 21 ? 9.481 45.577 6.115 1.00 46.12 ? 713 LYS A N 1 \nATOM 104 C CA . LYS A 1 21 ? 10.320 46.606 6.756 1.00 45.30 ? 713 LYS A CA 1 \nATOM 105 C C . LYS A 1 21 ? 11.170 46.000 7.867 1.00 49.56 ? 713 LYS A C 1 \nATOM 106 O O . LYS A 1 21 ? 10.647 45.280 8.717 1.00 45.46 ? 713 LYS A O 1 \nATOM 107 C CB . LYS A 1 21 ? 9.456 47.720 7.356 1.00 49.90 ? 713 LYS A CB 1 \nATOM 108 C CG . LYS A 1 21 ? 8.771 48.628 6.353 1.00 61.39 ? 713 LYS A CG 1 \nATOM 109 C CD . LYS A 1 21 ? 7.824 49.599 7.050 1.00 81.27 ? 713 LYS A CD 1 \nATOM 110 C CE . LYS A 1 21 ? 6.888 50.280 6.056 1.00 69.86 ? 713 LYS A CE 1 \nATOM 111 N NZ . LYS A 1 21 ? 6.043 51.324 6.705 1.00 75.33 ? 713 LYS A NZ 1 \nATOM 112 N N . LYS A 1 22 ? 12.471 46.301 7.847 1.00 42.35 ? 714 LYS A N 1 \nATOM 113 C CA . LYS A 1 22 ? 13.389 45.951 8.930 1.00 46.11 ? 714 LYS A CA 1 \nATOM 114 C C . LYS A 1 22 ? 13.160 46.943 10.061 1.00 49.85 ? 714 LYS A C 1 \nATOM 115 O O . LYS A 1 22 ? 13.256 48.154 9.856 1.00 46.66 ? 714 LYS A O 1 \nATOM 116 C CB . LYS A 1 22 ? 14.845 46.063 8.477 1.00 49.54 ? 714 LYS A CB 1 \nATOM 117 C CG . LYS A 1 22 ? 15.287 45.129 7.369 1.00 53.76 ? 714 LYS A CG 1 \nATOM 118 C CD . LYS A 1 22 ? 16.780 45.310 7.156 1.00 53.79 ? 714 LYS A CD 1 \nATOM 119 C CE . LYS A 1 22 ? 17.258 44.686 5.862 1.00 52.83 ? 714 LYS A CE 1 \nATOM 120 N NZ . LYS A 1 22 ? 16.787 45.457 4.676 1.00 51.68 ? 714 LYS A NZ 1 \nATOM 121 N N . ILE A 1 23 ? 12.852 46.439 11.251 1.00 41.67 ? 715 ILE A N 1 \nATOM 122 C CA . ILE A 1 23 ? 12.489 47.317 12.368 1.00 48.15 ? 715 ILE A CA 1 \nATOM 123 C C . ILE A 1 23 ? 13.658 47.486 13.336 1.00 52.85 ? 715 ILE A C 1 \nATOM 124 O O . ILE A 1 23 ? 14.015 48.611 13.693 1.00 49.85 ? 715 ILE A O 1 \nATOM 125 C CB . ILE A 1 23 ? 11.191 46.843 13.061 1.00 41.49 ? 715 ILE A CB 1 \nATOM 126 C CG1 . ILE A 1 23 ? 10.029 47.003 12.077 1.00 54.99 ? 715 ILE A CG1 1 \nATOM 127 C CG2 . ILE A 1 23 ? 10.918 47.629 14.339 1.00 47.96 ? 715 ILE A CG2 1 \nATOM 128 C CD1 . ILE A 1 23 ? 8.670 46.667 12.641 1.00 54.20 ? 715 ILE A CD1 1 \nATOM 129 N N . LYS A 1 24 ? 14.260 46.369 13.744 1.00 43.46 ? 716 LYS A N 1 \nATOM 130 C CA . LYS A 1 24 ? 15.429 46.392 14.621 1.00 42.49 ? 716 LYS A CA 1 \nATOM 131 C C . LYS A 1 24 ? 16.392 45.271 14.247 1.00 45.76 ? 716 LYS A C 1 \nATOM 132 O O . LYS A 1 24 ? 15.983 44.237 13.719 1.00 37.65 ? 716 LYS A O 1 \nATOM 133 C CB . LYS A 1 24 ? 15.018 46.242 16.094 1.00 41.41 ? 716 LYS A CB 1 \nATOM 134 C CG . LYS A 1 24 ? 14.316 47.443 16.710 1.00 50.17 ? 716 LYS A CG 1 \nATOM 135 C CD . LYS A 1 24 ? 15.288 48.548 17.111 1.00 45.61 ? 716 LYS A CD 1 \nATOM 136 C CE . LYS A 1 24 ? 14.606 49.912 17.154 1.00 50.59 ? 716 LYS A CE 1 \nATOM 137 N NZ . LYS A 1 24 ? 13.715 50.066 18.332 1.00 57.19 ? 716 LYS A NZ 1 \nATOM 138 N N . VAL A 1 25 ? 17.673 45.475 14.541 1.00 41.16 ? 717 VAL A N 1 \nATOM 139 C CA . VAL A 1 25 ? 18.678 44.442 14.362 1.00 44.05 ? 717 VAL A CA 1 \nATOM 140 C C . VAL A 1 25 ? 18.537 43.387 15.446 1.00 43.45 ? 717 VAL A C 1 \nATOM 141 O O . VAL A 1 25 ? 18.310 43.709 16.608 1.00 42.18 ? 717 VAL A O 1 \nATOM 142 C CB . VAL A 1 25 ? 20.107 45.009 14.449 1.00 51.16 ? 717 VAL A CB 1 \nATOM 143 C CG1 . VAL A 1 25 ? 21.126 43.887 14.314 1.00 47.71 ? 717 VAL A CG1 1 \nATOM 144 C CG2 . VAL A 1 25 ? 20.336 46.059 13.379 1.00 50.70 ? 717 VAL A CG2 1 \nATOM 145 N N . LEU A 1 26 ? 18.670 42.119 15.068 1.00 37.54 ? 718 LEU A N 1 \nATOM 146 C CA . LEU A 1 26 ? 18.797 41.074 16.067 1.00 33.15 ? 718 LEU A CA 1 \nATOM 147 C C . LEU A 1 26 ? 20.279 40.757 16.246 1.00 37.30 ? 718 LEU A C 1 \nATOM 148 O O . LEU A 1 26 ? 20.810 40.967 17.326 1.00 35.69 ? 718 LEU A O 1 \nATOM 149 C CB . LEU A 1 26 ? 17.938 39.850 15.721 1.00 36.59 ? 718 LEU A CB 1 \nATOM 150 C CG . LEU A 1 26 ? 16.428 40.166 15.737 1.00 36.86 ? 718 LEU A CG 1 \nATOM 151 C CD1 . LEU A 1 26 ? 15.544 39.021 15.239 1.00 37.85 ? 718 LEU A CD1 1 \nATOM 152 C CD2 . LEU A 1 26 ? 15.991 40.593 17.131 1.00 43.64 ? 718 LEU A CD2 1 \nATOM 153 N N . GLY A 1 27 ? 20.953 40.292 15.192 1.00 36.46 ? 719 GLY A N 1 \nATOM 154 C CA . GLY A 1 27 ? 22.388 39.991 15.276 1.00 44.27 ? 719 GLY A CA 1 \nATOM 155 C C . GLY A 1 27 ? 23.000 39.439 14.002 1.00 57.08 ? 719 GLY A C 1 \nATOM 156 O O . GLY A 1 27 ? 22.282 39.077 13.066 1.00 53.06 ? 719 GLY A O 1 \nATOM 157 N N . SER A 1 28 ? 24.332 39.364 13.984 1.00 50.75 ? 720 SER A N 1 \nATOM 158 C CA . SER A 1 28 ? 25.091 38.813 12.856 1.00 51.92 ? 720 SER A CA 1 \nATOM 159 C C . SER A 1 28 ? 25.623 37.404 13.118 1.00 49.94 ? 720 SER A C 1 \nATOM 160 O O . SER A 1 28 ? 25.669 36.937 14.256 1.00 55.24 ? 720 SER A O 1 \nATOM 161 C CB . SER A 1 28 ? 26.258 39.736 12.495 1.00 63.92 ? 720 SER A CB 1 \nATOM 162 O OG . SER A 1 28 ? 25.807 40.883 11.797 1.00 68.03 ? 720 SER A OG 1 \nATOM 163 N N . GLY A 1 29 ? 26.029 36.737 12.043 1.00 57.18 ? 721 GLY A N 1 \nATOM 164 C CA . GLY A 1 29 ? 26.598 35.399 12.113 1.00 57.01 ? 721 GLY A CA 1 \nATOM 165 C C . GLY A 1 29 ? 27.510 35.199 10.922 1.00 63.27 ? 721 GLY A C 1 \nATOM 166 O O . GLY A 1 29 ? 27.672 36.108 10.098 1.00 61.34 ? 721 GLY A O 1 \nATOM 167 N N . ALA A 1 30 ? 28.107 34.012 10.835 1.00 71.41 ? 722 ALA A N 1 \nATOM 168 C CA . ALA A 1 30 ? 28.983 33.644 9.716 1.00 73.15 ? 722 ALA A CA 1 \nATOM 169 C C . ALA A 1 30 ? 28.313 33.834 8.352 1.00 71.72 ? 722 ALA A C 1 \nATOM 170 O O . ALA A 1 30 ? 28.929 34.359 7.417 1.00 59.12 ? 722 ALA A O 1 \nATOM 171 C CB . ALA A 1 30 ? 29.472 32.207 9.870 1.00 75.65 ? 722 ALA A CB 1 \nATOM 172 N N . PHE A 1 31 ? 27.048 33.425 8.245 1.00 55.28 ? 723 PHE A N 1 \nATOM 173 C CA . PHE A 1 31 ? 26.364 33.451 6.959 1.00 45.36 ? 723 PHE A CA 1 \nATOM 174 C C . PHE A 1 31 ? 25.582 34.728 6.671 1.00 48.16 ? 723 PHE A C 1 \nATOM 175 O O . PHE A 1 31 ? 25.209 34.967 5.523 1.00 48.85 ? 723 PHE A O 1 \nATOM 176 C CB . PHE A 1 31 ? 25.478 32.207 6.773 1.00 54.29 ? 723 PHE A CB 1 \nATOM 177 C CG . PHE A 1 31 ? 26.238 30.908 6.806 1.00 54.47 ? 723 PHE A CG 1 \nATOM 178 C CD1 . PHE A 1 31 ? 25.767 29.831 7.558 1.00 50.67 ? 723 PHE A CD1 1 \nATOM 179 C CD2 . PHE A 1 31 ? 27.441 30.759 6.102 1.00 49.42 ? 723 PHE A CD2 1 \nATOM 180 C CE1 . PHE A 1 31 ? 26.475 28.635 7.608 1.00 55.72 ? 723 PHE A CE1 1 \nATOM 181 C CE2 . PHE A 1 31 ? 28.142 29.562 6.141 1.00 43.55 ? 723 PHE A CE2 1 \nATOM 182 C CZ . PHE A 1 31 ? 27.667 28.504 6.905 1.00 48.56 ? 723 PHE A CZ 1 \nATOM 183 N N . GLY A 1 32 ? 25.325 35.543 7.693 1.00 43.86 ? 724 GLY A N 1 \nATOM 184 C CA . GLY A 1 32 ? 24.590 36.788 7.469 1.00 31.49 ? 724 GLY A CA 1 \nATOM 185 C C . GLY A 1 32 ? 24.017 37.449 8.711 1.00 41.98 ? 724 GLY A C 1 \nATOM 186 O O . GLY A 1 32 ? 24.322 37.039 9.836 1.00 47.37 ? 724 GLY A O 1 \nATOM 187 N N . THR A 1 33 ? 23.156 38.446 8.488 1.00 38.68 ? 725 THR A N 1 \nATOM 188 C CA . THR A 1 33 ? 22.603 39.310 9.542 1.00 38.78 ? 725 THR A CA 1 \nATOM 189 C C . THR A 1 33 ? 21.065 39.285 9.625 1.00 38.49 ? 725 THR A C 1 \nATOM 190 O O . THR A 1 33 ? 20.391 39.449 8.608 1.00 33.98 ? 725 THR A O 1 \nATOM 191 C CB . THR A 1 33 ? 23.053 40.762 9.320 1.00 49.97 ? 725 THR A CB 1 \nATOM 192 O OG1 . THR A 1 33 ? 24.483 40.810 9.375 1.00 46.95 ? 725 THR A OG1 1 \nATOM 193 C CG2 . THR A 1 33 ? 22.472 41.700 10.383 1.00 44.75 ? 725 THR A CG2 1 \nATOM 194 N N . VAL A 1 34 ? 20.534 39.134 10.842 1.00 32.51 ? 726 VAL A N 1 \nATOM 195 C CA . VAL A 1 34 ? 19.070 38.979 11.051 1.00 35.80 ? 726 VAL A CA 1 \nATOM 196 C C . VAL A 1 34 ? 18.414 40.191 11.729 1.00 34.03 ? 726 VAL A C 1 \nATOM 197 O O . VAL A 1 34 ? 18.988 40.751 12.672 1.00 34.12 ? 726 VAL A O 1 \nATOM 198 C CB . VAL A 1 34 ? 18.745 37.679 11.833 1.00 33.62 ? 726 VAL A CB 1 \nATOM 199 C CG1 . VAL A 1 34 ? 17.231 37.439 11.869 1.00 35.20 ? 726 VAL A CG1 1 \nATOM 200 C CG2 . VAL A 1 34 ? 19.400 36.488 11.163 1.00 37.39 ? 726 VAL A CG2 1 \nATOM 201 N N . TYR A 1 35 ? 17.215 40.566 11.254 1.00 33.84 ? 727 TYR A N 1 \nATOM 202 C CA . TYR A 1 35 ? 16.439 41.698 11.760 1.00 32.33 ? 727 TYR A CA 1 \nATOM 203 C C . TYR A 1 35 ? 15.042 41.252 12.170 1.00 37.12 ? 727 TYR A C 1 \nATOM 204 O O . TYR A 1 35 ? 14.463 40.338 11.555 1.00 34.66 ? 727 TYR A O 1 \nATOM 205 C CB . TYR A 1 35 ? 16.246 42.780 10.672 1.00 34.43 ? 727 TYR A CB 1 \nATOM 206 C CG . TYR A 1 35 ? 17.514 43.312 10.073 1.00 40.06 ? 727 TYR A CG 1 \nATOM 207 C CD1 . TYR A 1 35 ? 18.048 44.535 10.495 1.00 44.66 ? 727 TYR A CD1 1 \nATOM 208 C CD2 . TYR A 1 35 ? 18.204 42.586 9.100 1.00 48.07 ? 727 TYR A CD2 1 \nATOM 209 C CE1 . TYR A 1 35 ? 19.233 45.017 9.958 1.00 40.67 ? 727 TYR A CE1 1 \nATOM 210 C CE2 . TYR A 1 35 ? 19.393 43.057 8.559 1.00 45.69 ? 727 TYR A CE2 1 \nATOM 211 C CZ . TYR A 1 35 ? 19.897 44.277 8.987 1.00 50.79 ? 727 TYR A CZ 1 \nATOM 212 O OH . TYR A 1 35 ? 21.076 44.738 8.449 1.00 40.87 ? 727 TYR A OH 1 \nATOM 213 N N . LYS A 1 36 ? 14.496 41.908 13.186 1.00 31.04 ? 728 LYS A N 1 \nATOM 214 C CA . LYS A 1 36 ? 13.046 41.836 13.452 1.00 34.53 ? 728 LYS A CA 1 \nATOM 215 C C . LYS A 1 36 ? 12.362 42.756 12.451 1.00 38.87 ? 728 LYS A C 1 \nATOM 216 O O . LYS A 1 36 ? 12.862 43.841 12.167 1.00 39.43 ? 728 LYS A O 1 \nATOM 217 C CB . LYS A 1 36 ? 12.735 42.293 14.875 1.00 39.98 ? 728 LYS A CB 1 \nATOM 218 C CG . LYS A 1 36 ? 11.263 42.187 15.275 1.00 50.05 ? 728 LYS A CG 1 \nATOM 219 C CD . LYS A 1 36 ? 10.997 42.809 16.640 1.00 41.41 ? 728 LYS A CD 1 \nATOM 220 C CE . LYS A 1 36 ? 10.879 44.322 16.557 1.00 49.69 ? 728 LYS A CE 1 \nATOM 221 N NZ . LYS A 1 36 ? 10.778 44.921 17.913 1.00 50.16 ? 728 LYS A NZ 1 \nATOM 222 N N . GLY A 1 37 ? 11.222 42.334 11.912 1.00 38.44 ? 729 GLY A N 1 \nATOM 223 C CA . GLY A 1 37 ? 10.526 43.156 10.939 1.00 40.01 ? 729 GLY A CA 1 \nATOM 224 C C . GLY A 1 37 ? 9.034 42.913 10.861 1.00 36.82 ? 729 GLY A C 1 \nATOM 225 O O . GLY A 1 37 ? 8.488 42.144 11.635 1.00 33.00 ? 729 GLY A O 1 \nATOM 226 N N . LEU A 1 38 ? 8.388 43.608 9.930 1.00 42.24 ? 730 LEU A N 1 \nATOM 227 C CA . LEU A 1 38 ? 6.978 43.392 9.627 1.00 41.16 ? 730 LEU A CA 1 \nATOM 228 C C . LEU A 1 38 ? 6.790 43.121 8.139 1.00 37.54 ? 730 LEU A C 1 \nATOM 229 O O . LEU A 1 38 ? 7.381 43.794 7.295 1.00 43.28 ? 730 LEU A O 1 \nATOM 230 C CB . LEU A 1 38 ? 6.128 44.602 10.042 1.00 55.61 ? 730 LEU A CB 1 \nATOM 231 C CG . LEU A 1 38 ? 5.797 44.815 11.522 1.00 54.61 ? 730 LEU A CG 1 \nATOM 232 C CD1 . LEU A 1 38 ? 5.056 46.134 11.690 1.00 55.22 ? 730 LEU A CD1 1 \nATOM 233 C CD2 . LEU A 1 38 ? 4.985 43.665 12.105 1.00 62.65 ? 730 LEU A CD2 1 \nATOM 234 N N . TRP A 1 39 ? 5.976 42.119 7.831 1.00 42.21 ? 731 TRP A N 1 \nATOM 235 C CA . TRP A 1 39 ? 5.575 41.865 6.463 1.00 38.29 ? 731 TRP A CA 1 \nATOM 236 C C . TRP A 1 39 ? 4.115 42.307 6.264 1.00 44.54 ? 731 TRP A C 1 \nATOM 237 O O . TRP A 1 39 ? 3.205 41.854 6.974 1.00 40.95 ? 731 TRP A O 1 \nATOM 238 C CB . TRP A 1 39 ? 5.791 40.400 6.085 1.00 44.76 ? 731 TRP A CB 1 \nATOM 239 C CG . TRP A 1 39 ? 5.239 40.023 4.741 1.00 49.04 ? 731 TRP A CG 1 \nATOM 240 C CD1 . TRP A 1 39 ? 5.266 40.773 3.595 1.00 56.68 ? 731 TRP A CD1 1 \nATOM 241 C CD2 . TRP A 1 39 ? 4.591 38.792 4.399 1.00 57.71 ? 731 TRP A CD2 1 \nATOM 242 N NE1 . TRP A 1 39 ? 4.663 40.089 2.569 1.00 61.09 ? 731 TRP A NE1 1 \nATOM 243 C CE2 . TRP A 1 39 ? 4.244 38.869 3.032 1.00 55.11 ? 731 TRP A CE2 1 \nATOM 244 C CE3 . TRP A 1 39 ? 4.266 37.631 5.118 1.00 50.16 ? 731 TRP A CE3 1 \nATOM 245 C CZ2 . TRP A 1 39 ? 3.587 37.833 2.369 1.00 65.58 ? 731 TRP A CZ2 1 \nATOM 246 C CZ3 . TRP A 1 39 ? 3.615 36.603 4.461 1.00 59.33 ? 731 TRP A CZ3 1 \nATOM 247 C CH2 . TRP A 1 39 ? 3.276 36.713 3.098 1.00 60.58 ? 731 TRP A CH2 1 \nATOM 248 N N . ILE A 1 40 ? 3.936 43.209 5.304 1.00 46.64 ? 732 ILE A N 1 \nATOM 249 C CA . ILE A 1 40 ? 2.625 43.709 4.887 1.00 54.61 ? 732 ILE A CA 1 \nATOM 250 C C . ILE A 1 40 ? 2.347 43.178 3.476 1.00 52.31 ? 732 ILE A C 1 \nATOM 251 O O . ILE A 1 40 ? 2.779 43.779 2.492 1.00 58.58 ? 732 ILE A O 1 \nATOM 252 C CB . ILE A 1 40 ? 2.602 45.255 4.904 1.00 54.63 ? 732 ILE A CB 1 \nATOM 253 C CG1 . ILE A 1 40 ? 3.132 45.776 6.246 1.00 54.82 ? 732 ILE A CG1 1 \nATOM 254 C CG2 . ILE A 1 40 ? 1.194 45.787 4.641 1.00 66.79 ? 732 ILE A CG2 1 \nATOM 255 C CD1 . ILE A 1 40 ? 3.898 47.083 6.154 1.00 59.18 ? 732 ILE A CD1 1 \nATOM 256 N N . PRO A 1 41 ? 1.668 42.016 3.370 1.00 54.05 ? 733 PRO A N 1 \nATOM 257 C CA . PRO A 1 41 ? 1.327 41.500 2.042 1.00 58.55 ? 733 PRO A CA 1 \nATOM 258 C C . PRO A 1 41 ? 0.630 42.595 1.229 1.00 65.49 ? 733 PRO A C 1 \nATOM 259 O O . PRO A 1 41 ? -0.188 43.342 1.778 1.00 49.96 ? 733 PRO A O 1 \nATOM 260 C CB . PRO A 1 41 ? 0.373 40.346 2.348 1.00 64.25 ? 733 PRO A CB 1 \nATOM 261 C CG . PRO A 1 41 ? 0.768 39.882 3.707 1.00 61.88 ? 733 PRO A CG 1 \nATOM 262 C CD . PRO A 1 41 ? 1.226 41.110 4.446 1.00 62.75 ? 733 PRO A CD 1 \nATOM 263 N N . GLU A 1 42 ? 0.979 42.695 -0.052 1.00 70.24 ? 734 GLU A N 1 \nATOM 264 C CA . GLU A 1 42 ? 0.686 43.884 -0.872 1.00 94.73 ? 734 GLU A CA 1 \nATOM 265 C C . GLU A 1 42 ? -0.777 44.355 -0.899 1.00 97.63 ? 734 GLU A C 1 \nATOM 266 O O . GLU A 1 42 ? -1.074 45.485 -0.500 1.00 94.38 ? 734 GLU A O 1 \nATOM 267 C CB . GLU A 1 42 ? 1.246 43.724 -2.298 1.00 109.10 ? 734 GLU A CB 1 \nATOM 268 C CG . GLU A 1 42 ? 1.023 42.356 -2.932 1.00 121.90 ? 734 GLU A CG 1 \nATOM 269 C CD . GLU A 1 42 ? 2.032 42.040 -4.022 1.00 137.46 ? 734 GLU A CD 1 \nATOM 270 O OE1 . GLU A 1 42 ? 2.181 42.851 -4.963 1.00 133.69 ? 734 GLU A OE1 1 \nATOM 271 O OE2 . GLU A 1 42 ? 2.677 40.973 -3.941 1.00 133.05 ? 734 GLU A OE2 1 \nATOM 272 N N . GLY A 1 43 ? -1.679 43.493 -1.356 1.00 77.00 ? 735 GLY A N 1 \nATOM 273 C CA . GLY A 1 43 ? -3.081 43.876 -1.524 1.00 102.31 ? 735 GLY A CA 1 \nATOM 274 C C . GLY A 1 43 ? -3.886 43.756 -0.246 1.00 94.49 ? 735 GLY A C 1 \nATOM 275 O O . GLY A 1 43 ? -4.924 44.398 -0.090 1.00 87.16 ? 735 GLY A O 1 \nATOM 276 N N . GLU A 1 44 ? -3.388 42.942 0.677 1.00 84.67 ? 736 GLU A N 1 \nATOM 277 C CA . GLU A 1 44 ? -4.127 42.579 1.880 1.00 78.16 ? 736 GLU A CA 1 \nATOM 278 C C . GLU A 1 44 ? -4.024 43.678 2.935 1.00 83.43 ? 736 GLU A C 1 \nATOM 279 O O . GLU A 1 44 ? -3.373 44.703 2.709 1.00 81.42 ? 736 GLU A O 1 \nATOM 280 C CB . GLU A 1 44 ? -3.615 41.237 2.397 1.00 81.23 ? 736 GLU A CB 1 \nATOM 281 C CG . GLU A 1 44 ? -3.274 40.281 1.260 1.00 77.57 ? 736 GLU A CG 1 \nATOM 282 C CD . GLU A 1 44 ? -2.886 38.898 1.726 1.00 87.99 ? 736 GLU A CD 1 \nATOM 283 O OE1 . GLU A 1 44 ? -1.955 38.315 1.129 1.00 79.62 ? 736 GLU A OE1 1 \nATOM 284 O OE2 . GLU A 1 44 ? -3.512 38.390 2.680 1.00 96.84 ? 736 GLU A OE2 1 \nATOM 285 N N . LYS A 1 45 ? -4.679 43.481 4.076 1.00 74.52 ? 737 LYS A N 1 \nATOM 286 C CA . LYS A 1 45 ? -4.699 44.519 5.107 1.00 87.38 ? 737 LYS A CA 1 \nATOM 287 C C . LYS A 1 45 ? -4.260 44.016 6.485 1.00 96.71 ? 737 LYS A C 1 \nATOM 288 O O . LYS A 1 45 ? -4.977 44.181 7.477 1.00 109.85 ? 737 LYS A O 1 \nATOM 289 C CB . LYS A 1 45 ? -6.077 45.199 5.170 1.00 102.72 ? 737 LYS A CB 1 \nATOM 290 C CG . LYS A 1 45 ? -6.406 46.051 3.949 1.00 109.69 ? 737 LYS A CG 1 \nATOM 291 C CD . LYS A 1 45 ? -7.648 46.936 4.172 1.00 118.48 ? 737 LYS A CD 1 \nATOM 292 C CE . LYS A 1 45 ? -7.282 48.276 4.851 1.00 123.12 ? 737 LYS A CE 1 \nATOM 293 N NZ . LYS A 1 45 ? -8.538 49.108 5.062 1.00 124.87 ? 737 LYS A NZ 1 \nATOM 294 N N . VAL A 1 46 ? -3.074 43.406 6.534 1.00 81.63 ? 738 VAL A N 1 \nATOM 295 C CA . VAL A 1 46 ? -2.501 42.891 7.786 1.00 70.23 ? 738 VAL A CA 1 \nATOM 296 C C . VAL A 1 46 ? -0.992 43.163 7.922 1.00 67.18 ? 738 VAL A C 1 \nATOM 297 O O . VAL A 1 46 ? -0.292 43.394 6.933 1.00 49.00 ? 738 VAL A O 1 \nATOM 298 C CB . VAL A 1 46 ? -2.770 41.373 7.985 1.00 75.03 ? 738 VAL A CB 1 \nATOM 299 C CG1 . VAL A 1 46 ? -4.250 41.103 8.236 1.00 86.92 ? 738 VAL A CG1 1 \nATOM 300 C CG2 . VAL A 1 46 ? -2.252 40.551 6.808 1.00 64.70 ? 738 VAL A CG2 1 \nATOM 301 N N . LYS A 1 47 ? -0.516 43.146 9.165 1.00 59.40 ? 739 LYS A N 1 \nATOM 302 C CA . LYS A 1 47 ? 0.904 43.256 9.475 1.00 60.90 ? 739 LYS A CA 1 \nATOM 303 C C . LYS A 1 47 ? 1.318 41.933 10.119 1.00 50.28 ? 739 LYS A C 1 \nATOM 304 O O . LYS A 1 47 ? 0.703 41.504 11.090 1.00 49.12 ? 739 LYS A O 1 \nATOM 305 C CB . LYS A 1 47 ? 1.147 44.419 10.443 1.00 54.97 ? 739 LYS A CB 1 \nATOM 306 C CG . LYS A 1 47 ? 0.870 45.811 9.886 1.00 67.55 ? 739 LYS A CG 1 \nATOM 307 C CD . LYS A 1 47 ? 0.807 46.815 11.029 1.00 68.22 ? 739 LYS A CD 1 \nATOM 308 C CE . LYS A 1 47 ? 0.849 48.258 10.555 1.00 69.70 ? 739 LYS A CE 1 \nATOM 309 N NZ . LYS A 1 47 ? 0.897 49.182 11.726 1.00 63.68 ? 739 LYS A NZ 1 \nATOM 310 N N . ILE A 1 48 ? 2.334 41.275 9.569 1.00 53.92 ? 740 ILE A N 1 \nATOM 311 C CA . ILE A 1 48 ? 2.775 39.976 10.098 1.00 43.42 ? 740 ILE A CA 1 \nATOM 312 C C . ILE A 1 48 ? 4.222 40.069 10.602 1.00 38.89 ? 740 ILE A C 1 \nATOM 313 O O . ILE A 1 48 ? 5.111 40.395 9.830 1.00 37.20 ? 740 ILE A O 1 \nATOM 314 C CB . ILE A 1 48 ? 2.637 38.847 9.043 1.00 47.72 ? 740 ILE A CB 1 \nATOM 315 C CG1 . ILE A 1 48 ? 1.192 38.754 8.531 1.00 44.69 ? 740 ILE A CG1 1 \nATOM 316 C CG2 . ILE A 1 48 ? 3.097 37.499 9.607 1.00 42.82 ? 740 ILE A CG2 1 \nATOM 317 C CD1 . ILE A 1 48 ? 1.076 38.138 7.152 1.00 46.45 ? 740 ILE A CD1 1 \nATOM 318 N N . PRO A 1 49 ? 4.452 39.781 11.897 1.00 40.77 ? 741 PRO A N 1 \nATOM 319 C CA . PRO A 1 49 ? 5.827 39.786 12.440 1.00 39.30 ? 741 PRO A CA 1 \nATOM 320 C C . PRO A 1 49 ? 6.717 38.738 11.759 1.00 38.75 ? 741 PRO A C 1 \nATOM 321 O O . PRO A 1 49 ? 6.362 37.551 11.684 1.00 38.50 ? 741 PRO A O 1 \nATOM 322 C CB . PRO A 1 49 ? 5.632 39.455 13.923 1.00 38.97 ? 741 PRO A CB 1 \nATOM 323 C CG . PRO A 1 49 ? 4.153 39.637 14.186 1.00 41.99 ? 741 PRO A CG 1 \nATOM 324 C CD . PRO A 1 49 ? 3.478 39.309 12.893 1.00 42.15 ? 741 PRO A CD 1 \nATOM 325 N N . VAL A 1 50 ? 7.853 39.202 11.251 1.00 38.86 ? 742 VAL A N 1 \nATOM 326 C CA . VAL A 1 50 ? 8.786 38.356 10.514 1.00 38.13 ? 742 VAL A CA 1 \nATOM 327 C C . VAL A 1 50 ? 10.231 38.581 11.005 1.00 34.95 ? 742 VAL A C 1 \nATOM 328 O O . VAL A 1 50 ? 10.561 39.632 11.583 1.00 34.01 ? 742 VAL A O 1 \nATOM 329 C CB . VAL A 1 50 ? 8.687 38.599 8.982 1.00 37.29 ? 742 VAL A CB 1 \nATOM 330 C CG1 . VAL A 1 50 ? 7.346 38.112 8.437 1.00 40.56 ? 742 VAL A CG1 1 \nATOM 331 C CG2 . VAL A 1 50 ? 8.931 40.075 8.615 1.00 37.85 ? 742 VAL A CG2 1 \nATOM 332 N N . ALA A 1 51 ? 11.064 37.564 10.815 1.00 30.95 ? 743 ALA A N 1 \nATOM 333 C CA . ALA A 1 51 ? 12.504 37.735 10.909 1.00 31.06 ? 743 ALA A CA 1 \nATOM 334 C C . ALA A 1 51 ? 12.971 37.867 9.468 1.00 29.26 ? 743 ALA A C 1 \nATOM 335 O O . ALA A 1 51 ? 12.443 37.205 8.545 1.00 29.67 ? 743 ALA A O 1 \nATOM 336 C CB . ALA A 1 51 ? 13.145 36.521 11.607 1.00 27.75 ? 743 ALA A CB 1 \nATOM 337 N N . ILE A 1 52 ? 13.960 38.729 9.257 1.00 29.82 ? 744 ILE A N 1 \nATOM 338 C CA . ILE A 1 52 ? 14.482 38.989 7.941 1.00 26.91 ? 744 ILE A CA 1 \nATOM 339 C C . ILE A 1 52 ? 15.996 38.776 7.997 1.00 32.94 ? 744 ILE A C 1 \nATOM 340 O O . ILE A 1 52 ? 16.659 39.439 8.787 1.00 31.67 ? 744 ILE A O 1 \nATOM 341 C CB . ILE A 1 52 ? 14.187 40.451 7.521 1.00 32.45 ? 744 ILE A CB 1 \nATOM 342 C CG1 . ILE A 1 52 ? 12.668 40.686 7.463 1.00 33.88 ? 744 ILE A CG1 1 \nATOM 343 C CG2 . ILE A 1 52 ? 14.811 40.752 6.170 1.00 33.17 ? 744 ILE A CG2 1 \nATOM 344 C CD1 . ILE A 1 52 ? 12.266 42.143 7.435 1.00 43.30 ? 744 ILE A CD1 1 \nATOM 345 N N . LYS A 1 53 ? 16.513 37.833 7.209 1.00 31.04 ? 745 LYS A N 1 \nATOM 346 C CA . LYS A 1 53 ? 17.973 37.573 7.139 1.00 31.99 ? 745 LYS A CA 1 \nATOM 347 C C . LYS A 1 53 ? 18.524 38.109 5.822 1.00 39.09 ? 745 LYS A C 1 \nATOM 348 O O . LYS A 1 53 ? 18.134 37.638 4.751 1.00 38.70 ? 745 LYS A O 1 \nATOM 349 C CB . LYS A 1 53 ? 18.294 36.063 7.319 1.00 28.72 ? 745 LYS A CB 1 \nATOM 350 C CG . LYS A 1 53 ? 19.802 35.726 7.423 1.00 31.87 ? 745 LYS A CG 1 \nATOM 351 C CD . LYS A 1 53 ? 20.007 34.389 8.138 1.00 31.76 ? 745 LYS A CD 1 \nATOM 352 C CE . LYS A 1 53 ? 21.491 34.095 8.338 1.00 35.24 ? 745 LYS A CE 1 \nATOM 353 N NZ . LYS A 1 53 ? 21.698 32.907 9.205 1.00 39.22 ? 745 LYS A NZ 1 \nATOM 354 N N . GLU A 1 54 ? 19.416 39.106 5.904 1.00 34.93 ? 746 GLU A N 1 \nATOM 355 C CA . GLU A 1 54 ? 20.142 39.638 4.746 1.00 33.61 ? 746 GLU A CA 1 \nATOM 356 C C . GLU A 1 54 ? 21.526 38.979 4.663 1.00 41.73 ? 746 GLU A C 1 \nATOM 357 O O . GLU A 1 54 ? 22.298 39.054 5.609 1.00 40.63 ? 746 GLU A O 1 \nATOM 358 C CB . GLU A 1 54 ? 20.301 41.152 4.901 1.00 38.35 ? 746 GLU A CB 1 \nATOM 359 C CG . GLU A 1 54 ? 20.665 41.861 3.615 1.00 43.31 ? 746 GLU A CG 1 \nATOM 360 C CD . GLU A 1 54 ? 20.339 43.344 3.649 1.00 56.57 ? 746 GLU A CD 1 \nATOM 361 O OE1 . GLU A 1 54 ? 20.746 44.024 4.616 1.00 60.73 ? 746 GLU A OE1 1 \nATOM 362 O OE2 . GLU A 1 54 ? 19.673 43.828 2.704 1.00 56.47 ? 746 GLU A OE2 1 \nATOM 363 N N . LEU A 1 55 ? 21.833 38.337 3.537 1.00 44.06 ? 747 LEU A N 1 \nATOM 364 C CA . LEU A 1 55 ? 23.024 37.488 3.450 1.00 49.19 ? 747 LEU A CA 1 \nATOM 365 C C . LEU A 1 55 ? 24.281 38.279 3.131 1.00 60.11 ? 747 LEU A C 1 \nATOM 366 O O . LEU A 1 55 ? 24.202 39.411 2.649 1.00 50.14 ? 747 LEU A O 1 \nATOM 367 C CB . LEU A 1 55 ? 22.837 36.348 2.436 1.00 42.55 ? 747 LEU A CB 1 \nATOM 368 C CG . LEU A 1 55 ? 21.603 35.433 2.522 1.00 47.94 ? 747 LEU A CG 1 \nATOM 369 C CD1 . LEU A 1 55 ? 21.721 34.261 1.547 1.00 56.88 ? 747 LEU A CD1 1 \nATOM 370 C CD2 . LEU A 1 55 ? 21.335 34.931 3.938 1.00 48.40 ? 747 LEU A CD2 1 \nATOM 371 N N . ARG A 1 56 ? 25.429 37.670 3.439 1.00 66.18 ? 748 ARG A N 1 \nATOM 372 C CA . ARG A 1 56 ? 26.741 38.168 3.020 1.00 88.68 ? 748 ARG A CA 1 \nATOM 373 C C . ARG A 1 56 ? 26.890 37.940 1.518 1.00 83.15 ? 748 ARG A C 1 \nATOM 374 O O . ARG A 1 56 ? 26.540 36.871 1.007 1.00 58.47 ? 748 ARG A O 1 \nATOM 375 C CB . ARG A 1 56 ? 27.867 37.432 3.760 1.00 95.20 ? 748 ARG A CB 1 \nATOM 376 C CG . ARG A 1 56 ? 27.684 37.308 5.267 1.00 111.81 ? 748 ARG A CG 1 \nATOM 377 C CD . ARG A 1 56 ? 28.485 38.345 6.036 1.00 116.77 ? 748 ARG A CD 1 \nATOM 378 N NE . ARG A 1 56 ? 28.166 38.317 7.463 1.00 121.49 ? 748 ARG A NE 1 \nATOM 379 C CZ . ARG A 1 56 ? 28.992 38.701 8.434 1.00 124.58 ? 748 ARG A CZ 1 \nATOM 380 N NH1 . ARG A 1 56 ? 28.598 38.637 9.698 1.00 118.79 ? 748 ARG A NH1 1 \nATOM 381 N NH2 . ARG A 1 56 ? 30.213 39.139 8.150 1.00 121.87 ? 748 ARG A NH2 1 \nATOM 382 N N . GLU A 1 57 ? 27.406 38.949 0.821 1.00 98.46 ? 749 GLU A N 1 \nATOM 383 C CA . GLU A 1 57 ? 27.601 38.891 -0.630 1.00 109.01 ? 749 GLU A CA 1 \nATOM 384 C C . GLU A 1 57 ? 28.856 38.102 -1.017 1.00 119.10 ? 749 GLU A C 1 \nATOM 385 O O . GLU A 1 57 ? 29.662 37.740 -0.156 1.00 127.74 ? 749 GLU A O 1 \nATOM 386 C CB . GLU A 1 57 ? 27.675 40.307 -1.207 1.00 107.94 ? 749 GLU A CB 1 \nATOM 387 C CG . GLU A 1 57 ? 26.412 41.134 -1.012 1.00 122.50 ? 749 GLU A CG 1 \nATOM 388 C CD . GLU A 1 57 ? 26.530 42.544 -1.567 1.00 131.75 ? 749 GLU A CD 1 \nATOM 389 O OE1 . GLU A 1 57 ? 27.541 42.855 -2.234 1.00 129.10 ? 749 GLU A OE1 1 \nATOM 390 O OE2 . GLU A 1 57 ? 25.601 43.347 -1.337 1.00 141.68 ? 749 GLU A OE2 1 \nATOM 391 N N . ALA A 1 58 ? 29.008 37.836 -2.315 1.00 115.00 ? 750 ALA A N 1 \nATOM 392 C CA . ALA A 1 58 ? 30.204 37.181 -2.856 1.00 118.99 ? 750 ALA A CA 1 \nATOM 393 C C . ALA A 1 58 ? 30.743 37.944 -4.068 1.00 126.64 ? 750 ALA A C 1 \nATOM 394 O O . ALA A 1 58 ? 30.009 38.716 -4.692 1.00 142.14 ? 750 ALA A O 1 \nATOM 395 C CB . ALA A 1 58 ? 29.900 35.736 -3.224 1.00 111.74 ? 750 ALA A CB 1 \nATOM 396 N N . THR A 1 59 ? 32.022 37.735 -4.391 1.00 123.82 ? 751 THR A N 1 \nATOM 397 C CA . THR A 1 59 ? 32.648 38.356 -5.569 1.00 124.40 ? 751 THR A CA 1 \nATOM 398 C C . THR A 1 59 ? 32.044 37.774 -6.848 1.00 124.78 ? 751 THR A C 1 \nATOM 399 O O . THR A 1 59 ? 31.735 38.509 -7.791 1.00 116.74 ? 751 THR A O 1 \nATOM 400 C CB . THR A 1 59 ? 34.185 38.166 -5.588 1.00 118.19 ? 751 THR A CB 1 \nATOM 401 O OG1 . THR A 1 59 ? 34.721 38.383 -4.277 1.00 103.31 ? 751 THR A OG1 1 \nATOM 402 C CG2 . THR A 1 59 ? 34.848 39.136 -6.573 1.00 100.42 ? 751 THR A CG2 1 \nATOM 403 N N . SER A 1 60 ? 31.885 36.451 -6.862 1.00 121.20 ? 752 SER A N 1 \nATOM 404 C CA . SER A 1 60 ? 31.194 35.752 -7.939 1.00 135.31 ? 752 SER A CA 1 \nATOM 405 C C . SER A 1 60 ? 29.938 35.072 -7.380 1.00 129.14 ? 752 SER A C 1 \nATOM 406 O O . SER A 1 60 ? 29.976 33.894 -7.008 1.00 125.03 ? 752 SER A O 1 \nATOM 407 C CB . SER A 1 60 ? 32.123 34.735 -8.613 1.00 131.46 ? 752 SER A CB 1 \nATOM 408 O OG . SER A 1 60 ? 31.457 34.039 -9.655 1.00 119.19 ? 752 SER A OG 1 \nATOM 409 N N . PRO A 1 61 ? 28.819 35.821 -7.308 1.00 118.58 ? 753 PRO A N 1 \nATOM 410 C CA . PRO A 1 61 ? 27.589 35.277 -6.740 1.00 106.64 ? 753 PRO A CA 1 \nATOM 411 C C . PRO A 1 61 ? 26.877 34.351 -7.720 1.00 97.42 ? 753 PRO A C 1 \nATOM 412 O O . PRO A 1 61 ? 27.150 34.390 -8.922 1.00 88.50 ? 753 PRO A O 1 \nATOM 413 C CB . PRO A 1 61 ? 26.730 36.526 -6.474 1.00 107.50 ? 753 PRO A CB 1 \nATOM 414 C CG . PRO A 1 61 ? 27.528 37.708 -6.938 1.00 107.49 ? 753 PRO A CG 1 \nATOM 415 C CD . PRO A 1 61 ? 28.618 37.187 -7.821 1.00 102.77 ? 753 PRO A CD 1 \nATOM 416 N N . LYS A 1 62 ? 25.976 33.523 -7.199 1.00 91.73 ? 754 LYS A N 1 \nATOM 417 C CA . LYS A 1 62 ? 25.143 32.653 -8.028 1.00 78.40 ? 754 LYS A CA 1 \nATOM 418 C C . LYS A 1 62 ? 24.059 33.471 -8.747 1.00 72.59 ? 754 LYS A C 1 \nATOM 419 O O . LYS A 1 62 ? 23.679 34.553 -8.283 1.00 71.52 ? 754 LYS A O 1 \nATOM 420 C CB . LYS A 1 62 ? 24.516 31.548 -7.171 1.00 66.50 ? 754 LYS A CB 1 \nATOM 421 C CG . LYS A 1 62 ? 25.522 30.572 -6.582 1.00 66.51 ? 754 LYS A CG 1 \nATOM 422 C CD . LYS A 1 62 ? 24.844 29.511 -5.730 1.00 67.17 ? 754 LYS A CD 1 \nATOM 423 C CE . LYS A 1 62 ? 25.850 28.490 -5.217 1.00 71.27 ? 754 LYS A CE 1 \nATOM 424 N NZ . LYS A 1 62 ? 25.199 27.456 -4.367 1.00 72.05 ? 754 LYS A NZ 1 \nATOM 425 N N . ALA A 1 63 ? 23.582 32.965 -9.885 1.00 67.58 ? 755 ALA A N 1 \nATOM 426 C CA . ALA A 1 63 ? 22.470 33.596 -10.607 1.00 64.10 ? 755 ALA A CA 1 \nATOM 427 C C . ALA A 1 63 ? 21.197 33.558 -9.757 1.00 59.06 ? 755 ALA A C 1 \nATOM 428 O O . ALA A 1 63 ? 21.026 32.662 -8.924 1.00 48.83 ? 755 ALA A O 1 \nATOM 429 C CB . ALA A 1 63 ? 22.241 32.908 -11.946 1.00 62.79 ? 755 ALA A CB 1 \nATOM 430 N N . ASN A 1 64 ? 20.311 34.532 -9.961 1.00 55.32 ? 756 ASN A N 1 \nATOM 431 C CA . ASN A 1 64 ? 19.058 34.580 -9.210 1.00 57.65 ? 756 ASN A CA 1 \nATOM 432 C C . ASN A 1 64 ? 18.246 33.282 -9.306 1.00 49.83 ? 756 ASN A C 1 \nATOM 433 O O . ASN A 1 64 ? 17.713 32.811 -8.305 1.00 52.47 ? 756 ASN A O 1 \nATOM 434 C CB . ASN A 1 64 ? 18.214 35.782 -9.636 1.00 61.10 ? 756 ASN A CB 1 \nATOM 435 C CG . ASN A 1 64 ? 18.737 37.095 -9.070 1.00 65.60 ? 756 ASN A CG 1 \nATOM 436 O OD1 . ASN A 1 64 ? 18.241 38.166 -9.417 1.00 66.39 ? 756 ASN A OD1 1 \nATOM 437 N ND2 . ASN A 1 64 ? 19.733 37.018 -8.188 1.00 62.03 ? 756 ASN A ND2 1 \nATOM 438 N N . LYS A 1 65 ? 18.188 32.693 -10.499 1.00 48.32 ? 757 LYS A N 1 \nATOM 439 C CA . LYS A 1 65 ? 17.363 31.496 -10.707 1.00 53.97 ? 757 LYS A CA 1 \nATOM 440 C C . LYS A 1 65 ? 17.885 30.303 -9.916 1.00 52.23 ? 757 LYS A C 1 \nATOM 441 O O . LYS A 1 65 ? 17.101 29.474 -9.457 1.00 38.94 ? 757 LYS A O 1 \nATOM 442 C CB . LYS A 1 65 ? 17.178 31.163 -12.198 1.00 57.10 ? 757 LYS A CB 1 \nATOM 443 C CG . LYS A 1 65 ? 18.445 30.784 -12.949 1.00 62.89 ? 757 LYS A CG 1 \nATOM 444 C CD . LYS A 1 65 ? 18.134 30.400 -14.385 1.00 67.24 ? 757 LYS A CD 1 \nATOM 445 C CE . LYS A 1 65 ? 19.369 29.866 -15.088 1.00 78.98 ? 757 LYS A CE 1 \nATOM 446 N NZ . LYS A 1 65 ? 19.072 29.478 -16.495 1.00 98.58 ? 757 LYS A NZ 1 \nATOM 447 N N . GLU A 1 66 ? 19.205 30.237 -9.731 1.00 41.71 ? 758 GLU A N 1 \nATOM 448 C CA . GLU A 1 66 ? 19.816 29.184 -8.921 1.00 45.36 ? 758 GLU A CA 1 \nATOM 449 C C . GLU A 1 66 ? 19.512 29.391 -7.426 1.00 45.14 ? 758 GLU A C 1 \nATOM 450 O O . GLU A 1 66 ? 19.180 28.437 -6.706 1.00 43.16 ? 758 GLU A O 1 \nATOM 451 C CB . GLU A 1 66 ? 21.327 29.142 -9.166 1.00 56.18 ? 758 GLU A CB 1 \nATOM 452 C CG . GLU A 1 66 ? 22.010 27.873 -8.669 1.00 74.96 ? 758 GLU A CG 1 \nATOM 453 C CD . GLU A 1 66 ? 23.509 27.857 -8.933 1.00 89.13 ? 758 GLU A CD 1 \nATOM 454 O OE1 . GLU A 1 66 ? 24.235 27.159 -8.193 1.00 109.33 ? 758 GLU A OE1 1 \nATOM 455 O OE2 . GLU A 1 66 ? 23.968 28.536 -9.878 1.00 81.56 ? 758 GLU A OE2 1 \nATOM 456 N N . ILE A 1 67 ? 19.643 30.638 -6.971 1.00 38.74 ? 759 ILE A N 1 \nATOM 457 C CA . ILE A 1 67 ? 19.234 31.052 -5.622 1.00 40.45 ? 759 ILE A CA 1 \nATOM 458 C C . ILE A 1 67 ? 17.742 30.767 -5.383 1.00 37.42 ? 759 ILE A C 1 \nATOM 459 O O . ILE A 1 67 ? 17.347 30.206 -4.353 1.00 36.66 ? 759 ILE A O 1 \nATOM 460 C CB . ILE A 1 67 ? 19.533 32.554 -5.393 1.00 43.35 ? 759 ILE A CB 1 \nATOM 461 C CG1 . ILE A 1 67 ? 21.053 32.762 -5.243 1.00 47.56 ? 759 ILE A CG1 1 \nATOM 462 C CG2 . ILE A 1 67 ? 18.767 33.078 -4.186 1.00 43.77 ? 759 ILE A CG2 1 \nATOM 463 C CD1 . ILE A 1 67 ? 21.516 34.207 -5.124 1.00 44.09 ? 759 ILE A CD1 1 \nATOM 464 N N . LEU A 1 68 ? 16.923 31.151 -6.340 1.00 32.59 ? 760 LEU A N 1 \nATOM 465 C CA . LEU A 1 68 ? 15.477 30.871 -6.229 1.00 44.54 ? 760 LEU A CA 1 \nATOM 466 C C . LEU A 1 68 ? 15.206 29.372 -6.123 1.00 43.78 ? 760 LEU A C 1 \nATOM 467 O O . LEU A 1 68 ? 14.351 28.949 -5.341 1.00 38.07 ? 760 LEU A O 1 \nATOM 468 C CB . LEU A 1 68 ? 14.701 31.506 -7.382 1.00 37.58 ? 760 LEU A CB 1 \nATOM 469 C CG . LEU A 1 68 ? 14.663 33.030 -7.272 1.00 40.85 ? 760 LEU A CG 1 \nATOM 470 C CD1 . LEU A 1 68 ? 14.118 33.694 -8.532 1.00 47.14 ? 760 LEU A CD1 1 \nATOM 471 C CD2 . LEU A 1 68 ? 13.882 33.459 -6.040 1.00 39.46 ? 760 LEU A CD2 1 \nATOM 472 N N . ASP A 1 69 ? 15.966 28.576 -6.874 1.00 37.26 ? 761 ASP A N 1 \nATOM 473 C CA . ASP A 1 69 ? 15.788 27.126 -6.889 1.00 39.19 ? 761 ASP A CA 1 \nATOM 474 C C . ASP A 1 69 ? 16.110 26.500 -5.525 1.00 46.00 ? 761 ASP A C 1 \nATOM 475 O O . ASP A 1 69 ? 15.381 25.626 -5.051 1.00 41.12 ? 761 ASP A O 1 \nATOM 476 C CB . ASP A 1 69 ? 16.625 26.501 -8.020 1.00 44.22 ? 761 ASP A CB 1 \nATOM 477 C CG . ASP A 1 69 ? 16.461 24.979 -8.126 1.00 58.33 ? 761 ASP A CG 1 \nATOM 478 O OD1 . ASP A 1 69 ? 17.492 24.284 -8.152 1.00 49.31 ? 761 ASP A OD1 1 \nATOM 479 O OD2 . ASP A 1 69 ? 15.316 24.470 -8.200 1.00 47.84 ? 761 ASP A OD2 1 \nATOM 480 N N . GLU A 1 70 ? 17.191 26.954 -4.888 1.00 36.07 ? 762 GLU A N 1 \nATOM 481 C CA . GLU A 1 70 ? 17.560 26.438 -3.576 1.00 34.81 ? 762 GLU A CA 1 \nATOM 482 C C . GLU A 1 70 ? 16.600 26.948 -2.508 1.00 32.41 ? 762 GLU A C 1 \nATOM 483 O O . GLU A 1 70 ? 16.215 26.209 -1.596 1.00 36.70 ? 762 GLU A O 1 \nATOM 484 C CB . GLU A 1 70 ? 19.029 26.775 -3.256 1.00 39.98 ? 762 GLU A CB 1 \nATOM 485 C CG . GLU A 1 70 ? 19.960 26.152 -4.283 1.00 46.30 ? 762 GLU A CG 1 \nATOM 486 C CD . GLU A 1 70 ? 21.394 25.995 -3.807 1.00 67.31 ? 762 GLU A CD 1 \nATOM 487 O OE1 . GLU A 1 70 ? 22.255 25.711 -4.666 1.00 61.02 ? 762 GLU A OE1 1 \nATOM 488 O OE2 . GLU A 1 70 ? 21.667 26.144 -2.592 1.00 60.07 ? 762 GLU A OE2 1 \nATOM 489 N N . ALA A 1 71 ? 16.161 28.196 -2.654 1.00 31.03 ? 763 ALA A N 1 \nATOM 490 C CA . ALA A 1 71 ? 15.258 28.767 -1.667 1.00 30.15 ? 763 ALA A CA 1 \nATOM 491 C C . ALA A 1 71 ? 13.909 28.042 -1.718 1.00 31.96 ? 763 ALA A C 1 \nATOM 492 O O . ALA A 1 71 ? 13.237 27.930 -0.700 1.00 32.14 ? 763 ALA A O 1 \nATOM 493 C CB . ALA A 1 71 ? 15.065 30.253 -1.887 1.00 31.59 ? 763 ALA A CB 1 \nATOM 494 N N . TYR A 1 72 ? 13.541 27.551 -2.895 1.00 28.99 ? 764 TYR A N 1 \nATOM 495 C CA . TYR A 1 72 ? 12.229 26.863 -3.044 1.00 29.83 ? 764 TYR A CA 1 \nATOM 496 C C . TYR A 1 72 ? 12.189 25.668 -2.112 1.00 28.72 ? 764 TYR A C 1 \nATOM 497 O O . TYR A 1 72 ? 11.184 25.426 -1.469 1.00 29.34 ? 764 TYR A O 1 \nATOM 498 C CB . TYR A 1 72 ? 11.968 26.408 -4.481 1.00 30.91 ? 764 TYR A CB 1 \nATOM 499 C CG . TYR A 1 72 ? 10.617 25.705 -4.651 1.00 30.27 ? 764 TYR A CG 1 \nATOM 500 C CD1 . TYR A 1 72 ? 10.525 24.314 -4.685 1.00 29.95 ? 764 TYR A CD1 1 \nATOM 501 C CD2 . TYR A 1 72 ? 9.448 26.447 -4.774 1.00 31.11 ? 764 TYR A CD2 1 \nATOM 502 C CE1 . TYR A 1 72 ? 9.299 23.683 -4.830 1.00 36.51 ? 764 TYR A CE1 1 \nATOM 503 C CE2 . TYR A 1 72 ? 8.212 25.822 -4.915 1.00 34.02 ? 764 TYR A CE2 1 \nATOM 504 C CZ . TYR A 1 72 ? 8.153 24.440 -4.943 1.00 31.33 ? 764 TYR A CZ 1 \nATOM 505 O OH . TYR A 1 72 ? 6.926 23.819 -5.090 1.00 36.39 ? 764 TYR A OH 1 \nATOM 506 N N . VAL A 1 73 ? 13.308 24.953 -1.983 1.00 30.36 ? 765 VAL A N 1 \nATOM 507 C CA . VAL A 1 73 ? 13.338 23.790 -1.106 1.00 30.00 ? 765 VAL A CA 1 \nATOM 508 C C . VAL A 1 73 ? 13.144 24.241 0.339 1.00 28.48 ? 765 VAL A C 1 \nATOM 509 O O . VAL A 1 73 ? 12.510 23.540 1.135 1.00 28.46 ? 765 VAL A O 1 \nATOM 510 C CB . VAL A 1 73 ? 14.661 22.982 -1.249 1.00 34.35 ? 765 VAL A CB 1 \nATOM 511 C CG1 . VAL A 1 73 ? 14.648 21.743 -0.361 1.00 37.76 ? 765 VAL A CG1 1 \nATOM 512 C CG2 . VAL A 1 73 ? 14.898 22.599 -2.708 1.00 39.05 ? 765 VAL A CG2 1 \nATOM 513 N N . MET A 1 74 ? 13.685 25.407 0.687 1.00 26.60 ? 766 MET A N 1 \nATOM 514 C CA . MET A 1 74 ? 13.558 25.938 2.055 1.00 27.20 ? 766 MET A CA 1 \nATOM 515 C C . MET A 1 74 ? 12.106 26.365 2.345 1.00 32.09 ? 766 MET A C 1 \nATOM 516 O O . MET A 1 74 ? 11.637 26.292 3.487 1.00 34.54 ? 766 MET A O 1 \nATOM 517 C CB . MET A 1 74 ? 14.561 27.094 2.308 1.00 31.52 ? 766 MET A CB 1 \nATOM 518 C CG . MET A 1 74 ? 16.040 26.737 2.138 1.00 36.39 ? 766 MET A CG 1 \nATOM 519 S SD . MET A 1 74 ? 16.954 28.289 1.995 1.00 35.31 ? 766 MET A SD 1 \nATOM 520 C CE . MET A 1 74 ? 18.693 27.772 1.971 1.00 29.41 ? 766 MET A CE 1 \nATOM 521 N N . ALA A 1 75 ? 11.388 26.768 1.304 1.00 25.55 ? 767 ALA A N 1 \nATOM 522 C CA . ALA A 1 75 ? 9.955 27.147 1.461 1.00 28.35 ? 767 ALA A CA 1 \nATOM 523 C C . ALA A 1 75 ? 8.996 25.957 1.419 1.00 30.50 ? 767 ALA A C 1 \nATOM 524 O O . ALA A 1 75 ? 7.810 26.051 1.829 1.00 35.24 ? 767 ALA A O 1 \nATOM 525 C CB . ALA A 1 75 ? 9.587 28.141 0.385 1.00 27.82 ? 767 ALA A CB 1 \nATOM 526 N N . SER A 1 76 ? 9.486 24.841 0.921 1.00 33.39 ? 768 SER A N 1 \nATOM 527 C CA . SER A 1 76 ? 8.674 23.650 0.666 1.00 36.62 ? 768 SER A CA 1 \nATOM 528 C C . SER A 1 76 ? 8.537 22.757 1.916 1.00 35.31 ? 768 SER A C 1 \nATOM 529 O O . SER A 1 76 ? 7.706 21.837 1.944 1.00 41.31 ? 768 SER A O 1 \nATOM 530 C CB . SER A 1 76 ? 9.315 22.842 -0.478 1.00 30.34 ? 768 SER A CB 1 \nATOM 531 O OG . SER A 1 76 ? 10.337 22.007 0.056 1.00 43.37 ? 768 SER A OG 1 \nATOM 532 N N . VAL A 1 77 ? 9.337 23.017 2.949 1.00 29.89 ? 769 VAL A N 1 \nATOM 533 C CA . VAL A 1 77 ? 9.346 22.117 4.112 1.00 31.80 ? 769 VAL A CA 1 \nATOM 534 C C . VAL A 1 77 ? 8.076 22.226 4.967 1.00 35.73 ? 769 VAL A C 1 \nATOM 535 O O . VAL A 1 77 ? 7.587 23.322 5.240 1.00 40.87 ? 769 VAL A O 1 \nATOM 536 C CB . VAL A 1 77 ? 10.608 22.267 4.970 1.00 36.09 ? 769 VAL A CB 1 \nATOM 537 C CG1 . VAL A 1 77 ? 11.840 21.931 4.144 1.00 34.12 ? 769 VAL A CG1 1 \nATOM 538 C CG2 . VAL A 1 77 ? 10.721 23.677 5.517 1.00 42.89 ? 769 VAL A CG2 1 \nATOM 539 N N . ASP A 1 78 ? 7.546 21.080 5.369 1.00 31.99 ? 770 ASP A N 1 \nATOM 540 C CA . ASP A 1 78 ? 6.279 21.036 6.088 1.00 39.53 ? 770 ASP A CA 1 \nATOM 541 C C . ASP A 1 78 ? 6.391 20.001 7.188 1.00 32.29 ? 770 ASP A C 1 \nATOM 542 O O . ASP A 1 78 ? 6.093 18.820 6.974 1.00 33.73 ? 770 ASP A O 1 \nATOM 543 C CB . ASP A 1 78 ? 5.126 20.706 5.120 1.00 36.58 ? 770 ASP A CB 1 \nATOM 544 C CG . ASP A 1 78 ? 3.755 20.745 5.793 1.00 41.55 ? 770 ASP A CG 1 \nATOM 545 O OD1 . ASP A 1 78 ? 3.591 21.464 6.803 1.00 41.43 ? 770 ASP A OD1 1 \nATOM 546 O OD2 . ASP A 1 78 ? 2.839 20.055 5.297 1.00 61.49 ? 770 ASP A OD2 1 \nATOM 547 N N . ASN A 1 79 ? 6.841 20.458 8.358 1.00 27.92 ? 771 ASN A N 1 \nATOM 548 C CA . ASN A 1 79 ? 7.056 19.600 9.515 1.00 28.79 ? 771 ASN A CA 1 \nATOM 549 C C . ASN A 1 79 ? 7.004 20.473 10.767 1.00 28.51 ? 771 ASN A C 1 \nATOM 550 O O . ASN A 1 79 ? 7.492 21.615 10.753 1.00 32.33 ? 771 ASN A O 1 \nATOM 551 C CB . ASN A 1 79 ? 8.427 18.877 9.404 1.00 31.63 ? 771 ASN A CB 1 \nATOM 552 C CG . ASN A 1 79 ? 8.711 17.968 10.593 1.00 32.66 ? 771 ASN A CG 1 \nATOM 553 O OD1 . ASN A 1 79 ? 9.198 18.412 11.634 1.00 32.35 ? 771 ASN A OD1 1 \nATOM 554 N ND2 . ASN A 1 79 ? 8.412 16.685 10.439 1.00 31.99 ? 771 ASN A ND2 1 \nATOM 555 N N . PRO A 1 80 ? 6.419 19.947 11.868 1.00 36.96 ? 772 PRO A N 1 \nATOM 556 C CA . PRO A 1 80 ? 6.237 20.746 13.090 1.00 37.28 ? 772 PRO A CA 1 \nATOM 557 C C . PRO A 1 80 ? 7.540 21.226 13.729 1.00 33.19 ? 772 PRO A C 1 \nATOM 558 O O . PRO A 1 80 ? 7.524 22.216 14.470 1.00 30.61 ? 772 PRO A O 1 \nATOM 559 C CB . PRO A 1 80 ? 5.540 19.773 14.045 1.00 44.95 ? 772 PRO A CB 1 \nATOM 560 C CG . PRO A 1 80 ? 4.862 18.792 13.164 1.00 49.09 ? 772 PRO A CG 1 \nATOM 561 C CD . PRO A 1 80 ? 5.749 18.635 11.972 1.00 36.80 ? 772 PRO A CD 1 \nATOM 562 N N . HIS A 1 81 ? 8.647 20.524 13.463 1.00 32.01 ? 773 HIS A N 1 \nATOM 563 C CA . HIS A 1 81 ? 9.923 20.890 14.095 1.00 32.30 ? 773 HIS A CA 1 \nATOM 564 C C . HIS A 1 81 ? 10.938 21.522 13.140 1.00 29.91 ? 773 HIS A C 1 \nATOM 565 O O . HIS A 1 81 ? 12.141 21.581 13.433 1.00 31.48 ? 773 HIS A O 1 \nATOM 566 C CB . HIS A 1 81 ? 10.501 19.683 14.866 1.00 30.06 ? 773 HIS A CB 1 \nATOM 567 C CG . HIS A 1 81 ? 9.481 19.002 15.740 1.00 38.50 ? 773 HIS A CG 1 \nATOM 568 N ND1 . HIS A 1 81 ? 8.923 19.607 16.850 1.00 35.97 ? 773 HIS A ND1 1 \nATOM 569 C CD2 . HIS A 1 81 ? 8.862 17.803 15.617 1.00 43.44 ? 773 HIS A CD2 1 \nATOM 570 C CE1 . HIS A 1 81 ? 8.045 18.787 17.401 1.00 35.79 ? 773 HIS A CE1 1 \nATOM 571 N NE2 . HIS A 1 81 ? 7.979 17.690 16.666 1.00 33.01 ? 773 HIS A NE2 1 \nATOM 572 N N . VAL A 1 82 ? 10.444 22.029 12.011 1.00 32.42 ? 774 VAL A N 1 \nATOM 573 C CA . VAL A 1 82 ? 11.292 22.713 11.029 1.00 31.78 ? 774 VAL A CA 1 \nATOM 574 C C . VAL A 1 82 ? 10.590 24.023 10.638 1.00 31.70 ? 774 VAL A C 1 \nATOM 575 O O . VAL A 1 82 ? 9.410 24.021 10.272 1.00 33.83 ? 774 VAL A O 1 \nATOM 576 C CB . VAL A 1 82 ? 11.562 21.858 9.757 1.00 37.83 ? 774 VAL A CB 1 \nATOM 577 C CG1 . VAL A 1 82 ? 12.584 22.547 8.868 1.00 28.77 ? 774 VAL A CG1 1 \nATOM 578 C CG2 . VAL A 1 82 ? 12.050 20.442 10.095 1.00 34.53 ? 774 VAL A CG2 1 \nATOM 579 N N . CYS A 1 83 ? 11.299 25.132 10.784 1.00 31.06 ? 775 CYS A N 1 \nATOM 580 C CA . CYS A 1 83 ? 10.867 26.411 10.246 1.00 32.97 ? 775 CYS A CA 1 \nATOM 581 C C . CYS A 1 83 ? 10.813 26.400 8.725 1.00 31.14 ? 775 CYS A C 1 \nATOM 582 O O . CYS A 1 83 ? 11.570 25.660 8.057 1.00 35.80 ? 775 CYS A O 1 \nATOM 583 C CB . CYS A 1 83 ? 11.836 27.504 10.707 1.00 29.32 ? 775 CYS A CB 1 \nATOM 584 S SG . CYS A 1 83 ? 11.781 27.780 12.482 1.00 36.31 ? 775 CYS A SG 1 \nATOM 585 N N . ARG A 1 84 ? 9.959 27.240 8.152 1.00 27.88 ? 776 ARG A N 1 \nATOM 586 C CA . ARG A 1 84 ? 9.926 27.322 6.704 1.00 26.20 ? 776 ARG A CA 1 \nATOM 587 C C . ARG A 1 84 ? 10.059 28.744 6.212 1.00 25.09 ? 776 ARG A C 1 \nATOM 588 O O . ARG A 1 84 ? 9.700 29.688 6.895 1.00 28.55 ? 776 ARG A O 1 \nATOM 589 C CB . ARG A 1 84 ? 8.682 26.632 6.126 1.00 36.86 ? 776 ARG A CB 1 \nATOM 590 C CG . ARG A 1 84 ? 7.473 27.513 6.073 1.00 39.62 ? 776 ARG A CG 1 \nATOM 591 C CD . ARG A 1 84 ? 6.435 26.936 5.109 1.00 54.28 ? 776 ARG A CD 1 \nATOM 592 N NE . ARG A 1 84 ? 5.496 27.982 4.720 1.00 51.59 ? 776 ARG A NE 1 \nATOM 593 C CZ . ARG A 1 84 ? 5.521 28.662 3.573 1.00 56.49 ? 776 ARG A CZ 1 \nATOM 594 N NH1 . ARG A 1 84 ? 6.423 28.405 2.636 1.00 45.85 ? 776 ARG A NH1 1 \nATOM 595 N NH2 . ARG A 1 84 ? 4.607 29.596 3.351 1.00 62.64 ? 776 ARG A NH2 1 \nATOM 596 N N . LEU A 1 85 ? 10.660 28.874 5.042 1.00 32.82 ? 777 LEU A N 1 \nATOM 597 C CA . LEU A 1 85 ? 10.839 30.155 4.397 1.00 39.54 ? 777 LEU A CA 1 \nATOM 598 C C . LEU A 1 85 ? 9.481 30.608 3.865 1.00 41.12 ? 777 LEU A C 1 \nATOM 599 O O . LEU A 1 85 ? 8.752 29.829 3.249 1.00 36.46 ? 777 LEU A O 1 \nATOM 600 C CB . LEU A 1 85 ? 11.873 30.008 3.284 1.00 37.75 ? 777 LEU A CB 1 \nATOM 601 C CG . LEU A 1 85 ? 12.599 31.245 2.783 1.00 41.91 ? 777 LEU A CG 1 \nATOM 602 C CD1 . LEU A 1 85 ? 13.269 31.938 3.962 1.00 35.23 ? 777 LEU A CD1 1 \nATOM 603 C CD2 . LEU A 1 85 ? 13.619 30.839 1.737 1.00 39.23 ? 777 LEU A CD2 1 \nATOM 604 N N . LEU A 1 86 ? 9.106 31.841 4.179 1.00 35.56 ? 778 LEU A N 1 \nATOM 605 C CA . LEU A 1 86 ? 7.850 32.407 3.671 1.00 37.08 ? 778 LEU A CA 1 \nATOM 606 C C . LEU A 1 86 ? 8.067 33.176 2.372 1.00 39.75 ? 778 LEU A C 1 \nATOM 607 O O . LEU A 1 86 ? 7.184 33.229 1.510 1.00 45.05 ? 778 LEU A O 1 \nATOM 608 C CB . LEU A 1 86 ? 7.251 33.354 4.706 1.00 33.02 ? 778 LEU A CB 1 \nATOM 609 C CG . LEU A 1 86 ? 6.736 32.791 6.028 1.00 43.06 ? 778 LEU A CG 1 \nATOM 610 C CD1 . LEU A 1 86 ? 6.379 33.930 6.967 1.00 41.81 ? 778 LEU A CD1 1 \nATOM 611 C CD2 . LEU A 1 86 ? 5.533 31.872 5.829 1.00 55.69 ? 778 LEU A CD2 1 \nATOM 612 N N . GLY A 1 87 ? 9.235 33.799 2.246 1.00 38.68 ? 779 GLY A N 1 \nATOM 613 C CA . GLY A 1 87 ? 9.483 34.706 1.147 1.00 38.09 ? 779 GLY A CA 1 \nATOM 614 C C . GLY A 1 87 ? 10.944 35.031 0.929 1.00 34.62 ? 779 GLY A C 1 \nATOM 615 O O . GLY A 1 87 ? 11.816 34.682 1.729 1.00 34.55 ? 779 GLY A O 1 \nATOM 616 N N . ILE A 1 88 ? 11.206 35.696 -0.181 1.00 36.47 ? 780 ILE A N 1 \nATOM 617 C CA . ILE A 1 88 ? 12.549 36.078 -0.537 1.00 32.86 ? 780 ILE A CA 1 \nATOM 618 C C . ILE A 1 88 ? 12.467 37.364 -1.342 1.00 37.56 ? 780 ILE A C 1 \nATOM 619 O O . ILE A 1 88 ? 11.461 37.641 -2.019 1.00 35.89 ? 780 ILE A O 1 \nATOM 620 C CB . ILE A 1 88 ? 13.271 34.933 -1.305 1.00 36.74 ? 780 ILE A CB 1 \nATOM 621 C CG1 . ILE A 1 88 ? 14.757 35.226 -1.508 1.00 37.01 ? 780 ILE A CG1 1 \nATOM 622 C CG2 . ILE A 1 88 ? 12.566 34.586 -2.612 1.00 39.84 ? 780 ILE A CG2 1 \nATOM 623 C CD1 . ILE A 1 88 ? 15.542 34.015 -1.981 1.00 41.12 ? 780 ILE A CD1 1 \nATOM 624 N N . CYS A 1 89 ? 13.504 38.179 -1.218 1.00 34.22 ? 781 CYS A N 1 \nATOM 625 C CA . CYS A 1 89 ? 13.584 39.409 -1.968 1.00 39.58 ? 781 CYS A CA 1 \nATOM 626 C C . CYS A 1 89 ? 15.008 39.513 -2.476 1.00 42.52 ? 781 CYS A C 1 \nATOM 627 O O . CYS A 1 89 ? 15.968 39.597 -1.696 1.00 42.31 ? 781 CYS A O 1 \nATOM 628 C CB . CYS A 1 89 ? 13.209 40.593 -1.091 1.00 42.05 ? 781 CYS A CB 1 \nATOM 629 S SG . CYS A 1 89 ? 13.340 42.208 -1.900 1.00 52.46 ? 781 CYS A SG 1 \nATOM 630 N N . LEU A 1 90 ? 15.137 39.460 -3.794 1.00 40.33 ? 782 LEU A N 1 \nATOM 631 C CA . LEU A 1 90 ? 16.427 39.615 -4.427 1.00 52.46 ? 782 LEU A CA 1 \nATOM 632 C C . LEU A 1 90 ? 16.577 41.062 -4.912 1.00 57.91 ? 782 LEU A C 1 \nATOM 633 O O . LEU A 1 90 ? 15.686 41.607 -5.575 1.00 53.42 ? 782 LEU A O 1 \nATOM 634 C CB . LEU A 1 90 ? 16.593 38.602 -5.561 1.00 46.81 ? 782 LEU A CB 1 \nATOM 635 C CG . LEU A 1 90 ? 16.440 37.118 -5.193 1.00 50.02 ? 782 LEU A CG 1 \nATOM 636 C CD1 . LEU A 1 90 ? 16.409 36.255 -6.440 1.00 58.30 ? 782 LEU A CD1 1 \nATOM 637 C CD2 . LEU A 1 90 ? 17.535 36.643 -4.245 1.00 47.01 ? 782 LEU A CD2 1 \nATOM 638 N N . THR A 1 91 ? 17.681 41.688 -4.513 1.00 57.02 ? 783 THR A N 1 \nATOM 639 C CA . THR A 1 91 ? 18.058 43.033 -4.953 1.00 57.87 ? 783 THR A CA 1 \nATOM 640 C C . THR A 1 91 ? 19.559 42.976 -5.243 1.00 56.07 ? 783 THR A C 1 \nATOM 641 O O . THR A 1 91 ? 20.020 42.064 -5.932 1.00 68.18 ? 783 THR A O 1 \nATOM 642 C CB . THR A 1 91 ? 17.787 44.109 -3.877 1.00 57.17 ? 783 THR A CB 1 \nATOM 643 O OG1 . THR A 1 91 ? 18.534 43.803 -2.690 1.00 63.32 ? 783 THR A OG1 1 \nATOM 644 C CG2 . THR A 1 91 ? 16.297 44.223 -3.544 1.00 60.21 ? 783 THR A CG2 1 \nATOM 645 N N . SER A 1 92 ? 20.317 43.931 -4.705 1.00 61.57 ? 784 SER A N 1 \nATOM 646 C CA . SER A 1 92 ? 21.778 43.830 -4.658 1.00 62.64 ? 784 SER A CA 1 \nATOM 647 C C . SER A 1 92 ? 22.205 42.824 -3.584 1.00 66.71 ? 784 SER A C 1 \nATOM 648 O O . SER A 1 92 ? 23.330 42.310 -3.611 1.00 73.57 ? 784 SER A O 1 \nATOM 649 C CB . SER A 1 92 ? 22.413 45.198 -4.391 1.00 65.94 ? 784 SER A CB 1 \nATOM 650 O OG . SER A 1 92 ? 21.881 45.793 -3.219 1.00 77.36 ? 784 SER A OG 1 \nATOM 651 N N . THR A 1 93 ? 21.296 42.553 -2.644 1.00 56.80 ? 785 THR A N 1 \nATOM 652 C CA . THR A 1 93 ? 21.494 41.540 -1.602 1.00 50.80 ? 785 THR A CA 1 \nATOM 653 C C . THR A 1 93 ? 20.393 40.478 -1.669 1.00 48.30 ? 785 THR A C 1 \nATOM 654 O O . THR A 1 93 ? 19.331 40.704 -2.264 1.00 47.91 ? 785 THR A O 1 \nATOM 655 C CB . THR A 1 93 ? 21.428 42.150 -0.184 1.00 51.80 ? 785 THR A CB 1 \nATOM 656 O OG1 . THR A 1 93 ? 20.089 42.598 0.080 1.00 49.48 ? 785 THR A OG1 1 \nATOM 657 C CG2 . THR A 1 93 ? 22.410 43.311 -0.027 1.00 59.94 ? 785 THR A CG2 1 \nATOM 658 N N . VAL A 1 94 ? 20.645 39.332 -1.039 1.00 46.00 ? 786 VAL A N 1 \nATOM 659 C CA . VAL A 1 94 ? 19.597 38.329 -0.826 1.00 38.67 ? 786 VAL A CA 1 \nATOM 660 C C . VAL A 1 94 ? 18.979 38.517 0.553 1.00 36.32 ? 786 VAL A C 1 \nATOM 661 O O . VAL A 1 94 ? 19.693 38.530 1.546 1.00 39.63 ? 786 VAL A O 1 \nATOM 662 C CB . VAL A 1 94 ? 20.142 36.898 -0.953 1.00 38.01 ? 786 VAL A CB 1 \nATOM 663 C CG1 . VAL A 1 94 ? 19.031 35.871 -0.729 1.00 48.90 ? 786 VAL A CG1 1 \nATOM 664 C CG2 . VAL A 1 94 ? 20.782 36.700 -2.320 1.00 48.03 ? 786 VAL A CG2 1 \nATOM 665 N N . GLN A 1 95 ? 17.653 38.626 0.610 1.00 36.69 ? 787 GLN A N 1 \nATOM 666 C CA . GLN A 1 95 ? 16.944 38.695 1.883 1.00 35.65 ? 787 GLN A CA 1 \nATOM 667 C C . GLN A 1 95 ? 15.909 37.581 2.032 1.00 39.78 ? 787 GLN A C 1 \nATOM 668 O O . GLN A 1 95 ? 15.052 37.404 1.156 1.00 35.85 ? 787 GLN A O 1 \nATOM 669 C CB . GLN A 1 95 ? 16.259 40.049 2.058 1.00 38.83 ? 787 GLN A CB 1 \nATOM 670 C CG . GLN A 1 95 ? 17.235 41.187 2.339 1.00 38.72 ? 787 GLN A CG 1 \nATOM 671 C CD . GLN A 1 95 ? 16.536 42.518 2.516 1.00 42.16 ? 787 GLN A CD 1 \nATOM 672 O OE1 . GLN A 1 95 ? 16.253 42.927 3.638 1.00 41.78 ? 787 GLN A OE1 1 \nATOM 673 N NE2 . GLN A 1 95 ? 16.248 43.197 1.412 1.00 43.91 ? 787 GLN A NE2 1 \nATOM 674 N N . LEU A 1 96 ? 15.995 36.856 3.148 1.00 33.94 ? 788 LEU A N 1 \nATOM 675 C CA . LEU A 1 96 ? 15.086 35.737 3.441 1.00 35.29 ? 788 LEU A CA 1 \nATOM 676 C C . LEU A 1 96 ? 14.084 36.113 4.506 1.00 30.71 ? 788 LEU A C 1 \nATOM 677 O O . LEU A 1 96 ? 14.427 36.716 5.524 1.00 32.86 ? 788 LEU A O 1 \nATOM 678 C CB . LEU A 1 96 ? 15.887 34.523 3.909 1.00 32.95 ? 788 LEU A CB 1 \nATOM 679 C CG . LEU A 1 96 ? 17.028 34.042 3.026 1.00 35.16 ? 788 LEU A CG 1 \nATOM 680 C CD1 . LEU A 1 96 ? 17.745 32.897 3.724 1.00 34.86 ? 788 LEU A CD1 1 \nATOM 681 C CD2 . LEU A 1 96 ? 16.502 33.617 1.664 1.00 37.74 ? 788 LEU A CD2 1 \nATOM 682 N N . ILE A 1 97 ? 12.820 35.776 4.290 1.00 30.64 ? 789 ILE A N 1 \nATOM 683 C CA . ILE A 1 97 ? 11.799 36.205 5.231 1.00 28.88 ? 789 ILE A CA 1 \nATOM 684 C C . ILE A 1 97 ? 11.097 34.984 5.799 1.00 25.85 ? 789 ILE A C 1 \nATOM 685 O O . ILE A 1 97 ? 10.735 34.081 5.056 1.00 33.02 ? 789 ILE A O 1 \nATOM 686 C CB . ILE A 1 97 ? 10.799 37.178 4.563 1.00 34.04 ? 789 ILE A CB 1 \nATOM 687 C CG1 . ILE A 1 97 ? 11.507 38.480 4.147 1.00 37.69 ? 789 ILE A CG1 1 \nATOM 688 C CG2 . ILE A 1 97 ? 9.617 37.488 5.479 1.00 35.36 ? 789 ILE A CG2 1 \nATOM 689 C CD1 . ILE A 1 97 ? 12.058 38.438 2.739 1.00 38.70 ? 789 ILE A CD1 1 \nATOM 690 N N . THR A 1 98 ? 10.936 34.964 7.116 1.00 25.06 ? 790 THR A N 1 \nATOM 691 C CA . THR A 1 98 ? 10.342 33.827 7.816 1.00 27.17 ? 790 THR A CA 1 \nATOM 692 C C . THR A 1 98 ? 9.494 34.315 8.999 1.00 29.00 ? 790 THR A C 1 \nATOM 693 O O . THR A 1 98 ? 9.635 35.461 9.477 1.00 29.51 ? 790 THR A O 1 \nATOM 694 C CB . THR A 1 98 ? 11.412 32.818 8.305 1.00 30.02 ? 790 THR A CB 1 \nATOM 695 O OG1 . THR A 1 98 ? 10.789 31.611 8.765 1.00 34.01 ? 790 THR A OG1 1 \nATOM 696 C CG2 . THR A 1 98 ? 12.237 33.433 9.444 1.00 31.21 ? 790 THR A CG2 1 \nATOM 697 N N . GLN A 1 99 ? 8.618 33.441 9.488 1.00 30.66 ? 791 GLN A N 1 \nATOM 698 C CA . GLN A 1 99 ? 7.785 33.807 10.630 1.00 36.46 ? 791 GLN A CA 1 \nATOM 699 C C . GLN A 1 99 ? 8.674 34.148 11.824 1.00 34.02 ? 791 GLN A C 1 \nATOM 700 O O . GLN A 1 99 ? 9.592 33.396 12.152 1.00 33.64 ? 791 GLN A O 1 \nATOM 701 C CB . GLN A 1 99 ? 6.819 32.678 10.987 1.00 35.09 ? 791 GLN A CB 1 \nATOM 702 C CG . GLN A 1 99 ? 5.969 32.941 12.226 1.00 43.19 ? 791 GLN A CG 1 \nATOM 703 C CD . GLN A 1 99 ? 5.029 31.789 12.571 1.00 55.79 ? 791 GLN A CD 1 \nATOM 704 O OE1 . GLN A 1 99 ? 5.093 30.712 11.975 1.00 52.44 ? 791 GLN A OE1 1 \nATOM 705 N NE2 . GLN A 1 99 ? 4.162 32.011 13.552 1.00 61.70 ? 791 GLN A NE2 1 \nATOM 706 N N . LEU A 1 100 ? 8.411 35.287 12.464 1.00 31.17 ? 792 LEU A N 1 \nATOM 707 C CA . LEU A 1 100 ? 9.174 35.661 13.656 1.00 33.99 ? 792 LEU A CA 1 \nATOM 708 C C . LEU A 1 100 ? 8.850 34.728 14.811 1.00 43.25 ? 792 LEU A C 1 \nATOM 709 O O . LEU A 1 100 ? 7.684 34.452 15.080 1.00 34.41 ? 792 LEU A O 1 \nATOM 710 C CB . LEU A 1 100 ? 8.922 37.111 14.075 1.00 29.38 ? 792 LEU A CB 1 \nATOM 711 C CG . LEU A 1 100 ? 9.671 37.595 15.317 1.00 33.72 ? 792 LEU A CG 1 \nATOM 712 C CD1 . LEU A 1 100 ? 11.186 37.568 15.018 1.00 31.79 ? 792 LEU A CD1 1 \nATOM 713 C CD2 . LEU A 1 100 ? 9.205 38.962 15.810 1.00 33.47 ? 792 LEU A CD2 1 \nATOM 714 N N . MET A 1 101 ? 9.888 34.228 15.477 1.00 34.59 ? 793 MET A N 1 \nATOM 715 C CA . MET A 1 101 ? 9.710 33.390 16.667 1.00 38.57 ? 793 MET A CA 1 \nATOM 716 C C . MET A 1 101 ? 10.133 34.232 17.866 1.00 35.33 ? 793 MET A C 1 \nATOM 717 O O . MET A 1 101 ? 11.318 34.339 18.163 1.00 31.81 ? 793 MET A O 1 \nATOM 718 C CB . MET A 1 101 ? 10.542 32.098 16.609 1.00 31.33 ? 793 MET A CB 1 \nATOM 719 C CG . MET A 1 101 ? 10.279 31.184 15.428 1.00 47.71 ? 793 MET A CG 1 \nATOM 720 S SD . MET A 1 101 ? 8.821 30.169 15.693 1.00 56.46 ? 793 MET A SD 1 \nATOM 721 C CE . MET A 1 101 ? 7.733 30.916 14.499 1.00 48.95 ? 793 MET A CE 1 \nATOM 722 N N . PRO A 1 102 ? 9.162 34.859 18.553 1.00 35.55 ? 794 PRO A N 1 \nATOM 723 C CA . PRO A 1 102 ? 9.545 35.860 19.543 1.00 30.76 ? 794 PRO A CA 1 \nATOM 724 C C . PRO A 1 102 ? 9.986 35.307 20.884 1.00 28.26 ? 794 PRO A C 1 \nATOM 725 O O . PRO A 1 102 ? 10.447 36.072 21.701 1.00 34.35 ? 794 PRO A O 1 \nATOM 726 C CB . PRO A 1 102 ? 8.248 36.694 19.710 1.00 42.71 ? 794 PRO A CB 1 \nATOM 727 C CG . PRO A 1 102 ? 7.172 35.699 19.470 1.00 43.64 ? 794 PRO A CG 1 \nATOM 728 C CD . PRO A 1 102 ? 7.693 34.780 18.392 1.00 44.18 ? 794 PRO A CD 1 \nATOM 729 N N . PHE A 1 103 ? 9.891 33.990 21.115 1.00 29.98 ? 795 PHE A N 1 \nATOM 730 C CA . PHE A 1 103 ? 10.526 33.422 22.310 1.00 33.66 ? 795 PHE A CA 1 \nATOM 731 C C . PHE A 1 103 ? 12.029 33.222 22.148 1.00 31.23 ? 795 PHE A C 1 \nATOM 732 O O . PHE A 1 103 ? 12.724 32.956 23.132 1.00 37.68 ? 795 PHE A O 1 \nATOM 733 C CB . PHE A 1 103 ? 9.840 32.132 22.793 1.00 39.00 ? 795 PHE A CB 1 \nATOM 734 C CG . PHE A 1 103 ? 8.409 32.336 23.205 1.00 47.26 ? 795 PHE A CG 1 \nATOM 735 C CD1 . PHE A 1 103 ? 7.408 31.504 22.721 1.00 53.18 ? 795 PHE A CD1 1 \nATOM 736 C CD2 . PHE A 1 103 ? 8.058 33.381 24.059 1.00 58.22 ? 795 PHE A CD2 1 \nATOM 737 C CE1 . PHE A 1 103 ? 6.080 31.702 23.090 1.00 72.79 ? 795 PHE A CE1 1 \nATOM 738 C CE2 . PHE A 1 103 ? 6.734 33.585 24.431 1.00 64.24 ? 795 PHE A CE2 1 \nATOM 739 C CZ . PHE A 1 103 ? 5.742 32.745 23.944 1.00 67.83 ? 795 PHE A CZ 1 \nATOM 740 N N . GLY A 1 104 ? 12.521 33.370 20.915 1.00 32.03 ? 796 GLY A N 1 \nATOM 741 C CA . GLY A 1 104 ? 13.979 33.388 20.629 1.00 34.05 ? 796 GLY A CA 1 \nATOM 742 C C . GLY A 1 104 ? 14.608 32.018 20.441 1.00 33.43 ? 796 GLY A C 1 \nATOM 743 O O . GLY A 1 104 ? 13.889 31.009 20.242 1.00 31.30 ? 796 GLY A O 1 \nATOM 744 N N . CYS A 1 105 ? 15.943 31.954 20.486 1.00 30.57 ? 797 CYS A N 1 \nATOM 745 C CA . CYS A 1 105 ? 16.586 30.652 20.281 1.00 29.37 ? 797 CYS A CA 1 \nATOM 746 C C . CYS A 1 105 ? 16.668 29.805 21.550 1.00 30.71 ? 797 CYS A C 1 \nATOM 747 O O . CYS A 1 105 ? 16.623 30.314 22.695 1.00 30.01 ? 797 CYS A O 1 \nATOM 748 C CB . CYS A 1 105 ? 17.978 30.814 19.648 1.00 43.11 ? 797 CYS A CB 1 \nATOM 749 S SG . CYS A 1 105 ? 19.123 31.656 20.730 1.00 58.13 ? 797 CYS A SG 1 \nATOM 750 N N . LEU A 1 106 ? 16.791 28.495 21.342 1.00 35.30 ? 798 LEU A N 1 \nATOM 751 C CA . LEU A 1 106 ? 16.874 27.549 22.445 1.00 34.49 ? 798 LEU A CA 1 \nATOM 752 C C . LEU A 1 106 ? 18.173 27.763 23.222 1.00 29.27 ? 798 LEU A C 1 \nATOM 753 O O . LEU A 1 106 ? 18.205 27.541 24.431 1.00 31.95 ? 798 LEU A O 1 \nATOM 754 C CB . LEU A 1 106 ? 16.769 26.092 21.946 1.00 28.13 ? 798 LEU A CB 1 \nATOM 755 C CG . LEU A 1 106 ? 16.579 25.005 23.020 1.00 30.34 ? 798 LEU A CG 1 \nATOM 756 C CD1 . LEU A 1 106 ? 15.398 25.294 23.961 1.00 34.84 ? 798 LEU A CD1 1 \nATOM 757 C CD2 . LEU A 1 106 ? 16.357 23.627 22.364 1.00 29.21 ? 798 LEU A CD2 1 \nATOM 758 N N . LEU A 1 107 ? 19.221 28.218 22.540 1.00 31.78 ? 799 LEU A N 1 \nATOM 759 C CA . LEU A 1 107 ? 20.484 28.489 23.226 1.00 30.68 ? 799 LEU A CA 1 \nATOM 760 C C . LEU A 1 107 ? 20.288 29.581 24.284 1.00 32.64 ? 799 LEU A C 1 \nATOM 761 O O . LEU A 1 107 ? 20.748 29.461 25.421 1.00 31.25 ? 799 LEU A O 1 \nATOM 762 C CB . LEU A 1 107 ? 21.592 28.875 22.230 1.00 32.88 ? 799 LEU A CB 1 \nATOM 763 C CG . LEU A 1 107 ? 22.929 29.276 22.874 1.00 31.32 ? 799 LEU A CG 1 \nATOM 764 C CD1 . LEU A 1 107 ? 23.518 28.108 23.667 1.00 36.85 ? 799 LEU A CD1 1 \nATOM 765 C CD2 . LEU A 1 107 ? 23.967 29.769 21.868 1.00 36.94 ? 799 LEU A CD2 1 \nATOM 766 N N . ASP A 1 108 ? 19.583 30.643 23.912 1.00 32.68 ? 800 ASP A N 1 \nATOM 767 C CA . ASP A 1 108 ? 19.374 31.739 24.855 1.00 34.91 ? 800 ASP A CA 1 \nATOM 768 C C . ASP A 1 108 ? 18.443 31.291 25.942 1.00 31.79 ? 800 ASP A C 1 \nATOM 769 O O . ASP A 1 108 ? 18.597 31.688 27.095 1.00 32.60 ? 800 ASP A O 1 \nATOM 770 C CB . ASP A 1 108 ? 18.845 32.992 24.160 1.00 34.98 ? 800 ASP A CB 1 \nATOM 771 C CG . ASP A 1 108 ? 19.900 33.683 23.315 1.00 52.24 ? 800 ASP A CG 1 \nATOM 772 O OD1 . ASP A 1 108 ? 19.513 34.368 22.349 1.00 55.86 ? 800 ASP A OD1 1 \nATOM 773 O OD2 . ASP A 1 108 ? 21.114 33.544 23.610 1.00 50.16 ? 800 ASP A OD2 1 \nATOM 774 N N . TYR A 1 109 ? 17.485 30.434 25.575 1.00 32.99 ? 801 TYR A N 1 \nATOM 775 C CA . TYR A 1 109 ? 16.480 29.942 26.513 1.00 37.10 ? 801 TYR A CA 1 \nATOM 776 C C . TYR A 1 109 ? 17.077 29.074 27.614 1.00 36.24 ? 801 TYR A C 1 \nATOM 777 O O . TYR A 1 109 ? 16.769 29.274 28.794 1.00 36.20 ? 801 TYR A O 1 \nATOM 778 C CB . TYR A 1 109 ? 15.381 29.168 25.781 1.00 31.79 ? 801 TYR A CB 1 \nATOM 779 C CG . TYR A 1 109 ? 14.195 28.833 26.648 1.00 40.70 ? 801 TYR A CG 1 \nATOM 780 C CD1 . TYR A 1 109 ? 14.160 27.658 27.392 1.00 40.54 ? 801 TYR A CD1 1 \nATOM 781 C CD2 . TYR A 1 109 ? 13.087 29.703 26.717 1.00 40.28 ? 801 TYR A CD2 1 \nATOM 782 C CE1 . TYR A 1 109 ? 13.060 27.344 28.187 1.00 45.35 ? 801 TYR A CE1 1 \nATOM 783 C CE2 . TYR A 1 109 ? 11.985 29.402 27.512 1.00 47.53 ? 801 TYR A CE2 1 \nATOM 784 C CZ . TYR A 1 109 ? 11.979 28.223 28.241 1.00 48.21 ? 801 TYR A CZ 1 \nATOM 785 O OH . TYR A 1 109 ? 10.900 27.909 29.028 1.00 52.74 ? 801 TYR A OH 1 \nATOM 786 N N . VAL A 1 110 ? 17.945 28.132 27.248 1.00 34.38 ? 802 VAL A N 1 \nATOM 787 C CA . VAL A 1 110 ? 18.619 27.317 28.275 1.00 32.90 ? 802 VAL A CA 1 \nATOM 788 C C . VAL A 1 110 ? 19.560 28.099 29.203 1.00 35.29 ? 802 VAL A C 1 \nATOM 789 O O . VAL A 1 110 ? 19.650 27.794 30.384 1.00 36.18 ? 802 VAL A O 1 \nATOM 790 C CB . VAL A 1 110 ? 19.318 26.049 27.707 1.00 35.68 ? 802 VAL A CB 1 \nATOM 791 C CG1 . VAL A 1 110 ? 18.309 25.183 26.975 1.00 32.43 ? 802 VAL A CG1 1 \nATOM 792 C CG2 . VAL A 1 110 ? 20.491 26.388 26.799 1.00 30.24 ? 802 VAL A CG2 1 \nATOM 793 N N . ARG A 1 111 ? 20.273 29.077 28.652 1.00 35.21 ? 803 ARG A N 1 \nATOM 794 C CA . ARG A 1 111 ? 21.118 29.983 29.430 1.00 34.14 ? 803 ARG A CA 1 \nATOM 795 C C . ARG A 1 111 ? 20.283 30.806 30.422 1.00 34.89 ? 803 ARG A C 1 \nATOM 796 O O . ARG A 1 111 ? 20.659 30.943 31.581 1.00 36.87 ? 803 ARG A O 1 \nATOM 797 C CB . ARG A 1 111 ? 21.882 30.923 28.493 1.00 37.80 ? 803 ARG A CB 1 \nATOM 798 C CG . ARG A 1 111 ? 23.077 30.252 27.824 1.00 40.47 ? 803 ARG A CG 1 \nATOM 799 C CD . ARG A 1 111 ? 23.626 31.102 26.693 1.00 37.81 ? 803 ARG A CD 1 \nATOM 800 N NE . ARG A 1 111 ? 24.840 30.526 26.094 1.00 31.61 ? 803 ARG A NE 1 \nATOM 801 C CZ . ARG A 1 111 ? 25.558 31.121 25.144 1.00 42.39 ? 803 ARG A CZ 1 \nATOM 802 N NH1 . ARG A 1 111 ? 25.187 32.304 24.666 1.00 40.81 ? 803 ARG A NH1 1 \nATOM 803 N NH2 . ARG A 1 111 ? 26.647 30.541 24.660 1.00 37.03 ? 803 ARG A NH2 1 \nATOM 804 N N . GLU A 1 112 ? 19.133 31.303 29.973 1.00 38.72 ? 804 GLU A N 1 \nATOM 805 C CA . GLU A 1 112 ? 18.271 32.145 30.822 1.00 41.32 ? 804 GLU A CA 1 \nATOM 806 C C . GLU A 1 112 ? 17.514 31.355 31.902 1.00 49.15 ? 804 GLU A C 1 \nATOM 807 O O . GLU A 1 112 ? 17.378 31.812 33.048 1.00 42.48 ? 804 GLU A O 1 \nATOM 808 C CB . GLU A 1 112 ? 17.299 32.946 29.948 1.00 41.36 ? 804 GLU A CB 1 \nATOM 809 C CG . GLU A 1 112 ? 16.339 33.862 30.708 1.00 59.06 ? 804 GLU A CG 1 \nATOM 810 C CD . GLU A 1 112 ? 16.924 35.233 31.006 1.00 77.26 ? 804 GLU A CD 1 \nATOM 811 O OE1 . GLU A 1 112 ? 18.167 35.388 30.997 1.00 77.65 ? 804 GLU A OE1 1 \nATOM 812 O OE2 . GLU A 1 112 ? 16.130 36.168 31.246 1.00 98.71 ? 804 GLU A OE2 1 \nATOM 813 N N . HIS A 1 113 ? 17.039 30.166 31.541 1.00 38.93 ? 805 HIS A N 1 \nATOM 814 C CA . HIS A 1 113 ? 16.138 29.400 32.401 1.00 43.34 ? 805 HIS A CA 1 \nATOM 815 C C . HIS A 1 113 ? 16.748 28.177 33.068 1.00 43.35 ? 805 HIS A C 1 \nATOM 816 O O . HIS A 1 113 ? 16.020 27.342 33.600 1.00 51.79 ? 805 HIS A O 1 \nATOM 817 C CB . HIS A 1 113 ? 14.870 29.006 31.632 1.00 44.55 ? 805 HIS A CB 1 \nATOM 818 C CG . HIS A 1 113 ? 14.083 30.182 31.156 1.00 52.86 ? 805 HIS A CG 1 \nATOM 819 N ND1 . HIS A 1 113 ? 14.167 30.660 29.867 1.00 54.67 ? 805 HIS A ND1 1 \nATOM 820 C CD2 . HIS A 1 113 ? 13.232 31.007 31.809 1.00 55.38 ? 805 HIS A CD2 1 \nATOM 821 C CE1 . HIS A 1 113 ? 13.389 31.720 29.742 1.00 60.50 ? 805 HIS A CE1 1 \nATOM 822 N NE2 . HIS A 1 113 ? 12.809 31.950 30.905 1.00 62.29 ? 805 HIS A NE2 1 \nATOM 823 N N . LYS A 1 114 ? 18.074 28.090 33.066 1.00 44.74 ? 806 LYS A N 1 \nATOM 824 C CA . LYS A 1 114 ? 18.785 26.942 33.615 1.00 45.17 ? 806 LYS A CA 1 \nATOM 825 C C . LYS A 1 114 ? 18.172 26.384 34.918 1.00 56.68 ? 806 LYS A C 1 \nATOM 826 O O . LYS A 1 114 ? 17.865 25.192 35.011 1.00 53.97 ? 806 LYS A O 1 \nATOM 827 C CB . LYS A 1 114 ? 20.268 27.288 33.806 1.00 43.12 ? 806 LYS A CB 1 \nATOM 828 C CG . LYS A 1 114 ? 21.042 26.183 34.499 1.00 58.87 ? 806 LYS A CG 1 \nATOM 829 C CD . LYS A 1 114 ? 22.491 26.560 34.763 1.00 64.56 ? 806 LYS A CD 1 \nATOM 830 C CE . LYS A 1 114 ? 23.200 25.398 35.441 1.00 65.16 ? 806 LYS A CE 1 \nATOM 831 N NZ . LYS A 1 114 ? 24.382 25.844 36.218 1.00 60.36 ? 806 LYS A NZ 1 \nATOM 832 N N . ASP A 1 115 ? 17.965 27.256 35.904 1.00 53.18 ? 807 ASP A N 1 \nATOM 833 C CA . ASP A 1 115 ? 17.482 26.843 37.231 1.00 56.78 ? 807 ASP A CA 1 \nATOM 834 C C . ASP A 1 115 ? 16.028 26.323 37.271 1.00 63.01 ? 807 ASP A C 1 \nATOM 835 O O . ASP A 1 115 ? 15.553 25.851 38.313 1.00 56.81 ? 807 ASP A O 1 \nATOM 836 C CB . ASP A 1 115 ? 17.667 27.995 38.233 1.00 62.76 ? 807 ASP A CB 1 \nATOM 837 C CG . ASP A 1 115 ? 19.124 28.431 38.363 1.00 73.79 ? 807 ASP A CG 1 \nATOM 838 O OD1 . ASP A 1 115 ? 20.027 27.618 38.050 1.00 68.87 ? 807 ASP A OD1 1 \nATOM 839 O OD2 . ASP A 1 115 ? 19.366 29.586 38.782 1.00 75.03 ? 807 ASP A OD2 1 \nATOM 840 N N . ASN A 1 116 ? 15.330 26.396 36.142 1.00 45.89 ? 808 ASN A N 1 \nATOM 841 C CA . ASN A 1 116 ? 13.943 25.914 36.067 1.00 56.29 ? 808 ASN A CA 1 \nATOM 842 C C . ASN A 1 116 ? 13.695 24.837 35.025 1.00 52.02 ? 808 ASN A C 1 \nATOM 843 O O . ASN A 1 116 ? 12.554 24.400 34.845 1.00 49.29 ? 808 ASN A O 1 \nATOM 844 C CB . ASN A 1 116 ? 12.980 27.078 35.838 1.00 48.40 ? 808 ASN A CB 1 \nATOM 845 C CG . ASN A 1 116 ? 12.826 27.946 37.065 1.00 62.63 ? 808 ASN A CG 1 \nATOM 846 O OD1 . ASN A 1 116 ? 12.477 27.461 38.144 1.00 73.28 ? 808 ASN A OD1 1 \nATOM 847 N ND2 . ASN A 1 116 ? 13.085 29.238 36.909 1.00 61.06 ? 808 ASN A ND2 1 \nATOM 848 N N . ILE A 1 117 ? 14.753 24.416 34.339 1.00 48.57 ? 809 ILE A N 1 \nATOM 849 C CA . ILE A 1 117 ? 14.637 23.400 33.288 1.00 41.03 ? 809 ILE A CA 1 \nATOM 850 C C . ILE A 1 117 ? 14.874 21.999 33.849 1.00 45.86 ? 809 ILE A C 1 \nATOM 851 O O . ILE A 1 117 ? 15.958 21.694 34.351 1.00 41.10 ? 809 ILE A O 1 \nATOM 852 C CB . ILE A 1 117 ? 15.604 23.686 32.115 1.00 41.13 ? 809 ILE A CB 1 \nATOM 853 C CG1 . ILE A 1 117 ? 15.190 24.972 31.390 1.00 35.35 ? 809 ILE A CG1 1 \nATOM 854 C CG2 . ILE A 1 117 ? 15.645 22.510 31.144 1.00 38.57 ? 809 ILE A CG2 1 \nATOM 855 C CD1 . ILE A 1 117 ? 16.272 25.545 30.484 1.00 34.81 ? 809 ILE A CD1 1 \nATOM 856 N N . GLY A 1 118 ? 13.852 21.151 33.736 1.00 42.20 ? 810 GLY A N 1 \nATOM 857 C CA . GLY A 1 118 ? 13.925 19.761 34.180 1.00 45.43 ? 810 GLY A CA 1 \nATOM 858 C C . GLY A 1 118 ? 14.296 18.770 33.086 1.00 40.55 ? 810 GLY A C 1 \nATOM 859 O O . GLY A 1 118 ? 14.349 19.116 31.901 1.00 40.46 ? 810 GLY A O 1 \nATOM 860 N N . SER A 1 119 ? 14.534 17.525 33.485 1.00 36.70 ? 811 SER A N 1 \nATOM 861 C CA . SER A 1 119 ? 15.009 16.508 32.567 1.00 39.63 ? 811 SER A CA 1 \nATOM 862 C C . SER A 1 119 ? 14.044 16.236 31.431 1.00 40.65 ? 811 SER A C 1 \nATOM 863 O O . SER A 1 119 ? 14.482 15.944 30.322 1.00 35.55 ? 811 SER A O 1 \nATOM 864 C CB . SER A 1 119 ? 15.310 15.211 33.314 1.00 42.84 ? 811 SER A CB 1 \nATOM 865 O OG . SER A 1 119 ? 14.205 14.860 34.128 1.00 46.09 ? 811 SER A OG 1 \nATOM 866 N N . GLN A 1 120 ? 12.738 16.306 31.721 1.00 36.00 ? 812 GLN A N 1 \nATOM 867 C CA . GLN A 1 120 ? 11.706 16.021 30.737 1.00 37.19 ? 812 GLN A CA 1 \nATOM 868 C C . GLN A 1 120 ? 11.785 16.967 29.549 1.00 36.52 ? 812 GLN A C 1 \nATOM 869 O O . GLN A 1 120 ? 11.662 16.540 28.397 1.00 33.95 ? 812 GLN A O 1 \nATOM 870 C CB . GLN A 1 120 ? 10.313 16.118 31.379 1.00 42.80 ? 812 GLN A CB 1 \nATOM 871 C CG . GLN A 1 120 ? 9.171 15.675 30.473 1.00 41.78 ? 812 GLN A CG 1 \nATOM 872 C CD . GLN A 1 120 ? 9.182 14.179 30.210 1.00 46.95 ? 812 GLN A CD 1 \nATOM 873 O OE1 . GLN A 1 120 ? 8.750 13.390 31.044 1.00 44.42 ? 812 GLN A OE1 1 \nATOM 874 N NE2 . GLN A 1 120 ? 9.675 13.785 29.044 1.00 42.08 ? 812 GLN A NE2 1 \nATOM 875 N N . TYR A 1 121 ? 11.963 18.254 29.832 1.00 32.34 ? 813 TYR A N 1 \nATOM 876 C CA . TYR A 1 121 ? 12.030 19.240 28.771 1.00 32.29 ? 813 TYR A CA 1 \nATOM 877 C C . TYR A 1 121 ? 13.266 19.034 27.908 1.00 31.16 ? 813 TYR A C 1 \nATOM 878 O O . TYR A 1 121 ? 13.163 19.089 26.680 1.00 29.68 ? 813 TYR A O 1 \nATOM 879 C CB . TYR A 1 121 ? 12.024 20.652 29.344 1.00 38.14 ? 813 TYR A CB 1 \nATOM 880 C CG . TYR A 1 121 ? 10.622 21.155 29.638 1.00 51.63 ? 813 TYR A CG 1 \nATOM 881 C CD1 . TYR A 1 121 ? 9.906 21.869 28.679 1.00 54.26 ? 813 TYR A CD1 1 \nATOM 882 C CD2 . TYR A 1 121 ? 10.009 20.895 30.864 1.00 53.00 ? 813 TYR A CD2 1 \nATOM 883 C CE1 . TYR A 1 121 ? 8.622 22.329 28.940 1.00 68.44 ? 813 TYR A CE1 1 \nATOM 884 C CE2 . TYR A 1 121 ? 8.726 21.352 31.135 1.00 63.66 ? 813 TYR A CE2 1 \nATOM 885 C CZ . TYR A 1 121 ? 8.039 22.066 30.169 1.00 71.43 ? 813 TYR A CZ 1 \nATOM 886 O OH . TYR A 1 121 ? 6.767 22.523 30.430 1.00 76.05 ? 813 TYR A OH 1 \nATOM 887 N N . LEU A 1 122 ? 14.420 18.807 28.549 1.00 36.58 ? 814 LEU A N 1 \nATOM 888 C CA . LEU A 1 122 ? 15.674 18.661 27.821 1.00 30.86 ? 814 LEU A CA 1 \nATOM 889 C C . LEU A 1 122 ? 15.637 17.463 26.892 1.00 35.35 ? 814 LEU A C 1 \nATOM 890 O O . LEU A 1 122 ? 16.056 17.551 25.749 1.00 32.61 ? 814 LEU A O 1 \nATOM 891 C CB . LEU A 1 122 ? 16.871 18.486 28.781 1.00 34.36 ? 814 LEU A CB 1 \nATOM 892 C CG . LEU A 1 122 ? 17.315 19.756 29.502 1.00 32.88 ? 814 LEU A CG 1 \nATOM 893 C CD1 . LEU A 1 122 ? 18.045 19.417 30.796 1.00 31.09 ? 814 LEU A CD1 1 \nATOM 894 C CD2 . LEU A 1 122 ? 18.149 20.612 28.556 1.00 31.70 ? 814 LEU A CD2 1 \nATOM 895 N N . LEU A 1 123 ? 15.127 16.340 27.389 1.00 32.49 ? 815 LEU A N 1 \nATOM 896 C CA . LEU A 1 123 ? 15.018 15.148 26.557 1.00 32.42 ? 815 LEU A CA 1 \nATOM 897 C C . LEU A 1 123 ? 13.996 15.297 25.445 1.00 28.76 ? 815 LEU A C 1 \nATOM 898 O O . LEU A 1 123 ? 14.208 14.802 24.337 1.00 26.06 ? 815 LEU A O 1 \nATOM 899 C CB . LEU A 1 123 ? 14.741 13.911 27.415 1.00 29.83 ? 815 LEU A CB 1 \nATOM 900 C CG . LEU A 1 123 ? 15.915 13.501 28.312 1.00 33.92 ? 815 LEU A CG 1 \nATOM 901 C CD1 . LEU A 1 123 ? 15.462 12.483 29.345 1.00 36.17 ? 815 LEU A CD1 1 \nATOM 902 C CD2 . LEU A 1 123 ? 17.080 12.941 27.508 1.00 37.71 ? 815 LEU A CD2 1 \nATOM 903 N N . ASN A 1 124 ? 12.867 15.947 25.736 1.00 30.63 ? 816 ASN A N 1 \nATOM 904 C CA . ASN A 1 124 ? 11.881 16.223 24.681 1.00 31.65 ? 816 ASN A CA 1 \nATOM 905 C C . ASN A 1 124 ? 12.464 17.122 23.582 1.00 28.45 ? 816 ASN A C 1 \nATOM 906 O O . ASN A 1 124 ? 12.242 16.892 22.404 1.00 28.56 ? 816 ASN A O 1 \nATOM 907 C CB . ASN A 1 124 ? 10.589 16.848 25.249 1.00 31.15 ? 816 ASN A CB 1 \nATOM 908 C CG . ASN A 1 124 ? 9.707 15.839 25.984 1.00 41.85 ? 816 ASN A CG 1 \nATOM 909 O OD1 . ASN A 1 124 ? 9.945 14.631 25.965 1.00 44.46 ? 816 ASN A OD1 1 \nATOM 910 N ND2 . ASN A 1 124 ? 8.653 16.349 26.627 1.00 44.28 ? 816 ASN A ND2 1 \nATOM 911 N N . TRP A 1 125 ? 13.245 18.122 23.953 1.00 31.52 ? 817 TRP A N 1 \nATOM 912 C CA . TRP A 1 125 ? 13.885 18.918 22.908 1.00 34.10 ? 817 TRP A CA 1 \nATOM 913 C C . TRP A 1 125 ? 14.764 18.075 21.997 1.00 28.46 ? 817 TRP A C 1 \nATOM 914 O O . TRP A 1 125 ? 14.776 18.295 20.785 1.00 27.78 ? 817 TRP A O 1 \nATOM 915 C CB . TRP A 1 125 ? 14.656 20.106 23.455 1.00 35.22 ? 817 TRP A CB 1 \nATOM 916 C CG . TRP A 1 125 ? 13.763 21.120 24.175 1.00 35.48 ? 817 TRP A CG 1 \nATOM 917 C CD1 . TRP A 1 125 ? 12.435 21.414 23.920 1.00 38.29 ? 817 TRP A CD1 1 \nATOM 918 C CD2 . TRP A 1 125 ? 14.147 21.925 25.286 1.00 33.22 ? 817 TRP A CD2 1 \nATOM 919 N NE1 . TRP A 1 125 ? 11.996 22.373 24.796 1.00 34.21 ? 817 TRP A NE1 1 \nATOM 920 C CE2 . TRP A 1 125 ? 13.019 22.700 25.653 1.00 42.26 ? 817 TRP A CE2 1 \nATOM 921 C CE3 . TRP A 1 125 ? 15.343 22.066 26.017 1.00 35.06 ? 817 TRP A CE3 1 \nATOM 922 C CZ2 . TRP A 1 125 ? 13.048 23.613 26.725 1.00 36.27 ? 817 TRP A CZ2 1 \nATOM 923 C CZ3 . TRP A 1 125 ? 15.376 22.974 27.084 1.00 37.42 ? 817 TRP A CZ3 1 \nATOM 924 C CH2 . TRP A 1 125 ? 14.226 23.738 27.424 1.00 39.45 ? 817 TRP A CH2 1 \nATOM 925 N N . CYS A 1 126 ? 15.495 17.121 22.578 1.00 31.30 ? 818 CYS A N 1 \nATOM 926 C CA . CYS A 1 126 ? 16.398 16.272 21.797 1.00 28.29 ? 818 CYS A CA 1 \nATOM 927 C C . CYS A 1 126 ? 15.629 15.435 20.803 1.00 27.53 ? 818 CYS A C 1 \nATOM 928 O O . CYS A 1 126 ? 16.079 15.239 19.659 1.00 24.60 ? 818 CYS A O 1 \nATOM 929 C CB . CYS A 1 126 ? 17.216 15.373 22.712 1.00 30.70 ? 818 CYS A CB 1 \nATOM 930 S SG . CYS A 1 126 ? 18.371 16.323 23.741 1.00 32.48 ? 818 CYS A SG 1 \nATOM 931 N N . VAL A 1 127 ? 14.447 14.962 21.226 1.00 29.56 ? 819 VAL A N 1 \nATOM 932 C CA . VAL A 1 127 ? 13.585 14.184 20.330 1.00 26.87 ? 819 VAL A CA 1 \nATOM 933 C C . VAL A 1 127 ? 13.133 15.070 19.189 1.00 22.48 ? 819 VAL A C 1 \nATOM 934 O O . VAL A 1 127 ? 13.221 14.688 18.026 1.00 27.83 ? 819 VAL A O 1 \nATOM 935 C CB . VAL A 1 127 ? 12.334 13.601 21.046 1.00 30.60 ? 819 VAL A CB 1 \nATOM 936 C CG1 . VAL A 1 127 ? 11.386 12.992 20.031 1.00 33.23 ? 819 VAL A CG1 1 \nATOM 937 C CG2 . VAL A 1 127 ? 12.751 12.531 22.052 1.00 33.03 ? 819 VAL A CG2 1 \nATOM 938 N N . GLN A 1 128 ? 12.588 16.240 19.538 1.00 25.20 ? 820 GLN A N 1 \nATOM 939 C CA . GLN A 1 128 ? 12.071 17.161 18.544 1.00 24.15 ? 820 GLN A CA 1 \nATOM 940 C C . GLN A 1 128 ? 13.084 17.584 17.506 1.00 28.99 ? 820 GLN A C 1 \nATOM 941 O O . GLN A 1 128 ? 12.771 17.653 16.320 1.00 26.26 ? 820 GLN A O 1 \nATOM 942 C CB . GLN A 1 128 ? 11.485 18.387 19.236 1.00 30.21 ? 820 GLN A CB 1 \nATOM 943 C CG . GLN A 1 128 ? 10.167 18.044 19.948 1.00 29.63 ? 820 GLN A CG 1 \nATOM 944 C CD . GLN A 1 128 ? 9.625 19.192 20.778 1.00 40.17 ? 820 GLN A CD 1 \nATOM 945 O OE1 . GLN A 1 128 ? 10.012 20.344 20.586 1.00 38.95 ? 820 GLN A OE1 1 \nATOM 946 N NE2 . GLN A 1 128 ? 8.715 18.876 21.719 1.00 39.16 ? 820 GLN A NE2 1 \nATOM 947 N N . ILE A 1 129 ? 14.286 17.887 17.970 1.00 26.92 ? 821 ILE A N 1 \nATOM 948 C CA . ILE A 1 129 ? 15.378 18.243 17.044 1.00 27.15 ? 821 ILE A CA 1 \nATOM 949 C C . ILE A 1 129 ? 15.708 17.057 16.121 1.00 21.32 ? 821 ILE A C 1 \nATOM 950 O O . ILE A 1 129 ? 15.835 17.221 14.917 1.00 22.85 ? 821 ILE A O 1 \nATOM 951 C CB . ILE A 1 129 ? 16.633 18.777 17.769 1.00 28.62 ? 821 ILE A CB 1 \nATOM 952 C CG1 . ILE A 1 129 ? 16.328 20.096 18.516 1.00 25.26 ? 821 ILE A CG1 1 \nATOM 953 C CG2 . ILE A 1 129 ? 17.749 18.986 16.749 1.00 24.04 ? 821 ILE A CG2 1 \nATOM 954 C CD1 . ILE A 1 129 ? 17.358 20.475 19.579 1.00 24.33 ? 821 ILE A CD1 1 \nATOM 955 N N . ALA A 1 130 ? 15.776 15.855 16.678 1.00 23.15 ? 822 ALA A N 1 \nATOM 956 C CA . ALA A 1 130 ? 16.024 14.676 15.861 1.00 26.29 ? 822 ALA A CA 1 \nATOM 957 C C . ALA A 1 130 ? 14.870 14.421 14.888 1.00 22.85 ? 822 ALA A C 1 \nATOM 958 O O . ALA A 1 130 ? 15.078 14.004 13.766 1.00 22.39 ? 822 ALA A O 1 \nATOM 959 C CB . ALA A 1 130 ? 16.303 13.459 16.738 1.00 32.12 ? 822 ALA A CB 1 \nATOM 960 N N . LYS A 1 131 ? 13.620 14.706 15.281 1.00 22.94 ? 823 LYS A N 1 \nATOM 961 C CA . LYS A 1 131 ? 12.570 14.518 14.276 1.00 24.82 ? 823 LYS A CA 1 \nATOM 962 C C . LYS A 1 131 ? 12.712 15.503 13.100 1.00 23.26 ? 823 LYS A C 1 \nATOM 963 O O . LYS A 1 131 ? 12.557 15.124 11.928 1.00 26.11 ? 823 LYS A O 1 \nATOM 964 C CB . LYS A 1 131 ? 11.183 14.694 14.927 1.00 22.51 ? 823 LYS A CB 1 \nATOM 965 C CG . LYS A 1 131 ? 10.779 13.603 15.894 1.00 28.59 ? 823 LYS A CG 1 \nATOM 966 C CD . LYS A 1 131 ? 9.395 13.859 16.515 1.00 31.72 ? 823 LYS A CD 1 \nATOM 967 C CE . LYS A 1 131 ? 9.078 12.757 17.512 1.00 37.15 ? 823 LYS A CE 1 \nATOM 968 N NZ . LYS A 1 131 ? 7.670 12.819 18.034 1.00 38.50 ? 823 LYS A NZ 1 \nATOM 969 N N . GLY A 1 132 ? 12.985 16.775 13.391 1.00 25.36 ? 824 GLY A N 1 \nATOM 970 C CA . GLY A 1 132 ? 13.145 17.759 12.309 1.00 29.39 ? 824 GLY A CA 1 \nATOM 971 C C . GLY A 1 132 ? 14.330 17.419 11.403 1.00 26.12 ? 824 GLY A C 1 \nATOM 972 O O . GLY A 1 132 ? 14.287 17.590 10.179 1.00 24.27 ? 824 GLY A O 1 \nATOM 973 N N . MET A 1 133 ? 15.416 16.956 12.009 1.00 27.53 ? 825 MET A N 1 \nATOM 974 C CA . MET A 1 133 ? 16.585 16.546 11.189 1.00 24.74 ? 825 MET A CA 1 \nATOM 975 C C . MET A 1 133 ? 16.271 15.293 10.348 1.00 23.11 ? 825 MET A C 1 \nATOM 976 O O . MET A 1 133 ? 16.627 15.224 9.171 1.00 25.98 ? 825 MET A O 1 \nATOM 977 C CB . MET A 1 133 ? 17.820 16.335 12.068 1.00 26.81 ? 825 MET A CB 1 \nATOM 978 C CG . MET A 1 133 ? 18.301 17.619 12.738 1.00 28.15 ? 825 MET A CG 1 \nATOM 979 S SD . MET A 1 133 ? 18.784 18.939 11.613 1.00 28.88 ? 825 MET A SD 1 \nATOM 980 C CE . MET A 1 133 ? 20.287 18.281 10.877 1.00 27.33 ? 825 MET A CE 1 \nATOM 981 N N . ASN A 1 134 ? 15.517 14.352 10.905 1.00 27.36 ? 826 ASN A N 1 \nATOM 982 C CA . ASN A 1 134 ? 15.105 13.212 10.109 1.00 26.66 ? 826 ASN A CA 1 \nATOM 983 C C . ASN A 1 134 ? 14.194 13.641 8.933 1.00 24.20 ? 826 ASN A C 1 \nATOM 984 O O . ASN A 1 134 ? 14.274 13.071 7.825 1.00 22.04 ? 826 ASN A O 1 \nATOM 985 C CB . ASN A 1 134 ? 14.425 12.149 10.976 1.00 26.04 ? 826 ASN A CB 1 \nATOM 986 C CG . ASN A 1 134 ? 14.052 10.912 10.187 1.00 28.55 ? 826 ASN A CG 1 \nATOM 987 O OD1 . ASN A 1 134 ? 14.915 10.179 9.684 1.00 27.71 ? 826 ASN A OD1 1 \nATOM 988 N ND2 . ASN A 1 134 ? 12.746 10.665 10.078 1.00 31.03 ? 826 ASN A ND2 1 \nATOM 989 N N . TYR A 1 135 ? 13.365 14.662 9.159 1.00 30.63 ? 827 TYR A N 1 \nATOM 990 C CA . TYR A 1 135 ? 12.519 15.203 8.080 1.00 29.94 ? 827 TYR A CA 1 \nATOM 991 C C . TYR A 1 135 ? 13.389 15.835 7.001 1.00 30.42 ? 827 TYR A C 1 \nATOM 992 O O . TYR A 1 135 ? 13.182 15.591 5.813 1.00 26.26 ? 827 TYR A O 1 \nATOM 993 C CB . TYR A 1 135 ? 11.488 16.219 8.608 1.00 27.76 ? 827 TYR A CB 1 \nATOM 994 C CG . TYR A 1 135 ? 10.671 16.810 7.495 1.00 26.46 ? 827 TYR A CG 1 \nATOM 995 C CD1 . TYR A 1 135 ? 9.442 16.223 7.089 1.00 28.24 ? 827 TYR A CD1 1 \nATOM 996 C CD2 . TYR A 1 135 ? 11.074 17.986 6.891 1.00 26.58 ? 827 TYR A CD2 1 \nATOM 997 C CE1 . TYR A 1 135 ? 8.711 16.792 6.051 1.00 24.43 ? 827 TYR A CE1 1 \nATOM 998 C CE2 . TYR A 1 135 ? 10.380 18.533 5.846 1.00 24.77 ? 827 TYR A CE2 1 \nATOM 999 C CZ . TYR A 1 135 ? 9.154 17.955 5.472 1.00 29.96 ? 827 TYR A CZ 1 \nATOM 1000 O OH . TYR A 1 135 ? 8.510 18.524 4.443 1.00 28.47 ? 827 TYR A OH 1 \nATOM 1001 N N . LEU A 1 136 ? 14.400 16.619 7.395 1.00 28.36 ? 828 LEU A N 1 \nATOM 1002 C CA . LEU A 1 136 ? 15.313 17.165 6.391 1.00 30.91 ? 828 LEU A CA 1 \nATOM 1003 C C . LEU A 1 136 ? 16.033 16.056 5.597 1.00 25.76 ? 828 LEU A C 1 \nATOM 1004 O O . LEU A 1 136 ? 16.242 16.188 4.400 1.00 24.44 ? 828 LEU A O 1 \nATOM 1005 C CB . LEU A 1 136 ? 16.298 18.149 7.029 1.00 24.38 ? 828 LEU A CB 1 \nATOM 1006 C CG . LEU A 1 136 ? 15.708 19.448 7.601 1.00 26.71 ? 828 LEU A CG 1 \nATOM 1007 C CD1 . LEU A 1 136 ? 16.776 20.314 8.270 1.00 34.46 ? 828 LEU A CD1 1 \nATOM 1008 C CD2 . LEU A 1 136 ? 15.025 20.236 6.478 1.00 32.58 ? 828 LEU A CD2 1 \nATOM 1009 N N . GLU A 1 137 ? 16.362 14.944 6.253 1.00 26.25 ? 829 GLU A N 1 \nATOM 1010 C CA . GLU A 1 137 ? 17.037 13.848 5.551 1.00 25.11 ? 829 GLU A CA 1 \nATOM 1011 C C . GLU A 1 137 ? 16.085 13.197 4.524 1.00 28.25 ? 829 GLU A C 1 \nATOM 1012 O O . GLU A 1 137 ? 16.466 12.860 3.407 1.00 26.58 ? 829 GLU A O 1 \nATOM 1013 C CB . GLU A 1 137 ? 17.688 12.862 6.540 1.00 24.51 ? 829 GLU A CB 1 \nATOM 1014 C CG . GLU A 1 137 ? 18.425 11.676 5.898 1.00 30.84 ? 829 GLU A CG 1 \nATOM 1015 C CD . GLU A 1 137 ? 19.136 10.739 6.887 1.00 29.05 ? 829 GLU A CD 1 \nATOM 1016 O OE1 . GLU A 1 137 ? 19.042 10.932 8.126 1.00 33.17 ? 829 GLU A OE1 1 \nATOM 1017 O OE2 . GLU A 1 137 ? 19.758 9.762 6.413 1.00 25.79 ? 829 GLU A OE2 1 \nATOM 1018 N N . ASP A 1 138 ? 14.822 13.067 4.895 1.00 28.69 ? 830 ASP A N 1 \nATOM 1019 C CA . ASP A 1 138 ? 13.805 12.642 3.916 1.00 32.95 ? 830 ASP A CA 1 \nATOM 1020 C C . ASP A 1 138 ? 13.687 13.610 2.727 1.00 30.22 ? 830 ASP A C 1 \nATOM 1021 O O . ASP A 1 138 ? 13.474 13.181 1.591 1.00 31.90 ? 830 ASP A O 1 \nATOM 1022 C CB . ASP A 1 138 ? 12.453 12.404 4.600 1.00 30.71 ? 830 ASP A CB 1 \nATOM 1023 C CG . ASP A 1 138 ? 12.429 11.120 5.445 1.00 33.56 ? 830 ASP A CG 1 \nATOM 1024 O OD1 . ASP A 1 138 ? 11.726 11.097 6.469 1.00 33.94 ? 830 ASP A OD1 1 \nATOM 1025 O OD2 . ASP A 1 138 ? 13.131 10.142 5.116 1.00 34.53 ? 830 ASP A OD2 1 \nATOM 1026 N N . ARG A 1 139 ? 13.844 14.905 2.985 1.00 24.69 ? 831 ARG A N 1 \nATOM 1027 C CA . ARG A 1 139 ? 13.849 15.901 1.922 1.00 27.76 ? 831 ARG A CA 1 \nATOM 1028 C C . ARG A 1 139 ? 15.213 15.968 1.207 1.00 30.75 ? 831 ARG A C 1 \nATOM 1029 O O . ARG A 1 139 ? 15.390 16.755 0.314 1.00 33.68 ? 831 ARG A O 1 \nATOM 1030 C CB . ARG A 1 139 ? 13.443 17.294 2.460 1.00 31.23 ? 831 ARG A CB 1 \nATOM 1031 C CG . ARG A 1 139 ? 11.941 17.456 2.717 1.00 48.98 ? 831 ARG A CG 1 \nATOM 1032 C CD . ARG A 1 139 ? 11.132 17.048 1.486 1.00 54.64 ? 831 ARG A CD 1 \nATOM 1033 N NE . ARG A 1 139 ? 9.727 17.486 1.420 1.00 61.13 ? 831 ARG A NE 1 \nATOM 1034 C CZ . ARG A 1 139 ? 9.329 18.755 1.320 1.00 57.98 ? 831 ARG A CZ 1 \nATOM 1035 N NH1 . ARG A 1 139 ? 8.030 19.054 1.222 1.00 43.34 ? 831 ARG A NH1 1 \nATOM 1036 N NH2 . ARG A 1 139 ? 10.224 19.734 1.332 1.00 75.24 ? 831 ARG A NH2 1 \nATOM 1037 N N . ARG A 1 140 ? 16.169 15.134 1.608 1.00 32.01 ? 832 ARG A N 1 \nATOM 1038 C CA . ARG A 1 140 ? 17.523 15.181 0.987 1.00 25.88 ? 832 ARG A CA 1 \nATOM 1039 C C . ARG A 1 140 ? 18.165 16.581 1.055 1.00 26.82 ? 832 ARG A C 1 \nATOM 1040 O O . ARG A 1 140 ? 18.870 17.014 0.144 1.00 39.99 ? 832 ARG A O 1 \nATOM 1041 C CB . ARG A 1 140 ? 17.481 14.595 -0.449 1.00 26.75 ? 832 ARG A CB 1 \nATOM 1042 C CG . ARG A 1 140 ? 16.852 13.203 -0.493 1.00 38.69 ? 832 ARG A CG 1 \nATOM 1043 C CD . ARG A 1 140 ? 16.749 12.615 -1.901 1.00 44.66 ? 832 ARG A CD 1 \nATOM 1044 N NE . ARG A 1 140 ? 18.060 12.375 -2.490 1.00 43.81 ? 832 ARG A NE 1 \nATOM 1045 C CZ . ARG A 1 140 ? 18.292 12.142 -3.782 1.00 59.18 ? 832 ARG A CZ 1 \nATOM 1046 N NH1 . ARG A 1 140 ? 19.539 11.932 -4.198 1.00 65.97 ? 832 ARG A NH1 1 \nATOM 1047 N NH2 . ARG A 1 140 ? 17.295 12.120 -4.663 1.00 52.24 ? 832 ARG A NH2 1 \nATOM 1048 N N . LEU A 1 141 ? 17.972 17.251 2.186 1.00 27.81 ? 833 LEU A N 1 \nATOM 1049 C CA . LEU A 1 141 ? 18.510 18.577 2.418 1.00 34.21 ? 833 LEU A CA 1 \nATOM 1050 C C . LEU A 1 141 ? 19.449 18.523 3.624 1.00 34.74 ? 833 LEU A C 1 \nATOM 1051 O O . LEU A 1 141 ? 18.999 18.429 4.771 1.00 30.53 ? 833 LEU A O 1 \nATOM 1052 C CB . LEU A 1 141 ? 17.364 19.579 2.657 1.00 34.42 ? 833 LEU A CB 1 \nATOM 1053 C CG . LEU A 1 141 ? 17.613 21.095 2.539 1.00 38.35 ? 833 LEU A CG 1 \nATOM 1054 C CD1 . LEU A 1 141 ? 16.355 21.860 2.907 1.00 47.96 ? 833 LEU A CD1 1 \nATOM 1055 C CD2 . LEU A 1 141 ? 18.768 21.594 3.393 1.00 52.23 ? 833 LEU A CD2 1 \nATOM 1056 N N . VAL A 1 142 ? 20.755 18.551 3.363 1.00 26.72 ? 834 VAL A N 1 \nATOM 1057 C CA . VAL A 1 142 ? 21.728 18.644 4.437 1.00 25.51 ? 834 VAL A CA 1 \nATOM 1058 C C . VAL A 1 142 ? 21.700 20.057 5.048 1.00 23.33 ? 834 VAL A C 1 \nATOM 1059 O O . VAL A 1 142 ? 21.694 21.057 4.313 1.00 28.02 ? 834 VAL A O 1 \nATOM 1060 C CB . VAL A 1 142 ? 23.156 18.309 3.917 1.00 25.87 ? 834 VAL A CB 1 \nATOM 1061 C CG1 . VAL A 1 142 ? 24.100 18.192 5.115 1.00 23.90 ? 834 VAL A CG1 1 \nATOM 1062 C CG2 . VAL A 1 142 ? 23.119 16.992 3.141 1.00 28.31 ? 834 VAL A CG2 1 \nATOM 1063 N N . HIS A 1 143 ? 21.660 20.124 6.381 1.00 24.32 ? 835 HIS A N 1 \nATOM 1064 C CA . HIS A 1 143 ? 21.506 21.383 7.113 1.00 23.28 ? 835 HIS A CA 1 \nATOM 1065 C C . HIS A 1 143 ? 22.785 22.162 6.940 1.00 27.03 ? 835 HIS A C 1 \nATOM 1066 O O . HIS A 1 143 ? 22.813 23.290 6.411 1.00 26.76 ? 835 HIS A O 1 \nATOM 1067 C CB . HIS A 1 143 ? 21.277 21.097 8.607 1.00 22.96 ? 835 HIS A CB 1 \nATOM 1068 C CG . HIS A 1 143 ? 20.801 22.288 9.388 1.00 25.87 ? 835 HIS A CG 1 \nATOM 1069 N ND1 . HIS A 1 143 ? 21.552 23.426 9.550 1.00 25.72 ? 835 HIS A ND1 1 \nATOM 1070 C CD2 . HIS A 1 143 ? 19.625 22.522 10.030 1.00 29.70 ? 835 HIS A CD2 1 \nATOM 1071 C CE1 . HIS A 1 143 ? 20.875 24.313 10.264 1.00 26.78 ? 835 HIS A CE1 1 \nATOM 1072 N NE2 . HIS A 1 143 ? 19.701 23.783 10.576 1.00 27.19 ? 835 HIS A NE2 1 \nATOM 1073 N N . ARG A 1 144 ? 23.853 21.527 7.386 1.00 25.53 ? 836 ARG A N 1 \nATOM 1074 C CA . ARG A 1 144 ? 25.221 22.123 7.370 1.00 24.68 ? 836 ARG A CA 1 \nATOM 1075 C C . ARG A 1 144 ? 25.537 23.182 8.437 1.00 30.73 ? 836 ARG A C 1 \nATOM 1076 O O . ARG A 1 144 ? 26.695 23.623 8.533 1.00 31.37 ? 836 ARG A O 1 \nATOM 1077 C CB . ARG A 1 144 ? 25.601 22.653 5.966 1.00 29.95 ? 836 ARG A CB 1 \nATOM 1078 C CG . ARG A 1 144 ? 25.531 21.613 4.858 1.00 29.36 ? 836 ARG A CG 1 \nATOM 1079 C CD . ARG A 1 144 ? 25.842 22.225 3.503 1.00 35.72 ? 836 ARG A CD 1 \nATOM 1080 N NE . ARG A 1 144 ? 25.737 21.236 2.426 1.00 35.96 ? 836 ARG A NE 1 \nATOM 1081 C CZ . ARG A 1 144 ? 24.613 20.915 1.795 1.00 42.66 ? 836 ARG A CZ 1 \nATOM 1082 N NH1 . ARG A 1 144 ? 23.454 21.500 2.119 1.00 43.85 ? 836 ARG A NH1 1 \nATOM 1083 N NH2 . ARG A 1 144 ? 24.655 20.006 0.825 1.00 45.95 ? 836 ARG A NH2 1 \nATOM 1084 N N . ASP A 1 145 ? 24.564 23.573 9.252 1.00 28.01 ? 837 ASP A N 1 \nATOM 1085 C CA . ASP A 1 145 ? 24.814 24.539 10.330 1.00 30.26 ? 837 ASP A CA 1 \nATOM 1086 C C . ASP A 1 145 ? 23.893 24.288 11.553 1.00 24.80 ? 837 ASP A C 1 \nATOM 1087 O O . ASP A 1 145 ? 23.436 25.220 12.215 1.00 27.76 ? 837 ASP A O 1 \nATOM 1088 C CB . ASP A 1 145 ? 24.667 25.972 9.766 1.00 35.19 ? 837 ASP A CB 1 \nATOM 1089 C CG . ASP A 1 145 ? 25.123 27.070 10.730 1.00 39.72 ? 837 ASP A CG 1 \nATOM 1090 O OD1 . ASP A 1 145 ? 24.630 28.217 10.587 1.00 39.41 ? 837 ASP A OD1 1 \nATOM 1091 O OD2 . ASP A 1 145 ? 25.968 26.824 11.608 1.00 39.11 ? 837 ASP A OD2 1 \nATOM 1092 N N . LEU A 1 146 ? 23.664 23.019 11.894 1.00 22.90 ? 838 LEU A N 1 \nATOM 1093 C CA . LEU A 1 146 ? 22.936 22.738 13.109 1.00 26.01 ? 838 LEU A CA 1 \nATOM 1094 C C . LEU A 1 146 ? 23.734 23.109 14.359 1.00 31.57 ? 838 LEU A C 1 \nATOM 1095 O O . LEU A 1 146 ? 24.933 22.815 14.484 1.00 23.80 ? 838 LEU A O 1 \nATOM 1096 C CB . LEU A 1 146 ? 22.428 21.289 13.139 1.00 23.02 ? 838 LEU A CB 1 \nATOM 1097 C CG . LEU A 1 146 ? 21.594 20.979 14.380 1.00 21.58 ? 838 LEU A CG 1 \nATOM 1098 C CD1 . LEU A 1 146 ? 20.220 21.710 14.325 1.00 23.98 ? 838 LEU A CD1 1 \nATOM 1099 C CD2 . LEU A 1 146 ? 21.381 19.486 14.377 1.00 26.15 ? 838 LEU A CD2 1 \nATOM 1100 N N . ALA A 1 147 ? 23.056 23.809 15.260 1.00 25.46 ? 839 ALA A N 1 \nATOM 1101 C CA . ALA A 1 147 ? 23.624 24.344 16.489 1.00 26.75 ? 839 ALA A CA 1 \nATOM 1102 C C . ALA A 1 147 ? 22.450 24.802 17.349 1.00 26.96 ? 839 ALA A C 1 \nATOM 1103 O O . ALA A 1 147 ? 21.368 25.075 16.818 1.00 27.56 ? 839 ALA A O 1 \nATOM 1104 C CB . ALA A 1 147 ? 24.560 25.503 16.172 1.00 26.89 ? 839 ALA A CB 1 \nATOM 1105 N N . ALA A 1 148 ? 22.647 24.874 18.660 1.00 25.41 ? 840 ALA A N 1 \nATOM 1106 C CA . ALA A 1 148 ? 21.586 25.344 19.568 1.00 28.19 ? 840 ALA A CA 1 \nATOM 1107 C C . ALA A 1 148 ? 21.088 26.729 19.178 1.00 32.62 ? 840 ALA A C 1 \nATOM 1108 O O . ALA A 1 148 ? 19.888 27.022 19.337 1.00 26.09 ? 840 ALA A O 1 \nATOM 1109 C CB . ALA A 1 148 ? 22.036 25.315 21.015 1.00 31.55 ? 840 ALA A CB 1 \nATOM 1110 N N . ARG A 1 149 ? 21.988 27.573 18.667 1.00 26.53 ? 841 ARG A N 1 \nATOM 1111 C CA . ARG A 1 149 ? 21.564 28.878 18.116 1.00 33.68 ? 841 ARG A CA 1 \nATOM 1112 C C . ARG A 1 149 ? 20.540 28.815 16.971 1.00 29.87 ? 841 ARG A C 1 \nATOM 1113 O O . ARG A 1 149 ? 19.785 29.780 16.780 1.00 30.30 ? 841 ARG A O 1 \nATOM 1114 C CB . ARG A 1 149 ? 22.764 29.723 17.692 1.00 28.34 ? 841 ARG A CB 1 \nATOM 1115 C CG . ARG A 1 149 ? 23.404 29.295 16.373 1.00 26.85 ? 841 ARG A CG 1 \nATOM 1116 C CD . ARG A 1 149 ? 24.776 29.947 16.162 1.00 29.53 ? 841 ARG A CD 1 \nATOM 1117 N NE . ARG A 1 149 ? 25.422 29.243 15.073 1.00 31.29 ? 841 ARG A NE 1 \nATOM 1118 C CZ . ARG A 1 149 ? 26.341 28.302 15.254 1.00 39.55 ? 841 ARG A CZ 1 \nATOM 1119 N NH1 . ARG A 1 149 ? 26.771 28.031 16.482 1.00 34.98 ? 841 ARG A NH1 1 \nATOM 1120 N NH2 . ARG A 1 149 ? 26.851 27.654 14.208 1.00 34.16 ? 841 ARG A NH2 1 \nATOM 1121 N N . ASN A 1 150 ? 20.510 27.690 16.239 1.00 27.08 ? 842 ASN A N 1 \nATOM 1122 C CA . ASN A 1 150 ? 19.637 27.487 15.083 1.00 30.03 ? 842 ASN A CA 1 \nATOM 1123 C C . ASN A 1 150 ? 18.422 26.601 15.370 1.00 24.67 ? 842 ASN A C 1 \nATOM 1124 O O . ASN A 1 150 ? 17.845 25.978 14.469 1.00 27.99 ? 842 ASN A O 1 \nATOM 1125 C CB . ASN A 1 150 ? 20.435 27.010 13.873 1.00 29.06 ? 842 ASN A CB 1 \nATOM 1126 C CG . ASN A 1 150 ? 21.262 28.134 13.254 1.00 37.72 ? 842 ASN A CG 1 \nATOM 1127 O OD1 . ASN A 1 150 ? 20.864 29.305 13.306 1.00 30.50 ? 842 ASN A OD1 1 \nATOM 1128 N ND2 . ASN A 1 150 ? 22.422 27.794 12.679 1.00 29.81 ? 842 ASN A ND2 1 \nATOM 1129 N N . VAL A 1 151 ? 18.136 26.486 16.658 1.00 23.76 ? 843 VAL A N 1 \nATOM 1130 C CA . VAL A 1 151 ? 16.903 25.867 17.159 1.00 30.91 ? 843 VAL A CA 1 \nATOM 1131 C C . VAL A 1 151 ? 16.114 26.985 17.836 1.00 31.47 ? 843 VAL A C 1 \nATOM 1132 O O . VAL A 1 151 ? 16.638 27.662 18.721 1.00 31.89 ? 843 VAL A O 1 \nATOM 1133 C CB . VAL A 1 151 ? 17.212 24.725 18.140 1.00 27.97 ? 843 VAL A CB 1 \nATOM 1134 C CG1 . VAL A 1 151 ? 15.915 24.065 18.619 1.00 27.30 ? 843 VAL A CG1 1 \nATOM 1135 C CG2 . VAL A 1 151 ? 18.140 23.693 17.466 1.00 24.18 ? 843 VAL A CG2 1 \nATOM 1136 N N . LEU A 1 152 ? 14.852 27.149 17.445 1.00 31.01 ? 844 LEU A N 1 \nATOM 1137 C CA . LEU A 1 152 ? 14.016 28.272 17.951 1.00 28.78 ? 844 LEU A CA 1 \nATOM 1138 C C . LEU A 1 152 ? 12.878 27.747 18.798 1.00 31.95 ? 844 LEU A C 1 \nATOM 1139 O O . LEU A 1 152 ? 12.356 26.667 18.531 1.00 29.93 ? 844 LEU A O 1 \nATOM 1140 C CB . LEU A 1 152 ? 13.463 29.114 16.782 1.00 31.04 ? 844 LEU A CB 1 \nATOM 1141 C CG . LEU A 1 152 ? 14.521 29.764 15.877 1.00 31.25 ? 844 LEU A CG 1 \nATOM 1142 C CD1 . LEU A 1 152 ? 13.961 30.700 14.816 1.00 33.04 ? 844 LEU A CD1 1 \nATOM 1143 C CD2 . LEU A 1 152 ? 15.550 30.506 16.706 1.00 35.54 ? 844 LEU A CD2 1 \nATOM 1144 N N . VAL A 1 153 ? 12.508 28.516 19.819 1.00 33.45 ? 845 VAL A N 1 \nATOM 1145 C CA . VAL A 1 153 ? 11.410 28.169 20.722 1.00 37.40 ? 845 VAL A CA 1 \nATOM 1146 C C . VAL A 1 153 ? 10.050 28.660 20.197 1.00 39.79 ? 845 VAL A C 1 \nATOM 1147 O O . VAL A 1 153 ? 9.791 29.864 20.151 1.00 40.55 ? 845 VAL A O 1 \nATOM 1148 C CB . VAL A 1 153 ? 11.706 28.704 22.144 1.00 37.90 ? 845 VAL A CB 1 \nATOM 1149 C CG1 . VAL A 1 153 ? 10.598 28.332 23.123 1.00 34.42 ? 845 VAL A CG1 1 \nATOM 1150 C CG2 . VAL A 1 153 ? 13.046 28.162 22.639 1.00 34.23 ? 845 VAL A CG2 1 \nATOM 1151 N N . LYS A 1 154 ? 9.193 27.725 19.786 1.00 36.10 ? 846 LYS A N 1 \nATOM 1152 C CA . LYS A 1 154 ? 7.792 28.043 19.467 1.00 43.58 ? 846 LYS A CA 1 \nATOM 1153 C C . LYS A 1 154 ? 7.040 28.141 20.792 1.00 38.19 ? 846 LYS A C 1 \nATOM 1154 O O . LYS A 1 154 ? 6.412 29.158 21.072 1.00 44.16 ? 846 LYS A O 1 \nATOM 1155 C CB . LYS A 1 154 ? 7.146 27.007 18.536 1.00 37.43 ? 846 LYS A CB 1 \nATOM 1156 C CG . LYS A 1 154 ? 5.735 27.380 18.068 1.00 51.46 ? 846 LYS A CG 1 \nATOM 1157 C CD . LYS A 1 154 ? 5.003 26.147 17.561 1.00 57.04 ? 846 LYS A CD 1 \nATOM 1158 C CE . LYS A 1 154 ? 4.089 26.461 16.386 1.00 75.97 ? 846 LYS A CE 1 \nATOM 1159 N NZ . LYS A 1 154 ? 2.821 27.114 16.809 1.00 61.01 ? 846 LYS A NZ 1 \nATOM 1160 N N . THR A 1 155 ? 7.130 27.085 21.599 1.00 36.95 ? 847 THR A N 1 \nATOM 1161 C CA . THR A 1 155 ? 6.734 27.118 23.010 1.00 39.96 ? 847 THR A CA 1 \nATOM 1162 C C . THR A 1 155 ? 7.791 26.344 23.785 1.00 49.25 ? 847 THR A C 1 \nATOM 1163 O O . THR A 1 155 ? 8.513 25.553 23.189 1.00 46.91 ? 847 THR A O 1 \nATOM 1164 C CB . THR A 1 155 ? 5.344 26.477 23.270 1.00 42.03 ? 847 THR A CB 1 \nATOM 1165 O OG1 . THR A 1 155 ? 5.416 25.049 23.139 1.00 40.28 ? 847 THR A OG1 1 \nATOM 1166 C CG2 . THR A 1 155 ? 4.263 27.039 22.331 1.00 47.29 ? 847 THR A CG2 1 \nATOM 1167 N N . PRO A 1 156 ? 7.901 26.572 25.111 1.00 47.74 ? 848 PRO A N 1 \nATOM 1168 C CA . PRO A 1 156 ? 8.844 25.778 25.902 1.00 44.52 ? 848 PRO A CA 1 \nATOM 1169 C C . PRO A 1 156 ? 8.762 24.277 25.619 1.00 44.91 ? 848 PRO A C 1 \nATOM 1170 O O . PRO A 1 156 ? 9.757 23.575 25.766 1.00 45.92 ? 848 PRO A O 1 \nATOM 1171 C CB . PRO A 1 156 ? 8.410 26.061 27.339 1.00 47.17 ? 848 PRO A CB 1 \nATOM 1172 C CG . PRO A 1 156 ? 7.836 27.433 27.296 1.00 54.20 ? 848 PRO A CG 1 \nATOM 1173 C CD . PRO A 1 156 ? 7.324 27.679 25.899 1.00 53.60 ? 848 PRO A CD 1 \nATOM 1174 N N . GLN A 1 157 ? 7.596 23.779 25.211 1.00 43.27 ? 849 GLN A N 1 \nATOM 1175 C CA . GLN A 1 157 ? 7.475 22.347 24.901 1.00 42.19 ? 849 GLN A CA 1 \nATOM 1176 C C . GLN A 1 157 ? 7.481 22.009 23.389 1.00 42.64 ? 849 GLN A C 1 \nATOM 1177 O O . GLN A 1 157 ? 7.190 20.866 23.001 1.00 45.37 ? 849 GLN A O 1 \nATOM 1178 C CB . GLN A 1 157 ? 6.267 21.718 25.627 1.00 58.29 ? 849 GLN A CB 1 \nATOM 1179 C CG . GLN A 1 157 ? 4.961 22.504 25.555 1.00 66.43 ? 849 GLN A CG 1 \nATOM 1180 C CD . GLN A 1 157 ? 4.884 23.642 26.570 1.00 62.36 ? 849 GLN A CD 1 \nATOM 1181 O OE1 . GLN A 1 157 ? 4.609 24.782 26.211 1.00 63.71 ? 849 GLN A OE1 1 \nATOM 1182 N NE2 . GLN A 1 157 ? 5.141 23.334 27.838 1.00 63.07 ? 849 GLN A NE2 1 \nATOM 1183 N N . HIS A 1 158 ? 7.806 22.998 22.549 1.00 43.34 ? 850 HIS A N 1 \nATOM 1184 C CA . HIS A 1 158 ? 7.827 22.837 21.080 1.00 36.09 ? 850 HIS A CA 1 \nATOM 1185 C C . HIS A 1 158 ? 8.939 23.707 20.451 1.00 35.72 ? 850 HIS A C 1 \nATOM 1186 O O . HIS A 1 158 ? 8.834 24.935 20.398 1.00 38.30 ? 850 HIS A O 1 \nATOM 1187 C CB . HIS A 1 158 ? 6.465 23.232 20.495 1.00 47.52 ? 850 HIS A CB 1 \nATOM 1188 C CG . HIS A 1 158 ? 6.285 22.897 19.044 1.00 56.05 ? 850 HIS A CG 1 \nATOM 1189 N ND1 . HIS A 1 158 ? 5.061 22.545 18.513 1.00 67.56 ? 850 HIS A ND1 1 \nATOM 1190 C CD2 . HIS A 1 158 ? 7.165 22.862 18.013 1.00 46.60 ? 850 HIS A CD2 1 \nATOM 1191 C CE1 . HIS A 1 158 ? 5.195 22.314 17.219 1.00 61.32 ? 850 HIS A CE1 1 \nATOM 1192 N NE2 . HIS A 1 158 ? 6.461 22.497 16.891 1.00 50.10 ? 850 HIS A NE2 1 \nATOM 1193 N N . VAL A 1 159 ? 9.997 23.065 19.957 1.00 30.62 ? 851 VAL A N 1 \nATOM 1194 C CA . VAL A 1 159 ? 11.119 23.801 19.316 1.00 27.66 ? 851 VAL A CA 1 \nATOM 1195 C C . VAL A 1 159 ? 11.258 23.414 17.837 1.00 29.34 ? 851 VAL A C 1 \nATOM 1196 O O . VAL A 1 159 ? 10.790 22.339 17.409 1.00 37.31 ? 851 VAL A O 1 \nATOM 1197 C CB . VAL A 1 159 ? 12.459 23.615 20.093 1.00 27.08 ? 851 VAL A CB 1 \nATOM 1198 C CG1 . VAL A 1 159 ? 12.320 24.093 21.527 1.00 28.71 ? 851 VAL A CG1 1 \nATOM 1199 C CG2 . VAL A 1 159 ? 12.917 22.166 20.074 1.00 29.61 ? 851 VAL A CG2 1 \nATOM 1200 N N . LYS A 1 160 ? 11.848 24.295 17.049 1.00 25.66 ? 852 LYS A N 1 \nATOM 1201 C CA . LYS A 1 160 ? 11.927 24.130 15.593 1.00 29.99 ? 852 LYS A CA 1 \nATOM 1202 C C . LYS A 1 160 ? 13.322 24.502 15.084 1.00 31.41 ? 852 LYS A C 1 \nATOM 1203 O O . LYS A 1 160 ? 13.919 25.461 15.577 1.00 32.82 ? 852 LYS A O 1 \nATOM 1204 C CB . LYS A 1 160 ? 10.930 25.045 14.883 1.00 29.63 ? 852 LYS A CB 1 \nATOM 1205 C CG . LYS A 1 160 ? 9.481 24.848 15.301 1.00 35.70 ? 852 LYS A CG 1 \nATOM 1206 C CD . LYS A 1 160 ? 8.547 25.799 14.559 1.00 39.50 ? 852 LYS A CD 1 \nATOM 1207 C CE . LYS A 1 160 ? 8.240 25.299 13.156 1.00 45.39 ? 852 LYS A CE 1 \nATOM 1208 N NZ . LYS A 1 160 ? 7.134 26.073 12.523 1.00 54.24 ? 852 LYS A NZ 1 \nATOM 1209 N N . ILE A 1 161 ? 13.787 23.781 14.065 1.00 27.56 ? 853 ILE A N 1 \nATOM 1210 C CA . ILE A 1 161 ? 15.114 24.014 13.466 1.00 30.12 ? 853 ILE A CA 1 \nATOM 1211 C C . ILE A 1 161 ? 15.005 25.045 12.339 1.00 31.59 ? 853 ILE A C 1 \nATOM 1212 O O . ILE A 1 161 ? 14.017 25.067 11.596 1.00 31.70 ? 853 ILE A O 1 \nATOM 1213 C CB . ILE A 1 161 ? 15.695 22.700 12.885 1.00 25.76 ? 853 ILE A CB 1 \nATOM 1214 C CG1 . ILE A 1 161 ? 15.805 21.647 13.983 1.00 26.76 ? 853 ILE A CG1 1 \nATOM 1215 C CG2 . ILE A 1 161 ? 17.031 22.964 12.191 1.00 32.39 ? 853 ILE A CG2 1 \nATOM 1216 C CD1 . ILE A 1 161 ? 15.788 20.251 13.420 1.00 36.59 ? 853 ILE A CD1 1 \nATOM 1217 N N . THR A 1 162 ? 16.008 25.909 12.237 1.00 25.25 ? 854 THR A N 1 \nATOM 1218 C CA . THR A 1 162 ? 16.073 26.896 11.179 1.00 27.24 ? 854 THR A CA 1 \nATOM 1219 C C . THR A 1 162 ? 17.503 26.936 10.582 1.00 28.06 ? 854 THR A C 1 \nATOM 1220 O O . THR A 1 162 ? 18.380 26.227 11.069 1.00 31.74 ? 854 THR A O 1 \nATOM 1221 C CB . THR A 1 162 ? 15.656 28.302 11.705 1.00 24.66 ? 854 THR A CB 1 \nATOM 1222 O OG1 . THR A 1 162 ? 15.473 29.166 10.579 1.00 25.50 ? 854 THR A OG1 1 \nATOM 1223 C CG2 . THR A 1 162 ? 16.714 28.916 12.649 1.00 28.04 ? 854 THR A CG2 1 \nATOM 1224 N N . ASP A 1 163 ? 17.692 27.727 9.517 1.00 26.22 ? 855 ASP A N 1 \nATOM 1225 C CA . ASP A 1 163 ? 19.025 28.078 8.949 1.00 33.58 ? 855 ASP A CA 1 \nATOM 1226 C C . ASP A 1 163 ? 19.662 26.928 8.139 1.00 27.70 ? 855 ASP A C 1 \nATOM 1227 O O . ASP A 1 163 ? 20.866 26.952 7.856 1.00 41.67 ? 855 ASP A O 1 \nATOM 1228 C CB . ASP A 1 163 ? 19.977 28.578 10.059 1.00 34.40 ? 855 ASP A CB 1 \nATOM 1229 C CG . ASP A 1 163 ? 20.915 29.702 9.592 1.00 43.40 ? 855 ASP A CG 1 \nATOM 1230 O OD1 . ASP A 1 163 ? 20.500 30.546 8.761 1.00 40.77 ? 855 ASP A OD1 1 \nATOM 1231 O OD2 . ASP A 1 163 ? 22.072 29.765 10.083 1.00 42.67 ? 855 ASP A OD2 1 \nATOM 1232 N N . PHE A 1 164 ? 18.848 25.931 7.775 1.00 31.84 ? 856 PHE A N 1 \nATOM 1233 C CA . PHE A 1 164 ? 19.295 24.768 6.988 1.00 27.77 ? 856 PHE A CA 1 \nATOM 1234 C C . PHE A 1 164 ? 19.514 25.134 5.526 1.00 38.25 ? 856 PHE A C 1 \nATOM 1235 O O . PHE A 1 164 ? 18.707 25.862 4.918 1.00 35.00 ? 856 PHE A O 1 \nATOM 1236 C CB . PHE A 1 164 ? 18.299 23.609 7.116 1.00 31.72 ? 856 PHE A CB 1 \nATOM 1237 C CG . PHE A 1 164 ? 16.859 24.013 6.902 1.00 37.42 ? 856 PHE A CG 1 \nATOM 1238 C CD1 . PHE A 1 164 ? 16.058 24.398 7.982 1.00 39.39 ? 856 PHE A CD1 1 \nATOM 1239 C CD2 . PHE A 1 164 ? 16.313 24.012 5.628 1.00 35.12 ? 856 PHE A CD2 1 \nATOM 1240 C CE1 . PHE A 1 164 ? 14.722 24.772 7.786 1.00 33.38 ? 856 PHE A CE1 1 \nATOM 1241 C CE2 . PHE A 1 164 ? 14.977 24.374 5.431 1.00 41.41 ? 856 PHE A CE2 1 \nATOM 1242 C CZ . PHE A 1 164 ? 14.198 24.755 6.510 1.00 31.08 ? 856 PHE A CZ 1 \nATOM 1243 N N . GLY A 1 165 ? 20.622 24.655 4.960 1.00 31.90 ? 857 GLY A N 1 \nATOM 1244 C CA . GLY A 1 165 ? 20.859 24.804 3.519 1.00 31.25 ? 857 GLY A CA 1 \nATOM 1245 C C . GLY A 1 165 ? 21.491 26.110 3.089 1.00 35.22 ? 857 GLY A C 1 \nATOM 1246 O O . GLY A 1 165 ? 21.668 26.359 1.897 1.00 36.36 ? 857 GLY A O 1 \nATOM 1247 N N . LEU A 1 166 ? 21.834 26.959 4.051 1.00 36.41 ? 858 LEU A N 1 \nATOM 1248 C CA . LEU A 1 166 ? 22.374 28.251 3.733 1.00 33.90 ? 858 LEU A CA 1 \nATOM 1249 C C . LEU A 1 166 ? 23.850 28.082 3.359 1.00 36.55 ? 858 LEU A C 1 \nATOM 1250 O O . LEU A 1 166 ? 24.343 28.746 2.449 1.00 35.70 ? 858 LEU A O 1 \nATOM 1251 C CB . LEU A 1 166 ? 22.223 29.193 4.931 1.00 41.10 ? 858 LEU A CB 1 \nATOM 1252 C CG . LEU A 1 166 ? 22.171 30.700 4.704 1.00 43.83 ? 858 LEU A CG 1 \nATOM 1253 C CD1 . LEU A 1 166 ? 21.064 31.083 3.723 1.00 46.99 ? 858 LEU A CD1 1 \nATOM 1254 C CD2 . LEU A 1 166 ? 21.948 31.375 6.046 1.00 35.64 ? 858 LEU A CD2 1 \nATOM 1255 N N . ALA A 1 167 ? 24.532 27.169 4.052 1.00 35.60 ? 859 ALA A N 1 \nATOM 1256 C CA . ALA A 1 167 ? 25.942 26.925 3.767 1.00 37.84 ? 859 ALA A CA 1 \nATOM 1257 C C . ALA A 1 167 ? 26.099 26.444 2.330 1.00 40.12 ? 859 ALA A C 1 \nATOM 1258 O O . ALA A 1 167 ? 27.072 26.801 1.659 1.00 37.50 ? 859 ALA A O 1 \nATOM 1259 C CB . ALA A 1 167 ? 26.545 25.930 4.746 1.00 34.95 ? 859 ALA A CB 1 \nATOM 1260 N N . LYS A 1 168 ? 25.133 25.648 1.851 1.00 35.37 ? 860 LYS A N 1 \nATOM 1261 C CA . LYS A 1 168 ? 25.130 25.217 0.457 1.00 40.64 ? 860 LYS A CA 1 \nATOM 1262 C C . LYS A 1 168 ? 24.865 26.396 -0.464 1.00 37.43 ? 860 LYS A C 1 \nATOM 1263 O O . LYS A 1 168 ? 25.539 26.565 -1.475 1.00 43.25 ? 860 LYS A O 1 \nATOM 1264 C CB . LYS A 1 168 ? 24.093 24.118 0.194 1.00 47.18 ? 860 LYS A CB 1 \nATOM 1265 C CG . LYS A 1 168 ? 23.823 23.875 -1.292 1.00 52.81 ? 860 LYS A CG 1 \nATOM 1266 C CD . LYS A 1 168 ? 23.407 22.442 -1.573 1.00 54.14 ? 860 LYS A CD 1 \nATOM 1267 C CE . LYS A 1 168 ? 23.585 22.101 -3.044 1.00 65.94 ? 860 LYS A CE 1 \nATOM 1268 N NZ . LYS A 1 168 ? 23.618 20.628 -3.255 1.00 73.01 ? 860 LYS A NZ 1 \nATOM 1269 N N . LEU A 1 169 ? 23.869 27.198 -0.120 1.00 35.22 ? 861 LEU A N 1 \nATOM 1270 C CA . LEU A 1 169 ? 23.469 28.302 -0.989 1.00 42.52 ? 861 LEU A CA 1 \nATOM 1271 C C . LEU A 1 169 ? 24.635 29.262 -1.217 1.00 43.31 ? 861 LEU A C 1 \nATOM 1272 O O . LEU A 1 169 ? 24.785 29.824 -2.307 1.00 42.59 ? 861 LEU A O 1 \nATOM 1273 C CB . LEU A 1 169 ? 22.281 29.042 -0.379 1.00 45.30 ? 861 LEU A CB 1 \nATOM 1274 C CG . LEU A 1 169 ? 21.724 30.283 -1.079 1.00 60.80 ? 861 LEU A CG 1 \nATOM 1275 C CD1 . LEU A 1 169 ? 21.344 29.986 -2.523 1.00 74.68 ? 861 LEU A CD1 1 \nATOM 1276 C CD2 . LEU A 1 169 ? 20.527 30.808 -0.297 1.00 46.66 ? 861 LEU A CD2 1 \nATOM 1277 N N . LEU A 1 170 ? 25.458 29.422 -0.184 1.00 43.61 ? 862 LEU A N 1 \nATOM 1278 C CA . LEU A 1 170 ? 26.554 30.390 -0.192 1.00 47.31 ? 862 LEU A CA 1 \nATOM 1279 C C . LEU A 1 170 ? 27.869 29.821 -0.747 1.00 48.26 ? 862 LEU A C 1 \nATOM 1280 O O . LEU A 1 170 ? 28.882 30.523 -0.807 1.00 49.35 ? 862 LEU A O 1 \nATOM 1281 C CB . LEU A 1 170 ? 26.749 30.970 1.218 1.00 45.15 ? 862 LEU A CB 1 \nATOM 1282 C CG . LEU A 1 170 ? 25.676 31.944 1.740 1.00 45.97 ? 862 LEU A CG 1 \nATOM 1283 C CD1 . LEU A 1 170 ? 25.961 32.300 3.191 1.00 48.31 ? 862 LEU A CD1 1 \nATOM 1284 C CD2 . LEU A 1 170 ? 25.608 33.210 0.888 1.00 47.47 ? 862 LEU A CD2 1 \nATOM 1285 N N . GLY A 1 171 ? 27.853 28.549 -1.142 1.00 49.38 ? 863 GLY A N 1 \nATOM 1286 C CA . GLY A 1 171 ? 29.018 27.916 -1.781 1.00 45.16 ? 863 GLY A CA 1 \nATOM 1287 C C . GLY A 1 171 ? 30.128 27.447 -0.847 1.00 39.80 ? 863 GLY A C 1 \nATOM 1288 O O . GLY A 1 171 ? 31.286 27.311 -1.271 1.00 50.15 ? 863 GLY A O 1 \nATOM 1289 N N . ALA A 1 172 ? 29.787 27.166 0.413 1.00 40.85 ? 864 ALA A N 1 \nATOM 1290 C CA . ALA A 1 172 ? 30.789 26.748 1.398 1.00 42.57 ? 864 ALA A CA 1 \nATOM 1291 C C . ALA A 1 172 ? 31.329 25.336 1.148 1.00 38.79 ? 864 ALA A C 1 \nATOM 1292 O O . ALA A 1 172 ? 32.211 24.884 1.866 1.00 42.81 ? 864 ALA A O 1 \nATOM 1293 C CB . ALA A 1 172 ? 30.257 26.864 2.811 1.00 41.45 ? 864 ALA A CB 1 \nATOM 1294 N N . GLU A 1 173 ? 30.779 24.650 0.148 1.00 36.82 ? 865 GLU A N 1 \nATOM 1295 C CA . GLU A 1 173 ? 31.281 23.322 -0.252 1.00 44.30 ? 865 GLU A CA 1 \nATOM 1296 C C . GLU A 1 173 ? 32.377 23.443 -1.311 1.00 47.98 ? 865 GLU A C 1 \nATOM 1297 O O . GLU A 1 173 ? 32.982 22.444 -1.707 1.00 40.23 ? 865 GLU A O 1 \nATOM 1298 C CB . GLU A 1 173 ? 30.145 22.407 -0.761 1.00 41.00 ? 865 GLU A CB 1 \nATOM 1299 C CG . GLU A 1 173 ? 29.020 22.190 0.244 1.00 53.30 ? 865 GLU A CG 1 \nATOM 1300 C CD . GLU A 1 173 ? 28.086 21.053 -0.137 1.00 66.21 ? 865 GLU A CD 1 \nATOM 1301 O OE1 . GLU A 1 173 ? 27.442 20.512 0.782 1.00 56.09 ? 865 GLU A OE1 1 \nATOM 1302 O OE2 . GLU A 1 173 ? 27.997 20.692 -1.337 1.00 63.67 ? 865 GLU A OE2 1 \nATOM 1303 N N . GLU A 1 174 ? 32.612 24.670 -1.770 1.00 47.17 ? 866 GLU A N 1 \nATOM 1304 C CA . GLU A 1 174 ? 33.608 24.955 -2.807 1.00 46.40 ? 866 GLU A CA 1 \nATOM 1305 C C . GLU A 1 174 ? 34.700 25.832 -2.210 1.00 40.98 ? 866 GLU A C 1 \nATOM 1306 O O . GLU A 1 174 ? 34.497 26.450 -1.164 1.00 38.94 ? 866 GLU A O 1 \nATOM 1307 C CB . GLU A 1 174 ? 32.956 25.644 -4.019 1.00 46.22 ? 866 GLU A CB 1 \nATOM 1308 C CG . GLU A 1 174 ? 32.102 24.730 -4.897 1.00 54.50 ? 866 GLU A CG 1 \nATOM 1309 C CD . GLU A 1 174 ? 30.714 24.468 -4.337 1.00 68.80 ? 866 GLU A CD 1 \nATOM 1310 O OE1 . GLU A 1 174 ? 30.121 23.425 -4.688 1.00 79.63 ? 866 GLU A OE1 1 \nATOM 1311 O OE2 . GLU A 1 174 ? 30.206 25.299 -3.553 1.00 68.10 ? 866 GLU A OE2 1 \nATOM 1312 N N . LYS A 1 175 ? 35.854 25.893 -2.877 1.00 37.24 ? 867 LYS A N 1 \nATOM 1313 C CA . LYS A 1 175 ? 37.036 26.539 -2.313 1.00 47.53 ? 867 LYS A CA 1 \nATOM 1314 C C . LYS A 1 175 ? 36.911 28.067 -2.320 1.00 42.85 ? 867 LYS A C 1 \nATOM 1315 O O . LYS A 1 175 ? 37.482 28.740 -1.459 1.00 40.83 ? 867 LYS A O 1 \nATOM 1316 C CB . LYS A 1 175 ? 38.325 26.074 -3.037 1.00 37.61 ? 867 LYS A CB 1 \nATOM 1317 C CG . LYS A 1 175 ? 38.432 26.433 -4.517 1.00 41.83 ? 867 LYS A CG 1 \nATOM 1318 C CD . LYS A 1 175 ? 39.175 25.359 -5.323 1.00 39.74 ? 867 LYS A CD 1 \nATOM 1319 C CE . LYS A 1 175 ? 38.867 25.438 -6.819 1.00 39.65 ? 867 LYS A CE 1 \nATOM 1320 N NZ . LYS A 1 175 ? 37.395 25.435 -7.144 1.00 43.75 ? 867 LYS A NZ 1 \nATOM 1321 N N . GLU A 1 176 ? 36.150 28.584 -3.288 1.00 40.06 ? 868 GLU A N 1 \nATOM 1322 C CA . GLU A 1 176 ? 36.053 30.019 -3.559 1.00 46.64 ? 868 GLU A CA 1 \nATOM 1323 C C . GLU A 1 176 ? 35.553 30.809 -2.344 1.00 48.10 ? 868 GLU A C 1 \nATOM 1324 O O . GLU A 1 176 ? 36.168 31.809 -1.964 1.00 42.32 ? 868 GLU A O 1 \nATOM 1325 C CB . GLU A 1 176 ? 35.192 30.281 -4.806 1.00 51.74 ? 868 GLU A CB 1 \nATOM 1326 C CG . GLU A 1 176 ? 35.891 29.990 -6.136 1.00 53.17 ? 868 GLU A CG 1 \nATOM 1327 C CD . GLU A 1 176 ? 35.976 28.505 -6.493 1.00 55.69 ? 868 GLU A CD 1 \nATOM 1328 O OE1 . GLU A 1 176 ? 35.179 27.686 -5.971 1.00 42.46 ? 868 GLU A OE1 1 \nATOM 1329 O OE2 . GLU A 1 176 ? 36.850 28.153 -7.324 1.00 48.42 ? 868 GLU A OE2 1 \nATOM 1330 N N . TYR A 1 177 ? 34.454 30.346 -1.739 1.00 45.27 ? 869 TYR A N 1 \nATOM 1331 C CA . TYR A 1 177 ? 33.932 30.900 -0.471 1.00 44.49 ? 869 TYR A CA 1 \nATOM 1332 C C . TYR A 1 177 ? 35.024 31.102 0.592 1.00 48.57 ? 869 TYR A C 1 \nATOM 1333 O O . TYR A 1 177 ? 35.104 32.164 1.215 1.00 44.29 ? 869 TYR A O 1 \nATOM 1334 C CB . TYR A 1 177 ? 32.801 29.997 0.082 1.00 48.00 ? 869 TYR A CB 1 \nATOM 1335 C CG . TYR A 1 177 ? 32.241 30.446 1.420 1.00 43.34 ? 869 TYR A CG 1 \nATOM 1336 C CD1 . TYR A 1 177 ? 32.588 29.791 2.597 1.00 37.95 ? 869 TYR A CD1 1 \nATOM 1337 C CD2 . TYR A 1 177 ? 31.372 31.544 1.509 1.00 44.45 ? 869 TYR A CD2 1 \nATOM 1338 C CE1 . TYR A 1 177 ? 32.083 30.202 3.827 1.00 37.47 ? 869 TYR A CE1 1 \nATOM 1339 C CE2 . TYR A 1 177 ? 30.878 31.968 2.739 1.00 42.96 ? 869 TYR A CE2 1 \nATOM 1340 C CZ . TYR A 1 177 ? 31.234 31.291 3.891 1.00 42.37 ? 869 TYR A CZ 1 \nATOM 1341 O OH . TYR A 1 177 ? 30.756 31.702 5.118 1.00 42.81 ? 869 TYR A OH 1 \nATOM 1342 N N . HIS A 1 178 ? 35.870 30.090 0.777 1.00 42.45 ? 870 HIS A N 1 \nATOM 1343 C CA . HIS A 1 178 ? 36.910 30.105 1.819 1.00 39.96 ? 870 HIS A CA 1 \nATOM 1344 C C . HIS A 1 178 ? 38.101 30.984 1.432 1.00 48.03 ? 870 HIS A C 1 \nATOM 1345 O O . HIS A 1 178 ? 38.716 31.644 2.285 1.00 44.35 ? 870 HIS A O 1 \nATOM 1346 C CB . HIS A 1 178 ? 37.352 28.671 2.130 1.00 43.61 ? 870 HIS A CB 1 \nATOM 1347 C CG . HIS A 1 178 ? 36.249 27.816 2.689 1.00 45.24 ? 870 HIS A CG 1 \nATOM 1348 N ND1 . HIS A 1 178 ? 35.330 27.165 1.891 1.00 48.50 ? 870 HIS A ND1 1 \nATOM 1349 C CD2 . HIS A 1 178 ? 35.909 27.525 3.966 1.00 41.55 ? 870 HIS A CD2 1 \nATOM 1350 C CE1 . HIS A 1 178 ? 34.478 26.501 2.653 1.00 40.12 ? 870 HIS A CE1 1 \nATOM 1351 N NE2 . HIS A 1 178 ? 34.803 26.708 3.917 1.00 54.39 ? 870 HIS A NE2 1 \nATOM 1352 N N . ALA A 1 179 ? 38.424 30.987 0.142 1.00 48.53 ? 871 ALA A N 1 \nATOM 1353 C CA . ALA A 1 179 ? 39.483 31.851 -0.386 1.00 52.92 ? 871 ALA A CA 1 \nATOM 1354 C C . ALA A 1 179 ? 39.090 33.330 -0.289 1.00 57.64 ? 871 ALA A C 1 \nATOM 1355 O O . ALA A 1 179 ? 39.955 34.191 -0.122 1.00 49.04 ? 871 ALA A O 1 \nATOM 1356 C CB . ALA A 1 179 ? 39.812 31.468 -1.828 1.00 50.28 ? 871 ALA A CB 1 \nATOM 1357 N N . GLU A 1 180 ? 37.784 33.610 -0.363 1.00 52.01 ? 872 GLU A N 1 \nATOM 1358 C CA . GLU A 1 180 ? 37.262 34.982 -0.336 1.00 56.03 ? 872 GLU A CA 1 \nATOM 1359 C C . GLU A 1 180 ? 36.943 35.500 1.077 1.00 59.17 ? 872 GLU A C 1 \nATOM 1360 O O . GLU A 1 180 ? 36.239 36.500 1.231 1.00 61.85 ? 872 GLU A O 1 \nATOM 1361 C CB . GLU A 1 180 ? 36.029 35.099 -1.244 1.00 68.02 ? 872 GLU A CB 1 \nATOM 1362 C CG . GLU A 1 180 ? 36.346 35.099 -2.734 1.00 77.21 ? 872 GLU A CG 1 \nATOM 1363 C CD . GLU A 1 180 ? 35.157 34.711 -3.601 1.00 97.81 ? 872 GLU A CD 1 \nATOM 1364 O OE1 . GLU A 1 180 ? 34.010 35.092 -3.275 1.00 102.61 ? 872 GLU A OE1 1 \nATOM 1365 O OE2 . GLU A 1 180 ? 35.372 34.023 -4.622 1.00 97.00 ? 872 GLU A OE2 1 \nATOM 1366 N N . GLY A 1 181 ? 37.469 34.823 2.098 1.00 58.69 ? 873 GLY A N 1 \nATOM 1367 C CA . GLY A 1 181 ? 37.326 35.262 3.487 1.00 54.40 ? 873 GLY A CA 1 \nATOM 1368 C C . GLY A 1 181 ? 36.155 34.670 4.258 1.00 44.99 ? 873 GLY A C 1 \nATOM 1369 O O . GLY A 1 181 ? 35.994 34.948 5.449 1.00 46.72 ? 873 GLY A O 1 \nATOM 1370 N N . GLY A 1 182 ? 35.348 33.841 3.597 1.00 41.02 ? 874 GLY A N 1 \nATOM 1371 C CA . GLY A 1 182 ? 34.156 33.248 4.231 1.00 46.70 ? 874 GLY A CA 1 \nATOM 1372 C C . GLY A 1 182 ? 34.533 32.316 5.367 1.00 46.89 ? 874 GLY A C 1 \nATOM 1373 O O . GLY A 1 182 ? 35.565 31.640 5.303 1.00 38.65 ? 874 GLY A O 1 \nATOM 1374 N N . LYS A 1 183 ? 33.707 32.283 6.417 1.00 40.97 ? 875 LYS A N 1 \nATOM 1375 C CA . LYS A 1 183 ? 33.971 31.414 7.573 1.00 44.70 ? 875 LYS A CA 1 \nATOM 1376 C C . LYS A 1 183 ? 32.851 30.407 7.758 1.00 45.71 ? 875 LYS A C 1 \nATOM 1377 O O . LYS A 1 183 ? 31.728 30.605 7.264 1.00 42.27 ? 875 LYS A O 1 \nATOM 1378 C CB . LYS A 1 183 ? 34.153 32.227 8.861 1.00 57.63 ? 875 LYS A CB 1 \nATOM 1379 C CG . LYS A 1 183 ? 35.303 33.225 8.833 1.00 64.74 ? 875 LYS A CG 1 \nATOM 1380 C CD . LYS A 1 183 ? 36.627 32.601 9.255 1.00 68.35 ? 875 LYS A CD 1 \nATOM 1381 C CE . LYS A 1 183 ? 37.710 33.669 9.334 1.00 73.60 ? 875 LYS A CE 1 \nATOM 1382 N NZ . LYS A 1 183 ? 38.878 33.251 10.159 1.00 70.79 ? 875 LYS A NZ 1 \nATOM 1383 N N . VAL A 1 184 ? 33.178 29.320 8.449 1.00 41.20 ? 876 VAL A N 1 \nATOM 1384 C CA . VAL A 1 184 ? 32.211 28.241 8.736 1.00 40.30 ? 876 VAL A CA 1 \nATOM 1385 C C . VAL A 1 184 ? 32.294 27.905 10.232 1.00 36.00 ? 876 VAL A C 1 \nATOM 1386 O O . VAL A 1 184 ? 33.310 28.204 10.880 1.00 41.42 ? 876 VAL A O 1 \nATOM 1387 C CB . VAL A 1 184 ? 32.448 26.993 7.845 1.00 35.33 ? 876 VAL A CB 1 \nATOM 1388 C CG1 . VAL A 1 184 ? 31.864 27.218 6.452 1.00 38.11 ? 876 VAL A CG1 1 \nATOM 1389 C CG2 . VAL A 1 184 ? 33.937 26.669 7.743 1.00 40.25 ? 876 VAL A CG2 1 \nATOM 1390 N N . PRO A 1 185 ? 31.232 27.304 10.788 1.00 36.65 ? 877 PRO A N 1 \nATOM 1391 C CA . PRO A 1 185 ? 31.168 27.085 12.243 1.00 32.43 ? 877 PRO A CA 1 \nATOM 1392 C C . PRO A 1 185 ? 31.989 25.871 12.669 1.00 33.61 ? 877 PRO A C 1 \nATOM 1393 O O . PRO A 1 185 ? 31.446 24.822 12.981 1.00 29.15 ? 877 PRO A O 1 \nATOM 1394 C CB . PRO A 1 185 ? 29.664 26.864 12.491 1.00 35.69 ? 877 PRO A CB 1 \nATOM 1395 C CG . PRO A 1 185 ? 29.144 26.302 11.211 1.00 33.67 ? 877 PRO A CG 1 \nATOM 1396 C CD . PRO A 1 185 ? 29.979 26.910 10.106 1.00 41.66 ? 877 PRO A CD 1 \nATOM 1397 N N . ILE A 1 186 ? 33.310 26.025 12.729 1.00 27.90 ? 878 ILE A N 1 \nATOM 1398 C CA . ILE A 1 186 ? 34.195 24.889 12.915 1.00 32.46 ? 878 ILE A CA 1 \nATOM 1399 C C . ILE A 1 186 ? 33.910 24.020 14.142 1.00 28.85 ? 878 ILE A C 1 \nATOM 1400 O O . ILE A 1 186 ? 34.082 22.801 14.086 1.00 28.98 ? 878 ILE A O 1 \nATOM 1401 C CB . ILE A 1 186 ? 35.683 25.345 12.980 1.00 32.09 ? 878 ILE A CB 1 \nATOM 1402 C CG1 . ILE A 1 186 ? 36.148 25.881 11.621 1.00 36.30 ? 878 ILE A CG1 1 \nATOM 1403 C CG2 . ILE A 1 186 ? 36.569 24.207 13.469 1.00 32.69 ? 878 ILE A CG2 1 \nATOM 1404 C CD1 . ILE A 1 186 ? 36.435 24.842 10.543 1.00 39.95 ? 878 ILE A CD1 1 \nATOM 1405 N N . LYS A 1 187 ? 33.533 24.645 15.259 1.00 29.60 ? 879 LYS A N 1 \nATOM 1406 C CA . LYS A 1 187 ? 33.367 23.911 16.510 1.00 26.22 ? 879 LYS A CA 1 \nATOM 1407 C C . LYS A 1 187 ? 32.094 23.034 16.526 1.00 24.84 ? 879 LYS A C 1 \nATOM 1408 O O . LYS A 1 187 ? 31.891 22.260 17.448 1.00 28.78 ? 879 LYS A O 1 \nATOM 1409 C CB . LYS A 1 187 ? 33.430 24.858 17.716 1.00 28.83 ? 879 LYS A CB 1 \nATOM 1410 C CG . LYS A 1 187 ? 34.842 25.401 17.951 1.00 38.19 ? 879 LYS A CG 1 \nATOM 1411 C CD . LYS A 1 187 ? 34.830 26.562 18.934 1.00 40.19 ? 879 LYS A CD 1 \nATOM 1412 C CE . LYS A 1 187 ? 36.246 27.029 19.228 1.00 32.84 ? 879 LYS A CE 1 \nATOM 1413 N NZ . LYS A 1 187 ? 36.263 28.136 20.240 1.00 34.70 ? 879 LYS A NZ 1 \nATOM 1414 N N . TRP A 1 188 ? 31.280 23.157 15.489 1.00 24.85 ? 880 TRP A N 1 \nATOM 1415 C CA . TRP A 1 188 ? 30.110 22.292 15.307 1.00 31.64 ? 880 TRP A CA 1 \nATOM 1416 C C . TRP A 1 188 ? 30.306 21.259 14.183 1.00 30.59 ? 880 TRP A C 1 \nATOM 1417 O O . TRP A 1 188 ? 29.457 20.390 13.978 1.00 34.02 ? 880 TRP A O 1 \nATOM 1418 C CB . TRP A 1 188 ? 28.878 23.149 15.031 1.00 27.14 ? 880 TRP A CB 1 \nATOM 1419 C CG . TRP A 1 188 ? 28.339 23.795 16.290 1.00 28.73 ? 880 TRP A CG 1 \nATOM 1420 C CD1 . TRP A 1 188 ? 27.276 23.367 17.051 1.00 28.66 ? 880 TRP A CD1 1 \nATOM 1421 C CD2 . TRP A 1 188 ? 28.859 24.962 16.945 1.00 31.97 ? 880 TRP A CD2 1 \nATOM 1422 N NE1 . TRP A 1 188 ? 27.115 24.199 18.138 1.00 28.60 ? 880 TRP A NE1 1 \nATOM 1423 C CE2 . TRP A 1 188 ? 28.064 25.190 18.091 1.00 30.62 ? 880 TRP A CE2 1 \nATOM 1424 C CE3 . TRP A 1 188 ? 29.917 25.850 16.662 1.00 31.59 ? 880 TRP A CE3 1 \nATOM 1425 C CZ2 . TRP A 1 188 ? 28.291 26.276 18.965 1.00 31.23 ? 880 TRP A CZ2 1 \nATOM 1426 C CZ3 . TRP A 1 188 ? 30.154 26.923 17.542 1.00 30.88 ? 880 TRP A CZ3 1 \nATOM 1427 C CH2 . TRP A 1 188 ? 29.358 27.112 18.676 1.00 25.65 ? 880 TRP A CH2 1 \nATOM 1428 N N . MET A 1 189 ? 31.427 21.349 13.460 1.00 27.44 ? 881 MET A N 1 \nATOM 1429 C CA . MET A 1 189 ? 31.540 20.623 12.193 1.00 26.86 ? 881 MET A CA 1 \nATOM 1430 C C . MET A 1 189 ? 32.150 19.249 12.353 1.00 28.50 ? 881 MET A C 1 \nATOM 1431 O O . MET A 1 189 ? 33.062 19.068 13.159 1.00 28.72 ? 881 MET A O 1 \nATOM 1432 C CB . MET A 1 189 ? 32.326 21.432 11.154 1.00 29.39 ? 881 MET A CB 1 \nATOM 1433 C CG . MET A 1 189 ? 31.563 22.600 10.554 1.00 32.10 ? 881 MET A CG 1 \nATOM 1434 S SD . MET A 1 189 ? 32.705 23.710 9.728 1.00 36.98 ? 881 MET A SD 1 \nATOM 1435 C CE . MET A 1 189 ? 33.274 22.696 8.370 1.00 32.20 ? 881 MET A CE 1 \nATOM 1436 N N . ALA A 1 190 ? 31.666 18.280 11.573 1.00 27.59 ? 882 ALA A N 1 \nATOM 1437 C CA . ALA A 1 190 ? 32.274 16.941 11.583 1.00 23.42 ? 882 ALA A CA 1 \nATOM 1438 C C . ALA A 1 190 ? 33.701 17.054 11.025 1.00 26.24 ? 882 ALA A C 1 \nATOM 1439 O O . ALA A 1 190 ? 33.983 17.914 10.193 1.00 25.83 ? 882 ALA A O 1 \nATOM 1440 C CB . ALA A 1 190 ? 31.483 15.966 10.710 1.00 21.36 ? 882 ALA A CB 1 \nATOM 1441 N N . LEU A 1 191 ? 34.575 16.153 11.432 1.00 29.23 ? 883 LEU A N 1 \nATOM 1442 C CA . LEU A 1 191 ? 35.973 16.210 10.953 1.00 30.11 ? 883 LEU A CA 1 \nATOM 1443 C C . LEU A 1 191 ? 36.095 16.155 9.415 1.00 31.93 ? 883 LEU A C 1 \nATOM 1444 O O . LEU A 1 191 ? 36.886 16.913 8.820 1.00 28.83 ? 883 LEU A O 1 \nATOM 1445 C CB . LEU A 1 191 ? 36.804 15.101 11.603 1.00 29.10 ? 883 LEU A CB 1 \nATOM 1446 C CG . LEU A 1 191 ? 38.327 15.214 11.398 1.00 28.93 ? 883 LEU A CG 1 \nATOM 1447 C CD1 . LEU A 1 191 ? 38.797 16.632 11.665 1.00 33.97 ? 883 LEU A CD1 1 \nATOM 1448 C CD2 . LEU A 1 191 ? 39.017 14.211 12.293 1.00 29.31 ? 883 LEU A CD2 1 \nATOM 1449 N N . GLU A 1 192 ? 35.311 15.288 8.761 1.00 21.95 ? 884 GLU A N 1 \nATOM 1450 C CA . GLU A 1 192 ? 35.344 15.209 7.296 1.00 22.92 ? 884 GLU A CA 1 \nATOM 1451 C C . GLU A 1 192 ? 34.876 16.508 6.591 1.00 26.17 ? 884 GLU A C 1 \nATOM 1452 O O . GLU A 1 192 ? 35.268 16.778 5.447 1.00 24.35 ? 884 GLU A O 1 \nATOM 1453 C CB . GLU A 1 192 ? 34.646 13.943 6.753 1.00 26.86 ? 884 GLU A CB 1 \nATOM 1454 C CG . GLU A 1 192 ? 33.105 13.951 6.895 1.00 27.94 ? 884 GLU A CG 1 \nATOM 1455 C CD . GLU A 1 192 ? 32.564 13.567 8.273 1.00 29.05 ? 884 GLU A CD 1 \nATOM 1456 O OE1 . GLU A 1 192 ? 33.301 13.408 9.265 1.00 25.06 ? 884 GLU A OE1 1 \nATOM 1457 O OE2 . GLU A 1 192 ? 31.319 13.447 8.409 1.00 23.90 ? 884 GLU A OE2 1 \nATOM 1458 N N . SER A 1 193 ? 34.033 17.294 7.263 1.00 30.81 ? 885 SER A N 1 \nATOM 1459 C CA . SER A 1 193 ? 33.587 18.585 6.721 1.00 25.73 ? 885 SER A CA 1 \nATOM 1460 C C . SER A 1 193 ? 34.723 19.608 6.802 1.00 27.51 ? 885 SER A C 1 \nATOM 1461 O O . SER A 1 193 ? 34.939 20.392 5.877 1.00 29.16 ? 885 SER A O 1 \nATOM 1462 C CB . SER A 1 193 ? 32.382 19.102 7.520 1.00 26.41 ? 885 SER A CB 1 \nATOM 1463 O OG . SER A 1 193 ? 31.330 18.146 7.461 1.00 29.44 ? 885 SER A OG 1 \nATOM 1464 N N . ILE A 1 194 ? 35.414 19.578 7.929 1.00 25.32 ? 886 ILE A N 1 \nATOM 1465 C CA . ILE A 1 194 ? 36.574 20.454 8.176 1.00 30.05 ? 886 ILE A CA 1 \nATOM 1466 C C . ILE A 1 194 ? 37.659 20.144 7.152 1.00 30.18 ? 886 ILE A C 1 \nATOM 1467 O O . ILE A 1 194 ? 38.150 21.055 6.475 1.00 32.84 ? 886 ILE A O 1 \nATOM 1468 C CB . ILE A 1 194 ? 37.110 20.303 9.615 1.00 36.22 ? 886 ILE A CB 1 \nATOM 1469 C CG1 . ILE A 1 194 ? 36.049 20.780 10.634 1.00 31.72 ? 886 ILE A CG1 1 \nATOM 1470 C CG2 . ILE A 1 194 ? 38.400 21.107 9.804 1.00 32.89 ? 886 ILE A CG2 1 \nATOM 1471 C CD1 . ILE A 1 194 ? 36.393 20.470 12.086 1.00 30.73 ? 886 ILE A CD1 1 \nATOM 1472 N N . LEU A 1 195 ? 37.993 18.853 6.989 1.00 31.51 ? 887 LEU A N 1 \nATOM 1473 C CA . LEU A 1 195 ? 39.125 18.443 6.148 1.00 34.19 ? 887 LEU A CA 1 \nATOM 1474 C C . LEU A 1 195 ? 38.849 18.409 4.655 1.00 36.04 ? 887 LEU A C 1 \nATOM 1475 O O . LEU A 1 195 ? 39.732 18.687 3.891 1.00 26.34 ? 887 LEU A O 1 \nATOM 1476 C CB . LEU A 1 195 ? 39.729 17.097 6.600 1.00 30.53 ? 887 LEU A CB 1 \nATOM 1477 C CG . LEU A 1 195 ? 40.150 17.042 8.077 1.00 39.64 ? 887 LEU A CG 1 \nATOM 1478 C CD1 . LEU A 1 195 ? 40.469 15.608 8.488 1.00 38.89 ? 887 LEU A CD1 1 \nATOM 1479 C CD2 . LEU A 1 195 ? 41.336 17.967 8.366 1.00 35.87 ? 887 LEU A CD2 1 \nATOM 1480 N N . HIS A 1 196 ? 37.628 18.086 4.233 1.00 26.10 ? 888 HIS A N 1 \nATOM 1481 C CA . HIS A 1 196 ? 37.369 17.835 2.818 1.00 24.98 ? 888 HIS A CA 1 \nATOM 1482 C C . HIS A 1 196 ? 36.058 18.409 2.302 1.00 28.24 ? 888 HIS A C 1 \nATOM 1483 O O . HIS A 1 196 ? 35.654 18.072 1.186 1.00 27.84 ? 888 HIS A O 1 \nATOM 1484 C CB . HIS A 1 196 ? 37.363 16.319 2.542 1.00 29.19 ? 888 HIS A CB 1 \nATOM 1485 C CG . HIS A 1 196 ? 38.705 15.681 2.728 1.00 31.15 ? 888 HIS A CG 1 \nATOM 1486 N ND1 . HIS A 1 196 ? 39.739 15.857 1.835 1.00 34.56 ? 888 HIS A ND1 1 \nATOM 1487 C CD2 . HIS A 1 196 ? 39.188 14.892 3.718 1.00 31.38 ? 888 HIS A CD2 1 \nATOM 1488 C CE1 . HIS A 1 196 ? 40.807 15.208 2.270 1.00 34.69 ? 888 HIS A CE1 1 \nATOM 1489 N NE2 . HIS A 1 196 ? 40.496 14.601 3.401 1.00 35.08 ? 888 HIS A NE2 1 \nATOM 1490 N N . ARG A 1 197 ? 35.422 19.255 3.114 1.00 25.02 ? 889 ARG A N 1 \nATOM 1491 C CA . ARG A 1 197 ? 34.179 19.942 2.731 1.00 32.39 ? 889 ARG A CA 1 \nATOM 1492 C C . ARG A 1 197 ? 33.118 18.923 2.370 1.00 26.78 ? 889 ARG A C 1 \nATOM 1493 O O . ARG A 1 197 ? 32.276 19.159 1.484 1.00 29.23 ? 889 ARG A O 1 \nATOM 1494 C CB . ARG A 1 197 ? 34.429 20.930 1.578 1.00 31.37 ? 889 ARG A CB 1 \nATOM 1495 C CG . ARG A 1 197 ? 35.516 21.943 1.891 1.00 33.25 ? 889 ARG A CG 1 \nATOM 1496 C CD . ARG A 1 197 ? 35.608 22.980 0.779 1.00 39.11 ? 889 ARG A CD 1 \nATOM 1497 N NE . ARG A 1 197 ? 36.544 24.044 1.105 1.00 37.65 ? 889 ARG A NE 1 \nATOM 1498 C CZ . ARG A 1 197 ? 37.701 24.266 0.468 1.00 46.93 ? 889 ARG A CZ 1 \nATOM 1499 N NH1 . ARG A 1 197 ? 38.074 23.526 -0.570 1.00 38.03 ? 889 ARG A NH1 1 \nATOM 1500 N NH2 . ARG A 1 197 ? 38.476 25.267 0.846 1.00 40.00 ? 889 ARG A NH2 1 \nATOM 1501 N N . ILE A 1 198 ? 33.175 17.774 3.039 1.00 26.13 ? 890 ILE A N 1 \nATOM 1502 C CA . ILE A 1 198 ? 32.145 16.730 2.876 1.00 29.66 ? 890 ILE A CA 1 \nATOM 1503 C C . ILE A 1 198 ? 31.018 17.016 3.855 1.00 26.43 ? 890 ILE A C 1 \nATOM 1504 O O . ILE A 1 198 ? 31.245 17.066 5.063 1.00 26.43 ? 890 ILE A O 1 \nATOM 1505 C CB . ILE A 1 198 ? 32.701 15.296 3.144 1.00 29.59 ? 890 ILE A CB 1 \nATOM 1506 C CG1 . ILE A 1 198 ? 33.716 14.901 2.071 1.00 34.56 ? 890 ILE A CG1 1 \nATOM 1507 C CG2 . ILE A 1 198 ? 31.564 14.262 3.147 1.00 26.41 ? 890 ILE A CG2 1 \nATOM 1508 C CD1 . ILE A 1 198 ? 34.686 13.798 2.502 1.00 27.38 ? 890 ILE A CD1 1 \nATOM 1509 N N . TYR A 1 199 ? 29.787 17.135 3.328 1.00 27.40 ? 891 TYR A N 1 \nATOM 1510 C CA . TYR A 1 199 ? 28.606 17.370 4.144 1.00 29.79 ? 891 TYR A CA 1 \nATOM 1511 C C . TYR A 1 199 ? 27.537 16.381 3.726 1.00 26.49 ? 891 TYR A C 1 \nATOM 1512 O O . TYR A 1 199 ? 27.188 16.314 2.550 1.00 29.21 ? 891 TYR A O 1 \nATOM 1513 C CB . TYR A 1 199 ? 28.046 18.756 3.884 1.00 31.16 ? 891 TYR A CB 1 \nATOM 1514 C CG . TYR A 1 199 ? 28.844 19.897 4.436 1.00 32.59 ? 891 TYR A CG 1 \nATOM 1515 C CD1 . TYR A 1 199 ? 28.639 20.341 5.751 1.00 30.54 ? 891 TYR A CD1 1 \nATOM 1516 C CD2 . TYR A 1 199 ? 29.797 20.548 3.648 1.00 32.80 ? 891 TYR A CD2 1 \nATOM 1517 C CE1 . TYR A 1 199 ? 29.363 21.411 6.254 1.00 37.58 ? 891 TYR A CE1 1 \nATOM 1518 C CE2 . TYR A 1 199 ? 30.514 21.623 4.141 1.00 34.48 ? 891 TYR A CE2 1 \nATOM 1519 C CZ . TYR A 1 199 ? 30.291 22.043 5.443 1.00 35.46 ? 891 TYR A CZ 1 \nATOM 1520 O OH . TYR A 1 199 ? 30.976 23.117 5.945 1.00 42.40 ? 891 TYR A OH 1 \nATOM 1521 N N . THR A 1 200 ? 27.092 15.591 4.699 1.00 27.14 ? 892 THR A N 1 \nATOM 1522 C CA . THR A 1 200 ? 26.052 14.573 4.503 1.00 28.00 ? 892 THR A CA 1 \nATOM 1523 C C . THR A 1 200 ? 25.132 14.670 5.688 1.00 24.99 ? 892 THR A C 1 \nATOM 1524 O O . THR A 1 200 ? 25.394 15.437 6.647 1.00 24.52 ? 892 THR A O 1 \nATOM 1525 C CB . THR A 1 200 ? 26.656 13.161 4.529 1.00 24.93 ? 892 THR A CB 1 \nATOM 1526 O OG1 . THR A 1 200 ? 27.152 12.906 5.842 1.00 26.37 ? 892 THR A OG1 1 \nATOM 1527 C CG2 . THR A 1 200 ? 27.808 13.012 3.492 1.00 29.56 ? 892 THR A CG2 1 \nATOM 1528 N N . HIS A 1 201 ? 24.060 13.868 5.664 1.00 26.44 ? 893 HIS A N 1 \nATOM 1529 C CA . HIS A 1 201 ? 23.230 13.753 6.839 1.00 29.70 ? 893 HIS A CA 1 \nATOM 1530 C C . HIS A 1 201 ? 23.987 13.219 8.061 1.00 24.12 ? 893 HIS A C 1 \nATOM 1531 O O . HIS A 1 201 ? 23.680 13.585 9.197 1.00 22.63 ? 893 HIS A O 1 \nATOM 1532 C CB . HIS A 1 201 ? 21.929 12.993 6.484 1.00 25.97 ? 893 HIS A CB 1 \nATOM 1533 C CG . HIS A 1 201 ? 21.172 13.679 5.386 1.00 27.52 ? 893 HIS A CG 1 \nATOM 1534 N ND1 . HIS A 1 201 ? 20.529 14.883 5.575 1.00 28.59 ? 893 HIS A ND1 1 \nATOM 1535 C CD2 . HIS A 1 201 ? 21.051 13.390 4.069 1.00 28.83 ? 893 HIS A CD2 1 \nATOM 1536 C CE1 . HIS A 1 201 ? 20.035 15.299 4.425 1.00 27.39 ? 893 HIS A CE1 1 \nATOM 1537 N NE2 . HIS A 1 201 ? 20.298 14.394 3.505 1.00 32.49 ? 893 HIS A NE2 1 \nATOM 1538 N N . GLN A 1 202 ? 25.059 12.470 7.828 1.00 26.66 ? 894 GLN A N 1 \nATOM 1539 C CA . GLN A 1 202 ? 25.919 11.997 8.926 1.00 29.47 ? 894 GLN A CA 1 \nATOM 1540 C C . GLN A 1 202 ? 26.906 13.056 9.499 1.00 26.86 ? 894 GLN A C 1 \nATOM 1541 O O . GLN A 1 202 ? 27.298 12.991 10.667 1.00 22.97 ? 894 GLN A O 1 \nATOM 1542 C CB . GLN A 1 202 ? 26.654 10.708 8.491 1.00 27.17 ? 894 GLN A CB 1 \nATOM 1543 C CG . GLN A 1 202 ? 25.705 9.525 8.192 1.00 24.91 ? 894 GLN A CG 1 \nATOM 1544 C CD . GLN A 1 202 ? 24.783 9.234 9.369 1.00 30.07 ? 894 GLN A CD 1 \nATOM 1545 O OE1 . GLN A 1 202 ? 23.581 9.588 9.349 1.00 27.00 ? 894 GLN A OE1 1 \nATOM 1546 N NE2 . GLN A 1 202 ? 25.334 8.605 10.418 1.00 27.72 ? 894 GLN A NE2 1 \nATOM 1547 N N . SER A 1 203 ? 27.288 14.034 8.695 1.00 24.14 ? 895 SER A N 1 \nATOM 1548 C CA . SER A 1 203 ? 27.927 15.211 9.257 1.00 27.27 ? 895 SER A CA 1 \nATOM 1549 C C . SER A 1 203 ? 26.958 16.056 10.075 1.00 27.74 ? 895 SER A C 1 \nATOM 1550 O O . SER A 1 203 ? 27.372 16.618 11.077 1.00 25.43 ? 895 SER A O 1 \nATOM 1551 C CB . SER A 1 203 ? 28.699 16.026 8.208 1.00 31.60 ? 895 SER A CB 1 \nATOM 1552 O OG . SER A 1 203 ? 27.862 16.621 7.234 1.00 25.89 ? 895 SER A OG 1 \nATOM 1553 N N . ASP A 1 204 ? 25.672 16.123 9.675 1.00 26.73 ? 896 ASP A N 1 \nATOM 1554 C CA . ASP A 1 204 ? 24.643 16.770 10.518 1.00 24.53 ? 896 ASP A CA 1 \nATOM 1555 C C . ASP A 1 204 ? 24.481 16.058 11.860 1.00 20.29 ? 896 ASP A C 1 \nATOM 1556 O O . ASP A 1 204 ? 24.275 16.687 12.887 1.00 22.46 ? 896 ASP A O 1 \nATOM 1557 C CB . ASP A 1 204 ? 23.246 16.817 9.833 1.00 28.43 ? 896 ASP A CB 1 \nATOM 1558 C CG . ASP A 1 204 ? 23.121 17.900 8.737 1.00 31.24 ? 896 ASP A CG 1 \nATOM 1559 O OD1 . ASP A 1 204 ? 22.115 17.834 7.982 1.00 27.91 ? 896 ASP A OD1 1 \nATOM 1560 O OD2 . ASP A 1 204 ? 23.997 18.781 8.573 1.00 26.34 ? 896 ASP A OD2 1 \nATOM 1561 N N . VAL A 1 205 ? 24.598 14.736 11.846 1.00 20.23 ? 897 VAL A N 1 \nATOM 1562 C CA . VAL A 1 205 ? 24.610 13.991 13.102 1.00 19.28 ? 897 VAL A CA 1 \nATOM 1563 C C . VAL A 1 205 ? 25.629 14.450 14.120 1.00 25.81 ? 897 VAL A C 1 \nATOM 1564 O O . VAL A 1 205 ? 25.320 14.560 15.295 1.00 22.78 ? 897 VAL A O 1 \nATOM 1565 C CB . VAL A 1 205 ? 24.658 12.448 12.868 1.00 19.54 ? 897 VAL A CB 1 \nATOM 1566 C CG1 . VAL A 1 205 ? 24.843 11.704 14.183 1.00 19.88 ? 897 VAL A CG1 1 \nATOM 1567 C CG2 . VAL A 1 205 ? 23.325 11.945 12.233 1.00 24.43 ? 897 VAL A CG2 1 \nATOM 1568 N N . TRP A 1 206 ? 26.864 14.693 13.659 1.00 21.20 ? 898 TRP A N 1 \nATOM 1569 C CA . TRP A 1 206 ? 27.927 15.223 14.521 1.00 24.82 ? 898 TRP A CA 1 \nATOM 1570 C C . TRP A 1 206 ? 27.505 16.541 15.151 1.00 23.28 ? 898 TRP A C 1 \nATOM 1571 O O . TRP A 1 206 ? 27.615 16.712 16.379 1.00 21.81 ? 898 TRP A O 1 \nATOM 1572 C CB . TRP A 1 206 ? 29.205 15.401 13.666 1.00 22.74 ? 898 TRP A CB 1 \nATOM 1573 C CG . TRP A 1 206 ? 30.380 15.970 14.398 1.00 20.42 ? 898 TRP A CG 1 \nATOM 1574 C CD1 . TRP A 1 206 ? 30.466 17.185 15.058 1.00 24.29 ? 898 TRP A CD1 1 \nATOM 1575 C CD2 . TRP A 1 206 ? 31.674 15.336 14.558 1.00 24.05 ? 898 TRP A CD2 1 \nATOM 1576 N NE1 . TRP A 1 206 ? 31.757 17.336 15.607 1.00 23.39 ? 898 TRP A NE1 1 \nATOM 1577 C CE2 . TRP A 1 206 ? 32.494 16.220 15.304 1.00 23.70 ? 898 TRP A CE2 1 \nATOM 1578 C CE3 . TRP A 1 206 ? 32.210 14.127 14.116 1.00 26.61 ? 898 TRP A CE3 1 \nATOM 1579 C CZ2 . TRP A 1 206 ? 33.837 15.910 15.635 1.00 27.97 ? 898 TRP A CZ2 1 \nATOM 1580 C CZ3 . TRP A 1 206 ? 33.568 13.828 14.425 1.00 27.65 ? 898 TRP A CZ3 1 \nATOM 1581 C CH2 . TRP A 1 206 ? 34.333 14.704 15.185 1.00 26.29 ? 898 TRP A CH2 1 \nATOM 1582 N N . SER A 1 207 ? 26.971 17.444 14.316 1.00 21.82 ? 899 SER A N 1 \nATOM 1583 C CA . SER A 1 207 ? 26.558 18.772 14.763 1.00 21.42 ? 899 SER A CA 1 \nATOM 1584 C C . SER A 1 207 ? 25.369 18.645 15.715 1.00 24.08 ? 899 SER A C 1 \nATOM 1585 O O . SER A 1 207 ? 25.228 19.457 16.652 1.00 23.02 ? 899 SER A O 1 \nATOM 1586 C CB . SER A 1 207 ? 26.142 19.636 13.571 1.00 22.79 ? 899 SER A CB 1 \nATOM 1587 O OG . SER A 1 207 ? 27.196 19.709 12.622 1.00 29.32 ? 899 SER A OG 1 \nATOM 1588 N N . TYR A 1 208 ? 24.551 17.615 15.484 1.00 24.08 ? 900 TYR A N 1 \nATOM 1589 C CA . TYR A 1 208 ? 23.474 17.266 16.443 1.00 22.45 ? 900 TYR A CA 1 \nATOM 1590 C C . TYR A 1 208 ? 24.039 16.904 17.797 1.00 24.83 ? 900 TYR A C 1 \nATOM 1591 O O . TYR A 1 208 ? 23.514 17.330 18.811 1.00 22.80 ? 900 TYR A O 1 \nATOM 1592 C CB . TYR A 1 208 ? 22.565 16.129 15.923 1.00 26.91 ? 900 TYR A CB 1 \nATOM 1593 C CG . TYR A 1 208 ? 21.483 15.683 16.918 1.00 24.64 ? 900 TYR A CG 1 \nATOM 1594 C CD1 . TYR A 1 208 ? 21.709 14.629 17.818 1.00 24.58 ? 900 TYR A CD1 1 \nATOM 1595 C CD2 . TYR A 1 208 ? 20.207 16.282 16.921 1.00 29.41 ? 900 TYR A CD2 1 \nATOM 1596 C CE1 . TYR A 1 208 ? 20.714 14.188 18.692 1.00 30.37 ? 900 TYR A CE1 1 \nATOM 1597 C CE2 . TYR A 1 208 ? 19.220 15.867 17.813 1.00 25.82 ? 900 TYR A CE2 1 \nATOM 1598 C CZ . TYR A 1 208 ? 19.472 14.819 18.694 1.00 30.20 ? 900 TYR A CZ 1 \nATOM 1599 O OH . TYR A 1 208 ? 18.495 14.386 19.571 1.00 29.23 ? 900 TYR A OH 1 \nATOM 1600 N N . GLY A 1 209 ? 25.144 16.142 17.822 1.00 25.68 ? 901 GLY A N 1 \nATOM 1601 C CA . GLY A 1 209 ? 25.756 15.748 19.096 1.00 23.98 ? 901 GLY A CA 1 \nATOM 1602 C C . GLY A 1 209 ? 26.223 17.007 19.827 1.00 24.33 ? 901 GLY A C 1 \nATOM 1603 O O . GLY A 1 209 ? 26.101 17.084 21.035 1.00 23.86 ? 901 GLY A O 1 \nATOM 1604 N N . VAL A 1 210 ? 26.818 17.960 19.086 1.00 25.05 ? 902 VAL A N 1 \nATOM 1605 C CA . VAL A 1 210 ? 27.315 19.214 19.683 1.00 21.83 ? 902 VAL A CA 1 \nATOM 1606 C C . VAL A 1 210 ? 26.114 20.019 20.243 1.00 24.08 ? 902 VAL A C 1 \nATOM 1607 O O . VAL A 1 210 ? 26.152 20.532 21.345 1.00 26.25 ? 902 VAL A O 1 \nATOM 1608 C CB . VAL A 1 210 ? 28.167 20.062 18.704 1.00 24.89 ? 902 VAL A CB 1 \nATOM 1609 C CG1 . VAL A 1 210 ? 28.771 21.289 19.420 1.00 26.81 ? 902 VAL A CG1 1 \nATOM 1610 C CG2 . VAL A 1 210 ? 29.308 19.223 18.111 1.00 22.20 ? 902 VAL A CG2 1 \nATOM 1611 N N . THR A 1 211 ? 25.058 20.097 19.457 1.00 23.91 ? 903 THR A N 1 \nATOM 1612 C CA . THR A 1 211 ? 23.826 20.789 19.902 1.00 24.59 ? 903 THR A CA 1 \nATOM 1613 C C . THR A 1 211 ? 23.306 20.220 21.235 1.00 20.47 ? 903 THR A C 1 \nATOM 1614 O O . THR A 1 211 ? 23.031 20.953 22.193 1.00 23.36 ? 903 THR A O 1 \nATOM 1615 C CB . THR A 1 211 ? 22.761 20.724 18.787 1.00 22.55 ? 903 THR A CB 1 \nATOM 1616 O OG1 . THR A 1 211 ? 23.273 21.268 17.569 1.00 24.10 ? 903 THR A OG1 1 \nATOM 1617 C CG2 . THR A 1 211 ? 21.429 21.492 19.168 1.00 24.23 ? 903 THR A CG2 1 \nATOM 1618 N N . VAL A 1 212 ? 23.170 18.901 21.300 1.00 22.65 ? 904 VAL A N 1 \nATOM 1619 C CA . VAL A 1 212 ? 22.729 18.231 22.517 1.00 24.32 ? 904 VAL A CA 1 \nATOM 1620 C C . VAL A 1 212 ? 23.639 18.562 23.686 1.00 29.53 ? 904 VAL A C 1 \nATOM 1621 O O . VAL A 1 212 ? 23.174 18.813 24.780 1.00 25.51 ? 904 VAL A O 1 \nATOM 1622 C CB . VAL A 1 212 ? 22.614 16.698 22.303 1.00 26.14 ? 904 VAL A CB 1 \nATOM 1623 C CG1 . VAL A 1 212 ? 22.367 15.967 23.621 1.00 32.14 ? 904 VAL A CG1 1 \nATOM 1624 C CG2 . VAL A 1 212 ? 21.469 16.388 21.352 1.00 29.78 ? 904 VAL A CG2 1 \nATOM 1625 N N . TRP A 1 213 ? 24.951 18.547 23.442 1.00 25.37 ? 905 TRP A N 1 \nATOM 1626 C CA . TRP A 1 213 ? 25.909 18.952 24.450 1.00 26.02 ? 905 TRP A CA 1 \nATOM 1627 C C . TRP A 1 213 ? 25.618 20.397 24.929 1.00 25.24 ? 905 TRP A C 1 \nATOM 1628 O O . TRP A 1 213 ? 25.647 20.692 26.122 1.00 25.58 ? 905 TRP A O 1 \nATOM 1629 C CB . TRP A 1 213 ? 27.344 18.846 23.879 1.00 27.12 ? 905 TRP A CB 1 \nATOM 1630 C CG . TRP A 1 213 ? 28.457 19.135 24.901 1.00 29.75 ? 905 TRP A CG 1 \nATOM 1631 C CD1 . TRP A 1 213 ? 29.071 18.227 25.727 1.00 29.86 ? 905 TRP A CD1 1 \nATOM 1632 C CD2 . TRP A 1 213 ? 29.059 20.406 25.194 1.00 29.09 ? 905 TRP A CD2 1 \nATOM 1633 N NE1 . TRP A 1 213 ? 30.016 18.857 26.518 1.00 27.53 ? 905 TRP A NE1 1 \nATOM 1634 C CE2 . TRP A 1 213 ? 30.038 20.187 26.202 1.00 31.67 ? 905 TRP A CE2 1 \nATOM 1635 C CE3 . TRP A 1 213 ? 28.896 21.705 24.680 1.00 29.99 ? 905 TRP A CE3 1 \nATOM 1636 C CZ2 . TRP A 1 213 ? 30.822 21.226 26.732 1.00 31.76 ? 905 TRP A CZ2 1 \nATOM 1637 C CZ3 . TRP A 1 213 ? 29.670 22.739 25.211 1.00 29.19 ? 905 TRP A CZ3 1 \nATOM 1638 C CH2 . TRP A 1 213 ? 30.632 22.487 26.218 1.00 31.16 ? 905 TRP A CH2 1 \nATOM 1639 N N . GLU A 1 214 ? 25.375 21.300 23.992 1.00 23.57 ? 906 GLU A N 1 \nATOM 1640 C CA . GLU A 1 214 ? 25.081 22.673 24.361 1.00 26.68 ? 906 GLU A CA 1 \nATOM 1641 C C . GLU A 1 214 ? 23.849 22.707 25.272 1.00 29.46 ? 906 GLU A C 1 \nATOM 1642 O O . GLU A 1 214 ? 23.811 23.439 26.244 1.00 30.72 ? 906 GLU A O 1 \nATOM 1643 C CB . GLU A 1 214 ? 24.731 23.494 23.126 1.00 29.21 ? 906 GLU A CB 1 \nATOM 1644 C CG . GLU A 1 214 ? 25.885 23.793 22.205 1.00 26.76 ? 906 GLU A CG 1 \nATOM 1645 C CD . GLU A 1 214 ? 25.419 24.646 21.045 1.00 26.29 ? 906 GLU A CD 1 \nATOM 1646 O OE1 . GLU A 1 214 ? 25.522 25.884 21.177 1.00 28.98 ? 906 GLU A OE1 1 \nATOM 1647 O OE2 . GLU A 1 214 ? 24.934 24.103 20.035 1.00 28.76 ? 906 GLU A OE2 1 \nATOM 1648 N N . LEU A 1 215 ? 22.852 21.897 24.946 1.00 28.88 ? 907 LEU A N 1 \nATOM 1649 C CA . LEU A 1 215 ? 21.629 21.859 25.737 1.00 31.17 ? 907 LEU A CA 1 \nATOM 1650 C C . LEU A 1 215 ? 21.876 21.375 27.176 1.00 30.41 ? 907 LEU A C 1 \nATOM 1651 O O . LEU A 1 215 ? 21.476 22.031 28.157 1.00 31.35 ? 907 LEU A O 1 \nATOM 1652 C CB . LEU A 1 215 ? 20.588 20.965 25.036 1.00 30.07 ? 907 LEU A CB 1 \nATOM 1653 C CG . LEU A 1 215 ? 20.073 21.493 23.692 1.00 29.46 ? 907 LEU A CG 1 \nATOM 1654 C CD1 . LEU A 1 215 ? 18.881 20.670 23.250 1.00 32.66 ? 907 LEU A CD1 1 \nATOM 1655 C CD2 . LEU A 1 215 ? 19.698 22.976 23.760 1.00 30.38 ? 907 LEU A CD2 1 \nATOM 1656 N N . MET A 1 216 ? 22.572 20.248 27.280 1.00 33.26 ? 908 MET A N 1 \nATOM 1657 C CA . MET A 1 216 ? 22.815 19.567 28.555 1.00 33.03 ? 908 MET A CA 1 \nATOM 1658 C C . MET A 1 216 ? 23.776 20.319 29.480 1.00 33.19 ? 908 MET A C 1 \nATOM 1659 O O . MET A 1 216 ? 23.833 20.034 30.667 1.00 32.50 ? 908 MET A O 1 \nATOM 1660 C CB . MET A 1 216 ? 23.378 18.162 28.308 1.00 29.57 ? 908 MET A CB 1 \nATOM 1661 C CG . MET A 1 216 ? 22.499 17.227 27.502 1.00 31.43 ? 908 MET A CG 1 \nATOM 1662 S SD . MET A 1 216 ? 20.915 16.950 28.305 1.00 38.14 ? 908 MET A SD 1 \nATOM 1663 C CE . MET A 1 216 ? 19.955 16.171 26.994 1.00 35.57 ? 908 MET A CE 1 \nATOM 1664 N N . THR A 1 217 ? 24.529 21.266 28.926 1.00 34.84 ? 909 THR A N 1 \nATOM 1665 C CA . THR A 1 217 ? 25.422 22.110 29.715 1.00 31.46 ? 909 THR A CA 1 \nATOM 1666 C C . THR A 1 217 ? 24.758 23.462 29.973 1.00 35.43 ? 909 THR A C 1 \nATOM 1667 O O . THR A 1 217 ? 25.369 24.375 30.533 1.00 33.37 ? 909 THR A O 1 \nATOM 1668 C CB . THR A 1 217 ? 26.755 22.383 28.990 1.00 30.17 ? 909 THR A CB 1 \nATOM 1669 O OG1 . THR A 1 217 ? 26.503 23.074 27.759 1.00 32.39 ? 909 THR A OG1 1 \nATOM 1670 C CG2 . THR A 1 217 ? 27.548 21.085 28.733 1.00 34.41 ? 909 THR A CG2 1 \nATOM 1671 N N . PHE A 1 218 ? 23.507 23.580 29.542 1.00 32.72 ? 910 PHE A N 1 \nATOM 1672 C CA . PHE A 1 218 ? 22.753 24.834 29.661 1.00 39.49 ? 910 PHE A CA 1 \nATOM 1673 C C . PHE A 1 218 ? 23.452 25.975 28.916 1.00 37.32 ? 910 PHE A C 1 \nATOM 1674 O O . PHE A 1 218 ? 23.512 27.121 29.379 1.00 34.56 ? 910 PHE A O 1 \nATOM 1675 C CB . PHE A 1 218 ? 22.465 25.145 31.144 1.00 38.60 ? 910 PHE A CB 1 \nATOM 1676 C CG . PHE A 1 218 ? 21.737 24.031 31.852 1.00 35.82 ? 910 PHE A CG 1 \nATOM 1677 C CD1 . PHE A 1 218 ? 20.360 23.874 31.695 1.00 42.92 ? 910 PHE A CD1 1 \nATOM 1678 C CD2 . PHE A 1 218 ? 22.424 23.129 32.671 1.00 39.39 ? 910 PHE A CD2 1 \nATOM 1679 C CE1 . PHE A 1 218 ? 19.684 22.843 32.335 1.00 38.58 ? 910 PHE A CE1 1 \nATOM 1680 C CE2 . PHE A 1 218 ? 21.751 22.095 33.320 1.00 38.85 ? 910 PHE A CE2 1 \nATOM 1681 C CZ . PHE A 1 218 ? 20.377 21.960 33.156 1.00 39.25 ? 910 PHE A CZ 1 \nATOM 1682 N N . GLY A 1 219 ? 23.972 25.646 27.741 1.00 30.24 ? 911 GLY A N 1 \nATOM 1683 C CA . GLY A 1 219 ? 24.480 26.659 26.818 1.00 30.44 ? 911 GLY A CA 1 \nATOM 1684 C C . GLY A 1 219 ? 25.938 27.038 26.976 1.00 31.34 ? 911 GLY A C 1 \nATOM 1685 O O . GLY A 1 219 ? 26.322 28.160 26.631 1.00 31.20 ? 911 GLY A O 1 \nATOM 1686 N N . SER A 1 220 ? 26.761 26.109 27.461 1.00 34.43 ? 912 SER A N 1 \nATOM 1687 C CA . SER A 1 220 ? 28.216 26.310 27.408 1.00 32.44 ? 912 SER A CA 1 \nATOM 1688 C C . SER A 1 220 ? 28.744 26.398 25.977 1.00 30.35 ? 912 SER A C 1 \nATOM 1689 O O . SER A 1 220 ? 28.186 25.815 25.051 1.00 29.13 ? 912 SER A O 1 \nATOM 1690 C CB . SER A 1 220 ? 28.963 25.201 28.160 1.00 37.09 ? 912 SER A CB 1 \nATOM 1691 O OG . SER A 1 220 ? 28.615 25.224 29.524 1.00 37.39 ? 912 SER A OG 1 \nATOM 1692 N N . LYS A 1 221 ? 29.864 27.105 25.822 1.00 34.33 ? 913 LYS A N 1 \nATOM 1693 C CA . LYS A 1 221 ? 30.544 27.258 24.535 1.00 36.05 ? 913 LYS A CA 1 \nATOM 1694 C C . LYS A 1 221 ? 31.469 26.073 24.282 1.00 36.45 ? 913 LYS A C 1 \nATOM 1695 O O . LYS A 1 221 ? 32.367 25.819 25.085 1.00 32.75 ? 913 LYS A O 1 \nATOM 1696 C CB . LYS A 1 221 ? 31.374 28.541 24.538 1.00 37.89 ? 913 LYS A CB 1 \nATOM 1697 C CG . LYS A 1 221 ? 30.549 29.809 24.490 1.00 41.62 ? 913 LYS A CG 1 \nATOM 1698 C CD . LYS A 1 221 ? 31.439 31.046 24.591 1.00 54.77 ? 913 LYS A CD 1 \nATOM 1699 C CE . LYS A 1 221 ? 32.281 31.258 23.338 1.00 63.20 ? 913 LYS A CE 1 \nATOM 1700 N NZ . LYS A 1 221 ? 33.156 32.457 23.448 1.00 79.59 ? 913 LYS A NZ 1 \nATOM 1701 N N . PRO A 1 222 ? 31.254 25.337 23.175 1.00 34.16 ? 914 PRO A N 1 \nATOM 1702 C CA . PRO A 1 222 ? 32.058 24.118 22.968 1.00 29.10 ? 914 PRO A CA 1 \nATOM 1703 C C . PRO A 1 222 ? 33.536 24.481 22.719 1.00 34.77 ? 914 PRO A C 1 \nATOM 1704 O O . PRO A 1 222 ? 33.814 25.439 21.996 1.00 33.33 ? 914 PRO A O 1 \nATOM 1705 C CB . PRO A 1 222 ? 31.411 23.481 21.733 1.00 33.91 ? 914 PRO A CB 1 \nATOM 1706 C CG . PRO A 1 222 ? 30.778 24.614 21.005 1.00 34.78 ? 914 PRO A CG 1 \nATOM 1707 C CD . PRO A 1 222 ? 30.298 25.560 22.076 1.00 32.97 ? 914 PRO A CD 1 \nATOM 1708 N N . TYR A 1 223 ? 34.458 23.737 23.325 1.00 33.25 ? 915 TYR A N 1 \nATOM 1709 C CA . TYR A 1 223 ? 35.895 23.998 23.177 1.00 33.85 ? 915 TYR A CA 1 \nATOM 1710 C C . TYR A 1 223 ? 36.207 25.471 23.468 1.00 39.64 ? 915 TYR A C 1 \nATOM 1711 O O . TYR A 1 223 ? 36.948 26.117 22.718 1.00 45.53 ? 915 TYR A O 1 \nATOM 1712 C CB . TYR A 1 223 ? 36.364 23.665 21.764 1.00 33.52 ? 915 TYR A CB 1 \nATOM 1713 C CG . TYR A 1 223 ? 35.818 22.388 21.190 1.00 29.32 ? 915 TYR A CG 1 \nATOM 1714 C CD1 . TYR A 1 223 ? 36.385 21.162 21.511 1.00 32.58 ? 915 TYR A CD1 1 \nATOM 1715 C CD2 . TYR A 1 223 ? 34.742 22.417 20.307 1.00 36.08 ? 915 TYR A CD2 1 \nATOM 1716 C CE1 . TYR A 1 223 ? 35.888 19.981 20.977 1.00 33.76 ? 915 TYR A CE1 1 \nATOM 1717 C CE2 . TYR A 1 223 ? 34.231 21.250 19.767 1.00 31.31 ? 915 TYR A CE2 1 \nATOM 1718 C CZ . TYR A 1 223 ? 34.802 20.038 20.107 1.00 30.34 ? 915 TYR A CZ 1 \nATOM 1719 O OH . TYR A 1 223 ? 34.315 18.876 19.539 1.00 36.05 ? 915 TYR A OH 1 \nATOM 1720 N N . ASP A 1 224 ? 35.618 25.991 24.543 1.00 43.33 ? 916 ASP A N 1 \nATOM 1721 C CA . ASP A 1 224 ? 35.768 27.396 24.940 1.00 48.23 ? 916 ASP A CA 1 \nATOM 1722 C C . ASP A 1 224 ? 37.254 27.719 25.124 1.00 48.30 ? 916 ASP A C 1 \nATOM 1723 O O . ASP A 1 224 ? 37.983 26.961 25.774 1.00 46.71 ? 916 ASP A O 1 \nATOM 1724 C CB . ASP A 1 224 ? 34.988 27.650 26.242 1.00 52.14 ? 916 ASP A CB 1 \nATOM 1725 C CG . ASP A 1 224 ? 34.922 29.136 26.628 1.00 54.58 ? 916 ASP A CG 1 \nATOM 1726 O OD1 . ASP A 1 224 ? 34.708 29.421 27.821 1.00 60.52 ? 916 ASP A OD1 1 \nATOM 1727 O OD2 . ASP A 1 224 ? 35.064 30.008 25.751 1.00 47.27 ? 916 ASP A OD2 1 \nATOM 1728 N N . GLY A 1 225 ? 37.697 28.813 24.511 1.00 56.46 ? 917 GLY A N 1 \nATOM 1729 C CA . GLY A 1 225 ? 39.085 29.258 24.635 1.00 76.19 ? 917 GLY A CA 1 \nATOM 1730 C C . GLY A 1 225 ? 40.035 28.671 23.604 1.00 72.63 ? 917 GLY A C 1 \nATOM 1731 O O . GLY A 1 225 ? 41.021 29.316 23.238 1.00 63.76 ? 917 GLY A O 1 \nATOM 1732 N N . ILE A 1 226 ? 39.738 27.452 23.143 1.00 63.90 ? 918 ILE A N 1 \nATOM 1733 C CA . ILE A 1 226 ? 40.529 26.764 22.114 1.00 49.40 ? 918 ILE A CA 1 \nATOM 1734 C C . ILE A 1 226 ? 40.345 27.411 20.732 1.00 55.67 ? 918 ILE A C 1 \nATOM 1735 O O . ILE A 1 226 ? 39.215 27.569 20.259 1.00 53.67 ? 918 ILE A O 1 \nATOM 1736 C CB . ILE A 1 226 ? 40.247 25.246 22.089 1.00 58.39 ? 918 ILE A CB 1 \nATOM 1737 C CG1 . ILE A 1 226 ? 40.788 24.592 23.362 1.00 67.71 ? 918 ILE A CG1 1 \nATOM 1738 C CG2 . ILE A 1 226 ? 40.855 24.585 20.856 1.00 49.74 ? 918 ILE A CG2 1 \nATOM 1739 C CD1 . ILE A 1 226 ? 40.277 23.185 23.600 1.00 83.95 ? 918 ILE A CD1 1 \nATOM 1740 N N . PRO A 1 227 ? 41.465 27.809 20.091 1.00 55.34 ? 919 PRO A N 1 \nATOM 1741 C CA . PRO A 1 227 ? 41.367 28.478 18.797 1.00 51.65 ? 919 PRO A CA 1 \nATOM 1742 C C . PRO A 1 227 ? 40.839 27.524 17.737 1.00 46.00 ? 919 PRO A C 1 \nATOM 1743 O O . PRO A 1 227 ? 41.228 26.335 17.700 1.00 36.86 ? 919 PRO A O 1 \nATOM 1744 C CB . PRO A 1 227 ? 42.817 28.854 18.466 1.00 48.91 ? 919 PRO A CB 1 \nATOM 1745 C CG . PRO A 1 227 ? 43.602 28.650 19.726 1.00 59.54 ? 919 PRO A CG 1 \nATOM 1746 C CD . PRO A 1 227 ? 42.867 27.590 20.494 1.00 61.20 ? 919 PRO A CD 1 \nATOM 1747 N N . ALA A 1 228 ? 39.982 28.055 16.877 1.00 42.96 ? 920 ALA A N 1 \nATOM 1748 C CA . ALA A 1 228 ? 39.380 27.267 15.795 1.00 53.07 ? 920 ALA A CA 1 \nATOM 1749 C C . ALA A 1 228 ? 40.428 26.554 14.926 1.00 52.49 ? 920 ALA A C 1 \nATOM 1750 O O . ALA A 1 228 ? 40.200 25.430 14.477 1.00 39.45 ? 920 ALA A O 1 \nATOM 1751 C CB . ALA A 1 228 ? 38.482 28.136 14.939 1.00 41.74 ? 920 ALA A CB 1 \nATOM 1752 N N . SER A 1 229 ? 41.578 27.191 14.706 1.00 42.14 ? 921 SER A N 1 \nATOM 1753 C CA . SER A 1 229 ? 42.638 26.564 13.918 1.00 38.91 ? 921 SER A CA 1 \nATOM 1754 C C . SER A 1 229 ? 43.218 25.280 14.535 1.00 41.47 ? 921 SER A C 1 \nATOM 1755 O O . SER A 1 229 ? 43.852 24.491 13.834 1.00 45.17 ? 921 SER A O 1 \nATOM 1756 C CB . SER A 1 229 ? 43.758 27.580 13.611 1.00 43.76 ? 921 SER A CB 1 \nATOM 1757 O OG . SER A 1 229 ? 44.498 27.894 14.783 1.00 45.49 ? 921 SER A OG 1 \nATOM 1758 N N . GLU A 1 230 ? 42.994 25.066 15.832 1.00 38.81 ? 922 GLU A N 1 \nATOM 1759 C CA . GLU A 1 230 ? 43.508 23.877 16.524 1.00 37.90 ? 922 GLU A CA 1 \nATOM 1760 C C . GLU A 1 230 ? 42.483 22.741 16.610 1.00 32.89 ? 922 GLU A C 1 \nATOM 1761 O O . GLU A 1 230 ? 42.824 21.636 17.051 1.00 37.01 ? 922 GLU A O 1 \nATOM 1762 C CB . GLU A 1 230 ? 43.996 24.218 17.938 1.00 43.95 ? 922 GLU A CB 1 \nATOM 1763 C CG . GLU A 1 230 ? 45.241 25.107 17.988 1.00 58.60 ? 922 GLU A CG 1 \nATOM 1764 C CD . GLU A 1 230 ? 46.562 24.340 17.959 1.00 74.68 ? 922 GLU A CD 1 \nATOM 1765 O OE1 . GLU A 1 230 ? 47.536 24.836 18.567 1.00 92.16 ? 922 GLU A OE1 1 \nATOM 1766 O OE2 . GLU A 1 230 ? 46.653 23.253 17.338 1.00 65.14 ? 922 GLU A OE2 1 \nATOM 1767 N N . ILE A 1 231 ? 41.253 22.998 16.186 1.00 36.85 ? 923 ILE A N 1 \nATOM 1768 C CA . ILE A 1 231 ? 40.183 21.993 16.380 1.00 30.58 ? 923 ILE A CA 1 \nATOM 1769 C C . ILE A 1 231 ? 40.420 20.666 15.649 1.00 27.72 ? 923 ILE A C 1 \nATOM 1770 O O . ILE A 1 231 ? 40.283 19.600 16.258 1.00 32.41 ? 923 ILE A O 1 \nATOM 1771 C CB . ILE A 1 231 ? 38.766 22.575 16.099 1.00 36.31 ? 923 ILE A CB 1 \nATOM 1772 C CG1 . ILE A 1 231 ? 38.369 23.629 17.159 1.00 35.07 ? 923 ILE A CG1 1 \nATOM 1773 C CG2 . ILE A 1 231 ? 37.725 21.455 16.020 1.00 31.73 ? 923 ILE A CG2 1 \nATOM 1774 C CD1 . ILE A 1 231 ? 38.250 23.123 18.592 1.00 32.22 ? 923 ILE A CD1 1 \nATOM 1775 N N . SER A 1 232 ? 40.756 20.704 14.355 1.00 28.13 ? 924 SER A N 1 \nATOM 1776 C CA . SER A 1 232 ? 41.002 19.463 13.633 1.00 35.63 ? 924 SER A CA 1 \nATOM 1777 C C . SER A 1 232 ? 42.110 18.610 14.291 1.00 34.96 ? 924 SER A C 1 \nATOM 1778 O O . SER A 1 232 ? 41.992 17.378 14.352 1.00 29.18 ? 924 SER A O 1 \nATOM 1779 C CB . SER A 1 232 ? 41.305 19.725 12.150 1.00 39.13 ? 924 SER A CB 1 \nATOM 1780 O OG . SER A 1 232 ? 42.613 20.267 11.983 1.00 41.55 ? 924 SER A OG 1 \nATOM 1781 N N . SER A 1 233 ? 43.194 19.226 14.792 1.00 38.53 ? 925 SER A N 1 \nATOM 1782 C CA . SER A 1 233 ? 44.236 18.385 15.393 1.00 37.45 ? 925 SER A CA 1 \nATOM 1783 C C . SER A 1 233 ? 43.771 17.767 16.716 1.00 35.21 ? 925 SER A C 1 \nATOM 1784 O O . SER A 1 233 ? 44.032 16.602 16.994 1.00 33.66 ? 925 SER A O 1 \nATOM 1785 C CB . SER A 1 233 ? 45.579 19.125 15.558 1.00 47.26 ? 925 SER A CB 1 \nATOM 1786 O OG . SER A 1 233 ? 45.435 20.233 16.416 1.00 54.50 ? 925 SER A OG 1 \nATOM 1787 N N . ILE A 1 234 ? 43.029 18.547 17.497 1.00 35.17 ? 926 ILE A N 1 \nATOM 1788 C CA . ILE A 1 234 ? 42.404 18.065 18.728 1.00 40.33 ? 926 ILE A CA 1 \nATOM 1789 C C . ILE A 1 234 ? 41.474 16.855 18.453 1.00 34.53 ? 926 ILE A C 1 \nATOM 1790 O O . ILE A 1 234 ? 41.637 15.787 19.056 1.00 32.95 ? 926 ILE A O 1 \nATOM 1791 C CB . ILE A 1 234 ? 41.718 19.262 19.443 1.00 44.79 ? 926 ILE A CB 1 \nATOM 1792 C CG1 . ILE A 1 234 ? 42.727 19.924 20.400 1.00 48.92 ? 926 ILE A CG1 1 \nATOM 1793 C CG2 . ILE A 1 234 ? 40.399 18.888 20.114 1.00 51.95 ? 926 ILE A CG2 1 \nATOM 1794 C CD1 . ILE A 1 234 ? 42.280 21.255 20.973 1.00 61.81 ? 926 ILE A CD1 1 \nATOM 1795 N N . LEU A 1 235 ? 40.532 17.007 17.520 1.00 37.12 ? 927 LEU A N 1 \nATOM 1796 C CA . LEU A 1 235 ? 39.655 15.893 17.106 1.00 32.43 ? 927 LEU A CA 1 \nATOM 1797 C C . LEU A 1 235 ? 40.412 14.654 16.605 1.00 30.80 ? 927 LEU A C 1 \nATOM 1798 O O . LEU A 1 235 ? 40.043 13.515 16.922 1.00 31.95 ? 927 LEU A O 1 \nATOM 1799 C CB . LEU A 1 235 ? 38.673 16.349 16.012 1.00 30.99 ? 927 LEU A CB 1 \nATOM 1800 C CG . LEU A 1 235 ? 37.709 17.440 16.463 1.00 32.53 ? 927 LEU A CG 1 \nATOM 1801 C CD1 . LEU A 1 235 ? 36.815 17.889 15.312 1.00 33.89 ? 927 LEU A CD1 1 \nATOM 1802 C CD2 . LEU A 1 235 ? 36.891 16.918 17.625 1.00 30.69 ? 927 LEU A CD2 1 \nATOM 1803 N N . GLU A 1 236 ? 41.450 14.888 15.810 1.00 37.01 ? 928 GLU A N 1 \nATOM 1804 C CA . GLU A 1 236 ? 42.284 13.804 15.268 1.00 39.13 ? 928 GLU A CA 1 \nATOM 1805 C C . GLU A 1 236 ? 43.002 13.019 16.360 1.00 41.39 ? 928 GLU A C 1 \nATOM 1806 O O . GLU A 1 236 ? 43.225 11.816 16.209 1.00 38.80 ? 928 GLU A O 1 \nATOM 1807 C CB . GLU A 1 236 ? 43.307 14.339 14.255 1.00 40.49 ? 928 GLU A CB 1 \nATOM 1808 C CG . GLU A 1 236 ? 42.754 14.636 12.870 1.00 44.84 ? 928 GLU A CG 1 \nATOM 1809 C CD . GLU A 1 236 ? 43.660 15.532 12.036 1.00 69.64 ? 928 GLU A CD 1 \nATOM 1810 O OE1 . GLU A 1 236 ? 43.599 15.442 10.790 1.00 74.90 ? 928 GLU A OE1 1 \nATOM 1811 O OE2 . GLU A 1 236 ? 44.432 16.332 12.616 1.00 62.95 ? 928 GLU A OE2 1 \nATOM 1812 N N . LYS A 1 237 ? 43.370 13.694 17.448 1.00 40.90 ? 929 LYS A N 1 \nATOM 1813 C CA . LYS A 1 237 ? 44.002 13.020 18.591 1.00 41.80 ? 929 LYS A CA 1 \nATOM 1814 C C . LYS A 1 237 ? 43.006 12.231 19.453 1.00 46.80 ? 929 LYS A C 1 \nATOM 1815 O O . LYS A 1 237 ? 43.398 11.536 20.394 1.00 44.25 ? 929 LYS A O 1 \nATOM 1816 C CB . LYS A 1 237 ? 44.758 14.025 19.459 1.00 50.08 ? 929 LYS A CB 1 \nATOM 1817 C CG . LYS A 1 237 ? 45.966 14.663 18.770 1.00 40.31 ? 929 LYS A CG 1 \nATOM 1818 C CD . LYS A 1 237 ? 46.644 15.696 19.666 1.00 67.33 ? 929 LYS A CD 1 \nATOM 1819 C CE . LYS A 1 237 ? 47.436 15.043 20.796 1.00 79.96 ? 929 LYS A CE 1 \nATOM 1820 N NZ . LYS A 1 237 ? 48.135 16.035 21.664 1.00 77.70 ? 929 LYS A NZ 1 \nATOM 1821 N N . GLY A 1 238 ? 41.721 12.345 19.125 1.00 37.47 ? 930 GLY A N 1 \nATOM 1822 C CA . GLY A 1 238 ? 40.652 11.633 19.840 1.00 39.43 ? 930 GLY A CA 1 \nATOM 1823 C C . GLY A 1 238 ? 39.970 12.436 20.930 1.00 38.99 ? 930 GLY A C 1 \nATOM 1824 O O . GLY A 1 238 ? 39.110 11.903 21.646 1.00 41.30 ? 930 GLY A O 1 \nATOM 1825 N N . GLU A 1 239 ? 40.330 13.714 21.069 1.00 32.16 ? 931 GLU A N 1 \nATOM 1826 C CA . GLU A 1 239 ? 39.759 14.534 22.132 1.00 32.85 ? 931 GLU A CA 1 \nATOM 1827 C C . GLU A 1 239 ? 38.329 14.954 21.745 1.00 28.27 ? 931 GLU A C 1 \nATOM 1828 O O . GLU A 1 239 ? 38.075 15.227 20.573 1.00 28.77 ? 931 GLU A O 1 \nATOM 1829 C CB . GLU A 1 239 ? 40.603 15.762 22.393 1.00 36.69 ? 931 GLU A CB 1 \nATOM 1830 C CG . GLU A 1 239 ? 40.082 16.662 23.503 1.00 49.53 ? 931 GLU A CG 1 \nATOM 1831 C CD . GLU A 1 239 ? 41.036 17.806 23.818 1.00 69.08 ? 931 GLU A CD 1 \nATOM 1832 O OE1 . GLU A 1 239 ? 42.249 17.685 23.508 1.00 53.32 ? 931 GLU A OE1 1 \nATOM 1833 O OE2 . GLU A 1 239 ? 40.568 18.828 24.374 1.00 53.97 ? 931 GLU A OE2 1 \nATOM 1834 N N . ARG A 1 240 ? 37.436 14.994 22.732 1.00 32.01 ? 932 ARG A N 1 \nATOM 1835 C CA . ARG A 1 240 ? 35.995 15.304 22.490 1.00 28.11 ? 932 ARG A CA 1 \nATOM 1836 C C . ARG A 1 240 ? 35.471 16.272 23.565 1.00 32.94 ? 932 ARG A C 1 \nATOM 1837 O O . ARG A 1 240 ? 36.145 16.500 24.574 1.00 32.49 ? 932 ARG A O 1 \nATOM 1838 C CB . ARG A 1 240 ? 35.184 14.002 22.501 1.00 26.86 ? 932 ARG A CB 1 \nATOM 1839 C CG . ARG A 1 240 ? 35.365 13.048 21.316 1.00 27.27 ? 932 ARG A CG 1 \nATOM 1840 C CD . ARG A 1 240 ? 35.153 13.715 19.958 1.00 27.89 ? 932 ARG A CD 1 \nATOM 1841 N NE . ARG A 1 240 ? 35.303 12.791 18.844 1.00 28.64 ? 932 ARG A NE 1 \nATOM 1842 C CZ . ARG A 1 240 ? 36.449 12.531 18.213 1.00 43.88 ? 932 ARG A CZ 1 \nATOM 1843 N NH1 . ARG A 1 240 ? 36.458 11.657 17.217 1.00 36.00 ? 932 ARG A NH1 1 \nATOM 1844 N NH2 . ARG A 1 240 ? 37.584 13.133 18.580 1.00 28.88 ? 932 ARG A NH2 1 \nATOM 1845 N N . LEU A 1 241 ? 34.284 16.855 23.361 1.00 28.49 ? 933 LEU A N 1 \nATOM 1846 C CA . LEU A 1 241 ? 33.643 17.646 24.416 1.00 26.44 ? 933 LEU A CA 1 \nATOM 1847 C C . LEU A 1 241 ? 33.400 16.752 25.622 1.00 27.19 ? 933 LEU A C 1 \nATOM 1848 O O . LEU A 1 241 ? 33.077 15.575 25.443 1.00 32.58 ? 933 LEU A O 1 \nATOM 1849 C CB . LEU A 1 241 ? 32.311 18.241 23.907 1.00 29.48 ? 933 LEU A CB 1 \nATOM 1850 C CG . LEU A 1 241 ? 32.510 19.274 22.790 1.00 28.80 ? 933 LEU A CG 1 \nATOM 1851 C CD1 . LEU A 1 241 ? 31.191 19.477 22.015 1.00 25.49 ? 933 LEU A CD1 1 \nATOM 1852 C CD2 . LEU A 1 241 ? 33.058 20.587 23.368 1.00 24.54 ? 933 LEU A CD2 1 \nATOM 1853 N N . PRO A 1 242 ? 33.563 17.290 26.848 1.00 29.32 ? 934 PRO A N 1 \nATOM 1854 C CA . PRO A 1 242 ? 33.465 16.519 28.091 1.00 31.42 ? 934 PRO A CA 1 \nATOM 1855 C C . PRO A 1 242 ? 32.034 16.165 28.451 1.00 31.97 ? 934 PRO A C 1 \nATOM 1856 O O . PRO A 1 242 ? 31.093 16.860 28.022 1.00 30.19 ? 934 PRO A O 1 \nATOM 1857 C CB . PRO A 1 242 ? 34.021 17.485 29.144 1.00 39.73 ? 934 PRO A CB 1 \nATOM 1858 C CG . PRO A 1 242 ? 33.717 18.844 28.599 1.00 38.13 ? 934 PRO A CG 1 \nATOM 1859 C CD . PRO A 1 242 ? 33.907 18.703 27.109 1.00 35.28 ? 934 PRO A CD 1 \nATOM 1860 N N . GLN A 1 243 ? 31.885 15.115 29.245 1.00 30.53 ? 935 GLN A N 1 \nATOM 1861 C CA . GLN A 1 243 ? 30.573 14.712 29.766 1.00 29.08 ? 935 GLN A CA 1 \nATOM 1862 C C . GLN A 1 243 ? 29.934 15.848 30.576 1.00 32.66 ? 935 GLN A C 1 \nATOM 1863 O O . GLN A 1 243 ? 30.528 16.340 31.528 1.00 36.94 ? 935 GLN A O 1 \nATOM 1864 C CB . GLN A 1 243 ? 30.703 13.453 30.638 1.00 32.68 ? 935 GLN A CB 1 \nATOM 1865 C CG . GLN A 1 243 ? 29.388 13.003 31.278 1.00 37.61 ? 935 GLN A CG 1 \nATOM 1866 C CD . GLN A 1 243 ? 29.522 11.707 32.068 1.00 41.28 ? 935 GLN A CD 1 \nATOM 1867 O OE1 . GLN A 1 243 ? 30.577 11.088 32.077 1.00 38.24 ? 935 GLN A OE1 1 \nATOM 1868 N NE2 . GLN A 1 243 ? 28.447 11.306 32.755 1.00 34.59 ? 935 GLN A NE2 1 \nATOM 1869 N N . PRO A 1 244 ? 28.713 16.273 30.190 1.00 36.45 ? 936 PRO A N 1 \nATOM 1870 C CA . PRO A 1 244 ? 28.008 17.267 31.005 1.00 39.54 ? 936 PRO A CA 1 \nATOM 1871 C C . PRO A 1 244 ? 27.664 16.677 32.377 1.00 36.69 ? 936 PRO A C 1 \nATOM 1872 O O . PRO A 1 244 ? 27.317 15.497 32.453 1.00 35.68 ? 936 PRO A O 1 \nATOM 1873 C CB . PRO A 1 244 ? 26.741 17.562 30.181 1.00 34.20 ? 936 PRO A CB 1 \nATOM 1874 C CG . PRO A 1 244 ? 27.131 17.223 28.774 1.00 32.85 ? 936 PRO A CG 1 \nATOM 1875 C CD . PRO A 1 244 ? 27.993 15.990 28.938 1.00 36.06 ? 936 PRO A CD 1 \nATOM 1876 N N . PRO A 1 245 ? 27.830 17.472 33.457 1.00 38.32 ? 937 PRO A N 1 \nATOM 1877 C CA . PRO A 1 245 ? 27.599 17.015 34.833 1.00 40.21 ? 937 PRO A CA 1 \nATOM 1878 C C . PRO A 1 245 ? 26.233 16.386 35.062 1.00 40.46 ? 937 PRO A C 1 \nATOM 1879 O O . PRO A 1 245 ? 26.126 15.433 35.842 1.00 37.59 ? 937 PRO A O 1 \nATOM 1880 C CB . PRO A 1 245 ? 27.741 18.296 35.655 1.00 46.41 ? 937 PRO A CB 1 \nATOM 1881 C CG . PRO A 1 245 ? 28.715 19.118 34.886 1.00 46.70 ? 937 PRO A CG 1 \nATOM 1882 C CD . PRO A 1 245 ? 28.506 18.788 33.426 1.00 39.47 ? 937 PRO A CD 1 \nATOM 1883 N N . ILE A 1 246 ? 25.204 16.876 34.374 1.00 34.10 ? 938 ILE A N 1 \nATOM 1884 C CA . ILE A 1 246 ? 23.855 16.329 34.558 1.00 37.91 ? 938 ILE A CA 1 \nATOM 1885 C C . ILE A 1 246 ? 23.631 14.986 33.839 1.00 37.49 ? 938 ILE A C 1 \nATOM 1886 O O . ILE A 1 246 ? 22.660 14.289 34.126 1.00 41.11 ? 938 ILE A O 1 \nATOM 1887 C CB . ILE A 1 246 ? 22.731 17.329 34.163 1.00 33.35 ? 938 ILE A CB 1 \nATOM 1888 C CG1 . ILE A 1 246 ? 22.714 17.586 32.640 1.00 35.59 ? 938 ILE A CG1 1 \nATOM 1889 C CG2 . ILE A 1 246 ? 22.828 18.633 34.966 1.00 36.27 ? 938 ILE A CG2 1 \nATOM 1890 C CD1 . ILE A 1 246 ? 21.420 18.224 32.136 1.00 34.32 ? 938 ILE A CD1 1 \nATOM 1891 N N . CYS A 1 247 ? 24.516 14.620 32.915 1.00 34.04 ? 939 CYS A N 1 \nATOM 1892 C CA . CYS A 1 247 ? 24.244 13.437 32.081 1.00 31.20 ? 939 CYS A CA 1 \nATOM 1893 C C . CYS A 1 247 ? 24.743 12.159 32.706 1.00 36.53 ? 939 CYS A C 1 \nATOM 1894 O O . CYS A 1 247 ? 25.908 12.071 33.106 1.00 31.88 ? 939 CYS A O 1 \nATOM 1895 C CB . CYS A 1 247 ? 24.905 13.551 30.709 1.00 32.11 ? 939 CYS A CB 1 \nATOM 1896 S SG . CYS A 1 247 ? 24.327 14.888 29.665 1.00 37.25 ? 939 CYS A SG 1 \nATOM 1897 N N . THR A 1 248 ? 23.891 11.141 32.747 1.00 32.45 ? 940 THR A N 1 \nATOM 1898 C CA . THR A 1 248 ? 24.426 9.802 32.980 1.00 35.97 ? 940 THR A CA 1 \nATOM 1899 C C . THR A 1 248 ? 25.287 9.401 31.793 1.00 34.97 ? 940 THR A C 1 \nATOM 1900 O O . THR A 1 248 ? 25.203 10.005 30.717 1.00 33.70 ? 940 THR A O 1 \nATOM 1901 C CB . THR A 1 248 ? 23.305 8.757 33.128 1.00 35.72 ? 940 THR A CB 1 \nATOM 1902 O OG1 . THR A 1 248 ? 22.500 8.763 31.945 1.00 39.68 ? 940 THR A OG1 1 \nATOM 1903 C CG2 . THR A 1 248 ? 22.449 9.071 34.363 1.00 40.81 ? 940 THR A CG2 1 \nATOM 1904 N N . ILE A 1 249 ? 26.085 8.351 31.966 1.00 33.98 ? 941 ILE A N 1 \nATOM 1905 C CA . ILE A 1 249 ? 26.923 7.835 30.883 1.00 36.66 ? 941 ILE A CA 1 \nATOM 1906 C C . ILE A 1 249 ? 26.138 7.370 29.646 1.00 29.75 ? 941 ILE A C 1 \nATOM 1907 O O . ILE A 1 249 ? 26.623 7.493 28.531 1.00 33.08 ? 941 ILE A O 1 \nATOM 1908 C CB . ILE A 1 249 ? 27.930 6.758 31.391 1.00 41.29 ? 941 ILE A CB 1 \nATOM 1909 C CG1 . ILE A 1 249 ? 29.080 6.560 30.399 1.00 41.07 ? 941 ILE A CG1 1 \nATOM 1910 C CG2 . ILE A 1 249 ? 27.233 5.445 31.720 1.00 36.91 ? 941 ILE A CG2 1 \nATOM 1911 C CD1 . ILE A 1 249 ? 30.126 7.650 30.441 1.00 44.87 ? 941 ILE A CD1 1 \nATOM 1912 N N . ASP A 1 250 ? 24.925 6.850 29.840 1.00 35.62 ? 942 ASP A N 1 \nATOM 1913 C CA . ASP A 1 250 ? 24.058 6.438 28.727 1.00 35.94 ? 942 ASP A CA 1 \nATOM 1914 C C . ASP A 1 250 ? 23.799 7.600 27.757 1.00 33.14 ? 942 ASP A C 1 \nATOM 1915 O O . ASP A 1 250 ? 23.804 7.423 26.529 1.00 31.94 ? 942 ASP A O 1 \nATOM 1916 C CB . ASP A 1 250 ? 22.716 5.941 29.274 1.00 34.61 ? 942 ASP A CB 1 \nATOM 1917 C CG . ASP A 1 250 ? 22.882 4.975 30.427 1.00 57.33 ? 942 ASP A CG 1 \nATOM 1918 O OD1 . ASP A 1 250 ? 22.854 3.759 30.156 1.00 55.48 ? 942 ASP A OD1 1 \nATOM 1919 O OD2 . ASP A 1 250 ? 23.075 5.431 31.589 1.00 61.31 ? 942 ASP A OD2 1 \nATOM 1920 N N . VAL A 1 251 ? 23.575 8.782 28.316 1.00 31.75 ? 943 VAL A N 1 \nATOM 1921 C CA . VAL A 1 251 ? 23.296 9.965 27.488 1.00 32.99 ? 943 VAL A CA 1 \nATOM 1922 C C . VAL A 1 251 ? 24.574 10.469 26.835 1.00 32.91 ? 943 VAL A C 1 \nATOM 1923 O O . VAL A 1 251 ? 24.594 10.757 25.638 1.00 30.24 ? 943 VAL A O 1 \nATOM 1924 C CB . VAL A 1 251 ? 22.603 11.095 28.278 1.00 38.37 ? 943 VAL A CB 1 \nATOM 1925 C CG1 . VAL A 1 251 ? 22.510 12.373 27.438 1.00 34.73 ? 943 VAL A CG1 1 \nATOM 1926 C CG2 . VAL A 1 251 ? 21.217 10.649 28.705 1.00 36.83 ? 943 VAL A CG2 1 \nATOM 1927 N N . TYR A 1 252 ? 25.647 10.557 27.612 1.00 32.14 ? 944 TYR A N 1 \nATOM 1928 C CA . TYR A 1 252 ? 26.927 10.980 27.042 1.00 31.45 ? 944 TYR A CA 1 \nATOM 1929 C C . TYR A 1 252 ? 27.404 10.020 25.942 1.00 29.66 ? 944 TYR A C 1 \nATOM 1930 O O . TYR A 1 252 ? 27.973 10.463 24.949 1.00 30.29 ? 944 TYR A O 1 \nATOM 1931 C CB . TYR A 1 252 ? 27.964 11.172 28.146 1.00 31.25 ? 944 TYR A CB 1 \nATOM 1932 C CG . TYR A 1 252 ? 29.292 11.716 27.677 1.00 33.16 ? 944 TYR A CG 1 \nATOM 1933 C CD1 . TYR A 1 252 ? 30.480 11.078 28.026 1.00 38.27 ? 944 TYR A CD1 1 \nATOM 1934 C CD2 . TYR A 1 252 ? 29.363 12.874 26.876 1.00 30.07 ? 944 TYR A CD2 1 \nATOM 1935 C CE1 . TYR A 1 252 ? 31.701 11.576 27.611 1.00 34.59 ? 944 TYR A CE1 1 \nATOM 1936 C CE2 . TYR A 1 252 ? 30.586 13.381 26.456 1.00 30.25 ? 944 TYR A CE2 1 \nATOM 1937 C CZ . TYR A 1 252 ? 31.740 12.734 26.829 1.00 33.30 ? 944 TYR A CZ 1 \nATOM 1938 O OH . TYR A 1 252 ? 32.946 13.214 26.403 1.00 32.21 ? 944 TYR A OH 1 \nATOM 1939 N N . MET A 1 253 ? 27.179 8.710 26.113 1.00 28.39 ? 945 MET A N 1 \nATOM 1940 C CA . MET A 1 253 ? 27.573 7.751 25.079 1.00 31.97 ? 945 MET A CA 1 \nATOM 1941 C C . MET A 1 253 ? 26.931 8.061 23.738 1.00 36.65 ? 945 MET A C 1 \nATOM 1942 O O . MET A 1 253 ? 27.522 7.845 22.690 1.00 28.47 ? 945 MET A O 1 \nATOM 1943 C CB . MET A 1 253 ? 27.202 6.316 25.454 1.00 38.25 ? 945 MET A CB 1 \nATOM 1944 C CG . MET A 1 253 ? 28.192 5.594 26.346 1.00 55.75 ? 945 MET A CG 1 \nATOM 1945 S SD . MET A 1 253 ? 29.792 5.350 25.555 1.00 67.50 ? 945 MET A SD 1 \nATOM 1946 C CE . MET A 1 253 ? 30.653 6.763 26.204 1.00 33.80 ? 945 MET A CE 1 \nATOM 1947 N N . ILE A 1 254 ? 25.689 8.529 23.763 1.00 30.37 ? 946 ILE A N 1 \nATOM 1948 C CA . ILE A 1 254 ? 25.062 8.912 22.527 1.00 31.60 ? 946 ILE A CA 1 \nATOM 1949 C C . ILE A 1 254 ? 25.826 10.040 21.849 1.00 24.60 ? 946 ILE A C 1 \nATOM 1950 O O . ILE A 1 254 ? 26.081 9.958 20.654 1.00 26.88 ? 946 ILE A O 1 \nATOM 1951 C CB . ILE A 1 254 ? 23.604 9.359 22.747 1.00 34.97 ? 946 ILE A CB 1 \nATOM 1952 C CG1 . ILE A 1 254 ? 22.796 8.227 23.371 1.00 41.69 ? 946 ILE A CG1 1 \nATOM 1953 C CG2 . ILE A 1 254 ? 22.984 9.808 21.430 1.00 36.80 ? 946 ILE A CG2 1 \nATOM 1954 C CD1 . ILE A 1 254 ? 21.374 8.639 23.700 1.00 41.79 ? 946 ILE A CD1 1 \nATOM 1955 N N . MET A 1 255 ? 26.132 11.097 22.606 1.00 24.86 ? 947 MET A N 1 \nATOM 1956 C CA . MET A 1 255 ? 26.870 12.239 22.100 1.00 30.27 ? 947 MET A CA 1 \nATOM 1957 C C . MET A 1 255 ? 28.209 11.750 21.532 1.00 28.44 ? 947 MET A C 1 \nATOM 1958 O O . MET A 1 255 ? 28.639 12.157 20.443 1.00 29.20 ? 947 MET A O 1 \nATOM 1959 C CB . MET A 1 255 ? 27.147 13.237 23.233 1.00 31.12 ? 947 MET A CB 1 \nATOM 1960 C CG . MET A 1 255 ? 26.092 14.323 23.437 1.00 37.09 ? 947 MET A CG 1 \nATOM 1961 S SD . MET A 1 255 ? 26.416 15.215 24.976 1.00 41.55 ? 947 MET A SD 1 \nATOM 1962 C CE . MET A 1 255 ? 25.321 14.328 26.057 1.00 38.59 ? 947 MET A CE 1 \nATOM 1963 N N . VAL A 1 256 ? 28.856 10.867 22.284 1.00 27.85 ? 948 VAL A N 1 \nATOM 1964 C CA . VAL A 1 256 ? 30.157 10.315 21.867 1.00 28.13 ? 948 VAL A CA 1 \nATOM 1965 C C . VAL A 1 256 ? 30.089 9.557 20.548 1.00 25.79 ? 948 VAL A C 1 \nATOM 1966 O O . VAL A 1 256 ? 30.941 9.740 19.686 1.00 26.90 ? 948 VAL A O 1 \nATOM 1967 C CB . VAL A 1 256 ? 30.817 9.463 22.997 1.00 35.26 ? 948 VAL A CB 1 \nATOM 1968 C CG1 . VAL A 1 256 ? 32.037 8.701 22.473 1.00 32.02 ? 948 VAL A CG1 1 \nATOM 1969 C CG2 . VAL A 1 256 ? 31.236 10.376 24.148 1.00 32.56 ? 948 VAL A CG2 1 \nATOM 1970 N N . LYS A 1 257 ? 29.031 8.755 20.361 1.00 27.83 ? 949 LYS A N 1 \nATOM 1971 C CA . LYS A 1 257 ? 28.774 8.081 19.101 1.00 27.08 ? 949 LYS A CA 1 \nATOM 1972 C C . LYS A 1 257 ? 28.585 9.047 17.933 1.00 25.07 ? 949 LYS A C 1 \nATOM 1973 O O . LYS A 1 257 ? 29.025 8.744 16.823 1.00 24.22 ? 949 LYS A O 1 \nATOM 1974 C CB . LYS A 1 257 ? 27.539 7.151 19.198 1.00 30.67 ? 949 LYS A CB 1 \nATOM 1975 C CG . LYS A 1 257 ? 27.699 5.954 20.116 1.00 50.64 ? 949 LYS A CG 1 \nATOM 1976 C CD . LYS A 1 257 ? 26.468 5.062 20.040 1.00 51.67 ? 949 LYS A CD 1 \nATOM 1977 C CE . LYS A 1 257 ? 26.423 4.044 21.167 1.00 82.77 ? 949 LYS A CE 1 \nATOM 1978 N NZ . LYS A 1 257 ? 25.147 3.272 21.132 1.00 91.62 ? 949 LYS A NZ 1 \nATOM 1979 N N . CYS A 1 258 ? 27.916 10.191 18.177 1.00 25.41 ? 950 CYS A N 1 \nATOM 1980 C CA . CYS A 1 258 ? 27.705 11.180 17.129 1.00 19.95 ? 950 CYS A CA 1 \nATOM 1981 C C . CYS A 1 258 ? 29.041 11.770 16.638 1.00 23.74 ? 950 CYS A C 1 \nATOM 1982 O O . CYS A 1 258 ? 29.101 12.339 15.565 1.00 25.93 ? 950 CYS A O 1 \nATOM 1983 C CB . CYS A 1 258 ? 26.879 12.333 17.670 1.00 19.18 ? 950 CYS A CB 1 \nATOM 1984 S SG . CYS A 1 258 ? 25.132 11.865 17.902 1.00 27.36 ? 950 CYS A SG 1 \nATOM 1985 N N . TRP A 1 259 ? 30.088 11.654 17.440 1.00 26.52 ? 951 TRP A N 1 \nATOM 1986 C CA . TRP A 1 259 ? 31.397 12.217 17.056 1.00 25.40 ? 951 TRP A CA 1 \nATOM 1987 C C . TRP A 1 259 ? 32.490 11.223 16.667 1.00 26.10 ? 951 TRP A C 1 \nATOM 1988 O O . TRP A 1 259 ? 33.711 11.543 16.678 1.00 28.21 ? 951 TRP A O 1 \nATOM 1989 C CB . TRP A 1 259 ? 31.924 13.148 18.145 1.00 29.36 ? 951 TRP A CB 1 \nATOM 1990 C CG . TRP A 1 259 ? 30.945 14.182 18.676 1.00 26.70 ? 951 TRP A CG 1 \nATOM 1991 C CD1 . TRP A 1 259 ? 30.089 14.983 17.956 1.00 24.99 ? 951 TRP A CD1 1 \nATOM 1992 C CD2 . TRP A 1 259 ? 30.788 14.550 20.045 1.00 27.29 ? 951 TRP A CD2 1 \nATOM 1993 N NE1 . TRP A 1 259 ? 29.440 15.834 18.802 1.00 24.81 ? 951 TRP A NE1 1 \nATOM 1994 C CE2 . TRP A 1 259 ? 29.813 15.567 20.092 1.00 28.56 ? 951 TRP A CE2 1 \nATOM 1995 C CE3 . TRP A 1 259 ? 31.365 14.099 21.250 1.00 21.85 ? 951 TRP A CE3 1 \nATOM 1996 C CZ2 . TRP A 1 259 ? 29.396 16.145 21.294 1.00 29.28 ? 951 TRP A CZ2 1 \nATOM 1997 C CZ3 . TRP A 1 259 ? 30.964 14.656 22.427 1.00 26.79 ? 951 TRP A CZ3 1 \nATOM 1998 C CH2 . TRP A 1 259 ? 29.962 15.679 22.449 1.00 25.12 ? 951 TRP A CH2 1 \nATOM 1999 N N . MET A 1 260 ? 32.068 10.028 16.295 1.00 28.04 ? 952 MET A N 1 \nATOM 2000 C CA . MET A 1 260 ? 32.971 9.031 15.724 1.00 31.49 ? 952 MET A CA 1 \nATOM 2001 C C . MET A 1 260 ? 33.558 9.485 14.406 1.00 31.35 ? 952 MET A C 1 \nATOM 2002 O O . MET A 1 260 ? 32.898 10.092 13.574 1.00 22.79 ? 952 MET A O 1 \nATOM 2003 C CB . MET A 1 260 ? 32.235 7.699 15.549 1.00 29.84 ? 952 MET A CB 1 \nATOM 2004 C CG . MET A 1 260 ? 31.955 7.055 16.881 1.00 35.69 ? 952 MET A CG 1 \nATOM 2005 S SD . MET A 1 260 ? 31.264 5.418 16.645 1.00 50.21 ? 952 MET A SD 1 \nATOM 2006 C CE . MET A 1 260 ? 29.532 5.748 16.482 1.00 49.56 ? 952 MET A CE 1 \nATOM 2007 N N . ILE A 1 261 ? 34.849 9.215 14.207 1.00 26.28 ? 953 ILE A N 1 \nATOM 2008 C CA . ILE A 1 261 ? 35.477 9.572 12.945 1.00 26.84 ? 953 ILE A CA 1 \nATOM 2009 C C . ILE A 1 261 ? 34.795 8.949 11.721 1.00 26.04 ? 953 ILE A C 1 \nATOM 2010 O O . ILE A 1 261 ? 34.618 9.606 10.661 1.00 27.41 ? 953 ILE A O 1 \nATOM 2011 C CB . ILE A 1 261 ? 37.008 9.189 13.002 1.00 27.73 ? 953 ILE A CB 1 \nATOM 2012 C CG1 . ILE A 1 261 ? 37.730 10.036 14.057 1.00 41.78 ? 953 ILE A CG1 1 \nATOM 2013 C CG2 . ILE A 1 261 ? 37.658 9.347 11.637 1.00 34.33 ? 953 ILE A CG2 1 \nATOM 2014 C CD1 . ILE A 1 261 ? 37.358 11.509 14.059 1.00 44.58 ? 953 ILE A CD1 1 \nATOM 2015 N N . ASP A 1 262 ? 34.376 7.696 11.878 1.00 29.16 ? 954 ASP A N 1 \nATOM 2016 C CA . ASP A 1 262 ? 33.643 6.975 10.837 1.00 25.74 ? 954 ASP A CA 1 \nATOM 2017 C C . ASP A 1 262 ? 32.196 7.450 10.801 1.00 28.20 ? 954 ASP A C 1 \nATOM 2018 O O . ASP A 1 262 ? 31.405 7.040 11.644 1.00 28.96 ? 954 ASP A O 1 \nATOM 2019 C CB . ASP A 1 262 ? 33.681 5.473 11.100 1.00 29.26 ? 954 ASP A CB 1 \nATOM 2020 C CG . ASP A 1 262 ? 32.932 4.663 10.055 1.00 44.06 ? 954 ASP A CG 1 \nATOM 2021 O OD1 . ASP A 1 262 ? 32.812 3.447 10.275 1.00 41.62 ? 954 ASP A OD1 1 \nATOM 2022 O OD2 . ASP A 1 262 ? 32.448 5.217 9.035 1.00 48.86 ? 954 ASP A OD2 1 \nATOM 2023 N N . ALA A 1 263 ? 31.874 8.302 9.828 1.00 23.94 ? 955 ALA A N 1 \nATOM 2024 C CA . ALA A 1 263 ? 30.497 8.895 9.752 1.00 27.43 ? 955 ALA A CA 1 \nATOM 2025 C C . ALA A 1 263 ? 29.398 7.840 9.609 1.00 26.35 ? 955 ALA A C 1 \nATOM 2026 O O . ALA A 1 263 ? 28.243 8.053 10.075 1.00 28.83 ? 955 ALA A O 1 \nATOM 2027 C CB . ALA A 1 263 ? 30.425 9.862 8.584 1.00 28.45 ? 955 ALA A CB 1 \nATOM 2028 N N . ASP A 1 264 ? 29.709 6.752 8.874 1.00 26.69 ? 956 ASP A N 1 \nATOM 2029 C CA . ASP A 1 264 ? 28.798 5.640 8.673 1.00 35.35 ? 956 ASP A CA 1 \nATOM 2030 C C . ASP A 1 264 ? 28.457 4.912 9.979 1.00 40.99 ? 956 ASP A C 1 \nATOM 2031 O O . ASP A 1 264 ? 27.404 4.282 10.089 1.00 37.36 ? 956 ASP A O 1 \nATOM 2032 C CB . ASP A 1 264 ? 29.334 4.636 7.633 1.00 32.05 ? 956 ASP A CB 1 \nATOM 2033 C CG . ASP A 1 264 ? 29.294 5.172 6.206 1.00 36.02 ? 956 ASP A CG 1 \nATOM 2034 O OD1 . ASP A 1 264 ? 28.299 5.828 5.811 1.00 35.49 ? 956 ASP A OD1 1 \nATOM 2035 O OD2 . ASP A 1 264 ? 30.257 4.924 5.444 1.00 34.40 ? 956 ASP A OD2 1 \nATOM 2036 N N . SER A 1 265 ? 29.350 4.987 10.957 1.00 27.19 ? 957 SER A N 1 \nATOM 2037 C CA . SER A 1 265 ? 29.096 4.376 12.282 1.00 33.80 ? 957 SER A CA 1 \nATOM 2038 C C . SER A 1 265 ? 28.258 5.210 13.267 1.00 30.15 ? 957 SER A C 1 \nATOM 2039 O O . SER A 1 265 ? 27.822 4.689 14.294 1.00 29.39 ? 957 SER A O 1 \nATOM 2040 C CB . SER A 1 265 ? 30.420 3.971 12.943 1.00 38.98 ? 957 SER A CB 1 \nATOM 2041 O OG . SER A 1 265 ? 30.965 2.841 12.272 1.00 49.31 ? 957 SER A OG 1 \nATOM 2042 N N . ARG A 1 266 ? 28.104 6.507 12.989 1.00 24.60 ? 958 ARG A N 1 \nATOM 2043 C CA . ARG A 1 266 ? 27.427 7.421 13.874 1.00 22.34 ? 958 ARG A CA 1 \nATOM 2044 C C . ARG A 1 266 ? 25.958 6.978 13.823 1.00 26.19 ? 958 ARG A C 1 \nATOM 2045 O O . ARG A 1 266 ? 25.567 6.399 12.818 1.00 29.89 ? 958 ARG A O 1 \nATOM 2046 C CB . ARG A 1 266 ? 27.487 8.840 13.320 1.00 22.29 ? 958 ARG A CB 1 \nATOM 2047 C CG . ARG A 1 266 ? 28.877 9.471 13.416 1.00 26.42 ? 958 ARG A CG 1 \nATOM 2048 C CD . ARG A 1 266 ? 28.968 10.829 12.731 1.00 21.30 ? 958 ARG A CD 1 \nATOM 2049 N NE . ARG A 1 266 ? 30.421 11.064 12.508 1.00 23.89 ? 958 ARG A NE 1 \nATOM 2050 C CZ . ARG A 1 266 ? 30.895 11.848 11.556 1.00 24.19 ? 958 ARG A CZ 1 \nATOM 2051 N NH1 . ARG A 1 266 ? 32.214 11.950 11.405 1.00 25.65 ? 958 ARG A NH1 1 \nATOM 2052 N NH2 . ARG A 1 266 ? 30.062 12.523 10.754 1.00 24.53 ? 958 ARG A NH2 1 \nATOM 2053 N N . PRO A 1 267 ? 25.180 7.292 14.873 1.00 25.41 ? 959 PRO A N 1 \nATOM 2054 C CA . PRO A 1 267 ? 23.727 6.979 14.901 1.00 29.19 ? 959 PRO A CA 1 \nATOM 2055 C C . PRO A 1 267 ? 23.027 7.670 13.743 1.00 29.90 ? 959 PRO A C 1 \nATOM 2056 O O . PRO A 1 267 ? 23.515 8.685 13.220 1.00 29.85 ? 959 PRO A O 1 \nATOM 2057 C CB . PRO A 1 267 ? 23.253 7.611 16.218 1.00 27.16 ? 959 PRO A CB 1 \nATOM 2058 C CG . PRO A 1 267 ? 24.496 7.779 17.044 1.00 33.36 ? 959 PRO A CG 1 \nATOM 2059 C CD . PRO A 1 267 ? 25.558 8.113 16.031 1.00 25.57 ? 959 PRO A CD 1 \nATOM 2060 N N . LYS A 1 268 ? 21.865 7.156 13.352 1.00 29.28 ? 960 LYS A N 1 \nATOM 2061 C CA . LYS A 1 268 ? 21.033 7.865 12.390 1.00 30.63 ? 960 LYS A CA 1 \nATOM 2062 C C . LYS A 1 268 ? 19.933 8.641 13.110 1.00 31.70 ? 960 LYS A C 1 \nATOM 2063 O O . LYS A 1 268 ? 19.543 8.314 14.221 1.00 28.52 ? 960 LYS A O 1 \nATOM 2064 C CB . LYS A 1 268 ? 20.365 6.870 11.429 1.00 32.29 ? 960 LYS A CB 1 \nATOM 2065 C CG . LYS A 1 268 ? 21.313 5.899 10.741 1.00 36.44 ? 960 LYS A CG 1 \nATOM 2066 C CD . LYS A 1 268 ? 22.209 6.612 9.746 1.00 37.47 ? 960 LYS A CD 1 \nATOM 2067 C CE . LYS A 1 268 ? 23.462 5.782 9.499 1.00 48.14 ? 960 LYS A CE 1 \nATOM 2068 N NZ . LYS A 1 268 ? 23.127 4.504 8.814 1.00 57.44 ? 960 LYS A NZ 1 \nATOM 2069 N N . PHE A 1 269 ? 19.394 9.652 12.456 1.00 24.91 ? 961 PHE A N 1 \nATOM 2070 C CA . PHE A 1 269 ? 18.433 10.468 13.137 1.00 26.97 ? 961 PHE A CA 1 \nATOM 2071 C C . PHE A 1 269 ? 17.237 9.612 13.525 1.00 22.48 ? 961 PHE A C 1 \nATOM 2072 O O . PHE A 1 269 ? 16.689 9.800 14.595 1.00 26.85 ? 961 PHE A O 1 \nATOM 2073 C CB . PHE A 1 269 ? 18.014 11.643 12.277 1.00 33.43 ? 961 PHE A CB 1 \nATOM 2074 C CG . PHE A 1 269 ? 19.026 12.743 12.274 1.00 24.90 ? 961 PHE A CG 1 \nATOM 2075 C CD1 . PHE A 1 269 ? 19.358 13.369 13.466 1.00 23.94 ? 961 PHE A CD1 1 \nATOM 2076 C CD2 . PHE A 1 269 ? 19.630 13.143 11.093 1.00 24.13 ? 961 PHE A CD2 1 \nATOM 2077 C CE1 . PHE A 1 269 ? 20.352 14.358 13.498 1.00 26.04 ? 961 PHE A CE1 1 \nATOM 2078 C CE2 . PHE A 1 269 ? 20.554 14.165 11.109 1.00 27.17 ? 961 PHE A CE2 1 \nATOM 2079 C CZ . PHE A 1 269 ? 20.904 14.778 12.306 1.00 25.42 ? 961 PHE A CZ 1 \nATOM 2080 N N . ARG A 1 270 ? 16.913 8.620 12.705 1.00 24.16 ? 962 ARG A N 1 \nATOM 2081 C CA . ARG A 1 270 ? 15.698 7.803 12.997 1.00 32.45 ? 962 ARG A CA 1 \nATOM 2082 C C . ARG A 1 270 ? 15.979 7.043 14.307 1.00 35.66 ? 962 ARG A C 1 \nATOM 2083 O O . ARG A 1 270 ? 15.109 6.916 15.173 1.00 34.39 ? 962 ARG A O 1 \nATOM 2084 C CB . ARG A 1 270 ? 15.393 6.848 11.821 1.00 36.50 ? 962 ARG A CB 1 \nATOM 2085 C CG . ARG A 1 270 ? 16.445 5.762 11.594 1.00 48.32 ? 962 ARG A CG 1 \nATOM 2086 C CD . ARG A 1 270 ? 16.647 5.384 10.127 1.00 72.54 ? 962 ARG A CD 1 \nATOM 2087 N NE . ARG A 1 270 ? 17.491 6.337 9.388 1.00 61.27 ? 962 ARG A NE 1 \nATOM 2088 C CZ . ARG A 1 270 ? 18.232 6.030 8.322 1.00 64.43 ? 962 ARG A CZ 1 \nATOM 2089 N NH1 . ARG A 1 270 ? 18.264 4.780 7.865 1.00 77.99 ? 962 ARG A NH1 1 \nATOM 2090 N NH2 . ARG A 1 270 ? 18.964 6.968 7.716 1.00 54.18 ? 962 ARG A NH2 1 \nATOM 2091 N N . GLU A 1 271 ? 17.232 6.598 14.462 1.00 30.85 ? 963 GLU A N 1 \nATOM 2092 C CA . GLU A 1 271 ? 17.713 5.932 15.695 1.00 32.05 ? 963 GLU A CA 1 \nATOM 2093 C C . GLU A 1 271 ? 17.723 6.833 16.937 1.00 31.45 ? 963 GLU A C 1 \nATOM 2094 O O . GLU A 1 271 ? 17.424 6.388 18.040 1.00 29.54 ? 963 GLU A O 1 \nATOM 2095 C CB . GLU A 1 271 ? 19.123 5.344 15.466 1.00 37.66 ? 963 GLU A CB 1 \nATOM 2096 C CG . GLU A 1 271 ? 19.140 4.191 14.463 1.00 39.70 ? 963 GLU A CG 1 \nATOM 2097 C CD . GLU A 1 271 ? 20.539 3.774 14.022 1.00 60.45 ? 963 GLU A CD 1 \nATOM 2098 O OE1 . GLU A 1 271 ? 20.644 2.752 13.313 1.00 56.23 ? 963 GLU A OE1 1 \nATOM 2099 O OE2 . GLU A 1 271 ? 21.533 4.453 14.369 1.00 41.38 ? 963 GLU A OE2 1 \nATOM 2100 N N . LEU A 1 272 ? 18.100 8.096 16.762 1.00 25.31 ? 964 LEU A N 1 \nATOM 2101 C CA . LEU A 1 272 ? 18.184 9.032 17.859 1.00 26.32 ? 964 LEU A CA 1 \nATOM 2102 C C . LEU A 1 272 ? 16.778 9.424 18.328 1.00 26.13 ? 964 LEU A C 1 \nATOM 2103 O O . LEU A 1 272 ? 16.542 9.584 19.516 1.00 28.65 ? 964 LEU A O 1 \nATOM 2104 C CB . LEU A 1 272 ? 18.960 10.264 17.395 1.00 25.89 ? 964 LEU A CB 1 \nATOM 2105 C CG . LEU A 1 272 ? 20.460 10.072 17.111 1.00 28.60 ? 964 LEU A CG 1 \nATOM 2106 C CD1 . LEU A 1 272 ? 20.942 11.251 16.261 1.00 28.66 ? 964 LEU A CD1 1 \nATOM 2107 C CD2 . LEU A 1 272 ? 21.206 9.996 18.428 1.00 27.47 ? 964 LEU A CD2 1 \nATOM 2108 N N . ILE A 1 273 ? 15.848 9.508 17.390 1.00 28.34 ? 965 ILE A N 1 \nATOM 2109 C CA . ILE A 1 273 ? 14.435 9.745 17.762 1.00 26.46 ? 965 ILE A CA 1 \nATOM 2110 C C . ILE A 1 273 ? 13.987 8.624 18.726 1.00 30.61 ? 965 ILE A C 1 \nATOM 2111 O O . ILE A 1 273 ? 13.446 8.890 19.807 1.00 35.75 ? 965 ILE A O 1 \nATOM 2112 C CB . ILE A 1 273 ? 13.507 9.775 16.531 1.00 25.40 ? 965 ILE A CB 1 \nATOM 2113 C CG1 . ILE A 1 273 ? 13.784 10.979 15.618 1.00 25.97 ? 965 ILE A CG1 1 \nATOM 2114 C CG2 . ILE A 1 273 ? 12.032 9.811 17.000 1.00 25.35 ? 965 ILE A CG2 1 \nATOM 2115 C CD1 . ILE A 1 273 ? 13.176 10.873 14.232 1.00 30.34 ? 965 ILE A CD1 1 \nATOM 2116 N N . ILE A 1 274 ? 14.233 7.375 18.338 1.00 29.68 ? 966 ILE A N 1 \nATOM 2117 C CA . ILE A 1 274 ? 13.841 6.221 19.176 1.00 33.21 ? 966 ILE A CA 1 \nATOM 2118 C C . ILE A 1 274 ? 14.534 6.232 20.529 1.00 36.70 ? 966 ILE A C 1 \nATOM 2119 O O . ILE A 1 274 ? 13.885 6.070 21.549 1.00 31.29 ? 966 ILE A O 1 \nATOM 2120 C CB . ILE A 1 274 ? 14.066 4.878 18.435 1.00 37.90 ? 966 ILE A CB 1 \nATOM 2121 C CG1 . ILE A 1 274 ? 13.175 4.837 17.184 1.00 35.13 ? 966 ILE A CG1 1 \nATOM 2122 C CG2 . ILE A 1 274 ? 13.825 3.690 19.359 1.00 38.22 ? 966 ILE A CG2 1 \nATOM 2123 C CD1 . ILE A 1 274 ? 13.473 3.718 16.211 1.00 39.64 ? 966 ILE A CD1 1 \nATOM 2124 N N . GLU A 1 275 ? 15.857 6.436 20.546 1.00 29.87 ? 967 GLU A N 1 \nATOM 2125 C CA . GLU A 1 275 ? 16.596 6.395 21.799 1.00 30.45 ? 967 GLU A CA 1 \nATOM 2126 C C . GLU A 1 275 ? 16.229 7.514 22.744 1.00 27.32 ? 967 GLU A C 1 \nATOM 2127 O O . GLU A 1 275 ? 16.050 7.279 23.938 1.00 31.31 ? 967 GLU A O 1 \nATOM 2128 C CB . GLU A 1 275 ? 18.118 6.417 21.550 1.00 29.82 ? 967 GLU A CB 1 \nATOM 2129 C CG . GLU A 1 275 ? 18.888 6.111 22.833 1.00 41.91 ? 967 GLU A CG 1 \nATOM 2130 C CD . GLU A 1 275 ? 20.220 5.413 22.612 1.00 67.96 ? 967 GLU A CD 1 \nATOM 2131 O OE1 . GLU A 1 275 ? 20.706 5.384 21.459 1.00 72.73 ? 967 GLU A OE1 1 \nATOM 2132 O OE2 . GLU A 1 275 ? 20.787 4.895 23.605 1.00 71.12 ? 967 GLU A OE2 1 \nATOM 2133 N N . PHE A 1 276 ? 16.157 8.746 22.244 1.00 25.09 ? 968 PHE A N 1 \nATOM 2134 C CA . PHE A 1 276 ? 15.799 9.825 23.118 1.00 24.70 ? 968 PHE A CA 1 \nATOM 2135 C C . PHE A 1 276 ? 14.334 9.732 23.526 1.00 27.77 ? 968 PHE A C 1 \nATOM 2136 O O . PHE A 1 276 ? 13.984 10.202 24.602 1.00 33.79 ? 968 PHE A O 1 \nATOM 2137 C CB . PHE A 1 276 ? 16.098 11.200 22.519 1.00 29.04 ? 968 PHE A CB 1 \nATOM 2138 C CG . PHE A 1 276 ? 17.534 11.615 22.687 1.00 26.08 ? 968 PHE A CG 1 \nATOM 2139 C CD1 . PHE A 1 276 ? 17.986 12.107 23.923 1.00 28.02 ? 968 PHE A CD1 1 \nATOM 2140 C CD2 . PHE A 1 276 ? 18.414 11.523 21.643 1.00 31.48 ? 968 PHE A CD2 1 \nATOM 2141 C CE1 . PHE A 1 276 ? 19.312 12.484 24.098 1.00 37.91 ? 968 PHE A CE1 1 \nATOM 2142 C CE2 . PHE A 1 276 ? 19.764 11.894 21.814 1.00 28.57 ? 968 PHE A CE2 1 \nATOM 2143 C CZ . PHE A 1 276 ? 20.193 12.375 23.040 1.00 28.34 ? 968 PHE A CZ 1 \nATOM 2144 N N . SER A 1 277 ? 13.498 9.131 22.682 1.00 30.87 ? 969 SER A N 1 \nATOM 2145 C CA . SER A 1 277 ? 12.068 8.965 23.060 1.00 33.85 ? 969 SER A CA 1 \nATOM 2146 C C . SER A 1 277 ? 11.898 7.999 24.228 1.00 33.17 ? 969 SER A C 1 \nATOM 2147 O O . SER A 1 277 ? 11.093 8.243 25.128 1.00 34.84 ? 969 SER A O 1 \nATOM 2148 C CB . SER A 1 277 ? 11.181 8.532 21.883 1.00 32.06 ? 969 SER A CB 1 \nATOM 2149 O OG . SER A 1 277 ? 10.991 9.585 20.955 1.00 33.02 ? 969 SER A OG 1 \nATOM 2150 N N . LYS A 1 278 ? 12.652 6.908 24.205 1.00 32.14 ? 970 LYS A N 1 \nATOM 2151 C CA . LYS A 1 278 ? 12.703 5.961 25.309 1.00 37.37 ? 970 LYS A CA 1 \nATOM 2152 C C . LYS A 1 278 ? 13.193 6.609 26.609 1.00 39.04 ? 970 LYS A C 1 \nATOM 2153 O O . LYS A 1 278 ? 12.638 6.378 27.685 1.00 34.22 ? 970 LYS A O 1 \nATOM 2154 C CB . LYS A 1 278 ? 13.586 4.781 24.930 1.00 44.71 ? 970 LYS A CB 1 \nATOM 2155 C CG . LYS A 1 278 ? 13.514 3.603 25.888 1.00 54.40 ? 970 LYS A CG 1 \nATOM 2156 C CD . LYS A 1 278 ? 14.842 2.871 25.914 1.00 66.75 ? 970 LYS A CD 1 \nATOM 2157 C CE . LYS A 1 278 ? 15.858 3.647 26.735 1.00 61.14 ? 970 LYS A CE 1 \nATOM 2158 N NZ . LYS A 1 278 ? 17.221 3.578 26.145 1.00 57.30 ? 970 LYS A NZ 1 \nATOM 2159 N N . MET A 1 279 ? 14.221 7.447 26.507 1.00 34.27 ? 971 MET A N 1 \nATOM 2160 C CA . MET A 1 279 ? 14.714 8.170 27.667 1.00 38.53 ? 971 MET A CA 1 \nATOM 2161 C C . MET A 1 279 ? 13.699 9.182 28.205 1.00 36.40 ? 971 MET A C 1 \nATOM 2162 O O . MET A 1 279 ? 13.541 9.326 29.421 1.00 37.01 ? 971 MET A O 1 \nATOM 2163 C CB . MET A 1 279 ? 16.045 8.860 27.343 1.00 32.59 ? 971 MET A CB 1 \nATOM 2164 C CG . MET A 1 279 ? 17.187 7.876 27.201 1.00 37.63 ? 971 MET A CG 1 \nATOM 2165 S SD . MET A 1 279 ? 18.730 8.693 26.743 1.00 42.65 ? 971 MET A SD 1 \nATOM 2166 C CE . MET A 1 279 ? 19.755 7.243 26.504 1.00 41.03 ? 971 MET A CE 1 \nATOM 2167 N N . ALA A 1 280 ? 13.022 9.881 27.306 1.00 35.63 ? 972 ALA A N 1 \nATOM 2168 C CA . ALA A 1 280 ? 12.009 10.863 27.707 1.00 40.29 ? 972 ALA A CA 1 \nATOM 2169 C C . ALA A 1 280 ? 10.846 10.214 28.471 1.00 39.74 ? 972 ALA A C 1 \nATOM 2170 O O . ALA A 1 280 ? 10.048 10.905 29.100 1.00 41.83 ? 972 ALA A O 1 \nATOM 2171 C CB . ALA A 1 280 ? 11.484 11.612 26.501 1.00 36.65 ? 972 ALA A CB 1 \nATOM 2172 N N . ARG A 1 281 ? 10.763 8.890 28.411 1.00 38.80 ? 973 ARG A N 1 \nATOM 2173 C CA . ARG A 1 281 ? 9.721 8.145 29.122 1.00 45.17 ? 973 ARG A CA 1 \nATOM 2174 C C . ARG A 1 281 ? 10.071 7.938 30.587 1.00 46.95 ? 973 ARG A C 1 \nATOM 2175 O O . ARG A 1 281 ? 9.193 7.680 31.408 1.00 46.82 ? 973 ARG A O 1 \nATOM 2176 C CB . ARG A 1 281 ? 9.460 6.799 28.448 1.00 49.11 ? 973 ARG A CB 1 \nATOM 2177 C CG . ARG A 1 281 ? 8.497 6.894 27.281 1.00 63.00 ? 973 ARG A CG 1 \nATOM 2178 C CD . ARG A 1 281 ? 8.006 5.523 26.852 1.00 68.86 ? 973 ARG A CD 1 \nATOM 2179 N NE . ARG A 1 281 ? 8.972 4.845 25.992 1.00 74.80 ? 973 ARG A NE 1 \nATOM 2180 C CZ . ARG A 1 281 ? 9.147 5.112 24.699 1.00 74.25 ? 973 ARG A CZ 1 \nATOM 2181 N NH1 . ARG A 1 281 ? 8.426 6.054 24.094 1.00 60.78 ? 973 ARG A NH1 1 \nATOM 2182 N NH2 . ARG A 1 281 ? 10.052 4.439 24.007 1.00 62.58 ? 973 ARG A NH2 1 \nATOM 2183 N N . ASP A 1 282 ? 11.356 8.059 30.913 1.00 44.27 ? 974 ASP A N 1 \nATOM 2184 C CA . ASP A 1 282 ? 11.825 7.902 32.281 1.00 40.09 ? 974 ASP A CA 1 \nATOM 2185 C C . ASP A 1 282 ? 12.989 8.886 32.485 1.00 43.22 ? 974 ASP A C 1 \nATOM 2186 O O . ASP A 1 282 ? 14.125 8.467 32.685 1.00 44.56 ? 974 ASP A O 1 \nATOM 2187 C CB . ASP A 1 282 ? 12.254 6.440 32.496 1.00 49.38 ? 974 ASP A CB 1 \nATOM 2188 C CG . ASP A 1 282 ? 12.701 6.146 33.922 1.00 50.59 ? 974 ASP A CG 1 \nATOM 2189 O OD1 . ASP A 1 282 ? 12.452 6.968 34.825 1.00 48.82 ? 974 ASP A OD1 1 \nATOM 2190 O OD2 . ASP A 1 282 ? 13.317 5.076 34.134 1.00 59.91 ? 974 ASP A OD2 1 \nATOM 2191 N N . PRO A 1 283 ? 12.706 10.199 32.427 1.00 47.74 ? 975 PRO A N 1 \nATOM 2192 C CA . PRO A 1 283 ? 13.787 11.200 32.291 1.00 38.86 ? 975 PRO A CA 1 \nATOM 2193 C C . PRO A 1 283 ? 14.784 11.235 33.452 1.00 49.16 ? 975 PRO A C 1 \nATOM 2194 O O . PRO A 1 283 ? 15.972 11.511 33.256 1.00 35.53 ? 975 PRO A O 1 \nATOM 2195 C CB . PRO A 1 283 ? 13.033 12.530 32.189 1.00 42.70 ? 975 PRO A CB 1 \nATOM 2196 C CG . PRO A 1 283 ? 11.678 12.271 32.763 1.00 40.71 ? 975 PRO A CG 1 \nATOM 2197 C CD . PRO A 1 283 ? 11.371 10.826 32.491 1.00 37.78 ? 975 PRO A CD 1 \nATOM 2198 N N . GLN A 1 284 ? 14.305 10.943 34.654 1.00 46.37 ? 976 GLN A N 1 \nATOM 2199 C CA . GLN A 1 284 ? 15.132 11.037 35.844 1.00 44.65 ? 976 GLN A CA 1 \nATOM 2200 C C . GLN A 1 284 ? 16.125 9.898 35.976 1.00 44.99 ? 976 GLN A C 1 \nATOM 2201 O O . GLN A 1 284 ? 17.103 10.018 36.712 1.00 46.21 ? 976 GLN A O 1 \nATOM 2202 C CB . GLN A 1 284 ? 14.268 11.228 37.092 1.00 49.69 ? 976 GLN A CB 1 \nATOM 2203 C CG . GLN A 1 284 ? 13.475 12.530 37.034 1.00 56.06 ? 976 GLN A CG 1 \nATOM 2204 C CD . GLN A 1 284 ? 12.517 12.716 38.191 1.00 63.88 ? 976 GLN A CD 1 \nATOM 2205 O OE1 . GLN A 1 284 ? 11.316 12.930 37.993 1.00 71.50 ? 976 GLN A OE1 1 \nATOM 2206 N NE2 . GLN A 1 284 ? 13.039 12.644 39.403 1.00 50.50 ? 976 GLN A NE2 1 \nATOM 2207 N N . ARG A 1 285 ? 15.884 8.808 35.243 1.00 42.74 ? 977 ARG A N 1 \nATOM 2208 C CA . ARG A 1 285 ? 16.888 7.757 35.069 1.00 45.63 ? 977 ARG A CA 1 \nATOM 2209 C C . ARG A 1 285 ? 18.112 8.246 34.274 1.00 43.53 ? 977 ARG A C 1 \nATOM 2210 O O . ARG A 1 285 ? 19.234 7.782 34.496 1.00 42.89 ? 977 ARG A O 1 \nATOM 2211 C CB . ARG A 1 285 ? 16.281 6.535 34.364 1.00 45.27 ? 977 ARG A CB 1 \nATOM 2212 C CG . ARG A 1 285 ? 17.132 5.283 34.472 1.00 46.22 ? 977 ARG A CG 1 \nATOM 2213 C CD . ARG A 1 285 ? 16.596 4.107 33.671 1.00 54.73 ? 977 ARG A CD 1 \nATOM 2214 N NE . ARG A 1 285 ? 17.709 3.226 33.297 1.00 57.38 ? 977 ARG A NE 1 \nATOM 2215 C CZ . ARG A 1 285 ? 17.623 2.135 32.532 1.00 64.89 ? 977 ARG A CZ 1 \nATOM 2216 N NH1 . ARG A 1 285 ? 18.720 1.429 32.275 1.00 58.85 ? 977 ARG A NH1 1 \nATOM 2217 N NH2 . ARG A 1 285 ? 16.465 1.744 32.016 1.00 46.96 ? 977 ARG A NH2 1 \nATOM 2218 N N . TYR A 1 286 ? 17.904 9.187 33.354 1.00 45.93 ? 978 TYR A N 1 \nATOM 2219 C CA . TYR A 1 286 ? 18.962 9.530 32.383 1.00 38.90 ? 978 TYR A CA 1 \nATOM 2220 C C . TYR A 1 286 ? 19.665 10.872 32.595 1.00 39.82 ? 978 TYR A C 1 \nATOM 2221 O O . TYR A 1 286 ? 20.848 11.039 32.216 1.00 32.24 ? 978 TYR A O 1 \nATOM 2222 C CB . TYR A 1 286 ? 18.411 9.401 30.966 1.00 35.50 ? 978 TYR A CB 1 \nATOM 2223 C CG . TYR A 1 286 ? 17.969 7.990 30.665 1.00 38.93 ? 978 TYR A CG 1 \nATOM 2224 C CD1 . TYR A 1 286 ? 16.619 7.628 30.743 1.00 41.70 ? 978 TYR A CD1 1 \nATOM 2225 C CD2 . TYR A 1 286 ? 18.900 7.009 30.321 1.00 39.01 ? 978 TYR A CD2 1 \nATOM 2226 C CE1 . TYR A 1 286 ? 16.211 6.324 30.474 1.00 40.99 ? 978 TYR A CE1 1 \nATOM 2227 C CE2 . TYR A 1 286 ? 18.500 5.699 30.064 1.00 43.77 ? 978 TYR A CE2 1 \nATOM 2228 C CZ . TYR A 1 286 ? 17.154 5.369 30.140 1.00 47.30 ? 978 TYR A CZ 1 \nATOM 2229 O OH . TYR A 1 286 ? 16.756 4.081 29.863 1.00 43.86 ? 978 TYR A OH 1 \nATOM 2230 N N . LEU A 1 287 ? 18.938 11.822 33.181 1.00 32.08 ? 979 LEU A N 1 \nATOM 2231 C CA . LEU A 1 287 ? 19.534 13.110 33.578 1.00 32.15 ? 979 LEU A CA 1 \nATOM 2232 C C . LEU A 1 287 ? 19.379 13.331 35.074 1.00 37.34 ? 979 LEU A C 1 \nATOM 2233 O O . LEU A 1 287 ? 18.300 13.095 35.640 1.00 40.97 ? 979 LEU A O 1 \nATOM 2234 C CB . LEU A 1 287 ? 18.920 14.286 32.787 1.00 32.90 ? 979 LEU A CB 1 \nATOM 2235 C CG . LEU A 1 287 ? 19.028 14.222 31.257 1.00 37.92 ? 979 LEU A CG 1 \nATOM 2236 C CD1 . LEU A 1 287 ? 18.289 15.375 30.604 1.00 34.76 ? 979 LEU A CD1 1 \nATOM 2237 C CD2 . LEU A 1 287 ? 20.481 14.218 30.787 1.00 30.23 ? 979 LEU A CD2 1 \nATOM 2238 N N . VAL A 1 288 ? 20.460 13.780 35.710 1.00 35.35 ? 980 VAL A N 1 \nATOM 2239 C CA . VAL A 1 288 ? 20.490 14.006 37.150 1.00 41.00 ? 980 VAL A CA 1 \nATOM 2240 C C . VAL A 1 288 ? 20.533 15.506 37.424 1.00 40.10 ? 980 VAL A C 1 \nATOM 2241 O O . VAL A 1 288 ? 21.585 16.134 37.309 1.00 40.40 ? 980 VAL A O 1 \nATOM 2242 C CB . VAL A 1 288 ? 21.692 13.297 37.827 1.00 41.35 ? 980 VAL A CB 1 \nATOM 2243 C CG1 . VAL A 1 288 ? 21.594 13.413 39.343 1.00 47.67 ? 980 VAL A CG1 1 \nATOM 2244 C CG2 . VAL A 1 288 ? 21.748 11.832 37.428 1.00 44.11 ? 980 VAL A CG2 1 \nATOM 2245 N N . ILE A 1 289 ? 19.380 16.067 37.785 1.00 38.21 ? 981 ILE A N 1 \nATOM 2246 C CA . ILE A 1 289 ? 19.229 17.500 38.005 1.00 41.44 ? 981 ILE A CA 1 \nATOM 2247 C C . ILE A 1 289 ? 18.665 17.708 39.411 1.00 50.08 ? 981 ILE A C 1 \nATOM 2248 O O . ILE A 1 289 ? 17.603 17.179 39.731 1.00 46.16 ? 981 ILE A O 1 \nATOM 2249 C CB . ILE A 1 289 ? 18.273 18.126 36.956 1.00 43.63 ? 981 ILE A CB 1 \nATOM 2250 C CG1 . ILE A 1 289 ? 18.811 17.912 35.526 1.00 40.45 ? 981 ILE A CG1 1 \nATOM 2251 C CG2 . ILE A 1 289 ? 18.020 19.603 37.244 1.00 44.86 ? 981 ILE A CG2 1 \nATOM 2252 C CD1 . ILE A 1 289 ? 17.808 18.200 34.428 1.00 44.41 ? 981 ILE A CD1 1 \nATOM 2253 N N . GLN A 1 290 ? 19.367 18.469 40.247 1.00 50.83 ? 982 GLN A N 1 \nATOM 2254 C CA . GLN A 1 290 ? 18.880 18.741 41.600 1.00 51.62 ? 982 GLN A CA 1 \nATOM 2255 C C . GLN A 1 290 ? 17.574 19.526 41.551 1.00 55.46 ? 982 GLN A C 1 \nATOM 2256 O O . GLN A 1 290 ? 17.480 20.552 40.874 1.00 57.81 ? 982 GLN A O 1 \nATOM 2257 C CB . GLN A 1 290 ? 19.919 19.503 42.417 1.00 66.60 ? 982 GLN A CB 1 \nATOM 2258 C CG . GLN A 1 290 ? 19.629 19.481 43.912 1.00 84.41 ? 982 GLN A CG 1 \nATOM 2259 C CD . GLN A 1 290 ? 20.596 20.323 44.721 1.00 91.98 ? 982 GLN A CD 1 \nATOM 2260 O OE1 . GLN A 1 290 ? 20.963 21.428 44.321 1.00 79.66 ? 982 GLN A OE1 1 \nATOM 2261 N NE2 . GLN A 1 290 ? 21.005 19.805 45.874 1.00 98.17 ? 982 GLN A NE2 1 \nATOM 2262 N N . GLY A 1 291 ? 16.564 19.031 42.260 1.00 57.34 ? 983 GLY A N 1 \nATOM 2263 C CA . GLY A 1 291 ? 15.272 19.707 42.324 1.00 58.56 ? 983 GLY A CA 1 \nATOM 2264 C C . GLY A 1 291 ? 14.382 19.380 41.140 1.00 64.74 ? 983 GLY A C 1 \nATOM 2265 O O . GLY A 1 291 ? 13.302 19.957 40.991 1.00 57.96 ? 983 GLY A O 1 \nATOM 2266 N N . ASP A 1 292 ? 14.829 18.429 40.319 1.00 58.41 ? 984 ASP A N 1 \nATOM 2267 C CA . ASP A 1 292 ? 14.153 18.052 39.082 1.00 50.51 ? 984 ASP A CA 1 \nATOM 2268 C C . ASP A 1 292 ? 12.631 17.979 39.234 1.00 54.41 ? 984 ASP A C 1 \nATOM 2269 O O . ASP A 1 292 ? 11.900 18.579 38.444 1.00 54.82 ? 984 ASP A O 1 \nATOM 2270 C CB . ASP A 1 292 ? 14.706 16.714 38.572 1.00 41.18 ? 984 ASP A CB 1 \nATOM 2271 C CG . ASP A 1 292 ? 14.494 16.510 37.081 1.00 51.31 ? 984 ASP A CG 1 \nATOM 2272 O OD1 . ASP A 1 292 ? 13.942 17.406 36.407 1.00 55.80 ? 984 ASP A OD1 1 \nATOM 2273 O OD2 . ASP A 1 292 ? 14.890 15.434 36.583 1.00 53.67 ? 984 ASP A OD2 1 \nATOM 2274 N N . GLU A 1 293 ? 12.168 17.250 40.250 1.00 61.44 ? 985 GLU A N 1 \nATOM 2275 C CA . GLU A 1 293 ? 10.734 17.068 40.514 1.00 75.39 ? 985 GLU A CA 1 \nATOM 2276 C C . GLU A 1 293 ? 9.997 18.398 40.742 1.00 70.39 ? 985 GLU A C 1 \nATOM 2277 O O . GLU A 1 293 ? 8.878 18.582 40.260 1.00 71.81 ? 985 GLU A O 1 \nATOM 2278 C CB . GLU A 1 293 ? 10.529 16.127 41.710 1.00 87.47 ? 985 GLU A CB 1 \nATOM 2279 C CG . GLU A 1 293 ? 9.132 15.530 41.829 1.00 106.30 ? 985 GLU A CG 1 \nATOM 2280 C CD . GLU A 1 293 ? 8.910 14.338 40.911 1.00 119.07 ? 985 GLU A CD 1 \nATOM 2281 O OE1 . GLU A 1 293 ? 9.723 13.387 40.948 1.00 109.24 ? 985 GLU A OE1 1 \nATOM 2282 O OE2 . GLU A 1 293 ? 7.911 14.345 40.160 1.00 120.64 ? 985 GLU A OE2 1 \nATOM 2283 N N . ARG A 1 294 ? 10.636 19.315 41.465 1.00 70.04 ? 986 ARG A N 1 \nATOM 2284 C CA . ARG A 1 294 ? 10.063 20.626 41.770 1.00 74.49 ? 986 ARG A CA 1 \nATOM 2285 C C . ARG A 1 294 ? 10.618 21.720 40.852 1.00 82.24 ? 986 ARG A C 1 \nATOM 2286 O O . ARG A 1 294 ? 11.241 22.679 41.317 1.00 98.92 ? 986 ARG A O 1 \nATOM 2287 C CB . ARG A 1 294 ? 10.291 20.990 43.249 1.00 78.16 ? 986 ARG A CB 1 \nATOM 2288 C CG . ARG A 1 294 ? 9.347 20.310 44.236 1.00 89.52 ? 986 ARG A CG 1 \nATOM 2289 C CD . ARG A 1 294 ? 9.857 18.947 44.685 1.00 91.30 ? 986 ARG A CD 1 \nATOM 2290 N NE . ARG A 1 294 ? 10.823 19.046 45.780 1.00 105.11 ? 986 ARG A NE 1 \nATOM 2291 C CZ . ARG A 1 294 ? 10.561 18.740 47.050 1.00 116.04 ? 986 ARG A CZ 1 \nATOM 2292 N NH1 . ARG A 1 294 ? 9.358 18.302 47.404 1.00 113.63 ? 986 ARG A NH1 1 \nATOM 2293 N NH2 . ARG A 1 294 ? 11.509 18.865 47.973 1.00 102.80 ? 986 ARG A NH2 1 \nATOM 2294 N N . MET A 1 295 ? 10.395 21.570 39.548 1.00 81.34 ? 987 MET A N 1 \nATOM 2295 C CA . MET A 1 295 ? 10.823 22.582 38.579 1.00 74.92 ? 987 MET A CA 1 \nATOM 2296 C C . MET A 1 295 ? 9.706 23.056 37.667 1.00 78.05 ? 987 MET A C 1 \nATOM 2297 O O . MET A 1 295 ? 9.112 22.272 36.924 1.00 65.68 ? 987 MET A O 1 \nATOM 2298 C CB . MET A 1 295 ? 12.022 22.112 37.756 1.00 80.36 ? 987 MET A CB 1 \nATOM 2299 C CG . MET A 1 295 ? 13.333 22.695 38.244 1.00 67.52 ? 987 MET A CG 1 \nATOM 2300 S SD . MET A 1 295 ? 14.745 21.861 37.521 1.00 74.21 ? 987 MET A SD 1 \nATOM 2301 C CE . MET A 1 295 ? 16.070 22.517 38.532 1.00 74.56 ? 987 MET A CE 1 \nATOM 2302 N N . HIS A 1 296 ? 9.450 24.356 37.730 1.00 94.20 ? 988 HIS A N 1 \nATOM 2303 C CA . HIS A 1 296 ? 8.340 24.980 37.028 1.00 94.97 ? 988 HIS A CA 1 \nATOM 2304 C C . HIS A 1 296 ? 8.871 25.986 36.014 1.00 76.90 ? 988 HIS A C 1 \nATOM 2305 O O . HIS A 1 296 ? 9.596 26.914 36.376 1.00 78.04 ? 988 HIS A O 1 \nATOM 2306 C CB . HIS A 1 296 ? 7.414 25.673 38.040 1.00 115.88 ? 988 HIS A CB 1 \nATOM 2307 C CG . HIS A 1 296 ? 8.135 26.558 39.016 1.00 132.41 ? 988 HIS A CG 1 \nATOM 2308 N ND1 . HIS A 1 296 ? 8.836 26.062 40.095 1.00 126.55 ? 988 HIS A ND1 1 \nATOM 2309 C CD2 . HIS A 1 296 ? 8.264 27.905 39.071 1.00 128.35 ? 988 HIS A CD2 1 \nATOM 2310 C CE1 . HIS A 1 296 ? 9.366 27.065 40.772 1.00 120.82 ? 988 HIS A CE1 1 \nATOM 2311 N NE2 . HIS A 1 296 ? 9.034 28.194 40.172 1.00 121.40 ? 988 HIS A NE2 1 \nATOM 2312 N N . LEU A 1 297 ? 8.529 25.798 34.744 1.00 61.44 ? 989 LEU A N 1 \nATOM 2313 C CA . LEU A 1 297 ? 8.944 26.763 33.728 1.00 72.63 ? 989 LEU A CA 1 \nATOM 2314 C C . LEU A 1 297 ? 8.065 28.009 33.747 1.00 85.75 ? 989 LEU A C 1 \nATOM 2315 O O . LEU A 1 297 ? 6.834 27.894 33.749 1.00 68.16 ? 989 LEU A O 1 \nATOM 2316 C CB . LEU A 1 297 ? 8.997 26.145 32.325 1.00 67.66 ? 989 LEU A CB 1 \nATOM 2317 C CG . LEU A 1 297 ? 10.311 25.454 31.936 1.00 67.91 ? 989 LEU A CG 1 \nATOM 2318 C CD1 . LEU A 1 297 ? 10.234 25.008 30.488 1.00 65.81 ? 989 LEU A CD1 1 \nATOM 2319 C CD2 . LEU A 1 297 ? 11.531 26.344 32.152 1.00 50.84 ? 989 LEU A CD2 1 \nATOM 2320 N N . PRO A 1 298 ? 8.700 29.202 33.773 1.00 86.52 ? 990 PRO A N 1 \nATOM 2321 C CA . PRO A 1 298 ? 7.985 30.476 33.786 1.00 89.95 ? 990 PRO A CA 1 \nATOM 2322 C C . PRO A 1 298 ? 7.082 30.614 32.576 1.00 85.79 ? 990 PRO A C 1 \nATOM 2323 O O . PRO A 1 298 ? 7.395 30.085 31.505 1.00 80.02 ? 990 PRO A O 1 \nATOM 2324 C CB . PRO A 1 298 ? 9.110 31.515 33.708 1.00 92.65 ? 990 PRO A CB 1 \nATOM 2325 C CG . PRO A 1 298 ? 10.305 30.821 34.259 1.00 91.35 ? 990 PRO A CG 1 \nATOM 2326 C CD . PRO A 1 298 ? 10.161 29.400 33.802 1.00 83.38 ? 990 PRO A CD 1 \nATOM 2327 N N . SER A 1 299 ? 5.965 31.312 32.762 1.00 84.48 ? 991 SER A N 1 \nATOM 2328 C CA . SER A 1 299 ? 5.051 31.639 31.676 1.00 93.44 ? 991 SER A CA 1 \nATOM 2329 C C . SER A 1 299 ? 5.854 32.156 30.482 1.00 92.51 ? 991 SER A C 1 \nATOM 2330 O O . SER A 1 299 ? 6.660 33.080 30.632 1.00 91.73 ? 991 SER A O 1 \nATOM 2331 C CB . SER A 1 299 ? 4.032 32.684 32.138 1.00 98.17 ? 991 SER A CB 1 \nATOM 2332 O OG . SER A 1 299 ? 3.057 32.924 31.141 1.00 92.32 ? 991 SER A OG 1 \nATOM 2333 N N . PRO A 1 300 ? 5.655 31.541 29.299 1.00 96.28 ? 992 PRO A N 1 \nATOM 2334 C CA . PRO A 1 300 ? 6.471 31.836 28.118 1.00 93.22 ? 992 PRO A CA 1 \nATOM 2335 C C . PRO A 1 300 ? 6.521 33.327 27.773 1.00 101.42 ? 992 PRO A C 1 \nATOM 2336 O O . PRO A 1 300 ? 7.588 33.832 27.417 1.00 105.40 ? 992 PRO A O 1 \nATOM 2337 C CB . PRO A 1 300 ? 5.781 31.044 26.999 1.00 89.86 ? 992 PRO A CB 1 \nATOM 2338 C CG . PRO A 1 300 ? 5.037 29.959 27.697 1.00 95.22 ? 992 PRO A CG 1 \nATOM 2339 C CD . PRO A 1 300 ? 4.610 30.540 29.012 1.00 100.69 ? 992 PRO A CD 1 \nATOM 2340 N N . THR A 1 301 ? 5.386 34.019 27.896 1.00 81.78 ? 993 THR A N 1 \nATOM 2341 C CA . THR A 1 301 ? 5.290 35.439 27.527 1.00 91.40 ? 993 THR A CA 1 \nATOM 2342 C C . THR A 1 301 ? 5.809 36.395 28.607 1.00 106.34 ? 993 THR A C 1 \nATOM 2343 O O . THR A 1 301 ? 5.974 37.594 28.355 1.00 103.45 ? 993 THR A O 1 \nATOM 2344 C CB . THR A 1 301 ? 3.857 35.833 27.114 1.00 90.34 ? 993 THR A CB 1 \nATOM 2345 O OG1 . THR A 1 301 ? 2.911 35.171 27.963 1.00 97.10 ? 993 THR A OG1 1 \nATOM 2346 C CG2 . THR A 1 301 ? 3.590 35.439 25.666 1.00 85.30 ? 993 THR A CG2 1 \nATOM 2347 N N . ASP A 1 302 ? 6.066 35.861 29.800 1.00 111.43 ? 994 ASP A N 1 \nATOM 2348 C CA . ASP A 1 302 ? 6.711 36.622 30.869 1.00 102.16 ? 994 ASP A CA 1 \nATOM 2349 C C . ASP A 1 302 ? 8.228 36.642 30.686 1.00 91.62 ? 994 ASP A C 1 \nATOM 2350 O O . ASP A 1 302 ? 8.942 37.286 31.459 1.00 91.58 ? 994 ASP A O 1 \nATOM 2351 C CB . ASP A 1 302 ? 6.352 36.050 32.248 1.00 102.74 ? 994 ASP A CB 1 \nATOM 2352 C CG . ASP A 1 302 ? 4.889 36.266 32.618 1.00 109.76 ? 994 ASP A CG 1 \nATOM 2353 O OD1 . ASP A 1 302 ? 4.078 36.622 31.733 1.00 97.63 ? 994 ASP A OD1 1 \nATOM 2354 O OD2 . ASP A 1 302 ? 4.551 36.072 33.807 1.00 97.59 ? 994 ASP A OD2 1 \nATOM 2355 N N . SER A 1 303 ? 8.716 35.937 29.664 1.00 82.22 ? 995 SER A N 1 \nATOM 2356 C CA . SER A 1 303 ? 10.146 35.925 29.364 1.00 72.60 ? 995 SER A CA 1 \nATOM 2357 C C . SER A 1 303 ? 10.578 37.299 28.878 1.00 75.53 ? 995 SER A C 1 \nATOM 2358 O O . SER A 1 303 ? 9.802 38.037 28.253 1.00 70.58 ? 995 SER A O 1 \nATOM 2359 C CB . SER A 1 303 ? 10.526 34.838 28.336 1.00 76.40 ? 995 SER A CB 1 \nATOM 2360 O OG . SER A 1 303 ? 10.649 35.348 27.010 1.00 56.44 ? 995 SER A OG 1 \nATOM 2361 N N . ASN A 1 304 ? 11.823 37.631 29.181 1.00 70.57 ? 996 ASN A N 1 \nATOM 2362 C CA . ASN A 1 304 ? 12.399 38.885 28.758 1.00 73.99 ? 996 ASN A CA 1 \nATOM 2363 C C . ASN A 1 304 ? 12.426 38.999 27.234 1.00 75.58 ? 996 ASN A C 1 \nATOM 2364 O O . ASN A 1 304 ? 12.012 40.027 26.679 1.00 73.07 ? 996 ASN A O 1 \nATOM 2365 C CB . ASN A 1 304 ? 13.791 39.042 29.372 1.00 63.63 ? 996 ASN A CB 1 \nATOM 2366 C CG . ASN A 1 304 ? 13.744 39.179 30.887 1.00 74.59 ? 996 ASN A CG 1 \nATOM 2367 O OD1 . ASN A 1 304 ? 12.766 39.689 31.448 1.00 68.42 ? 996 ASN A OD1 1 \nATOM 2368 N ND2 . ASN A 1 304 ? 14.799 38.723 31.558 1.00 60.65 ? 996 ASN A ND2 1 \nATOM 2369 N N . PHE A 1 305 ? 12.862 37.923 26.570 1.00 67.63 ? 997 PHE A N 1 \nATOM 2370 C CA . PHE A 1 305 ? 13.005 37.907 25.112 1.00 45.42 ? 997 PHE A CA 1 \nATOM 2371 C C . PHE A 1 305 ? 11.723 38.287 24.381 1.00 51.92 ? 997 PHE A C 1 \nATOM 2372 O O . PHE A 1 305 ? 11.767 39.103 23.461 1.00 62.38 ? 997 PHE A O 1 \nATOM 2373 C CB . PHE A 1 305 ? 13.574 36.568 24.597 1.00 55.03 ? 997 PHE A CB 1 \nATOM 2374 C CG . PHE A 1 305 ? 14.234 36.683 23.247 1.00 45.20 ? 997 PHE A CG 1 \nATOM 2375 C CD1 . PHE A 1 305 ? 13.478 36.619 22.079 1.00 41.23 ? 997 PHE A CD1 1 \nATOM 2376 C CD2 . PHE A 1 305 ? 15.601 36.904 23.143 1.00 48.66 ? 997 PHE A CD2 1 \nATOM 2377 C CE1 . PHE A 1 305 ? 14.070 36.757 20.831 1.00 36.44 ? 997 PHE A CE1 1 \nATOM 2378 C CE2 . PHE A 1 305 ? 16.208 37.047 21.903 1.00 48.46 ? 997 PHE A CE2 1 \nATOM 2379 C CZ . PHE A 1 305 ? 15.445 36.979 20.742 1.00 37.79 ? 997 PHE A CZ 1 \nATOM 2380 N N . TYR A 1 306 ? 10.589 37.715 24.789 1.00 43.98 ? 998 TYR A N 1 \nATOM 2381 C CA . TYR A 1 306 ? 9.319 37.981 24.111 1.00 50.06 ? 998 TYR A CA 1 \nATOM 2382 C C . TYR A 1 306 ? 8.932 39.466 24.207 1.00 52.66 ? 998 TYR A C 1 \nATOM 2383 O O . TYR A 1 306 ? 8.694 40.110 23.181 1.00 50.37 ? 998 TYR A O 1 \nATOM 2384 C CB . TYR A 1 306 ? 8.182 37.087 24.631 1.00 50.26 ? 998 TYR A CB 1 \nATOM 2385 C CG . TYR A 1 306 ? 6.861 37.329 23.917 1.00 53.59 ? 998 TYR A CG 1 \nATOM 2386 C CD1 . TYR A 1 306 ? 6.503 36.573 22.808 1.00 65.72 ? 998 TYR A CD1 1 \nATOM 2387 C CD2 . TYR A 1 306 ? 5.975 38.320 24.349 1.00 66.46 ? 998 TYR A CD2 1 \nATOM 2388 C CE1 . TYR A 1 306 ? 5.305 36.785 22.146 1.00 71.54 ? 998 TYR A CE1 1 \nATOM 2389 C CE2 . TYR A 1 306 ? 4.776 38.545 23.691 1.00 67.06 ? 998 TYR A CE2 1 \nATOM 2390 C CZ . TYR A 1 306 ? 4.445 37.775 22.590 1.00 81.38 ? 998 TYR A CZ 1 \nATOM 2391 O OH . TYR A 1 306 ? 3.255 37.987 21.927 1.00 83.86 ? 998 TYR A OH 1 \nATOM 2392 N N . ARG A 1 307 ? 8.874 39.991 25.432 1.00 56.42 ? 999 ARG A N 1 \nATOM 2393 C CA . ARG A 1 307 ? 8.503 41.399 25.661 1.00 66.76 ? 999 ARG A CA 1 \nATOM 2394 C C . ARG A 1 307 ? 9.413 42.378 24.905 1.00 72.09 ? 999 ARG A C 1 \nATOM 2395 O O . ARG A 1 307 ? 8.908 43.316 24.264 1.00 54.14 ? 999 ARG A O 1 \nATOM 2396 C CB . ARG A 1 307 ? 8.470 41.731 27.157 1.00 75.45 ? 999 ARG A CB 1 \nATOM 2397 C CG . ARG A 1 307 ? 7.216 41.268 27.883 1.00 74.94 ? 999 ARG A CG 1 \nATOM 2398 C CD . ARG A 1 307 ? 7.080 41.993 29.214 1.00 92.57 ? 999 ARG A CD 1 \nATOM 2399 N NE . ARG A 1 307 ? 5.868 41.637 29.954 1.00 100.40 ? 999 ARG A NE 1 \nATOM 2400 C CZ . ARG A 1 307 ? 4.684 42.235 29.815 1.00 91.52 ? 999 ARG A CZ 1 \nATOM 2401 N NH1 . ARG A 1 307 ? 3.653 41.834 30.548 1.00 82.09 ? 999 ARG A NH1 1 \nATOM 2402 N NH2 . ARG A 1 307 ? 4.521 43.229 28.948 1.00 73.74 ? 999 ARG A NH2 1 \nATOM 2403 N N . ALA A 1 308 ? 10.733 42.126 24.981 1.00 57.15 ? 1000 ALA A N 1 \nATOM 2404 C CA . ALA A 1 308 ? 11.789 42.855 24.248 1.00 68.38 ? 1000 ALA A CA 1 \nATOM 2405 C C . ALA A 1 308 ? 11.556 42.981 22.738 1.00 71.95 ? 1000 ALA A C 1 \nATOM 2406 O O . ALA A 1 308 ? 12.022 43.944 22.112 1.00 65.03 ? 1000 ALA A O 1 \nATOM 2407 C CB . ALA A 1 308 ? 13.165 42.217 24.502 1.00 40.39 ? 1000 ALA A CB 1 \nATOM 2408 N N . LEU A 1 309 ? 10.858 42.001 22.161 1.00 46.21 ? 1001 LEU A N 1 \nATOM 2409 C CA . LEU A 1 309 ? 10.599 41.970 20.736 1.00 40.49 ? 1001 LEU A CA 1 \nATOM 2410 C C . LEU A 1 309 ? 9.259 42.576 20.348 1.00 53.57 ? 1001 LEU A C 1 \nATOM 2411 O O . LEU A 1 309 ? 9.165 43.282 19.337 1.00 53.84 ? 1001 LEU A O 1 \nATOM 2412 C CB . LEU A 1 309 ? 10.631 40.517 20.238 1.00 45.77 ? 1001 LEU A CB 1 \nATOM 2413 C CG . LEU A 1 309 ? 11.848 40.057 19.447 1.00 44.23 ? 1001 LEU A CG 1 \nATOM 2414 C CD1 . LEU A 1 309 ? 13.080 40.042 20.339 1.00 48.87 ? 1001 LEU A CD1 1 \nATOM 2415 C CD2 . LEU A 1 309 ? 11.594 38.682 18.855 1.00 41.26 ? 1001 LEU A CD2 1 \nATOM 2416 N N . MET A 1 310 ? 8.227 42.280 21.138 1.00 53.10 ? 1002 MET A N 1 \nATOM 2417 C CA . MET A 1 310 ? 6.840 42.522 20.706 1.00 62.26 ? 1002 MET A CA 1 \nATOM 2418 C C . MET A 1 310 ? 6.179 43.786 21.256 1.00 69.68 ? 1002 MET A C 1 \nATOM 2419 O O . MET A 1 310 ? 5.263 44.326 20.625 1.00 61.34 ? 1002 MET A O 1 \nATOM 2420 C CB . MET A 1 310 ? 5.961 41.304 21.002 1.00 58.73 ? 1002 MET A CB 1 \nATOM 2421 C CG . MET A 1 310 ? 6.454 39.993 20.406 1.00 69.22 ? 1002 MET A CG 1 \nATOM 2422 S SD . MET A 1 310 ? 6.912 40.077 18.661 1.00 66.89 ? 1002 MET A SD 1 \nATOM 2423 C CE . MET A 1 310 ? 5.350 40.495 17.883 1.00 72.08 ? 1002 MET A CE 1 \nATOM 2424 N N . ASP A 1 311 ? 6.640 44.251 22.416 1.00 73.79 ? 1003 ASP A N 1 \nATOM 2425 C CA . ASP A 1 311 ? 6.024 45.404 23.095 1.00 93.71 ? 1003 ASP A CA 1 \nATOM 2426 C C . ASP A 1 311 ? 6.280 46.765 22.430 1.00 87.67 ? 1003 ASP A C 1 \nATOM 2427 O O . ASP A 1 311 ? 5.575 47.736 22.721 1.00 88.50 ? 1003 ASP A O 1 \nATOM 2428 C CB . ASP A 1 311 ? 6.420 45.449 24.578 1.00 89.49 ? 1003 ASP A CB 1 \nATOM 2429 C CG . ASP A 1 311 ? 5.643 44.452 25.426 1.00 94.17 ? 1003 ASP A CG 1 \nATOM 2430 O OD1 . ASP A 1 311 ? 5.332 43.344 24.936 1.00 89.80 ? 1003 ASP A OD1 1 \nATOM 2431 O OD2 . ASP A 1 311 ? 5.350 44.779 26.596 1.00 109.80 ? 1003 ASP A OD2 1 \nATOM 2432 N N . GLU A 1 312 ? 7.276 46.830 21.546 1.00 85.41 ? 1004 GLU A N 1 \nATOM 2433 C CA . GLU A 1 312 ? 7.565 48.046 20.781 1.00 93.45 ? 1004 GLU A CA 1 \nATOM 2434 C C . GLU A 1 312 ? 6.314 48.554 20.060 1.00 91.45 ? 1004 GLU A C 1 \nATOM 2435 O O . GLU A 1 312 ? 5.539 47.762 19.520 1.00 82.23 ? 1004 GLU A O 1 \nATOM 2436 C CB . GLU A 1 312 ? 8.690 47.788 19.775 1.00 93.39 ? 1004 GLU A CB 1 \nATOM 2437 C CG . GLU A 1 312 ? 9.148 49.021 19.005 1.00 94.09 ? 1004 GLU A CG 1 \nATOM 2438 C CD . GLU A 1 312 ? 10.248 48.715 18.005 1.00 101.52 ? 1004 GLU A CD 1 \nATOM 2439 O OE1 . GLU A 1 312 ? 10.530 49.583 17.147 1.00 80.73 ? 1004 GLU A OE1 1 \nATOM 2440 O OE2 . GLU A 1 312 ? 10.832 47.611 18.072 1.00 81.92 ? 1004 GLU A OE2 1 \nATOM 2441 N N . GLU A 1 313 ? 6.126 49.874 20.064 1.00 95.81 ? 1005 GLU A N 1 \nATOM 2442 C CA . GLU A 1 313 ? 4.944 50.509 19.468 1.00 104.88 ? 1005 GLU A CA 1 \nATOM 2443 C C . GLU A 1 313 ? 4.859 50.336 17.949 1.00 106.59 ? 1005 GLU A C 1 \nATOM 2444 O O . GLU A 1 313 ? 3.762 50.332 17.384 1.00 111.84 ? 1005 GLU A O 1 \nATOM 2445 C CB . GLU A 1 313 ? 4.872 51.991 19.851 1.00 104.00 ? 1005 GLU A CB 1 \nATOM 2446 C CG . GLU A 1 313 ? 4.303 52.231 21.243 1.00 107.89 ? 1005 GLU A CG 1 \nATOM 2447 C CD . GLU A 1 313 ? 4.496 53.654 21.742 1.00 110.98 ? 1005 GLU A CD 1 \nATOM 2448 O OE1 . GLU A 1 313 ? 4.178 53.906 22.925 1.00 95.43 ? 1005 GLU A OE1 1 \nATOM 2449 O OE2 . GLU A 1 313 ? 4.963 54.518 20.966 1.00 103.24 ? 1005 GLU A OE2 1 \nATOM 2450 N N . ASP A 1 314 ? 6.016 50.190 17.301 1.00 117.69 ? 1006 ASP A N 1 \nATOM 2451 C CA . ASP A 1 314 ? 6.085 49.910 15.862 1.00 122.83 ? 1006 ASP A CA 1 \nATOM 2452 C C . ASP A 1 314 ? 5.346 48.617 15.502 1.00 114.70 ? 1006 ASP A C 1 \nATOM 2453 O O . ASP A 1 314 ? 4.738 48.520 14.432 1.00 108.57 ? 1006 ASP A O 1 \nATOM 2454 C CB . ASP A 1 314 ? 7.541 49.857 15.382 1.00 123.65 ? 1006 ASP A CB 1 \nATOM 2455 C CG . ASP A 1 314 ? 8.165 51.241 15.222 1.00 120.44 ? 1006 ASP A CG 1 \nATOM 2456 O OD1 . ASP A 1 314 ? 7.426 52.226 15.000 1.00 108.22 ? 1006 ASP A OD1 1 \nATOM 2457 O OD2 . ASP A 1 314 ? 9.407 51.342 15.307 1.00 108.51 ? 1006 ASP A OD2 1 \nATOM 2458 N N . MET A 1 315 ? 5.403 47.637 16.405 1.00 95.23 ? 1007 MET A N 1 \nATOM 2459 C CA . MET A 1 315 ? 4.582 46.431 16.311 1.00 90.94 ? 1007 MET A CA 1 \nATOM 2460 C C . MET A 1 315 ? 3.162 46.781 16.768 1.00 99.19 ? 1007 MET A C 1 \nATOM 2461 O O . MET A 1 315 ? 2.757 46.435 17.880 1.00 109.79 ? 1007 MET A O 1 \nATOM 2462 C CB . MET A 1 315 ? 5.163 45.292 17.172 1.00 83.16 ? 1007 MET A CB 1 \nATOM 2463 C CG . MET A 1 315 ? 6.685 45.153 17.169 1.00 67.00 ? 1007 MET A CG 1 \nATOM 2464 S SD . MET A 1 315 ? 7.428 44.700 15.581 1.00 68.15 ? 1007 MET A SD 1 \nATOM 2465 C CE . MET A 1 315 ? 6.871 43.001 15.382 1.00 58.33 ? 1007 MET A CE 1 \nATOM 2466 N N . ASP A 1 316 ? 2.420 47.477 15.905 1.00 111.50 ? 1008 ASP A N 1 \nATOM 2467 C CA . ASP A 1 316 ? 1.107 48.039 16.253 1.00 111.00 ? 1008 ASP A CA 1 \nATOM 2468 C C . ASP A 1 316 ? 0.024 46.965 16.422 1.00 105.42 ? 1008 ASP A C 1 \nATOM 2469 O O . ASP A 1 316 ? -0.178 46.451 17.524 1.00 105.28 ? 1008 ASP A O 1 \nATOM 2470 C CB . ASP A 1 316 ? 0.682 49.099 15.220 1.00 123.41 ? 1008 ASP A CB 1 \nATOM 2471 C CG . ASP A 1 316 ? -0.499 49.949 15.690 1.00 120.55 ? 1008 ASP A CG 1 \nATOM 2472 O OD1 . ASP A 1 316 ? -1.629 49.728 15.200 1.00 80.53 ? 1008 ASP A OD1 1 \nATOM 2473 O OD2 . ASP A 1 316 ? -0.301 50.839 16.547 1.00 117.47 ? 1008 ASP A OD2 1 \nATOM 2474 N N . ASP A 1 317 ? -0.672 46.641 15.333 1.00 102.23 ? 1009 ASP A N 1 \nATOM 2475 C CA . ASP A 1 317 ? -1.728 45.629 15.348 1.00 100.67 ? 1009 ASP A CA 1 \nATOM 2476 C C . ASP A 1 317 ? -1.355 44.501 14.390 1.00 93.72 ? 1009 ASP A C 1 \nATOM 2477 O O . ASP A 1 317 ? -1.402 44.671 13.165 1.00 74.22 ? 1009 ASP A O 1 \nATOM 2478 C CB . ASP A 1 317 ? -3.084 46.245 14.971 1.00 101.82 ? 1009 ASP A CB 1 \nATOM 2479 C CG . ASP A 1 317 ? -3.662 47.128 16.072 1.00 113.32 ? 1009 ASP A CG 1 \nATOM 2480 O OD1 . ASP A 1 317 ? -4.035 48.284 15.777 1.00 104.40 ? 1009 ASP A OD1 1 \nATOM 2481 O OD2 . ASP A 1 317 ? -3.754 46.668 17.231 1.00 113.63 ? 1009 ASP A OD2 1 \nATOM 2482 N N . VAL A 1 318 ? -0.985 43.353 14.957 1.00 93.07 ? 1010 VAL A N 1 \nATOM 2483 C CA . VAL A 1 318 ? -0.383 42.257 14.187 1.00 80.23 ? 1010 VAL A CA 1 \nATOM 2484 C C . VAL A 1 318 ? -1.136 40.925 14.278 1.00 79.25 ? 1010 VAL A C 1 \nATOM 2485 O O . VAL A 1 318 ? -1.857 40.676 15.248 1.00 78.35 ? 1010 VAL A O 1 \nATOM 2486 C CB . VAL A 1 318 ? 1.103 42.050 14.572 1.00 82.37 ? 1010 VAL A CB 1 \nATOM 2487 C CG1 . VAL A 1 318 ? 1.915 43.299 14.251 1.00 87.87 ? 1010 VAL A CG1 1 \nATOM 2488 C CG2 . VAL A 1 318 ? 1.248 41.678 16.045 1.00 79.77 ? 1010 VAL A CG2 1 \nATOM 2489 N N . VAL A 1 319 ? -0.963 40.087 13.251 1.00 68.99 ? 1011 VAL A N 1 \nATOM 2490 C CA . VAL A 1 319 ? -1.523 38.727 13.204 1.00 64.51 ? 1011 VAL A CA 1 \nATOM 2491 C C . VAL A 1 319 ? -0.404 37.704 12.973 1.00 77.21 ? 1011 VAL A C 1 \nATOM 2492 O O . VAL A 1 319 ? 0.322 37.780 11.976 1.00 67.63 ? 1011 VAL A O 1 \nATOM 2493 C CB . VAL A 1 319 ? -2.604 38.567 12.100 1.00 69.31 ? 1011 VAL A CB 1 \nATOM 2494 C CG1 . VAL A 1 319 ? -3.068 37.117 11.995 1.00 73.03 ? 1011 VAL A CG1 1 \nATOM 2495 C CG2 . VAL A 1 319 ? -3.800 39.476 12.359 1.00 60.85 ? 1011 VAL A CG2 1 \nATOM 2496 N N . ASP A 1 320 ? -0.283 36.751 13.898 1.00 78.10 ? 1012 ASP A N 1 \nATOM 2497 C CA . ASP A 1 320 ? 0.709 35.675 13.829 1.00 78.78 ? 1012 ASP A CA 1 \nATOM 2498 C C . ASP A 1 320 ? 0.619 34.932 12.495 1.00 74.28 ? 1012 ASP A C 1 \nATOM 2499 O O . ASP A 1 320 ? -0.485 34.665 12.006 1.00 66.35 ? 1012 ASP A O 1 \nATOM 2500 C CB . ASP A 1 320 ? 0.493 34.703 14.996 1.00 81.42 ? 1012 ASP A CB 1 \nATOM 2501 C CG . ASP A 1 320 ? 1.685 33.798 15.237 1.00 99.02 ? 1012 ASP A CG 1 \nATOM 2502 O OD1 . ASP A 1 320 ? 2.690 34.271 15.810 1.00 104.15 ? 1012 ASP A OD1 1 \nATOM 2503 O OD2 . ASP A 1 320 ? 1.608 32.606 14.874 1.00 101.05 ? 1012 ASP A OD2 1 \nATOM 2504 N N . ALA A 1 321 ? 1.772 34.604 11.907 1.00 52.96 ? 1013 ALA A N 1 \nATOM 2505 C CA . ALA A 1 321 ? 1.813 33.912 10.605 1.00 59.48 ? 1013 ALA A CA 1 \nATOM 2506 C C . ALA A 1 321 ? 1.024 32.597 10.556 1.00 67.96 ? 1013 ALA A C 1 \nATOM 2507 O O . ALA A 1 321 ? 0.465 32.243 9.508 1.00 66.31 ? 1013 ALA A O 1 \nATOM 2508 C CB . ALA A 1 321 ? 3.243 33.702 10.139 1.00 62.75 ? 1013 ALA A CB 1 \nATOM 2509 N N . ASP A 1 322 ? 0.985 31.884 11.684 1.00 59.70 ? 1014 ASP A N 1 \nATOM 2510 C CA . ASP A 1 322 ? 0.200 30.654 11.812 1.00 74.24 ? 1014 ASP A CA 1 \nATOM 2511 C C . ASP A 1 322 ? -1.300 30.913 11.667 1.00 74.57 ? 1014 ASP A C 1 \nATOM 2512 O O . ASP A 1 322 ? -2.018 30.130 11.040 1.00 82.55 ? 1014 ASP A O 1 \nATOM 2513 C CB . ASP A 1 322 ? 0.476 29.981 13.160 1.00 83.80 ? 1014 ASP A CB 1 \nATOM 2514 C CG . ASP A 1 322 ? 1.930 29.578 13.328 1.00 86.76 ? 1014 ASP A CG 1 \nATOM 2515 O OD1 . ASP A 1 322 ? 2.458 29.709 14.454 1.00 96.46 ? 1014 ASP A OD1 1 \nATOM 2516 O OD2 . ASP A 1 322 ? 2.546 29.131 12.339 1.00 92.15 ? 1014 ASP A OD2 1 \nATOM 2517 N N . GLU A 1 323 ? -1.762 32.013 12.255 1.00 69.63 ? 1015 GLU A N 1 \nATOM 2518 C CA . GLU A 1 323 ? -3.169 32.406 12.205 1.00 84.01 ? 1015 GLU A CA 1 \nATOM 2519 C C . GLU A 1 323 ? -3.563 32.965 10.830 1.00 81.26 ? 1015 GLU A C 1 \nATOM 2520 O O . GLU A 1 323 ? -4.711 32.817 10.401 1.00 75.65 ? 1015 GLU A O 1 \nATOM 2521 C CB . GLU A 1 323 ? -3.466 33.432 13.304 1.00 89.15 ? 1015 GLU A CB 1 \nATOM 2522 C CG . GLU A 1 323 ? -4.941 33.592 13.645 1.00 106.04 ? 1015 GLU A CG 1 \nATOM 2523 C CD . GLU A 1 323 ? -5.193 34.639 14.717 1.00 119.25 ? 1015 GLU A CD 1 \nATOM 2524 O OE1 . GLU A 1 323 ? -4.251 34.982 15.465 1.00 124.44 ? 1015 GLU A OE1 1 \nATOM 2525 O OE2 . GLU A 1 323 ? -6.342 35.119 14.814 1.00 124.84 ? 1015 GLU A OE2 1 \nATOM 2526 N N . TYR A 1 324 ? -2.609 33.605 10.154 1.00 71.06 ? 1016 TYR A N 1 \nATOM 2527 C CA . TYR A 1 324 ? -2.825 34.180 8.825 1.00 72.33 ? 1016 TYR A CA 1 \nATOM 2528 C C . TYR A 1 324 ? -2.791 33.132 7.709 1.00 74.97 ? 1016 TYR A C 1 \nATOM 2529 O O . TYR A 1 324 ? -3.570 33.223 6.756 1.00 81.17 ? 1016 TYR A O 1 \nATOM 2530 C CB . TYR A 1 324 ? -1.810 35.297 8.549 1.00 84.93 ? 1016 TYR A CB 1 \nATOM 2531 C CG . TYR A 1 324 ? -1.665 35.681 7.088 1.00 86.99 ? 1016 TYR A CG 1 \nATOM 2532 C CD1 . TYR A 1 324 ? -0.805 34.974 6.243 1.00 91.38 ? 1016 TYR A CD1 1 \nATOM 2533 C CD2 . TYR A 1 324 ? -2.379 36.754 6.552 1.00 79.32 ? 1016 TYR A CD2 1 \nATOM 2534 C CE1 . TYR A 1 324 ? -0.668 35.316 4.908 1.00 95.57 ? 1016 TYR A CE1 1 \nATOM 2535 C CE2 . TYR A 1 324 ? -2.244 37.108 5.217 1.00 82.46 ? 1016 TYR A CE2 1 \nATOM 2536 C CZ . TYR A 1 324 ? -1.387 36.385 4.400 1.00 97.13 ? 1016 TYR A CZ 1 \nATOM 2537 O OH . TYR A 1 324 ? -1.236 36.717 3.072 1.00 93.34 ? 1016 TYR A OH 1 \nATOM 2538 N N . LEU A 1 325 ? -1.889 32.157 7.823 1.00 79.31 ? 1017 LEU A N 1 \nATOM 2539 C CA . LEU A 1 325 ? -1.752 31.089 6.826 1.00 78.37 ? 1017 LEU A CA 1 \nATOM 2540 C C . LEU A 1 325 ? -2.418 29.794 7.290 1.00 79.78 ? 1017 LEU A C 1 \nATOM 2541 O O . LEU A 1 325 ? -3.584 29.532 6.982 1.00 86.61 ? 1017 LEU A O 1 \nATOM 2542 C CB . LEU A 1 325 ? -0.272 30.850 6.492 1.00 96.14 ? 1017 LEU A CB 1 \nATOM 2543 C CG . LEU A 1 325 ? 0.143 29.601 5.697 1.00 116.26 ? 1017 LEU A CG 1 \nATOM 2544 C CD1 . LEU A 1 325 ? -0.313 29.652 4.243 1.00 121.68 ? 1017 LEU A CD1 1 \nATOM 2545 C CD2 . LEU A 1 325 ? 1.648 29.383 5.783 1.00 110.27 ? 1017 LEU A CD2 1 \nHETATM 2546 C C1 . W32 B 2 . ? 17.523 28.990 5.798 1.00 31.51 ? 1101 W32 A C1 1 \nHETATM 2547 C C2 . W32 B 2 . ? 16.291 28.418 6.080 1.00 30.31 ? 1101 W32 A C2 1 \nHETATM 2548 C C3 . W32 B 2 . ? 17.399 32.400 11.069 1.00 27.58 ? 1101 W32 A C3 1 \nHETATM 2549 C C4 . W32 B 2 . ? 17.766 30.265 6.269 1.00 29.96 ? 1101 W32 A C4 1 \nHETATM 2550 C C5 . W32 B 2 . ? 17.620 31.995 9.772 1.00 28.42 ? 1101 W32 A C5 1 \nHETATM 2551 C C6 . W32 B 2 . ? 15.605 30.408 7.268 1.00 28.58 ? 1101 W32 A C6 1 \nHETATM 2552 C C7 . W32 B 2 . ? 15.786 33.991 10.313 1.00 27.15 ? 1101 W32 A C7 1 \nHETATM 2553 C C8 . W32 B 2 . ? 12.748 33.566 13.379 1.00 31.64 ? 1101 W32 A C8 1 \nHETATM 2554 C C9 . W32 B 2 . ? 14.942 34.492 14.574 1.00 35.19 ? 1101 W32 A C9 1 \nHETATM 2555 C C10 . W32 B 2 . ? 15.370 29.134 6.809 1.00 25.91 ? 1101 W32 A C10 1 \nHETATM 2556 C C11 . W32 B 2 . ? 16.480 33.398 11.352 1.00 28.93 ? 1101 W32 A C11 1 \nHETATM 2557 C C12 . W32 B 2 . ? 16.830 30.965 6.994 1.00 32.48 ? 1101 W32 A C12 1 \nHETATM 2558 C C13 . W32 B 2 . ? 16.923 32.597 8.743 1.00 27.90 ? 1101 W32 A C13 1 \nHETATM 2559 C C14 . W32 B 2 . ? 15.995 33.592 9.009 1.00 29.12 ? 1101 W32 A C14 1 \nHETATM 2560 C C15 . W32 B 2 . ? 13.699 34.562 15.192 1.00 29.35 ? 1101 W32 A C15 1 \nHETATM 2561 C C16 . W32 B 2 . ? 14.989 33.935 13.305 1.00 35.49 ? 1101 W32 A C16 1 \nHETATM 2562 C C17 . W32 B 2 . ? 16.163 35.029 15.170 1.00 34.55 ? 1101 W32 A C17 1 \nHETATM 2563 C C18 . W32 B 2 . ? 16.443 35.196 16.465 1.00 31.64 ? 1101 W32 A C18 1 \nHETATM 2564 C C19 . W32 B 2 . ? 17.734 35.864 16.810 1.00 41.85 ? 1101 W32 A C19 1 \nHETATM 2565 C C20 . W32 B 2 . ? 15.566 34.815 17.582 1.00 34.23 ? 1101 W32 A C20 1 \nHETATM 2566 C C21 . W32 B 2 . ? 14.310 35.640 17.409 1.00 33.52 ? 1101 W32 A C21 1 \nHETATM 2567 C C22 . W32 B 2 . ? 23.039 35.053 18.700 1.00 86.61 ? 1101 W32 A C22 1 \nHETATM 2568 C C23 . W32 B 2 . ? 20.048 36.322 16.157 1.00 53.53 ? 1101 W32 A C23 1 \nHETATM 2569 C C24 . W32 B 2 . ? 20.735 35.538 17.258 1.00 62.21 ? 1101 W32 A C24 1 \nHETATM 2570 C C25 . W32 B 2 . ? 14.038 28.522 7.120 1.00 27.55 ? 1101 W32 A C25 1 \nHETATM 2571 N N26 . W32 B 2 . ? 12.598 34.091 14.590 1.00 29.72 ? 1101 W32 A N26 1 \nHETATM 2572 N N27 . W32 B 2 . ? 13.891 33.461 12.695 1.00 32.32 ? 1101 W32 A N27 1 \nHETATM 2573 N N28 . W32 B 2 . ? 13.391 35.060 16.456 1.00 30.86 ? 1101 W32 A N28 1 \nHETATM 2574 N N29 . W32 B 2 . ? 16.248 33.857 12.650 1.00 28.23 ? 1101 W32 A N29 1 \nHETATM 2575 N N30 . W32 B 2 . ? 18.733 35.791 15.867 1.00 40.18 ? 1101 W32 A N30 1 \nHETATM 2576 O O31 . W32 B 2 . ? 17.835 36.482 17.860 1.00 50.74 ? 1101 W32 A O31 1 \nHETATM 2577 O O32 . W32 B 2 . ? 23.066 36.437 16.489 1.00 63.85 ? 1101 W32 A O32 1 \nHETATM 2578 O O33 . W32 B 2 . ? 21.997 37.443 18.557 1.00 81.42 ? 1101 W32 A O33 1 \nHETATM 2579 O O34 . W32 B 2 . ? 17.118 32.249 7.424 1.00 30.16 ? 1101 W32 A O34 1 \nHETATM 2580 F F35 . W32 B 2 . ? 14.097 27.611 8.115 1.00 35.13 ? 1101 W32 A F35 1 \nHETATM 2581 F F36 . W32 B 2 . ? 13.166 29.438 7.562 1.00 34.11 ? 1101 W32 A F36 1 \nHETATM 2582 F F37 . W32 B 2 . ? 13.559 27.856 6.039 1.00 32.07 ? 1101 W32 A F37 1 \nHETATM 2583 S S38 . W32 B 2 . ? 22.276 36.305 17.700 1.00 84.11 ? 1101 W32 A S38 1 \nHETATM 2584 CL CL1 . W32 B 2 . ? 15.137 34.343 7.702 1.00 34.16 ? 1101 W32 A CL1 1 \nHETATM 2585 S S . SO4 C 3 . ? 28.315 33.136 22.172 1.00 54.09 ? 1102 SO4 A S 1 \nHETATM 2586 O O1 . SO4 C 3 . ? 27.668 33.301 20.863 1.00 50.36 ? 1102 SO4 A O1 1 \nHETATM 2587 O O2 . SO4 C 3 . ? 29.746 33.509 22.064 1.00 60.30 ? 1102 SO4 A O2 1 \nHETATM 2588 O O3 . SO4 C 3 . ? 28.196 31.721 22.585 1.00 45.28 ? 1102 SO4 A O3 1 \nHETATM 2589 O O4 . SO4 C 3 . ? 27.636 33.973 23.182 1.00 70.80 ? 1102 SO4 A O4 1 \nHETATM 2590 O O . HOH D 4 . ? 18.952 33.681 13.748 1.00 30.72 ? 2001 HOH A O 1 \nHETATM 2591 O O . HOH D 4 . ? 35.442 12.036 9.937 1.00 30.09 ? 2002 HOH A O 1 \nHETATM 2592 O O . HOH D 4 . ? 24.978 20.704 10.598 1.00 31.13 ? 2003 HOH A O 1 \nHETATM 2593 O O . HOH D 4 . ? 34.337 20.372 15.165 1.00 28.11 ? 2004 HOH A O 1 \nHETATM 2594 O O . HOH D 4 . ? 6.509 21.354 -6.071 1.00 29.38 ? 2005 HOH A O 1 \nHETATM 2595 O O . HOH D 4 . ? 26.485 18.720 8.106 1.00 30.82 ? 2006 HOH A O 1 \nHETATM 2596 O O . HOH D 4 . ? 20.845 10.119 9.908 1.00 30.60 ? 2007 HOH A O 1 \nHETATM 2597 O O . HOH D 4 . ? 17.257 9.102 9.766 1.00 32.20 ? 2008 HOH A O 1 \nHETATM 2598 O O . HOH D 4 . ? 36.130 7.683 16.487 1.00 38.69 ? 2009 HOH A O 1 \nHETATM 2599 O O . HOH D 4 . ? 13.664 30.957 11.228 1.00 31.50 ? 2010 HOH A O 1 \nHETATM 2600 O O . HOH D 4 . ? 23.367 25.952 6.551 1.00 37.12 ? 2011 HOH A O 1 \nHETATM 2601 O O . HOH D 4 . ? 30.886 28.537 28.215 1.00 40.46 ? 2012 HOH A O 1 \nHETATM 2602 O O . HOH D 4 . ? 32.756 19.653 17.155 1.00 28.58 ? 2013 HOH A O 1 \nHETATM 2603 O O . HOH D 4 . ? 21.686 36.822 -11.628 1.00 56.11 ? 2014 HOH A O 1 \nHETATM 2604 O O . HOH D 4 . ? 39.487 7.019 16.025 1.00 50.43 ? 2015 HOH A O 1 \nHETATM 2605 O O . HOH D 4 . ? 24.717 27.461 19.113 1.00 29.62 ? 2016 HOH A O 1 \nHETATM 2606 O O . HOH D 4 . ? 26.919 27.315 22.960 1.00 32.92 ? 2017 HOH A O 1 \nHETATM 2607 O O . HOH D 4 . ? 21.677 19.209 0.486 1.00 37.84 ? 2018 HOH A O 1 \nHETATM 2608 O O . HOH D 4 . ? 8.443 31.994 19.416 1.00 35.04 ? 2019 HOH A O 1 \nHETATM 2609 O O . HOH D 4 . ? 17.135 42.163 -0.961 1.00 57.68 ? 2020 HOH A O 1 \nHETATM 2610 O O . HOH D 4 . ? 36.632 30.489 18.215 1.00 60.99 ? 2021 HOH A O 1 \nHETATM 2611 O O . HOH D 4 . ? 33.379 16.584 20.716 1.00 38.49 ? 2022 HOH A O 1 \nHETATM 2612 O O . HOH D 4 . ? 25.300 19.757 32.915 1.00 32.97 ? 2023 HOH A O 1 \nHETATM 2613 O O . HOH D 4 . ? 33.014 27.649 15.526 1.00 36.60 ? 2024 HOH A O 1 \nHETATM 2614 O O . HOH D 4 . ? 33.617 10.243 19.744 1.00 33.88 ? 2025 HOH A O 1 \nHETATM 2615 O O . HOH D 4 . ? 7.754 30.842 8.414 1.00 40.67 ? 2026 HOH A O 1 \nHETATM 2616 O O . HOH D 4 . ? 10.668 30.874 11.297 1.00 33.82 ? 2027 HOH A O 1 \nHETATM 2617 O O . HOH D 4 . ? 26.832 24.553 13.022 1.00 39.16 ? 2028 HOH A O 1 \nHETATM 2618 O O . HOH D 4 . ? 21.042 33.463 11.806 1.00 38.83 ? 2029 HOH A O 1 \nHETATM 2619 O O . HOH D 4 . ? 7.739 23.297 8.108 1.00 42.86 ? 2030 HOH A O 1 \nHETATM 2620 O O . HOH D 4 . ? 10.905 13.095 11.221 1.00 32.44 ? 2031 HOH A O 1 \nHETATM 2621 O O . HOH D 4 . ? 12.309 6.679 14.280 1.00 40.84 ? 2032 HOH A O 1 \nHETATM 2622 O O . HOH D 4 . ? 6.371 16.396 8.444 1.00 42.41 ? 2033 HOH A O 1 \nHETATM 2623 O O . HOH D 4 . ? 11.382 8.774 7.622 1.00 36.18 ? 2034 HOH A O 1 \nHETATM 2624 O O . HOH D 4 . ? 37.978 12.473 9.028 1.00 37.99 ? 2035 HOH A O 1 \nHETATM 2625 O O . HOH D 4 . ? 26.334 29.616 19.096 1.00 35.40 ? 2036 HOH A O 1 \nHETATM 2626 O O . HOH D 4 . ? 28.085 29.293 21.311 1.00 33.80 ? 2037 HOH A O 1 \nHETATM 2627 O O . HOH D 4 . ? 29.678 19.189 9.597 1.00 38.78 ? 2038 HOH A O 1 \nHETATM 2628 O O . HOH D 4 . ? 18.829 31.034 14.369 1.00 42.03 ? 2039 HOH A O 1 \nHETATM 2629 O O . HOH D 4 . ? 38.239 13.151 6.193 1.00 35.39 ? 2040 HOH A O 1 \nHETATM 2630 O O . HOH D 4 . ? 42.253 18.534 4.456 1.00 39.85 ? 2041 HOH A O 1 \nHETATM 2631 O O . HOH D 4 . ? 35.880 6.018 8.596 1.00 41.37 ? 2042 HOH A O 1 \nHETATM 2632 O O . HOH D 4 . ? 6.868 14.238 27.659 1.00 57.08 ? 2043 HOH A O 1 \nHETATM 2633 O O . HOH D 4 . ? 25.840 9.403 3.926 1.00 37.52 ? 2044 HOH A O 1 \nHETATM 2634 O O . HOH D 4 . ? 23.916 10.923 4.843 1.00 36.39 ? 2045 HOH A O 1 \nHETATM 2635 O O . HOH D 4 . ? 22.297 9.245 6.744 1.00 32.79 ? 2046 HOH A O 1 \nHETATM 2636 O O . HOH D 4 . ? 25.735 6.067 7.008 1.00 36.43 ? 2047 HOH A O 1 \nHETATM 2637 O O . HOH D 4 . ? 25.275 3.366 7.768 1.00 39.99 ? 2048 HOH A O 1 \nHETATM 2638 O O . HOH D 4 . ? 31.874 2.778 6.260 1.00 50.43 ? 2049 HOH A O 1 \nHETATM 2639 O O . HOH D 4 . ? 35.219 5.807 14.085 1.00 38.24 ? 2050 HOH A O 1 \nHETATM 2640 O O . HOH D 4 . ? 21.161 14.370 0.807 1.00 42.08 ? 2051 HOH A O 1 \nHETATM 2641 O O . HOH D 4 . ? 23.868 13.162 2.145 1.00 37.79 ? 2052 HOH A O 1 \nHETATM 2642 O O . HOH D 4 . ? 17.291 14.374 37.680 1.00 50.83 ? 2053 HOH A O 1 \nHETATM 2643 O O . HOH D 4 . ? 34.232 13.602 30.125 1.00 38.30 ? 2054 HOH A O 1 \nHETATM 2644 O O . HOH D 4 . ? 24.841 32.749 10.356 1.00 44.08 ? 2055 HOH A O 1 \nHETATM 2645 O O . HOH D 4 . ? 29.807 17.978 0.516 1.00 38.25 ? 2056 HOH A O 1 \nHETATM 2646 O O . HOH D 4 . ? 6.362 17.239 3.587 1.00 38.89 ? 2057 HOH A O 1 \nHETATM 2647 O O . HOH D 4 . ? 44.102 21.764 13.753 1.00 42.91 ? 2058 HOH A O 1 \nHETATM 2648 O O . HOH D 4 . ? 34.739 22.287 26.071 1.00 41.30 ? 2059 HOH A O 1 \nHETATM 2649 O O . HOH D 4 . ? 19.809 15.737 8.120 1.00 39.13 ? 2060 HOH A O 1 \nHETATM 2650 O O . HOH D 4 . ? 34.786 23.238 5.336 1.00 41.49 ? 2061 HOH A O 1 \nHETATM 2651 O O . HOH D 4 . ? 11.549 4.709 21.682 1.00 43.83 ? 2062 HOH A O 1 \nHETATM 2652 O O . HOH D 4 . ? 32.328 28.947 -3.320 1.00 46.43 ? 2063 HOH A O 1 \nHETATM 2653 O O . HOH D 4 . ? 15.198 32.353 23.952 1.00 39.56 ? 2064 HOH A O 1 \nHETATM 2654 O O . HOH D 4 . ? 27.994 8.896 5.683 1.00 34.43 ? 2065 HOH A O 1 \nHETATM 2655 O O . HOH D 4 . ? 7.938 16.137 22.485 1.00 51.73 ? 2066 HOH A O 1 \nHETATM 2656 O O . HOH D 4 . ? 6.882 48.187 -5.358 1.00 52.22 ? 2067 HOH A O 1 \nHETATM 2657 O O . HOH D 4 . ? 7.809 14.973 13.054 1.00 45.62 ? 2068 HOH A O 1 \nHETATM 2658 O O . HOH D 4 . ? 9.129 11.157 13.552 1.00 51.16 ? 2069 HOH A O 1 \nHETATM 2659 O O . HOH D 4 . ? 8.607 28.931 10.382 1.00 44.69 ? 2070 HOH A O 1 \nHETATM 2660 O O . HOH D 4 . ? 17.819 11.733 38.870 1.00 43.75 ? 2071 HOH A O 1 \nHETATM 2661 O O . HOH D 4 . ? 19.521 9.398 3.628 1.00 43.64 ? 2072 HOH A O 1 \nHETATM 2662 O O . HOH D 4 . ? 32.704 24.308 4.378 1.00 40.08 ? 2073 HOH A O 1 \nHETATM 2663 O O . HOH D 4 . ? 40.870 23.271 12.777 1.00 44.98 ? 2074 HOH A O 1 \nHETATM 2664 O O . HOH D 4 . ? 7.122 11.266 27.389 1.00 56.70 ? 2075 HOH A O 1 \nHETATM 2665 O O . HOH D 4 . ? 43.891 19.989 6.225 1.00 53.70 ? 2076 HOH A O 1 \nHETATM 2666 O O . HOH D 4 . ? 30.592 29.461 20.862 1.00 40.74 ? 2077 HOH A O 1 \nHETATM 2667 O O . HOH D 4 . ? 43.928 19.888 24.129 1.00 59.50 ? 2078 HOH A O 1 \nHETATM 2668 O O . HOH D 4 . ? 28.233 24.649 -1.481 1.00 49.45 ? 2079 HOH A O 1 \nHETATM 2669 O O . HOH D 4 . ? 37.537 9.737 20.442 1.00 49.24 ? 2080 HOH A O 1 \nHETATM 2670 O O . HOH D 4 . ? 26.400 4.566 16.784 1.00 49.49 ? 2081 HOH A O 1 \nHETATM 2671 O O . HOH D 4 . ? 9.514 5.252 19.588 1.00 60.51 ? 2082 HOH A O 1 \n# \nloop_\n_atom_site_anisotrop.id \n_atom_site_anisotrop.type_symbol \n_atom_site_anisotrop.pdbx_label_atom_id \n_atom_site_anisotrop.pdbx_label_alt_id \n_atom_site_anisotrop.pdbx_label_comp_id \n_atom_site_anisotrop.pdbx_label_asym_id \n_atom_site_anisotrop.pdbx_label_seq_id \n_atom_site_anisotrop.pdbx_PDB_ins_code \n_atom_site_anisotrop.U[1][1] \n_atom_site_anisotrop.U[2][2] \n_atom_site_anisotrop.U[3][3] \n_atom_site_anisotrop.U[1][2] \n_atom_site_anisotrop.U[1][3] \n_atom_site_anisotrop.U[2][3] \n_atom_site_anisotrop.pdbx_auth_seq_id \n_atom_site_anisotrop.pdbx_auth_comp_id \n_atom_site_anisotrop.pdbx_auth_asym_id \n_atom_site_anisotrop.pdbx_auth_atom_id \n1 N N . GLN A 9 ? 0.5420 0.5609 0.7188 0.0196 -0.0946 0.0018 701 GLN A N \n2 C CA . GLN A 9 ? 0.5718 0.6034 0.7606 0.0189 -0.0889 0.0026 701 GLN A CA \n3 C C . GLN A 9 ? 0.5291 0.5587 0.7054 0.0136 -0.0837 0.0025 701 GLN A C \n4 O O . GLN A 9 ? 0.5250 0.5624 0.7078 0.0121 -0.0798 0.0032 701 GLN A O \n5 C CB . GLN A 9 ? 0.7425 0.7772 0.9441 0.0183 -0.0959 0.0044 701 GLN A CB \n6 C CG . GLN A 9 ? 0.9845 1.0353 1.2070 0.0212 -0.0913 0.0051 701 GLN A CG \n7 C CD . GLN A 9 ? 1.2016 1.2555 1.4362 0.0193 -0.0983 0.0073 701 GLN A CD \n8 O OE1 . GLN A 9 ? 1.1085 1.1671 1.3582 0.0228 -0.1033 0.0080 701 GLN A OE1 \n9 N NE2 . GLN A 9 ? 1.1782 1.2293 1.4064 0.0139 -0.0989 0.0084 701 GLN A NE2 \n10 N N . ALA A 10 ? 0.5196 0.5388 0.6783 0.0110 -0.0835 0.0016 702 ALA A N \n11 C CA . ALA A 10 ? 0.4921 0.5092 0.6387 0.0066 -0.0783 0.0012 702 ALA A CA \n12 C C . ALA A 10 ? 0.5473 0.5756 0.7003 0.0082 -0.0688 0.0005 702 ALA A C \n13 O O . ALA A 10 ? 0.4974 0.5312 0.6570 0.0124 -0.0653 -0.0001 702 ALA A O \n14 C CB . ALA A 10 ? 0.4911 0.4965 0.6197 0.0041 -0.0793 0.0005 702 ALA A CB \n15 N N . LEU A 11 ? 0.4239 0.4548 0.5741 0.0049 -0.0649 0.0006 703 LEU A N \n16 C CA . LEU A 11 ? 0.4156 0.4550 0.5689 0.0058 -0.0563 0.0000 703 LEU A CA \n17 C C . LEU A 11 ? 0.4192 0.4552 0.5621 0.0060 -0.0523 -0.0012 703 LEU A C \n18 O O . LEU A 11 ? 0.4334 0.4749 0.5807 0.0091 -0.0473 -0.0019 703 LEU A O \n19 C CB . LEU A 11 ? 0.3930 0.4338 0.5436 0.0021 -0.0540 0.0002 703 LEU A CB \n20 C CG . LEU A 11 ? 0.5234 0.5745 0.6820 0.0032 -0.0469 0.0001 703 LEU A CG \n21 C CD1 . LEU A 11 ? 0.5515 0.6118 0.7256 0.0071 -0.0456 0.0008 703 LEU A CD1 \n22 C CD2 . LEU A 11 ? 0.4888 0.5405 0.6470 0.0000 -0.0470 0.0007 703 LEU A CD2 \n23 N N . LEU A 12 ? 0.3764 0.4028 0.5052 0.0025 -0.0546 -0.0015 704 LEU A N \n24 C CA . LEU A 12 ? 0.3710 0.3925 0.4891 0.0020 -0.0524 -0.0024 704 LEU A CA \n25 C C . LEU A 12 ? 0.3995 0.4124 0.5132 0.0031 -0.0588 -0.0022 704 LEU A C \n26 O O . LEU A 12 ? 0.4022 0.4059 0.5070 0.0000 -0.0643 -0.0017 704 LEU A O \n27 C CB . LEU A 12 ? 0.3820 0.3990 0.4875 -0.0028 -0.0503 -0.0028 704 LEU A CB \n28 C CG . LEU A 12 ? 0.4517 0.4647 0.5466 -0.0044 -0.0477 -0.0034 704 LEU A CG \n29 C CD1 . LEU A 12 ? 0.3941 0.4144 0.4944 -0.0015 -0.0418 -0.0040 704 LEU A CD1 \n30 C CD2 . LEU A 12 ? 0.4643 0.4734 0.5479 -0.0094 -0.0458 -0.0037 704 LEU A CD2 \n31 N N . ARG A 13 ? 0.4031 0.4183 0.5225 0.0076 -0.0582 -0.0027 705 ARG A N \n32 C CA . ARG A 13 ? 0.4373 0.4437 0.5524 0.0093 -0.0645 -0.0027 705 ARG A CA \n33 C C . ARG A 13 ? 0.4882 0.4845 0.5869 0.0059 -0.0653 -0.0029 705 ARG A C \n34 O O . ARG A 13 ? 0.4859 0.4841 0.5800 0.0050 -0.0597 -0.0034 705 ARG A O \n35 C CB . ARG A 13 ? 0.5446 0.5561 0.6704 0.0157 -0.0635 -0.0034 705 ARG A CB \n36 C CG . ARG A 13 ? 0.5619 0.5820 0.7045 0.0191 -0.0647 -0.0029 705 ARG A CG \n37 C CD . ARG A 13 ? 0.7699 0.7979 0.9236 0.0253 -0.0604 -0.0039 705 ARG A CD \n38 N NE . ARG A 13 ? 1.0335 1.0620 1.1977 0.0299 -0.0658 -0.0039 705 ARG A NE \n39 C CZ . ARG A 13 ? 1.1062 1.1447 1.2872 0.0325 -0.0657 -0.0033 705 ARG A CZ \n40 N NH1 . ARG A 13 ? 1.1689 1.2171 1.3574 0.0307 -0.0606 -0.0026 705 ARG A NH1 \n41 N NH2 . ARG A 13 ? 1.0971 1.1359 1.2879 0.0370 -0.0711 -0.0035 705 ARG A NH2 \n42 N N . ILE A 14 ? 0.4766 0.4618 0.5663 0.0037 -0.0725 -0.0023 706 ILE A N \n43 C CA . ILE A 14 ? 0.5346 0.5092 0.6083 0.0000 -0.0739 -0.0022 706 ILE A CA \n44 C C . ILE A 14 ? 0.5844 0.5540 0.6582 0.0043 -0.0776 -0.0026 706 ILE A C \n45 O O . ILE A 14 ? 0.5473 0.5111 0.6227 0.0063 -0.0849 -0.0023 706 ILE A O \n46 C CB . ILE A 14 ? 0.6555 0.6189 0.7171 -0.0052 -0.0798 -0.0012 706 ILE A CB \n47 C CG1 . ILE A 14 ? 0.6363 0.6039 0.6991 -0.0084 -0.0774 -0.0010 706 ILE A CG1 \n48 C CG2 . ILE A 14 ? 0.6817 0.6350 0.7265 -0.0098 -0.0802 -0.0009 706 ILE A CG2 \n49 C CD1 . ILE A 14 ? 0.5418 0.5176 0.6047 -0.0102 -0.0685 -0.0016 706 ILE A CD1 \n50 N N . LEU A 15 ? 0.5526 0.5242 0.6247 0.0058 -0.0729 -0.0033 707 LEU A N \n51 C CA . LEU A 15 ? 0.5596 0.5267 0.6320 0.0107 -0.0757 -0.0041 707 LEU A CA \n52 C C . LEU A 15 ? 0.6465 0.5998 0.7022 0.0070 -0.0803 -0.0035 707 LEU A C \n53 O O . LEU A 15 ? 0.6247 0.5756 0.6699 0.0014 -0.0776 -0.0029 707 LEU A O \n54 C CB . LEU A 15 ? 0.5854 0.5608 0.6642 0.0147 -0.0686 -0.0052 707 LEU A CB \n55 C CG . LEU A 15 ? 0.6627 0.6521 0.7566 0.0179 -0.0624 -0.0057 707 LEU A CG \n56 C CD1 . LEU A 15 ? 0.5197 0.5132 0.6153 0.0213 -0.0563 -0.0067 707 LEU A CD1 \n57 C CD2 . LEU A 15 ? 0.5352 0.5290 0.6428 0.0224 -0.0658 -0.0057 707 LEU A CD2 \n58 N N . LYS A 16 ? 0.6234 0.5679 0.6771 0.0102 -0.0874 -0.0037 708 LYS A N \n59 C CA . LYS A 16 ? 0.7895 0.7197 0.8274 0.0076 -0.0924 -0.0033 708 LYS A CA \n60 C C . LYS A 16 ? 0.6539 0.5843 0.6901 0.0106 -0.0888 -0.0042 708 LYS A C \n61 O O . LYS A 16 ? 0.5800 0.5184 0.6277 0.0170 -0.0853 -0.0056 708 LYS A O \n62 C CB . LYS A 16 ? 0.8027 0.7226 0.8395 0.0105 -0.1023 -0.0032 708 LYS A CB \n63 C CG . LYS A 16 ? 0.9974 0.9118 1.0307 0.0063 -0.1081 -0.0019 708 LYS A CG \n64 C CD . LYS A 16 ? 1.1801 1.0964 1.2267 0.0122 -0.1142 -0.0024 708 LYS A CD \n65 C CE . LYS A 16 ? 1.2334 1.1425 1.2810 0.0184 -0.1201 -0.0034 708 LYS A CE \n66 N NZ . LYS A 16 ? 1.2740 1.1877 1.3377 0.0248 -0.1251 -0.0040 708 LYS A NZ \n67 N N . GLU A 17 ? 0.6711 0.5923 0.6924 0.0058 -0.0897 -0.0034 709 GLU A N \n68 C CA . GLU A 17 ? 0.6996 0.6184 0.7165 0.0077 -0.0874 -0.0040 709 GLU A CA \n69 C C . GLU A 17 ? 0.7493 0.6645 0.7710 0.0160 -0.0908 -0.0057 709 GLU A C \n70 O O . GLU A 17 ? 0.6931 0.6115 0.7176 0.0203 -0.0865 -0.0070 709 GLU A O \n71 C CB . GLU A 17 ? 0.7825 0.6893 0.7817 0.0007 -0.0904 -0.0025 709 GLU A CB \n72 C CG . GLU A 17 ? 0.9433 0.8557 0.9387 -0.0067 -0.0849 -0.0012 709 GLU A CG \n73 C CD . GLU A 17 ? 1.2260 1.1279 1.2053 -0.0138 -0.0871 0.0004 709 GLU A CD \n74 O OE1 . GLU A 17 ? 1.0992 1.0038 1.0763 -0.0157 -0.0830 0.0006 709 GLU A OE1 \n75 O OE2 . GLU A 17 ? 1.3467 1.2373 1.3152 -0.0178 -0.0933 0.0015 709 GLU A OE2 \n76 N N . THR A 18 ? 0.7519 0.6602 0.7742 0.0185 -0.0984 -0.0058 710 THR A N \n77 C CA . THR A 18 ? 0.7982 0.7034 0.8264 0.0270 -0.1020 -0.0076 710 THR A CA \n78 C C . THR A 18 ? 0.6977 0.6180 0.7450 0.0341 -0.0960 -0.0093 710 THR A C \n79 O O . THR A 18 ? 0.7409 0.6612 0.7941 0.0417 -0.0962 -0.0111 710 THR A O \n80 C CB . THR A 18 ? 0.8306 0.7247 0.8558 0.0278 -0.1125 -0.0073 710 THR A CB \n81 O OG1 . THR A 18 ? 0.8246 0.7251 0.8581 0.0258 -0.1136 -0.0064 710 THR A OG1 \n82 C CG2 . THR A 18 ? 0.8237 0.7009 0.8285 0.0213 -0.1189 -0.0057 710 THR A CG2 \n83 N N . GLU A 19 ? 0.6396 0.5723 0.6959 0.0315 -0.0905 -0.0086 711 GLU A N \n84 C CA . GLU A 19 ? 0.7106 0.6578 0.7851 0.0369 -0.0850 -0.0096 711 GLU A CA \n85 C C . GLU A 19 ? 0.7201 0.6751 0.7975 0.0392 -0.0760 -0.0107 711 GLU A C \n86 O O . GLU A 19 ? 0.6446 0.6101 0.7356 0.0446 -0.0711 -0.0118 711 GLU A O \n87 C CB . GLU A 19 ? 0.7716 0.7278 0.8537 0.0328 -0.0834 -0.0083 711 GLU A CB \n88 C CG . GLU A 19 ? 0.7783 0.7312 0.8645 0.0327 -0.0914 -0.0076 711 GLU A CG \n89 C CD . GLU A 19 ? 0.7319 0.6940 0.8256 0.0290 -0.0891 -0.0064 711 GLU A CD \n90 O OE1 . GLU A 19 ? 0.6710 0.6268 0.7549 0.0226 -0.0923 -0.0050 711 GLU A OE1 \n91 O OE2 . GLU A 19 ? 0.9164 0.8915 1.0251 0.0323 -0.0839 -0.0068 711 GLU A OE2 \n92 N N . PHE A 20 ? 0.6126 0.5625 0.6772 0.0347 -0.0737 -0.0101 712 PHE A N \n93 C CA . PHE A 20 ? 0.6800 0.6359 0.7455 0.0360 -0.0658 -0.0109 712 PHE A CA \n94 C C . PHE A 20 ? 0.5750 0.5195 0.6252 0.0345 -0.0670 -0.0110 712 PHE A C \n95 O O . PHE A 20 ? 0.6289 0.5627 0.6669 0.0299 -0.0728 -0.0098 712 PHE A O \n96 C CB . PHE A 20 ? 0.5773 0.5442 0.6475 0.0312 -0.0596 -0.0098 712 PHE A CB \n97 C CG . PHE A 20 ? 0.5363 0.4987 0.5954 0.0230 -0.0611 -0.0082 712 PHE A CG \n98 C CD1 . PHE A 20 ? 0.6429 0.6038 0.6934 0.0194 -0.0577 -0.0077 712 PHE A CD1 \n99 C CD2 . PHE A 20 ? 0.5799 0.5395 0.6368 0.0188 -0.0658 -0.0070 712 PHE A CD2 \n100 C CE1 . PHE A 20 ? 0.5615 0.5195 0.6029 0.0119 -0.0584 -0.0062 712 PHE A CE1 \n101 C CE2 . PHE A 20 ? 0.5369 0.4926 0.5832 0.0113 -0.0663 -0.0056 712 PHE A CE2 \n102 C CZ . PHE A 20 ? 0.5934 0.5490 0.6327 0.0079 -0.0623 -0.0052 712 PHE A CZ \n103 N N . LYS A 21 ? 0.5851 0.5316 0.6355 0.0380 -0.0617 -0.0122 713 LYS A N \n104 C CA . LYS A 21 ? 0.5833 0.5185 0.6194 0.0373 -0.0630 -0.0123 713 LYS A CA \n105 C C . LYS A 21 ? 0.6357 0.5763 0.6708 0.0357 -0.0559 -0.0123 713 LYS A C \n106 O O . LYS A 21 ? 0.5776 0.5274 0.6223 0.0399 -0.0498 -0.0134 713 LYS A O \n107 C CB . LYS A 21 ? 0.6447 0.5718 0.6792 0.0452 -0.0657 -0.0145 713 LYS A CB \n108 C CG . LYS A 21 ? 0.7942 0.7120 0.8262 0.0470 -0.0744 -0.0146 713 LYS A CG \n109 C CD . LYS A 21 ? 1.0478 0.9594 1.0806 0.0561 -0.0762 -0.0172 713 LYS A CD \n110 C CE . LYS A 21 ? 0.9047 0.8099 0.9397 0.0592 -0.0846 -0.0176 713 LYS A CE \n111 N NZ . LYS A 21 ? 0.9764 0.8743 1.0113 0.0684 -0.0869 -0.0203 713 LYS A NZ \n112 N N . LYS A 22 ? 0.5503 0.4849 0.5736 0.0295 -0.0571 -0.0108 714 LYS A N \n113 C CA . LYS A 22 ? 0.5983 0.5351 0.6184 0.0278 -0.0520 -0.0106 714 LYS A CA \n114 C C . LYS A 22 ? 0.6513 0.5786 0.6641 0.0333 -0.0525 -0.0122 714 LYS A C \n115 O O . LYS A 22 ? 0.6188 0.5331 0.6207 0.0335 -0.0585 -0.0123 714 LYS A O \n116 C CB . LYS A 22 ? 0.6461 0.5793 0.6566 0.0193 -0.0539 -0.0085 714 LYS A CB \n117 C CG . LYS A 22 ? 0.6952 0.6366 0.7107 0.0133 -0.0530 -0.0070 714 LYS A CG \n118 C CD . LYS A 22 ? 0.6996 0.6380 0.7060 0.0055 -0.0538 -0.0050 714 LYS A CD \n119 C CE . LYS A 22 ? 0.6853 0.6286 0.6933 -0.0006 -0.0539 -0.0036 714 LYS A CE \n120 N NZ . LYS A 22 ? 0.6756 0.6102 0.6776 -0.0020 -0.0602 -0.0031 714 LYS A NZ \n121 N N . ILE A 23 ? 0.5442 0.4768 0.5619 0.0378 -0.0463 -0.0136 715 ILE A N \n122 C CA . ILE A 23 ? 0.6316 0.5552 0.6425 0.0440 -0.0459 -0.0155 715 ILE A CA \n123 C C . ILE A 23 ? 0.6970 0.6143 0.6965 0.0408 -0.0447 -0.0149 715 ILE A C \n124 O O . ILE A 23 ? 0.6679 0.5716 0.6544 0.0413 -0.0490 -0.0151 715 ILE A O \n125 C CB . ILE A 23 ? 0.5406 0.4724 0.5633 0.0520 -0.0400 -0.0178 715 ILE A CB \n126 C CG1 . ILE A 23 ? 0.7073 0.6422 0.7398 0.0555 -0.0433 -0.0184 715 ILE A CG1 \n127 C CG2 . ILE A 23 ? 0.6282 0.5509 0.6430 0.0584 -0.0381 -0.0200 715 ILE A CG2 \n128 C CD1 . ILE A 23 ? 0.6901 0.6334 0.7357 0.0635 -0.0382 -0.0205 715 ILE A CD1 \n129 N N . LYS A 24 ? 0.5733 0.5001 0.5776 0.0374 -0.0396 -0.0139 716 LYS A N \n130 C CA . LYS A 24 ? 0.5657 0.4877 0.5607 0.0338 -0.0389 -0.0130 716 LYS A CA \n131 C C . LYS A 24 ? 0.6018 0.5341 0.6025 0.0269 -0.0368 -0.0110 716 LYS A C \n132 O O . LYS A 24 ? 0.4912 0.4354 0.5038 0.0266 -0.0335 -0.0109 716 LYS A O \n133 C CB . LYS A 24 ? 0.5531 0.4736 0.5466 0.0395 -0.0335 -0.0148 716 LYS A CB \n134 C CG . LYS A 24 ? 0.6711 0.5791 0.6557 0.0463 -0.0353 -0.0170 716 LYS A CG \n135 C CD . LYS A 24 ? 0.6245 0.5165 0.5919 0.0436 -0.0409 -0.0163 716 LYS A CD \n136 C CE . LYS A 24 ? 0.6951 0.5734 0.6535 0.0494 -0.0453 -0.0182 716 LYS A CE \n137 N NZ . LYS A 24 ? 0.7803 0.6553 0.7373 0.0579 -0.0403 -0.0212 716 LYS A NZ \n138 N N . VAL A 25 ? 0.5479 0.4754 0.5403 0.0214 -0.0388 -0.0094 717 VAL A N \n139 C CA . VAL A 25 ? 0.5797 0.5165 0.5772 0.0155 -0.0366 -0.0077 717 VAL A CA \n140 C C . VAL A 25 ? 0.5679 0.5116 0.5711 0.0181 -0.0305 -0.0085 717 VAL A C \n141 O O . VAL A 25 ? 0.5561 0.4932 0.5533 0.0220 -0.0291 -0.0096 717 VAL A O \n142 C CB . VAL A 25 ? 0.6752 0.6053 0.6631 0.0090 -0.0408 -0.0057 717 VAL A CB \n143 C CG1 . VAL A 25 ? 0.6255 0.5664 0.6205 0.0036 -0.0382 -0.0043 717 VAL A CG1 \n144 C CG2 . VAL A 25 ? 0.6742 0.5969 0.6553 0.0054 -0.0469 -0.0046 717 VAL A CG2 \n145 N N . LEU A 26 ? 0.4854 0.4416 0.4993 0.0160 -0.0270 -0.0080 718 LEU A N \n146 C CA . LEU A 26 ? 0.4266 0.3884 0.4445 0.0169 -0.0220 -0.0082 718 LEU A CA \n147 C C . LEU A 26 ? 0.4798 0.4421 0.4950 0.0109 -0.0235 -0.0065 718 LEU A C \n148 O O . LEU A 26 ? 0.4640 0.4199 0.4720 0.0109 -0.0239 -0.0064 718 LEU A O \n149 C CB . LEU A 26 ? 0.4616 0.4357 0.4927 0.0189 -0.0172 -0.0088 718 LEU A CB \n150 C CG . LEU A 26 ? 0.4637 0.4379 0.4987 0.0254 -0.0155 -0.0105 718 LEU A CG \n151 C CD1 . LEU A 26 ? 0.4676 0.4540 0.5162 0.0267 -0.0118 -0.0107 718 LEU A CD1 \n152 C CD2 . LEU A 26 ? 0.5541 0.5213 0.5826 0.0304 -0.0128 -0.0119 718 LEU A CD2 \n153 N N . GLY A 27 ? 0.4649 0.4345 0.4857 0.0059 -0.0244 -0.0053 719 GLY A N \n154 C CA . GLY A 27 ? 0.5634 0.5350 0.5834 0.0002 -0.0257 -0.0037 719 GLY A CA \n155 C C . GLY A 27 ? 0.7203 0.7009 0.7474 -0.0045 -0.0258 -0.0027 719 GLY A C \n156 O O . GLY A 27 ? 0.6658 0.6516 0.6986 -0.0035 -0.0244 -0.0033 719 GLY A O \n157 N N . SER A 28 ? 0.6398 0.6221 0.6664 -0.0098 -0.0273 -0.0013 720 SER A N \n158 C CA . SER A 28 ? 0.6494 0.6406 0.6824 -0.0146 -0.0266 -0.0004 720 SER A CA \n159 C C . SER A 28 ? 0.6178 0.6193 0.6603 -0.0150 -0.0230 -0.0007 720 SER A C \n160 O O . SER A 28 ? 0.6850 0.6859 0.7279 -0.0127 -0.0220 -0.0010 720 SER A O \n161 C CB . SER A 28 ? 0.8048 0.7918 0.8320 -0.0206 -0.0306 0.0014 720 SER A CB \n162 O OG . SER A 28 ? 0.8620 0.8410 0.8816 -0.0214 -0.0339 0.0017 720 SER A OG \n163 N N . GLY A 29 ? 0.7044 0.7145 0.7535 -0.0178 -0.0213 -0.0006 721 GLY A N \n164 C CA . GLY A 29 ? 0.6960 0.7159 0.7542 -0.0182 -0.0182 -0.0010 721 GLY A CA \n165 C C . GLY A 29 ? 0.7718 0.7984 0.8338 -0.0230 -0.0176 -0.0004 721 GLY A C \n166 O O . GLY A 29 ? 0.7501 0.7733 0.8072 -0.0262 -0.0195 0.0004 721 GLY A O \n167 N N . ALA A 30 ? 0.8690 0.9047 0.9395 -0.0233 -0.0149 -0.0009 722 ALA A N \n168 C CA . ALA A 30 ? 0.8869 0.9301 0.9621 -0.0272 -0.0131 -0.0008 722 ALA A CA \n169 C C . ALA A 30 ? 0.8699 0.9124 0.9424 -0.0280 -0.0122 -0.0012 722 ALA A C \n170 O O . ALA A 30 ? 0.7110 0.7539 0.7811 -0.0325 -0.0124 -0.0004 722 ALA A O \n171 C CB . ALA A 30 ? 0.9124 0.9648 0.9971 -0.0259 -0.0102 -0.0019 722 ALA A CB \n172 N N . PHE A 31 ? 0.6621 0.7032 0.7351 -0.0240 -0.0114 -0.0024 723 PHE A N \n173 C CA . PHE A 31 ? 0.5373 0.5777 0.6084 -0.0245 -0.0110 -0.0028 723 PHE A CA \n174 C C . PHE A 31 ? 0.5787 0.6097 0.6414 -0.0245 -0.0145 -0.0021 723 PHE A C \n175 O O . PHE A 31 ? 0.5892 0.6180 0.6487 -0.0261 -0.0152 -0.0021 723 PHE A O \n176 C CB . PHE A 31 ? 0.6469 0.6917 0.7240 -0.0208 -0.0086 -0.0043 723 PHE A CB \n177 C CG . PHE A 31 ? 0.6439 0.6971 0.7285 -0.0209 -0.0054 -0.0051 723 PHE A CG \n178 C CD1 . PHE A 31 ? 0.5928 0.6492 0.6831 -0.0171 -0.0040 -0.0060 723 PHE A CD1 \n179 C CD2 . PHE A 31 ? 0.5779 0.6359 0.6639 -0.0247 -0.0038 -0.0051 723 PHE A CD2 \n180 C CE1 . PHE A 31 ? 0.6524 0.7156 0.7491 -0.0169 -0.0017 -0.0069 723 PHE A CE1 \n181 C CE2 . PHE A 31 ? 0.4985 0.5643 0.5918 -0.0241 -0.0010 -0.0061 723 PHE A CE2 \n182 C CZ . PHE A 31 ? 0.5596 0.6275 0.6580 -0.0201 -0.0003 -0.0071 723 PHE A CZ \n183 N N . GLY A 32 ? 0.5278 0.5523 0.5863 -0.0227 -0.0170 -0.0017 724 GLY A N \n184 C CA . GLY A 32 ? 0.3769 0.3919 0.4274 -0.0221 -0.0207 -0.0012 724 GLY A CA \n185 C C . GLY A 32 ? 0.5134 0.5215 0.5601 -0.0181 -0.0225 -0.0014 724 GLY A C \n186 O O . GLY A 32 ? 0.5802 0.5901 0.6294 -0.0165 -0.0212 -0.0016 724 GLY A O \n187 N N . THR A 33 ? 0.4764 0.4762 0.5170 -0.0163 -0.0257 -0.0015 725 THR A N \n188 C CA . THR A 33 ? 0.4823 0.4736 0.5174 -0.0124 -0.0278 -0.0018 725 THR A CA \n189 C C . THR A 33 ? 0.4780 0.4682 0.5160 -0.0063 -0.0273 -0.0033 725 THR A C \n190 O O . THR A 33 ? 0.4210 0.4104 0.4595 -0.0061 -0.0289 -0.0034 725 THR A O \n191 C CB . THR A 33 ? 0.6312 0.6119 0.6553 -0.0156 -0.0328 -0.0006 725 THR A CB \n192 O OG1 . THR A 33 ? 0.5929 0.5754 0.6155 -0.0214 -0.0332 0.0009 725 THR A OG1 \n193 C CG2 . THR A 33 ? 0.5708 0.5414 0.5880 -0.0112 -0.0352 -0.0012 725 THR A CG2 \n194 N N . VAL A 34 ? 0.4022 0.3916 0.4414 -0.0015 -0.0253 -0.0042 726 VAL A N \n195 C CA . VAL A 34 ? 0.4419 0.4323 0.4860 0.0044 -0.0238 -0.0057 726 VAL A CA \n196 C C . VAL A 34 ? 0.4252 0.4055 0.4621 0.0088 -0.0260 -0.0065 726 VAL A C \n197 O O . VAL A 34 ? 0.4311 0.4047 0.4604 0.0087 -0.0268 -0.0063 726 VAL A O \n198 C CB . VAL A 34 ? 0.4085 0.4075 0.4612 0.0070 -0.0185 -0.0063 726 VAL A CB \n199 C CG1 . VAL A 34 ? 0.4253 0.4273 0.4848 0.0124 -0.0167 -0.0075 726 VAL A CG1 \n200 C CG2 . VAL A 34 ? 0.4510 0.4591 0.5102 0.0031 -0.0167 -0.0058 726 VAL A CG2 \n201 N N . TYR A 35 ? 0.4224 0.4013 0.4619 0.0127 -0.0273 -0.0074 727 TYR A N \n202 C CA . TYR A 35 ? 0.4083 0.3779 0.4422 0.0178 -0.0295 -0.0085 727 TYR A CA \n203 C C . TYR A 35 ? 0.4640 0.4392 0.5073 0.0243 -0.0258 -0.0101 727 TYR A C \n204 O O . TYR A 35 ? 0.4261 0.4106 0.4799 0.0244 -0.0240 -0.0100 727 TYR A O \n205 C CB . TYR A 35 ? 0.4395 0.4011 0.4676 0.0166 -0.0357 -0.0082 727 TYR A CB \n206 C CG . TYR A 35 ? 0.5156 0.4718 0.5346 0.0096 -0.0396 -0.0064 727 TYR A CG \n207 C CD1 . TYR A 35 ? 0.5819 0.5260 0.5887 0.0087 -0.0437 -0.0060 727 TYR A CD1 \n208 C CD2 . TYR A 35 ? 0.6136 0.5765 0.6360 0.0038 -0.0390 -0.0051 727 TYR A CD2 \n209 C CE1 . TYR A 35 ? 0.5355 0.4751 0.5344 0.0016 -0.0471 -0.0040 727 TYR A CE1 \n210 C CE2 . TYR A 35 ? 0.5874 0.5464 0.6021 -0.0027 -0.0417 -0.0034 727 TYR A CE2 \n211 C CZ . TYR A 35 ? 0.6596 0.6072 0.6630 -0.0041 -0.0458 -0.0027 727 TYR A CZ \n212 O OH . TYR A 35 ? 0.5373 0.4816 0.5337 -0.0112 -0.0485 -0.0007 727 TYR A OH \n213 N N . LYS A 36 ? 0.3901 0.3594 0.4296 0.0297 -0.0248 -0.0115 728 LYS A N \n214 C CA . LYS A 36 ? 0.4303 0.4034 0.4782 0.0365 -0.0220 -0.0132 728 LYS A CA \n215 C C . LYS A 36 ? 0.4869 0.4551 0.5348 0.0384 -0.0277 -0.0136 728 LYS A C \n216 O O . LYS A 36 ? 0.5013 0.4585 0.5382 0.0369 -0.0330 -0.0133 728 LYS A O \n217 C CB . LYS A 36 ? 0.5029 0.4705 0.5455 0.0419 -0.0186 -0.0148 728 LYS A CB \n218 C CG . LYS A 36 ? 0.6256 0.5983 0.6778 0.0491 -0.0145 -0.0167 728 LYS A CG \n219 C CD . LYS A 36 ? 0.5212 0.4864 0.5657 0.0546 -0.0112 -0.0185 728 LYS A CD \n220 C CE . LYS A 36 ? 0.6339 0.5857 0.6682 0.0579 -0.0166 -0.0198 728 LYS A CE \n221 N NZ . LYS A 36 ? 0.6462 0.5889 0.6706 0.0629 -0.0134 -0.0216 728 LYS A NZ \n222 N N . GLY A 37 ? 0.4750 0.4507 0.5347 0.0415 -0.0271 -0.0141 729 GLY A N \n223 C CA . GLY A 37 ? 0.4963 0.4672 0.5566 0.0434 -0.0331 -0.0144 729 GLY A CA \n224 C C . GLY A 37 ? 0.4489 0.4271 0.5229 0.0495 -0.0317 -0.0156 729 GLY A C \n225 O O . GLY A 37 ? 0.3944 0.3817 0.4776 0.0524 -0.0254 -0.0163 729 GLY A O \n226 N N . LEU A 38 ? 0.5185 0.4925 0.5939 0.0512 -0.0379 -0.0158 730 LEU A N \n227 C CA . LEU A 38 ? 0.4975 0.4788 0.5874 0.0564 -0.0380 -0.0167 730 LEU A CA \n228 C C . LEU A 38 ? 0.4499 0.4324 0.5437 0.0525 -0.0441 -0.0152 730 LEU A C \n229 O O . LEU A 38 ? 0.5295 0.5021 0.6126 0.0486 -0.0504 -0.0143 730 LEU A O \n230 C CB . LEU A 38 ? 0.6831 0.6574 0.7722 0.0642 -0.0403 -0.0189 730 LEU A CB \n231 C CG . LEU A 38 ? 0.6703 0.6452 0.7594 0.0704 -0.0335 -0.0210 730 LEU A CG \n232 C CD1 . LEU A 38 ? 0.6819 0.6476 0.7684 0.0779 -0.0372 -0.0233 730 LEU A CD1 \n233 C CD2 . LEU A 38 ? 0.7618 0.7519 0.8667 0.0729 -0.0256 -0.0212 730 LEU A CD2 \n234 N N . TRP A 39 ? 0.5003 0.4945 0.6088 0.0531 -0.0421 -0.0147 731 TRP A N \n235 C CA . TRP A 39 ? 0.4490 0.4439 0.5620 0.0503 -0.0481 -0.0135 731 TRP A CA \n236 C C . TRP A 39 ? 0.5233 0.5204 0.6484 0.0570 -0.0516 -0.0145 731 TRP A C \n237 O O . TRP A 39 ? 0.4699 0.4773 0.6087 0.0618 -0.0466 -0.0154 731 TRP A O \n238 C CB . TRP A 39 ? 0.5252 0.5302 0.6450 0.0454 -0.0449 -0.0119 731 TRP A CB \n239 C CG . TRP A 39 ? 0.5772 0.5833 0.7026 0.0430 -0.0508 -0.0107 731 TRP A CG \n240 C CD1 . TRP A 39 ? 0.6799 0.6758 0.7979 0.0410 -0.0591 -0.0102 731 TRP A CD1 \n241 C CD2 . TRP A 39 ? 0.6790 0.6959 0.8175 0.0419 -0.0494 -0.0097 731 TRP A CD2 \n242 N NE1 . TRP A 39 ? 0.7321 0.7315 0.8574 0.0390 -0.0629 -0.0090 731 TRP A NE1 \n243 C CE2 . TRP A 39 ? 0.6477 0.6600 0.7859 0.0395 -0.0572 -0.0087 731 TRP A CE2 \n244 C CE3 . TRP A 39 ? 0.5756 0.6048 0.7253 0.0425 -0.0426 -0.0095 731 TRP A CE3 \n245 C CZ2 . TRP A 39 ? 0.7745 0.7940 0.9232 0.0378 -0.0586 -0.0075 731 TRP A CZ2 \n246 C CZ3 . TRP A 39 ? 0.6856 0.7224 0.8462 0.0407 -0.0439 -0.0082 731 TRP A CZ3 \n247 C CH2 . TRP A 39 ? 0.7032 0.7351 0.8634 0.0385 -0.0519 -0.0073 731 TRP A CH2 \n248 N N . ILE A 40 ? 0.5550 0.5420 0.6747 0.0570 -0.0602 -0.0144 732 ILE A N \n249 C CA . ILE A 40 ? 0.6524 0.6397 0.7827 0.0628 -0.0656 -0.0152 732 ILE A CA \n250 C C . ILE A 40 ? 0.6218 0.6096 0.7559 0.0582 -0.0721 -0.0133 732 ILE A C \n251 O O . ILE A 40 ? 0.7091 0.6851 0.8313 0.0545 -0.0795 -0.0125 732 ILE A O \n252 C CB . ILE A 40 ? 0.6609 0.6339 0.7807 0.0668 -0.0715 -0.0167 732 ILE A CB \n253 C CG1 . ILE A 40 ? 0.6670 0.6368 0.7788 0.0699 -0.0655 -0.0183 732 ILE A CG1 \n254 C CG2 . ILE A 40 ? 0.8103 0.7845 0.9428 0.0741 -0.0766 -0.0179 732 ILE A CG2 \n255 C CD1 . ILE A 40 ? 0.7342 0.6869 0.8274 0.0689 -0.0711 -0.0187 732 ILE A CD1 \n256 N N . PRO A 41 ? 0.6345 0.6352 0.7837 0.0579 -0.0693 -0.0125 733 PRO A N \n257 C CA . PRO A 41 ? 0.6905 0.6909 0.8432 0.0539 -0.0760 -0.0107 733 PRO A CA \n258 C C . PRO A 41 ? 0.7821 0.7723 0.9336 0.0569 -0.0862 -0.0110 733 PRO A C \n259 O O . PRO A 41 ? 0.5827 0.5737 0.7418 0.0643 -0.0870 -0.0127 733 PRO A O \n260 C CB . PRO A 41 ? 0.7509 0.7670 0.9231 0.0557 -0.0718 -0.0102 733 PRO A CB \n261 C CG . PRO A 41 ? 0.7176 0.7419 0.8915 0.0570 -0.0612 -0.0110 733 PRO A CG \n262 C CD . PRO A 41 ? 0.7353 0.7505 0.8981 0.0607 -0.0602 -0.0129 733 PRO A CD \n263 N N . GLU A 42 ? 0.8490 0.8293 0.9904 0.0513 -0.0939 -0.0095 734 GLU A N \n264 C CA . GLU A 42 ? 1.1664 1.1326 1.3001 0.0526 -0.1043 -0.0097 734 GLU A CA \n265 C C . GLU A 42 ? 1.1970 1.1660 1.3464 0.0603 -0.1098 -0.0106 734 GLU A C \n266 O O . GLU A 42 ? 1.1585 1.1211 1.3061 0.0661 -0.1124 -0.0124 734 GLU A O \n267 C CB . GLU A 42 ? 1.3563 1.3120 1.4768 0.0446 -0.1111 -0.0076 734 GLU A CB \n268 C CG . GLU A 42 ? 1.5131 1.4771 1.6415 0.0403 -0.1102 -0.0060 734 GLU A CG \n269 C CD . GLU A 42 ? 1.7189 1.6734 1.8304 0.0316 -0.1126 -0.0044 734 GLU A CD \n270 O OE1 . GLU A 42 ? 1.6803 1.6203 1.7788 0.0290 -0.1208 -0.0037 734 GLU A OE1 \n271 O OE2 . GLU A 42 ? 1.6609 1.6224 1.7719 0.0273 -0.1061 -0.0038 734 GLU A OE2 \n272 N N . GLY A 43 ? 0.9273 0.9058 1.0924 0.0604 -0.1116 -0.0096 735 GLY A N \n273 C CA . GLY A 43 ? 1.2413 1.2231 1.4229 0.0671 -0.1178 -0.0102 735 GLY A CA \n274 C C . GLY A 43 ? 1.1310 1.1278 1.3312 0.0750 -0.1099 -0.0120 735 GLY A C \n275 O O . GLY A 43 ? 1.0334 1.0323 1.2459 0.0823 -0.1135 -0.0134 735 GLY A O \n276 N N . GLU A 44 ? 1.0028 1.0097 1.2045 0.0734 -0.0990 -0.0121 736 GLU A N \n277 C CA . GLU A 44 ? 0.9093 0.9317 1.1285 0.0795 -0.0901 -0.0134 736 GLU A CA \n278 C C . GLU A 44 ? 0.9792 0.9973 1.1934 0.0864 -0.0861 -0.0162 736 GLU A C \n279 O O . GLU A 44 ? 0.9644 0.9675 1.1617 0.0861 -0.0908 -0.0170 736 GLU A O \n280 C CB . GLU A 44 ? 0.9439 0.9772 1.1652 0.0745 -0.0808 -0.0121 736 GLU A CB \n281 C CG . GLU A 44 ? 0.8991 0.9310 1.1169 0.0664 -0.0852 -0.0095 736 GLU A CG \n282 C CD . GLU A 44 ? 1.0263 1.0690 1.2476 0.0620 -0.0768 -0.0083 736 GLU A CD \n283 O OE1 . GLU A 44 ? 0.9260 0.9636 1.1353 0.0550 -0.0774 -0.0070 736 GLU A OE1 \n284 O OE2 . GLU A 44 ? 1.1291 1.1851 1.3650 0.0654 -0.0695 -0.0087 736 GLU A OE2 \n285 N N . LYS A 45 ? 0.8575 0.8882 1.0857 0.0924 -0.0776 -0.0177 737 LYS A N \n286 C CA . LYS A 45 ? 1.0232 1.0497 1.2471 0.0998 -0.0737 -0.0207 737 LYS A CA \n287 C C . LYS A 45 ? 1.1394 1.1733 1.3618 0.1003 -0.0610 -0.0216 737 LYS A C \n288 O O . LYS A 45 ? 1.2995 1.3415 1.5326 0.1074 -0.0543 -0.0236 737 LYS A O \n289 C CB . LYS A 45 ? 1.2102 1.2412 1.4514 0.1091 -0.0770 -0.0226 737 LYS A CB \n290 C CG . LYS A 45 ? 1.3034 1.3224 1.5417 0.1099 -0.0906 -0.0223 737 LYS A CG \n291 C CD . LYS A 45 ? 1.4089 1.4304 1.6623 0.1205 -0.0938 -0.0249 737 LYS A CD \n292 C CE . LYS A 45 ? 1.4770 1.4851 1.7159 0.1267 -0.0934 -0.0280 737 LYS A CE \n293 N NZ . LYS A 45 ? 1.4929 1.5040 1.7476 0.1378 -0.0964 -0.0308 737 LYS A NZ \n294 N N . VAL A 46 ? 0.9539 0.9849 1.1628 0.0928 -0.0578 -0.0201 738 VAL A N \n295 C CA . VAL A 46 ? 0.8091 0.8451 1.0140 0.0922 -0.0468 -0.0207 738 VAL A CA \n296 C C . VAL A 46 ? 0.7822 0.8057 0.9646 0.0868 -0.0466 -0.0204 738 VAL A C \n297 O O . VAL A 46 ? 0.5589 0.5726 0.7300 0.0814 -0.0537 -0.0191 738 VAL A O \n298 C CB . VAL A 46 ? 0.8603 0.9119 1.0784 0.0884 -0.0403 -0.0188 738 VAL A CB \n299 C CG1 . VAL A 46 ? 0.9984 1.0644 1.2397 0.0942 -0.0378 -0.0193 738 VAL A CG1 \n300 C CG2 . VAL A 46 ? 0.7309 0.7814 0.9458 0.0800 -0.0457 -0.0161 738 VAL A CG2 \n301 N N . LYS A 47 ? 0.6855 0.7094 0.8618 0.0882 -0.0382 -0.0216 739 LYS A N \n302 C CA . LYS A 47 ? 0.7141 0.7284 0.8714 0.0831 -0.0369 -0.0211 739 LYS A CA \n303 C C . LYS A 47 ? 0.5750 0.5997 0.7355 0.0789 -0.0285 -0.0199 739 LYS A C \n304 O O . LYS A 47 ? 0.5541 0.5880 0.7239 0.0827 -0.0208 -0.0208 739 LYS A O \n305 C CB . LYS A 47 ? 0.6464 0.6502 0.7920 0.0884 -0.0352 -0.0236 739 LYS A CB \n306 C CG . LYS A 47 ? 0.8120 0.8031 0.9515 0.0926 -0.0439 -0.0249 739 LYS A CG \n307 C CD . LYS A 47 ? 0.8257 0.8089 0.9573 0.0996 -0.0407 -0.0278 739 LYS A CD \n308 C CE . LYS A 47 ? 0.8535 0.8206 0.9739 0.1026 -0.0498 -0.0290 739 LYS A CE \n309 N NZ . LYS A 47 ? 0.7836 0.7417 0.8942 0.1091 -0.0464 -0.0319 739 LYS A NZ \n310 N N . ILE A 48 ? 0.6242 0.6472 0.7771 0.0711 -0.0299 -0.0179 740 ILE A N \n311 C CA . ILE A 48 ? 0.4873 0.5194 0.6429 0.0670 -0.0229 -0.0167 740 ILE A CA \n312 C C . ILE A 48 ? 0.4382 0.4622 0.5770 0.0627 -0.0210 -0.0165 740 ILE A C \n313 O O . ILE A 48 ? 0.4231 0.4389 0.5512 0.0581 -0.0264 -0.0156 740 ILE A O \n314 C CB . ILE A 48 ? 0.5364 0.5760 0.7005 0.0616 -0.0255 -0.0145 740 ILE A CB \n315 C CG1 . ILE A 48 ? 0.4896 0.5371 0.6711 0.0655 -0.0282 -0.0144 740 ILE A CG1 \n316 C CG2 . ILE A 48 ? 0.4709 0.5188 0.6372 0.0575 -0.0187 -0.0134 740 ILE A CG2 \n317 C CD1 . ILE A 48 ? 0.5101 0.5589 0.6957 0.0605 -0.0348 -0.0124 740 ILE A CD1 \n318 N N . PRO A 49 ? 0.4620 0.4882 0.5985 0.0642 -0.0135 -0.0173 741 PRO A N \n319 C CA . PRO A 49 ? 0.4508 0.4699 0.5724 0.0601 -0.0119 -0.0169 741 PRO A CA \n320 C C . PRO A 49 ? 0.4429 0.4656 0.5636 0.0525 -0.0129 -0.0148 741 PRO A C \n321 O O . PRO A 49 ? 0.4329 0.4659 0.5639 0.0508 -0.0097 -0.0138 741 PRO A O \n322 C CB . PRO A 49 ? 0.4452 0.4677 0.5675 0.0633 -0.0035 -0.0179 741 PRO A CB \n323 C CG . PRO A 49 ? 0.4767 0.5061 0.6123 0.0703 -0.0007 -0.0193 741 PRO A CG \n324 C CD . PRO A 49 ? 0.4725 0.5084 0.6204 0.0690 -0.0059 -0.0182 741 PRO A CD \n325 N N . VAL A 50 ? 0.4513 0.4652 0.5597 0.0480 -0.0172 -0.0141 742 VAL A N \n326 C CA . VAL A 50 ? 0.4420 0.4583 0.5484 0.0411 -0.0184 -0.0124 742 VAL A CA \n327 C C . VAL A 50 ? 0.4083 0.4179 0.5016 0.0373 -0.0178 -0.0121 742 VAL A C \n328 O O . VAL A 50 ? 0.4027 0.4032 0.4862 0.0391 -0.0190 -0.0129 742 VAL A O \n329 C CB . VAL A 50 ? 0.4323 0.4458 0.5388 0.0383 -0.0254 -0.0116 742 VAL A CB \n330 C CG1 . VAL A 50 ? 0.4662 0.4876 0.5870 0.0410 -0.0263 -0.0115 742 VAL A CG1 \n331 C CG2 . VAL A 50 ? 0.4472 0.4481 0.5425 0.0390 -0.0314 -0.0120 742 VAL A CG2 \n332 N N . ALA A 51 ? 0.3559 0.3703 0.4495 0.0322 -0.0161 -0.0109 743 ALA A N \n333 C CA . ALA A 51 ? 0.3627 0.3718 0.4456 0.0275 -0.0169 -0.0102 743 ALA A CA \n334 C C . ALA A 51 ? 0.3415 0.3486 0.4217 0.0227 -0.0219 -0.0092 743 ALA A C \n335 O O . ALA A 51 ? 0.3424 0.3548 0.4298 0.0218 -0.0229 -0.0088 743 ALA A O \n336 C CB . ALA A 51 ? 0.3176 0.3334 0.4030 0.0252 -0.0120 -0.0098 743 ALA A CB \n337 N N . ILE A 52 ? 0.3550 0.3537 0.4241 0.0195 -0.0252 -0.0087 744 ILE A N \n338 C CA . ILE A 52 ? 0.3208 0.3162 0.3852 0.0146 -0.0296 -0.0077 744 ILE A CA \n339 C C . ILE A 52 ? 0.3993 0.3946 0.4576 0.0089 -0.0285 -0.0067 744 ILE A C \n340 O O . ILE A 52 ? 0.3874 0.3772 0.4385 0.0086 -0.0287 -0.0066 744 ILE A O \n341 C CB . ILE A 52 ? 0.3975 0.3817 0.4537 0.0157 -0.0355 -0.0078 744 ILE A CB \n342 C CG1 . ILE A 52 ? 0.4130 0.3977 0.4766 0.0219 -0.0369 -0.0089 744 ILE A CG1 \n343 C CG2 . ILE A 52 ? 0.4103 0.3898 0.4598 0.0098 -0.0399 -0.0065 744 ILE A CG2 \n344 C CD1 . ILE A 52 ? 0.5386 0.5119 0.5948 0.0249 -0.0422 -0.0096 744 ILE A CD1 \n345 N N . LYS A 53 ? 0.3721 0.3735 0.4336 0.0048 -0.0272 -0.0060 745 LYS A N \n346 C CA . LYS A 53 ? 0.3851 0.3878 0.4425 -0.0005 -0.0259 -0.0052 745 LYS A CA \n347 C C . LYS A 53 ? 0.4788 0.4769 0.5293 -0.0056 -0.0295 -0.0042 745 LYS A C \n348 O O . LYS A 53 ? 0.4724 0.4724 0.5253 -0.0068 -0.0302 -0.0042 745 LYS A O \n349 C CB . LYS A 53 ? 0.3374 0.3504 0.4031 -0.0012 -0.0212 -0.0054 745 LYS A CB \n350 C CG . LYS A 53 ? 0.3772 0.3928 0.4406 -0.0058 -0.0196 -0.0047 745 LYS A CG \n351 C CD . LYS A 53 ? 0.3706 0.3945 0.4416 -0.0046 -0.0153 -0.0052 745 LYS A CD \n352 C CE . LYS A 53 ? 0.4141 0.4407 0.4840 -0.0085 -0.0141 -0.0047 745 LYS A CE \n353 N NZ . LYS A 53 ? 0.4602 0.4932 0.5365 -0.0069 -0.0107 -0.0052 745 LYS A NZ \n354 N N . GLU A 54 ? 0.4315 0.4227 0.4729 -0.0089 -0.0318 -0.0033 746 GLU A N \n355 C CA . GLU A 54 ? 0.4188 0.4055 0.4525 -0.0149 -0.0345 -0.0020 746 GLU A CA \n356 C C . GLU A 54 ? 0.5190 0.5125 0.5540 -0.0199 -0.0310 -0.0014 746 GLU A C \n357 O O . GLU A 54 ? 0.5046 0.4993 0.5396 -0.0204 -0.0298 -0.0010 746 GLU A O \n358 C CB . GLU A 54 ? 0.4863 0.4613 0.5092 -0.0159 -0.0395 -0.0012 746 GLU A CB \n359 C CG . GLU A 54 ? 0.5544 0.5226 0.5684 -0.0215 -0.0433 0.0000 746 GLU A CG \n360 C CD . GLU A 54 ? 0.7303 0.6852 0.7338 -0.0210 -0.0494 0.0005 746 GLU A CD \n361 O OE1 . GLU A 54 ? 0.7859 0.7363 0.7852 -0.0204 -0.0505 0.0007 746 GLU A OE1 \n362 O OE2 . GLU A 54 ? 0.7327 0.6809 0.7318 -0.0211 -0.0537 0.0006 746 GLU A OE2 \n363 N N . LEU A 55 ? 0.5468 0.5442 0.5829 -0.0234 -0.0295 -0.0012 747 LEU A N \n364 C CA . LEU A 55 ? 0.6078 0.6135 0.6476 -0.0269 -0.0253 -0.0010 747 LEU A CA \n365 C C . LEU A 55 ? 0.7493 0.7523 0.7821 -0.0331 -0.0262 0.0004 747 LEU A C \n366 O O . LEU A 55 ? 0.6291 0.6230 0.6528 -0.0357 -0.0302 0.0015 747 LEU A O \n367 C CB . LEU A 55 ? 0.5203 0.5318 0.5645 -0.0275 -0.0226 -0.0018 747 LEU A CB \n368 C CG . LEU A 55 ? 0.5849 0.5998 0.6365 -0.0224 -0.0220 -0.0031 747 LEU A CG \n369 C CD1 . LEU A 55 ? 0.6954 0.7155 0.7500 -0.0239 -0.0193 -0.0038 747 LEU A CD1 \n370 C CD2 . LEU A 55 ? 0.5867 0.6064 0.6457 -0.0178 -0.0198 -0.0037 747 LEU A CD2 \n371 N N . ARG A 56 ? 0.8219 0.8329 0.8596 -0.0355 -0.0226 0.0006 748 ARG A N \n372 C CA . ARG A 56 ? 1.1080 1.1195 1.1418 -0.0420 -0.0223 0.0021 748 ARG A CA \n373 C C . ARG A 56 ? 1.0388 1.0509 1.0694 -0.0460 -0.0206 0.0021 748 ARG A C \n374 O O . ARG A 56 ? 0.7229 0.7402 0.7583 -0.0440 -0.0176 0.0007 748 ARG A O \n375 C CB . ARG A 56 ? 1.1845 1.2057 1.2267 -0.0428 -0.0188 0.0020 748 ARG A CB \n376 C CG . ARG A 56 ? 1.3936 1.4149 1.4396 -0.0384 -0.0196 0.0017 748 ARG A CG \n377 C CD . ARG A 56 ? 1.4596 1.4761 1.5009 -0.0413 -0.0228 0.0034 748 ARG A CD \n378 N NE . ARG A 56 ? 1.5199 1.5339 1.5623 -0.0368 -0.0241 0.0030 748 ARG A NE \n379 C CZ . ARG A 56 ? 1.5598 1.5723 1.6013 -0.0384 -0.0260 0.0041 748 ARG A CZ \n380 N NH1 . ARG A 56 ? 1.4878 1.4968 1.5289 -0.0341 -0.0269 0.0035 748 ARG A NH1 \n381 N NH2 . ARG A 56 ? 1.5250 1.5393 1.5659 -0.0444 -0.0269 0.0059 748 ARG A NH2 \n382 N N . GLU A 57 ? 1.2379 1.2438 1.2593 -0.0517 -0.0227 0.0038 749 GLU A N \n383 C CA . GLU A 57 ? 1.3739 1.3784 1.3896 -0.0563 -0.0212 0.0041 749 GLU A CA \n384 C C . GLU A 57 ? 1.4962 1.5115 1.5174 -0.0600 -0.0151 0.0039 749 GLU A C \n385 O O . GLU A 57 ? 1.6001 1.6236 1.6296 -0.0596 -0.0129 0.0039 749 GLU A O \n386 C CB . GLU A 57 ? 1.3684 1.3614 1.3712 -0.0615 -0.0258 0.0061 749 GLU A CB \n387 C CG . GLU A 57 ? 1.5587 1.5401 1.5553 -0.0577 -0.0322 0.0061 749 GLU A CG \n388 C CD . GLU A 57 ? 1.6847 1.6535 1.6677 -0.0629 -0.0374 0.0082 749 GLU A CD \n389 O OE1 . GLU A 57 ? 1.6527 1.6217 1.6305 -0.0700 -0.0358 0.0098 749 GLU A OE1 \n390 O OE2 . GLU A 57 ? 1.8156 1.7743 1.7932 -0.0598 -0.0431 0.0082 749 GLU A OE2 \n391 N N . ALA A 58 ? 1.4459 1.4609 1.4624 -0.0635 -0.0126 0.0037 750 ALA A N \n392 C CA . ALA A 58 ? 1.4919 1.5165 1.5125 -0.0672 -0.0063 0.0033 750 ALA A CA \n393 C C . ALA A 58 ? 1.5944 1.6135 1.6037 -0.0748 -0.0056 0.0049 750 ALA A C \n394 O O . ALA A 58 ? 1.7984 1.8057 1.7963 -0.0764 -0.0100 0.0058 750 ALA A O \n395 C CB . ALA A 58 ? 1.3958 1.4268 1.4228 -0.0632 -0.0021 0.0008 750 ALA A CB \n396 N N . THR A 59 ? 1.5547 1.5824 1.5674 -0.0794 -0.0001 0.0053 751 THR A N \n397 C CA . THR A 59 ? 1.5666 1.5906 1.5692 -0.0871 0.0018 0.0068 751 THR A CA \n398 C C . THR A 59 ? 1.5758 1.5949 1.5705 -0.0869 0.0040 0.0053 751 THR A C \n399 O O . THR A 59 ? 1.4822 1.4902 1.4632 -0.0914 0.0017 0.0065 751 THR A O \n400 C CB . THR A 59 ? 1.4814 1.5178 1.4915 -0.0918 0.0081 0.0075 751 THR A CB \n401 O OG1 . THR A 59 ? 1.2875 1.3301 1.3077 -0.0907 0.0061 0.0084 751 THR A OG1 \n402 C CG2 . THR A 59 ? 1.2617 1.2932 1.2605 -0.1009 0.0093 0.0099 751 THR A CG2 \n403 N N . SER A 60 ? 1.5251 1.5517 1.5280 -0.0818 0.0080 0.0026 752 SER A N \n404 C CA . SER A 60 ? 1.7078 1.7293 1.7041 -0.0805 0.0093 0.0009 752 SER A CA \n405 C C . SER A 60 ? 1.6285 1.6482 1.6299 -0.0729 0.0055 -0.0006 752 SER A C \n406 O O . SER A 60 ? 1.5703 1.5985 1.5817 -0.0682 0.0087 -0.0027 752 SER A O \n407 C CB . SER A 60 ? 1.6547 1.6855 1.6546 -0.0816 0.0178 -0.0009 752 SER A CB \n408 O OG . SER A 60 ? 1.5039 1.5285 1.4960 -0.0802 0.0188 -0.0027 752 SER A OG \n409 N N . PRO A 61 ? 1.5006 1.5094 1.4955 -0.0716 -0.0015 0.0003 753 PRO A N \n410 C CA . PRO A 61 ? 1.3478 1.3554 1.3483 -0.0648 -0.0052 -0.0008 753 PRO A CA \n411 C C . PRO A 61 ? 1.2333 1.2375 1.2304 -0.0631 -0.0046 -0.0024 753 PRO A C \n412 O O . PRO A 61 ? 1.1256 1.1245 1.1123 -0.0674 -0.0028 -0.0024 753 PRO A O \n413 C CB . PRO A 61 ? 1.3646 1.3613 1.3586 -0.0646 -0.0127 0.0008 753 PRO A CB \n414 C CG . PRO A 61 ? 1.3697 1.3608 1.3534 -0.0718 -0.0134 0.0030 753 PRO A CG \n415 C CD . PRO A 61 ? 1.3088 1.3053 1.2904 -0.0766 -0.0064 0.0026 753 PRO A CD \n416 N N . LYS A 62 ? 1.1578 1.1646 1.1629 -0.0570 -0.0062 -0.0037 754 LYS A N \n417 C CA . LYS A 62 ? 0.9913 0.9940 0.9936 -0.0551 -0.0070 -0.0051 754 LYS A CA \n418 C C . LYS A 62 ? 0.9257 0.9148 0.9173 -0.0563 -0.0140 -0.0038 754 LYS A C \n419 O O . LYS A 62 ? 0.9143 0.8987 0.9044 -0.0563 -0.0188 -0.0023 754 LYS A O \n420 C CB . LYS A 62 ? 0.8340 0.8438 0.8488 -0.0487 -0.0069 -0.0065 754 LYS A CB \n421 C CG . LYS A 62 ? 0.8269 0.8487 0.8513 -0.0471 -0.0005 -0.0079 754 LYS A CG \n422 C CD . LYS A 62 ? 0.8297 0.8571 0.8652 -0.0412 -0.0010 -0.0091 754 LYS A CD \n423 C CE . LYS A 62 ? 0.8751 0.9132 0.9194 -0.0396 0.0045 -0.0106 754 LYS A CE \n424 N NZ . LYS A 62 ? 0.8804 0.9229 0.9343 -0.0343 0.0038 -0.0116 754 LYS A NZ \n425 N N . ALA A 63 ? 0.8671 0.8494 0.8510 -0.0573 -0.0150 -0.0045 755 ALA A N \n426 C CA . ALA A 63 ? 0.8306 0.7997 0.8051 -0.0580 -0.0224 -0.0034 755 ALA A CA \n427 C C . ALA A 63 ? 0.7631 0.7333 0.7477 -0.0520 -0.0279 -0.0033 755 ALA A C \n428 O O . ALA A 63 ? 0.6261 0.6060 0.6231 -0.0475 -0.0255 -0.0044 755 ALA A O \n429 C CB . ALA A 63 ? 0.8198 0.7814 0.7843 -0.0600 -0.0223 -0.0043 755 ALA A CB \n430 N N . ASN A 64 ? 0.7207 0.6810 0.7001 -0.0520 -0.0351 -0.0020 756 ASN A N \n431 C CA . ASN A 64 ? 0.7466 0.7080 0.7358 -0.0462 -0.0402 -0.0020 756 ASN A CA \n432 C C . ASN A 64 ? 0.6435 0.6089 0.6407 -0.0426 -0.0403 -0.0031 756 ASN A C \n433 O O . ASN A 64 ? 0.6698 0.6435 0.6800 -0.0376 -0.0398 -0.0036 756 ASN A O \n434 C CB . ASN A 64 ? 0.7970 0.7460 0.7785 -0.0468 -0.0485 -0.0006 756 ASN A CB \n435 C CG . ASN A 64 ? 0.8562 0.8025 0.8338 -0.0484 -0.0495 0.0004 756 ASN A CG \n436 O OD1 . ASN A 64 ? 0.8723 0.8078 0.8422 -0.0494 -0.0560 0.0016 756 ASN A OD1 \n437 N ND2 . ASN A 64 ? 0.8060 0.7616 0.7890 -0.0486 -0.0436 0.0002 756 ASN A ND2 \n438 N N . LYS A 65 ? 0.6292 0.5884 0.6180 -0.0452 -0.0409 -0.0035 757 LYS A N \n439 C CA . LYS A 65 ? 0.6983 0.6592 0.6930 -0.0423 -0.0421 -0.0043 757 LYS A CA \n440 C C . LYS A 65 ? 0.6684 0.6420 0.6741 -0.0396 -0.0354 -0.0058 757 LYS A C \n441 O O . LYS A 65 ? 0.4950 0.4735 0.5108 -0.0357 -0.0365 -0.0061 757 LYS A O \n442 C CB . LYS A 65 ? 0.7462 0.6956 0.7275 -0.0459 -0.0449 -0.0044 757 LYS A CB \n443 C CG . LYS A 65 ? 0.8235 0.7718 0.7942 -0.0503 -0.0382 -0.0054 757 LYS A CG \n444 C CD . LYS A 65 ? 0.8875 0.8232 0.8441 -0.0535 -0.0411 -0.0056 757 LYS A CD \n445 C CE . LYS A 65 ? 1.0394 0.9751 0.9864 -0.0571 -0.0333 -0.0070 757 LYS A CE \n446 N NZ . LYS A 65 ? 1.2974 1.2194 1.2288 -0.0602 -0.0360 -0.0074 757 LYS A NZ \n447 N N . GLU A 66 ? 0.5339 0.5129 0.5379 -0.0417 -0.0287 -0.0065 758 GLU A N \n448 C CA . GLU A 66 ? 0.5727 0.5636 0.5871 -0.0390 -0.0226 -0.0079 758 GLU A CA \n449 C C . GLU A 66 ? 0.5628 0.5620 0.5901 -0.0348 -0.0227 -0.0075 758 GLU A C \n450 O O . GLU A 66 ? 0.5319 0.5383 0.5696 -0.0311 -0.0213 -0.0082 758 GLU A O \n451 C CB . GLU A 66 ? 0.7101 0.7046 0.7198 -0.0424 -0.0158 -0.0087 758 GLU A CB \n452 C CG . GLU A 66 ? 0.9416 0.9464 0.9599 -0.0399 -0.0098 -0.0106 758 GLU A CG \n453 C CD . GLU A 66 ? 1.1205 1.1299 1.1358 -0.0430 -0.0030 -0.0115 758 GLU A CD \n454 O OE1 . GLU A 66 ? 1.3700 1.3894 1.3945 -0.0408 0.0015 -0.0126 758 GLU A OE1 \n455 O OE2 . GLU A 66 ? 1.0307 1.0336 1.0344 -0.0478 -0.0022 -0.0110 758 GLU A OE2 \n456 N N . ILE A 67 ? 0.4829 0.4803 0.5086 -0.0357 -0.0244 -0.0063 759 ILE A N \n457 C CA . ILE A 67 ? 0.4997 0.5022 0.5350 -0.0318 -0.0254 -0.0058 759 ILE A CA \n458 C C . ILE A 67 ? 0.4590 0.4609 0.5016 -0.0275 -0.0299 -0.0056 759 ILE A C \n459 O O . ILE A 67 ? 0.4433 0.4528 0.4968 -0.0236 -0.0284 -0.0059 759 ILE A O \n460 C CB . ILE A 67 ? 0.5400 0.5374 0.5694 -0.0337 -0.0276 -0.0046 759 ILE A CB \n461 C CG1 . ILE A 67 ? 0.5931 0.5944 0.6195 -0.0374 -0.0225 -0.0046 759 ILE A CG1 \n462 C CG2 . ILE A 67 ? 0.5420 0.5415 0.5793 -0.0291 -0.0301 -0.0042 759 ILE A CG2 \n463 C CD1 . ILE A 67 ? 0.5535 0.5491 0.5725 -0.0405 -0.0247 -0.0031 759 ILE A CD1 \n464 N N . LEU A 68 ? 0.4029 0.3958 0.4394 -0.0286 -0.0355 -0.0049 760 LEU A N \n465 C CA . LEU A 68 ? 0.5517 0.5445 0.5960 -0.0249 -0.0403 -0.0046 760 LEU A CA \n466 C C . LEU A 68 ? 0.5372 0.5366 0.5894 -0.0232 -0.0379 -0.0054 760 LEU A C \n467 O O . LEU A 68 ? 0.4592 0.4645 0.5228 -0.0194 -0.0385 -0.0052 760 LEU A O \n468 C CB . LEU A 68 ? 0.4702 0.4514 0.5062 -0.0267 -0.0475 -0.0037 760 LEU A CB \n469 C CG . LEU A 68 ? 0.5156 0.4901 0.5461 -0.0271 -0.0512 -0.0028 760 LEU A CG \n470 C CD1 . LEU A 68 ? 0.6034 0.5646 0.6229 -0.0298 -0.0585 -0.0019 760 LEU A CD1 \n471 C CD2 . LEU A 68 ? 0.4923 0.4723 0.5345 -0.0217 -0.0522 -0.0027 760 LEU A CD2 \n472 N N . ASP A 69 ? 0.4570 0.4554 0.5030 -0.0260 -0.0349 -0.0062 761 ASP A N \n473 C CA . ASP A 69 ? 0.4783 0.4811 0.5297 -0.0247 -0.0330 -0.0071 761 ASP A CA \n474 C C . ASP A 69 ? 0.5570 0.5711 0.6197 -0.0215 -0.0281 -0.0077 761 ASP A C \n475 O O . ASP A 69 ? 0.4906 0.5092 0.5622 -0.0190 -0.0286 -0.0076 761 ASP A O \n476 C CB . ASP A 69 ? 0.5471 0.5453 0.5877 -0.0281 -0.0306 -0.0082 761 ASP A CB \n477 C CG . ASP A 69 ? 0.7236 0.7246 0.7681 -0.0267 -0.0292 -0.0093 761 ASP A CG \n478 O OD1 . ASP A 69 ? 0.6087 0.6131 0.6515 -0.0272 -0.0237 -0.0108 761 ASP A OD1 \n479 O OD2 . ASP A 69 ? 0.5894 0.5891 0.6389 -0.0252 -0.0337 -0.0086 761 ASP A OD2 \n480 N N . GLU A 70 ? 0.4300 0.4482 0.4922 -0.0220 -0.0237 -0.0081 762 GLU A N \n481 C CA . GLU A 70 ? 0.4078 0.4352 0.4794 -0.0193 -0.0196 -0.0085 762 GLU A CA \n482 C C . GLU A 70 ? 0.3738 0.4039 0.4536 -0.0159 -0.0216 -0.0075 762 GLU A C \n483 O O . GLU A 70 ? 0.4230 0.4594 0.5119 -0.0131 -0.0200 -0.0076 762 GLU A O \n484 C CB . GLU A 70 ? 0.4732 0.5038 0.5419 -0.0211 -0.0150 -0.0091 762 GLU A CB \n485 C CG . GLU A 70 ? 0.5558 0.5852 0.6178 -0.0240 -0.0120 -0.0103 762 GLU A CG \n486 C CD . GLU A 70 ? 0.8193 0.8552 0.8829 -0.0248 -0.0066 -0.0112 762 GLU A CD \n487 O OE1 . GLU A 70 ? 0.7418 0.7770 0.7997 -0.0273 -0.0036 -0.0123 762 GLU A OE1 \n488 O OE2 . GLU A 70 ? 0.7233 0.7650 0.7939 -0.0229 -0.0053 -0.0109 762 GLU A OE2 \n489 N N . ALA A 71 ? 0.3592 0.3840 0.4355 -0.0161 -0.0252 -0.0067 763 ALA A N \n490 C CA . ALA A 71 ? 0.3449 0.3718 0.4286 -0.0124 -0.0268 -0.0060 763 ALA A CA \n491 C C . ALA A 71 ? 0.3643 0.3934 0.4565 -0.0100 -0.0294 -0.0056 763 ALA A C \n492 O O . ALA A 71 ? 0.3616 0.3962 0.4631 -0.0066 -0.0284 -0.0054 763 ALA A O \n493 C CB . ALA A 71 ? 0.3676 0.3874 0.4452 -0.0128 -0.0307 -0.0054 763 ALA A CB \n494 N N . TYR A 72 ? 0.3293 0.3539 0.4182 -0.0120 -0.0327 -0.0055 764 TYR A N \n495 C CA . TYR A 72 ? 0.3366 0.3628 0.4338 -0.0102 -0.0361 -0.0047 764 TYR A CA \n496 C C . TYR A 72 ? 0.3166 0.3516 0.4230 -0.0085 -0.0319 -0.0050 764 TYR A C \n497 O O . TYR A 72 ? 0.3194 0.3593 0.4360 -0.0060 -0.0326 -0.0042 764 TYR A O \n498 C CB . TYR A 72 ? 0.3550 0.3738 0.4455 -0.0131 -0.0405 -0.0045 764 TYR A CB \n499 C CG . TYR A 72 ? 0.3434 0.3637 0.4428 -0.0118 -0.0448 -0.0035 764 TYR A CG \n500 C CD1 . TYR A 72 ? 0.3371 0.3606 0.4401 -0.0123 -0.0435 -0.0036 764 TYR A CD1 \n501 C CD2 . TYR A 72 ? 0.3529 0.3714 0.4575 -0.0101 -0.0503 -0.0024 764 TYR A CD2 \n502 C CE1 . TYR A 72 ? 0.4169 0.4418 0.5284 -0.0116 -0.0477 -0.0024 764 TYR A CE1 \n503 C CE2 . TYR A 72 ? 0.3858 0.4066 0.5001 -0.0091 -0.0544 -0.0012 764 TYR A CE2 \n504 C CZ . TYR A 72 ? 0.3495 0.3736 0.4671 -0.0101 -0.0531 -0.0011 764 TYR A CZ \n505 O OH . TYR A 72 ? 0.4096 0.4360 0.5370 -0.0097 -0.0575 0.0002 764 TYR A OH \n506 N N . VAL A 73 ? 0.3378 0.3749 0.4407 -0.0098 -0.0275 -0.0060 765 VAL A N \n507 C CA . VAL A 73 ? 0.3283 0.3725 0.4388 -0.0084 -0.0240 -0.0062 765 VAL A CA \n508 C C . VAL A 73 ? 0.3048 0.3548 0.4224 -0.0055 -0.0212 -0.0059 765 VAL A C \n509 O O . VAL A 73 ? 0.2999 0.3554 0.4260 -0.0037 -0.0199 -0.0053 765 VAL A O \n510 C CB . VAL A 73 ? 0.3849 0.4298 0.4902 -0.0100 -0.0200 -0.0076 765 VAL A CB \n511 C CG1 . VAL A 73 ? 0.4236 0.4747 0.5362 -0.0084 -0.0173 -0.0078 765 VAL A CG1 \n512 C CG2 . VAL A 73 ? 0.4496 0.4878 0.5462 -0.0127 -0.0221 -0.0083 765 VAL A CG2 \n513 N N . MET A 74 ? 0.2829 0.3312 0.3963 -0.0052 -0.0204 -0.0061 766 MET A N \n514 C CA . MET A 74 ? 0.2877 0.3399 0.4058 -0.0024 -0.0179 -0.0059 766 MET A CA \n515 C C . MET A 74 ? 0.3467 0.4001 0.4724 0.0004 -0.0202 -0.0051 766 MET A C \n516 O O . MET A 74 ? 0.3738 0.4322 0.5063 0.0031 -0.0176 -0.0048 766 MET A O \n517 C CB . MET A 74 ? 0.3460 0.3948 0.4566 -0.0031 -0.0169 -0.0063 766 MET A CB \n518 C CG . MET A 74 ? 0.4095 0.4587 0.5145 -0.0059 -0.0141 -0.0071 766 MET A CG \n519 S SD . MET A 74 ? 0.4008 0.4444 0.4965 -0.0079 -0.0150 -0.0070 766 MET A SD \n520 C CE . MET A 74 ? 0.3262 0.3728 0.4185 -0.0109 -0.0110 -0.0077 766 MET A CE \n521 N N . ALA A 75 ? 0.2656 0.3147 0.3904 0.0000 -0.0252 -0.0046 767 ALA A N \n522 C CA . ALA A 75 ? 0.2975 0.3484 0.4312 0.0028 -0.0281 -0.0038 767 ALA A CA \n523 C C . ALA A 75 ? 0.3196 0.3760 0.4633 0.0030 -0.0287 -0.0029 767 ALA A C \n524 O O . ALA A 75 ? 0.3746 0.4355 0.5286 0.0056 -0.0296 -0.0021 767 ALA A O \n525 C CB . ALA A 75 ? 0.2950 0.3382 0.4237 0.0022 -0.0341 -0.0035 767 ALA A CB \n526 N N . SER A 76 ? 0.3572 0.4132 0.4980 0.0002 -0.0282 -0.0029 768 SER A N \n527 C CA . SER A 76 ? 0.3946 0.4539 0.5428 -0.0004 -0.0299 -0.0019 768 SER A CA \n528 C C . SER A 76 ? 0.3727 0.4399 0.5288 0.0006 -0.0249 -0.0016 768 SER A C \n529 O O . SER A 76 ? 0.4448 0.5159 0.6088 0.0002 -0.0260 -0.0004 768 SER A O \n530 C CB . SER A 76 ? 0.3198 0.3734 0.4595 -0.0039 -0.0318 -0.0024 768 SER A CB \n531 O OG . SER A 76 ? 0.4849 0.5409 0.6219 -0.0045 -0.0270 -0.0033 768 SER A OG \n532 N N . VAL A 77 ? 0.3042 0.3734 0.4578 0.0018 -0.0200 -0.0024 769 VAL A N \n533 C CA . VAL A 77 ? 0.3247 0.3998 0.4835 0.0024 -0.0155 -0.0021 769 VAL A CA \n534 C C . VAL A 77 ? 0.3687 0.4501 0.5386 0.0048 -0.0140 -0.0009 769 VAL A C \n535 O O . VAL A 77 ? 0.4329 0.5147 0.6052 0.0074 -0.0141 -0.0011 769 VAL A O \n536 C CB . VAL A 77 ? 0.3814 0.4560 0.5338 0.0027 -0.0111 -0.0032 769 VAL A CB \n537 C CG1 . VAL A 77 ? 0.3608 0.4310 0.5044 0.0002 -0.0118 -0.0043 769 VAL A CG1 \n538 C CG2 . VAL A 77 ? 0.4688 0.5418 0.6187 0.0050 -0.0101 -0.0037 769 VAL A CG2 \n539 N N . ASP A 78 ? 0.3175 0.4037 0.4942 0.0039 -0.0127 0.0001 770 ASP A N \n540 C CA . ASP A 78 ? 0.4067 0.4999 0.5951 0.0056 -0.0111 0.0015 770 ASP A CA \n541 C C . ASP A 78 ? 0.3131 0.4103 0.5035 0.0047 -0.0064 0.0021 770 ASP A C \n542 O O . ASP A 78 ? 0.3297 0.4285 0.5234 0.0022 -0.0076 0.0033 770 ASP A O \n543 C CB . ASP A 78 ? 0.3660 0.4609 0.5627 0.0044 -0.0164 0.0030 770 ASP A CB \n544 C CG . ASP A 78 ? 0.4215 0.5249 0.6323 0.0062 -0.0148 0.0045 770 ASP A CG \n545 O OD1 . ASP A 78 ? 0.4180 0.5248 0.6312 0.0093 -0.0102 0.0039 770 ASP A OD1 \n546 O OD2 . ASP A 78 ? 0.6700 0.7767 0.8894 0.0044 -0.0181 0.0062 770 ASP A OD2 \n547 N N . ASN A 79 ? 0.2585 0.3563 0.4459 0.0066 -0.0014 0.0013 771 ASN A N \n548 C CA . ASN A 79 ? 0.2689 0.3689 0.4561 0.0058 0.0031 0.0018 771 ASN A CA \n549 C C . ASN A 79 ? 0.2652 0.3663 0.4515 0.0088 0.0081 0.0013 771 ASN A C \n550 O O . ASN A 79 ? 0.3167 0.4140 0.4974 0.0109 0.0079 0.0000 771 ASN A O \n551 C CB . ASN A 79 ? 0.3097 0.4047 0.4873 0.0038 0.0027 0.0009 771 ASN A CB \n552 C CG . ASN A 79 ? 0.3228 0.4187 0.4991 0.0029 0.0065 0.0014 771 ASN A CG \n553 O OD1 . ASN A 79 ? 0.3208 0.4155 0.4928 0.0043 0.0101 0.0008 771 ASN A OD1 \n554 N ND2 . ASN A 79 ? 0.3130 0.4101 0.4923 0.0003 0.0054 0.0027 771 ASN A ND2 \n555 N N . PRO A 80 ? 0.3693 0.4748 0.5601 0.0089 0.0128 0.0023 772 PRO A N \n556 C CA . PRO A 80 ? 0.3736 0.4796 0.5632 0.0119 0.0180 0.0018 772 PRO A CA \n557 C C . PRO A 80 ? 0.3282 0.4272 0.5054 0.0126 0.0194 0.0003 772 PRO A C \n558 O O . PRO A 80 ? 0.2973 0.3944 0.4712 0.0155 0.0223 -0.0005 772 PRO A O \n559 C CB . PRO A 80 ? 0.4673 0.5783 0.6622 0.0105 0.0226 0.0034 772 PRO A CB \n560 C CG . PRO A 80 ? 0.5154 0.6308 0.7190 0.0075 0.0190 0.0051 772 PRO A CG \n561 C CD . PRO A 80 ? 0.3635 0.4734 0.5611 0.0060 0.0132 0.0043 772 PRO A CD \n562 N N . HIS A 81 ? 0.3168 0.4120 0.4874 0.0100 0.0173 0.0000 773 HIS A N \n563 C CA . HIS A 81 ? 0.3260 0.4151 0.4860 0.0103 0.0182 -0.0011 773 HIS A CA \n564 C C . HIS A 81 ? 0.2991 0.3839 0.4534 0.0100 0.0142 -0.0023 773 HIS A C \n565 O O . HIS A 81 ? 0.3228 0.4035 0.4695 0.0093 0.0140 -0.0031 773 HIS A O \n566 C CB . HIS A 81 ? 0.2993 0.3870 0.4558 0.0080 0.0198 -0.0005 773 HIS A CB \n567 C CG . HIS A 81 ? 0.4032 0.4948 0.5647 0.0075 0.0238 0.0010 773 HIS A CG \n568 N ND1 . HIS A 81 ? 0.3713 0.4632 0.5321 0.0096 0.0287 0.0010 773 HIS A ND1 \n569 C CD2 . HIS A 81 ? 0.4626 0.5579 0.6300 0.0050 0.0236 0.0025 773 HIS A CD2 \n570 C CE1 . HIS A 81 ? 0.3658 0.4619 0.5319 0.0082 0.0319 0.0026 773 HIS A CE1 \n571 N NE2 . HIS A 81 ? 0.3285 0.4267 0.4988 0.0053 0.0287 0.0037 773 HIS A NE2 \n572 N N . VAL A 82 ? 0.3293 0.4152 0.4873 0.0103 0.0110 -0.0024 774 VAL A N \n573 C CA . VAL A 82 ? 0.3244 0.4062 0.4768 0.0097 0.0074 -0.0034 774 VAL A CA \n574 C C . VAL A 82 ? 0.3232 0.4040 0.4771 0.0121 0.0058 -0.0037 774 VAL A C \n575 O O . VAL A 82 ? 0.3463 0.4307 0.5081 0.0131 0.0048 -0.0030 774 VAL A O \n576 C CB . VAL A 82 ? 0.4008 0.4826 0.5538 0.0070 0.0039 -0.0034 774 VAL A CB \n577 C CG1 . VAL A 82 ? 0.2900 0.3672 0.4357 0.0060 0.0013 -0.0044 774 VAL A CG1 \n578 C CG2 . VAL A 82 ? 0.3588 0.4417 0.5116 0.0051 0.0050 -0.0031 774 VAL A CG2 \n579 N N . CYS A 83 ? 0.3192 0.3949 0.4656 0.0130 0.0053 -0.0047 775 CYS A N \n580 C CA . CYS A 83 ? 0.3447 0.4175 0.4903 0.0149 0.0027 -0.0051 775 CYS A CA \n581 C C . CYS A 83 ? 0.3218 0.3934 0.4678 0.0129 -0.0021 -0.0049 775 CYS A C \n582 O O . CYS A 83 ? 0.3820 0.4530 0.5251 0.0098 -0.0033 -0.0049 775 CYS A O \n583 C CB . CYS A 83 ? 0.3039 0.3703 0.4397 0.0154 0.0027 -0.0059 775 CYS A CB \n584 S SG . CYS A 83 ? 0.3937 0.4590 0.5269 0.0183 0.0077 -0.0063 775 CYS A SG \n585 N N . ARG A 84 ? 0.2800 0.3504 0.4288 0.0146 -0.0051 -0.0049 776 ARG A N \n586 C CA . ARG A 84 ? 0.2602 0.3277 0.4076 0.0125 -0.0103 -0.0047 776 ARG A CA \n587 C C . ARG A 84 ? 0.2505 0.3112 0.3915 0.0133 -0.0138 -0.0052 776 ARG A C \n588 O O . ARG A 84 ? 0.2948 0.3540 0.4357 0.0166 -0.0130 -0.0056 776 ARG A O \n589 C CB . ARG A 84 ? 0.3903 0.4623 0.5478 0.0127 -0.0125 -0.0036 776 ARG A CB \n590 C CG . ARG A 84 ? 0.4227 0.4956 0.5870 0.0161 -0.0147 -0.0035 776 ARG A CG \n591 C CD . ARG A 84 ? 0.6046 0.6802 0.7774 0.0151 -0.0191 -0.0023 776 ARG A CD \n592 N NE . ARG A 84 ? 0.5696 0.6437 0.7469 0.0181 -0.0231 -0.0023 776 ARG A NE \n593 C CZ . ARG A 84 ? 0.6357 0.7027 0.8077 0.0171 -0.0293 -0.0024 776 ARG A CZ \n594 N NH1 . ARG A 84 ? 0.5065 0.5672 0.6682 0.0130 -0.0318 -0.0024 776 ARG A NH1 \n595 N NH2 . ARG A 84 ? 0.7123 0.7782 0.8893 0.0203 -0.0332 -0.0025 776 ARG A NH2 \n596 N N . LEU A 85 ? 0.3523 0.4081 0.4866 0.0102 -0.0174 -0.0052 777 LEU A N \n597 C CA . LEU A 85 ? 0.4424 0.4906 0.5692 0.0099 -0.0214 -0.0054 777 LEU A CA \n598 C C . LEU A 85 ? 0.4605 0.5081 0.5937 0.0124 -0.0258 -0.0050 777 LEU A C \n599 O O . LEU A 85 ? 0.3983 0.4489 0.5381 0.0117 -0.0278 -0.0043 777 LEU A O \n600 C CB . LEU A 85 ? 0.4243 0.4679 0.5421 0.0053 -0.0233 -0.0054 777 LEU A CB \n601 C CG . LEU A 85 ? 0.4833 0.5186 0.5902 0.0034 -0.0260 -0.0055 777 LEU A CG \n602 C CD1 . LEU A 85 ? 0.4002 0.4347 0.5036 0.0047 -0.0231 -0.0059 777 LEU A CD1 \n603 C CD2 . LEU A 85 ? 0.4528 0.4854 0.5520 -0.0013 -0.0263 -0.0055 777 LEU A CD2 \n604 N N . LEU A 86 ? 0.3919 0.4355 0.5237 0.0155 -0.0275 -0.0055 778 LEU A N \n605 C CA . LEU A 86 ? 0.4094 0.4519 0.5474 0.0184 -0.0323 -0.0053 778 LEU A CA \n606 C C . LEU A 86 ? 0.4495 0.4823 0.5785 0.0159 -0.0390 -0.0050 778 LEU A C \n607 O O . LEU A 86 ? 0.5158 0.5470 0.6488 0.0162 -0.0444 -0.0044 778 LEU A O \n608 C CB . LEU A 86 ? 0.3567 0.3996 0.4982 0.0238 -0.0307 -0.0062 778 LEU A CB \n609 C CG . LEU A 86 ? 0.4776 0.5295 0.6286 0.0272 -0.0242 -0.0065 778 LEU A CG \n610 C CD1 . LEU A 86 ? 0.4629 0.5123 0.6132 0.0324 -0.0227 -0.0078 778 LEU A CD1 \n611 C CD2 . LEU A 86 ? 0.6299 0.6907 0.7954 0.0281 -0.0243 -0.0056 778 LEU A CD2 \n612 N N . GLY A 87 ? 0.4424 0.4684 0.5588 0.0131 -0.0390 -0.0053 779 GLY A N \n613 C CA . GLY A 87 ? 0.4418 0.4575 0.5480 0.0106 -0.0450 -0.0050 779 GLY A CA \n614 C C . GLY A 87 ? 0.4039 0.4142 0.4970 0.0060 -0.0437 -0.0049 779 GLY A C \n615 O O . GLY A 87 ? 0.4021 0.4163 0.4942 0.0052 -0.0384 -0.0052 779 GLY A O \n616 N N . ILE A 88 ? 0.4339 0.4348 0.5170 0.0027 -0.0487 -0.0044 780 ILE A N \n617 C CA . ILE A 88 ? 0.3940 0.3896 0.4647 -0.0022 -0.0478 -0.0041 780 ILE A CA \n618 C C . ILE A 88 ? 0.4611 0.4446 0.5213 -0.0038 -0.0544 -0.0035 780 ILE A C \n619 O O . ILE A 88 ? 0.4409 0.4199 0.5025 -0.0023 -0.0601 -0.0033 780 ILE A O \n620 C CB . ILE A 88 ? 0.4429 0.4416 0.5115 -0.0068 -0.0451 -0.0039 780 ILE A CB \n621 C CG1 . ILE A 88 ? 0.4507 0.4467 0.5088 -0.0118 -0.0426 -0.0037 780 ILE A CG1 \n622 C CG2 . ILE A 88 ? 0.4840 0.4783 0.5513 -0.0084 -0.0499 -0.0034 780 ILE A CG2 \n623 C CD1 . ILE A 88 ? 0.5010 0.5021 0.5590 -0.0151 -0.0383 -0.0039 780 ILE A CD1 \n624 N N . CYS A 89 ? 0.4241 0.4021 0.4739 -0.0069 -0.0539 -0.0032 781 CYS A N \n625 C CA . CYS A 89 ? 0.5001 0.4657 0.5380 -0.0093 -0.0600 -0.0024 781 CYS A CA \n626 C C . CYS A 89 ? 0.5421 0.5047 0.5688 -0.0162 -0.0579 -0.0016 781 CYS A C \n627 O O . CYS A 89 ? 0.5386 0.5047 0.5643 -0.0174 -0.0536 -0.0016 781 CYS A O \n628 C CB . CYS A 89 ? 0.5332 0.4940 0.5704 -0.0050 -0.0626 -0.0029 781 CYS A CB \n629 S SG . CYS A 89 ? 0.6760 0.6198 0.6973 -0.0079 -0.0708 -0.0019 781 CYS A SG \n630 N N . LEU A 90 ? 0.5191 0.4755 0.5376 -0.0208 -0.0607 -0.0008 782 LEU A N \n631 C CA . LEU A 90 ? 0.6776 0.6306 0.6849 -0.0277 -0.0585 0.0000 782 LEU A CA \n632 C C . LEU A 90 ? 0.7556 0.6950 0.7494 -0.0309 -0.0645 0.0012 782 LEU A C \n633 O O . LEU A 90 ? 0.7032 0.6334 0.6929 -0.0299 -0.0713 0.0015 782 LEU A O \n634 C CB . LEU A 90 ? 0.6064 0.5606 0.6114 -0.0313 -0.0568 0.0000 782 LEU A CB \n635 C CG . LEU A 90 ? 0.6390 0.6052 0.6562 -0.0286 -0.0516 -0.0011 782 LEU A CG \n636 C CD1 . LEU A 90 ? 0.7460 0.7101 0.7589 -0.0317 -0.0516 -0.0012 782 LEU A CD1 \n637 C CD2 . LEU A 90 ? 0.5959 0.5721 0.6179 -0.0289 -0.0445 -0.0016 782 LEU A CD2 \n638 N N . THR A 91 ? 0.7468 0.6851 0.7344 -0.0344 -0.0624 0.0019 783 THR A N \n639 C CA . THR A 91 ? 0.7666 0.6920 0.7401 -0.0387 -0.0675 0.0034 783 THR A CA \n640 C C . THR A 91 ? 0.7453 0.6729 0.7121 -0.0461 -0.0626 0.0046 783 THR A C \n641 O O . THR A 91 ? 0.8968 0.8296 0.8639 -0.0493 -0.0582 0.0044 783 THR A O \n642 C CB . THR A 91 ? 0.7592 0.6801 0.7327 -0.0347 -0.0709 0.0033 783 THR A CB \n643 O OG1 . THR A 91 ? 0.8318 0.7621 0.8118 -0.0336 -0.0651 0.0029 783 THR A OG1 \n644 C CG2 . THR A 91 ? 0.7956 0.7151 0.7768 -0.0269 -0.0752 0.0020 783 THR A CG2 \n645 N N . SER A 92 ? 0.8181 0.7420 0.7791 -0.0488 -0.0633 0.0057 784 SER A N \n646 C CA . SER A 92 ? 0.8307 0.7600 0.7893 -0.0549 -0.0580 0.0068 784 SER A CA \n647 C C . SER A 92 ? 0.8727 0.8166 0.8451 -0.0515 -0.0513 0.0055 784 SER A C \n648 O O . SER A 92 ? 0.9563 0.9082 0.9308 -0.0555 -0.0458 0.0059 784 SER A O \n649 C CB . SER A 92 ? 0.8791 0.7990 0.8272 -0.0591 -0.0618 0.0086 784 SER A CB \n650 O OG . SER A 92 ? 1.0234 0.9409 0.9749 -0.0533 -0.0650 0.0080 784 SER A OG \n651 N N . THR A 93 ? 0.7430 0.6904 0.7247 -0.0441 -0.0520 0.0041 785 THR A N \n652 C CA . THR A 93 ? 0.6585 0.6185 0.6529 -0.0403 -0.0463 0.0028 785 THR A CA \n653 C C . THR A 93 ? 0.6217 0.5874 0.6258 -0.0348 -0.0452 0.0012 785 THR A C \n654 O O . THR A 93 ? 0.6195 0.5790 0.6218 -0.0328 -0.0497 0.0010 785 THR A O \n655 C CB . THR A 93 ? 0.6707 0.6299 0.6675 -0.0363 -0.0474 0.0026 785 THR A CB \n656 O OG1 . THR A 93 ? 0.6428 0.5963 0.6407 -0.0302 -0.0518 0.0017 785 THR A OG1 \n657 C CG2 . THR A 93 ? 0.7795 0.7315 0.7663 -0.0414 -0.0498 0.0044 785 THR A CG2 \n658 N N . VAL A 94 ? 0.5854 0.5625 0.5998 -0.0327 -0.0397 0.0002 786 VAL A N \n659 C CA . VAL A 94 ? 0.4870 0.4702 0.5118 -0.0273 -0.0385 -0.0010 786 VAL A CA \n660 C C . VAL A 94 ? 0.4544 0.4397 0.4859 -0.0213 -0.0385 -0.0017 786 VAL A C \n661 O O . VAL A 94 ? 0.4946 0.4834 0.5278 -0.0211 -0.0357 -0.0017 786 VAL A O \n662 C CB . VAL A 94 ? 0.4730 0.4664 0.5045 -0.0281 -0.0327 -0.0018 786 VAL A CB \n663 C CG1 . VAL A 94 ? 0.6057 0.6046 0.6474 -0.0231 -0.0321 -0.0029 786 VAL A CG1 \n664 C CG2 . VAL A 94 ? 0.6032 0.5943 0.6272 -0.0338 -0.0320 -0.0014 786 VAL A CG2 \n665 N N . GLN A 95 ? 0.4584 0.4416 0.4940 -0.0164 -0.0415 -0.0023 787 GLN A N \n666 C CA . GLN A 95 ? 0.4419 0.4279 0.4847 -0.0103 -0.0406 -0.0032 787 GLN A CA \n667 C C . GLN A 95 ? 0.4876 0.4817 0.5422 -0.0061 -0.0385 -0.0041 787 GLN A C \n668 O O . GLN A 95 ? 0.4376 0.4302 0.4943 -0.0055 -0.0416 -0.0041 787 GLN A O \n669 C CB . GLN A 95 ? 0.4872 0.4634 0.5248 -0.0074 -0.0459 -0.0033 787 GLN A CB \n670 C CG . GLN A 95 ? 0.4922 0.4603 0.5186 -0.0106 -0.0478 -0.0024 787 GLN A CG \n671 C CD . GLN A 95 ? 0.5414 0.4986 0.5618 -0.0074 -0.0535 -0.0026 787 GLN A CD \n672 O OE1 . GLN A 95 ? 0.5364 0.4926 0.5583 -0.0028 -0.0529 -0.0035 787 GLN A OE1 \n673 N NE2 . GLN A 95 ? 0.5690 0.5172 0.5821 -0.0096 -0.0592 -0.0019 787 GLN A NE2 \n674 N N . LEU A 96 ? 0.4084 0.4104 0.4705 -0.0035 -0.0337 -0.0047 788 LEU A N \n675 C CA . LEU A 96 ? 0.4189 0.4292 0.4925 0.0000 -0.0311 -0.0053 788 LEU A CA \n676 C C . LEU A 96 ? 0.3588 0.3698 0.4380 0.0059 -0.0307 -0.0060 788 LEU A C \n677 O O . LEU A 96 ? 0.3879 0.3967 0.4640 0.0075 -0.0293 -0.0064 788 LEU A O \n678 C CB . LEU A 96 ? 0.3852 0.4036 0.4629 -0.0015 -0.0258 -0.0055 788 LEU A CB \n679 C CG . LEU A 96 ? 0.4145 0.4337 0.4876 -0.0069 -0.0248 -0.0052 788 LEU A CG \n680 C CD1 . LEU A 96 ? 0.4062 0.4335 0.4846 -0.0071 -0.0198 -0.0056 788 LEU A CD1 \n681 C CD2 . LEU A 96 ? 0.4478 0.4656 0.5206 -0.0085 -0.0273 -0.0050 788 LEU A CD2 \n682 N N . ILE A 97 ? 0.3539 0.3682 0.4418 0.0092 -0.0318 -0.0063 789 ILE A N \n683 C CA . ILE A 97 ? 0.3293 0.3447 0.4232 0.0151 -0.0311 -0.0071 789 ILE A CA \n684 C C . ILE A 97 ? 0.2834 0.3092 0.3895 0.0174 -0.0266 -0.0072 789 ILE A C \n685 O O . ILE A 97 ? 0.3709 0.4010 0.4826 0.0158 -0.0273 -0.0067 789 ILE A O \n686 C CB . ILE A 97 ? 0.3966 0.4059 0.4906 0.0178 -0.0371 -0.0072 789 ILE A CB \n687 C CG1 . ILE A 97 ? 0.4513 0.4488 0.5317 0.0155 -0.0416 -0.0070 789 ILE A CG1 \n688 C CG2 . ILE A 97 ? 0.4095 0.4218 0.5122 0.0246 -0.0357 -0.0083 789 ILE A CG2 \n689 C CD1 . ILE A 97 ? 0.4681 0.4609 0.5414 0.0096 -0.0455 -0.0059 789 ILE A CD1 \n690 N N . THR A 98 ? 0.2715 0.3003 0.3804 0.0209 -0.0222 -0.0079 790 THR A N \n691 C CA . THR A 98 ? 0.2916 0.3298 0.4109 0.0227 -0.0173 -0.0078 790 THR A CA \n692 C C . THR A 98 ? 0.3129 0.3524 0.4365 0.0283 -0.0142 -0.0088 790 THR A C \n693 O O . THR A 98 ? 0.3240 0.3564 0.4406 0.0308 -0.0151 -0.0096 790 THR A O \n694 C CB . THR A 98 ? 0.3272 0.3689 0.4444 0.0193 -0.0132 -0.0075 790 THR A CB \n695 O OG1 . THR A 98 ? 0.3717 0.4218 0.4986 0.0202 -0.0094 -0.0072 790 THR A OG1 \n696 C CG2 . THR A 98 ? 0.3465 0.3837 0.4556 0.0200 -0.0109 -0.0080 790 THR A CG2 \n697 N N . GLN A 99 ? 0.3274 0.3756 0.4620 0.0304 -0.0104 -0.0086 791 GLN A N \n698 C CA . GLN A 99 ? 0.3985 0.4489 0.5376 0.0357 -0.0063 -0.0096 791 GLN A CA \n699 C C . GLN A 99 ? 0.3728 0.4180 0.5017 0.0361 -0.0026 -0.0103 791 GLN A C \n700 O O . GLN A 99 ? 0.3690 0.4150 0.4939 0.0325 -0.0004 -0.0097 791 GLN A O \n701 C CB . GLN A 99 ? 0.3732 0.4343 0.5255 0.0367 -0.0021 -0.0089 791 GLN A CB \n702 C CG . GLN A 99 ? 0.4730 0.5375 0.6303 0.0419 0.0035 -0.0099 791 GLN A CG \n703 C CD . GLN A 99 ? 0.6244 0.7001 0.7950 0.0420 0.0079 -0.0089 791 GLN A CD \n704 O OE1 . GLN A 99 ? 0.5789 0.6593 0.7541 0.0380 0.0067 -0.0075 791 GLN A OE1 \n705 N NE2 . GLN A 99 ? 0.6961 0.7758 0.8724 0.0466 0.0132 -0.0097 791 GLN A NE2 \n706 N N . LEU A 100 ? 0.3403 0.3796 0.4645 0.0404 -0.0023 -0.0116 792 LEU A N \n707 C CA . LEU A 100 ? 0.3815 0.4147 0.4952 0.0410 0.0007 -0.0123 792 LEU A CA \n708 C C . LEU A 100 ? 0.4952 0.5346 0.6133 0.0422 0.0078 -0.0122 792 LEU A C \n709 O O . LEU A 100 ? 0.3776 0.4238 0.5059 0.0456 0.0112 -0.0126 792 LEU A O \n710 C CB . LEU A 100 ? 0.3286 0.3526 0.4351 0.0457 -0.0007 -0.0138 792 LEU A CB \n711 C CG . LEU A 100 ? 0.3904 0.4062 0.4846 0.0465 0.0017 -0.0145 792 LEU A CG \n712 C CD1 . LEU A 100 ? 0.3710 0.3815 0.4552 0.0404 -0.0016 -0.0133 792 LEU A CD1 \n713 C CD2 . LEU A 100 ? 0.3924 0.3992 0.4802 0.0522 0.0008 -0.0164 792 LEU A CD2 \n714 N N . MET A 101 ? 0.3887 0.4258 0.4994 0.0390 0.0098 -0.0118 793 MET A N \n715 C CA . MET A 101 ? 0.4374 0.4782 0.5495 0.0396 0.0161 -0.0117 793 MET A CA \n716 C C . MET A 101 ? 0.4038 0.4348 0.5036 0.0420 0.0180 -0.0128 793 MET A C \n717 O O . MET A 101 ? 0.3648 0.3892 0.4544 0.0390 0.0162 -0.0124 793 MET A O \n718 C CB . MET A 101 ? 0.3443 0.3889 0.4569 0.0344 0.0166 -0.0103 793 MET A CB \n719 C CG . MET A 101 ? 0.5458 0.5983 0.6684 0.0316 0.0145 -0.0092 793 MET A CG \n720 S SD . MET A 101 ? 0.6483 0.7117 0.7850 0.0333 0.0192 -0.0086 793 MET A SD \n721 C CE . MET A 101 ? 0.5493 0.6154 0.6950 0.0360 0.0150 -0.0089 793 MET A CE \n722 N N . PRO A 102 ? 0.4067 0.4365 0.5073 0.0476 0.0216 -0.0142 794 PRO A N \n723 C CA . PRO A 102 ? 0.3543 0.3727 0.4416 0.0503 0.0223 -0.0156 794 PRO A CA \n724 C C . PRO A 102 ? 0.3264 0.3414 0.4058 0.0494 0.0273 -0.0154 794 PRO A C \n725 O O . PRO A 102 ? 0.4113 0.4156 0.4780 0.0509 0.0272 -0.0163 794 PRO A O \n726 C CB . PRO A 102 ? 0.5040 0.5228 0.5959 0.0572 0.0246 -0.0174 794 PRO A CB \n727 C CG . PRO A 102 ? 0.5059 0.5383 0.6140 0.0577 0.0286 -0.0168 794 PRO A CG \n728 C CD . PRO A 102 ? 0.5088 0.5471 0.6225 0.0518 0.0246 -0.0148 794 PRO A CD \n729 N N . PHE A 103 ? 0.3433 0.3664 0.4292 0.0467 0.0310 -0.0142 795 PHE A N \n730 C CA . PHE A 103 ? 0.3946 0.4129 0.4713 0.0448 0.0343 -0.0138 795 PHE A CA \n731 C C . PHE A 103 ? 0.3683 0.3813 0.4371 0.0396 0.0291 -0.0127 795 PHE A C \n732 O O . PHE A 103 ? 0.4552 0.4619 0.5145 0.0380 0.0302 -0.0123 795 PHE A O \n733 C CB . PHE A 103 ? 0.4566 0.4837 0.5413 0.0439 0.0403 -0.0129 795 PHE A CB \n734 C CG . PHE A 103 ? 0.5572 0.5894 0.6490 0.0489 0.0466 -0.0140 795 PHE A CG \n735 C CD1 . PHE A 103 ? 0.6227 0.6676 0.7299 0.0487 0.0492 -0.0130 795 PHE A CD1 \n736 C CD2 . PHE A 103 ? 0.7015 0.7257 0.7848 0.0540 0.0497 -0.0159 795 PHE A CD2 \n737 C CE1 . PHE A 103 ? 0.8664 0.9173 0.9819 0.0532 0.0551 -0.0139 795 PHE A CE1 \n738 C CE2 . PHE A 103 ? 0.7734 0.8031 0.8642 0.0591 0.0560 -0.0171 795 PHE A CE2 \n739 C CZ . PHE A 103 ? 0.8085 0.8523 0.9161 0.0586 0.0588 -0.0161 795 PHE A CZ \n740 N N . GLY A 104 ? 0.3761 0.3917 0.4489 0.0371 0.0236 -0.0121 796 GLY A N \n741 C CA . GLY A 104 ? 0.4056 0.4165 0.4716 0.0324 0.0185 -0.0111 796 GLY A CA \n742 C C . GLY A 104 ? 0.3938 0.4113 0.4649 0.0280 0.0185 -0.0098 796 GLY A C \n743 O O . GLY A 104 ? 0.3608 0.3869 0.4414 0.0280 0.0215 -0.0094 796 GLY A O \n744 N N . CYS A 105 ? 0.3610 0.3744 0.4261 0.0243 0.0149 -0.0091 797 CYS A N \n745 C CA . CYS A 105 ? 0.3421 0.3614 0.4121 0.0206 0.0147 -0.0081 797 CYS A CA \n746 C C . CYS A 105 ? 0.3611 0.3783 0.4274 0.0204 0.0179 -0.0077 797 CYS A C \n747 O O . CYS A 105 ? 0.3583 0.3670 0.4150 0.0222 0.0196 -0.0081 797 CYS A O \n748 C CB . CYS A 105 ? 0.5173 0.5354 0.5852 0.0167 0.0096 -0.0075 797 CYS A CB \n749 S SG . CYS A 105 ? 0.7160 0.7223 0.7704 0.0157 0.0067 -0.0072 797 CYS A SG \n750 N N . LEU A 106 ? 0.4149 0.4386 0.4878 0.0182 0.0186 -0.0069 798 LEU A N \n751 C CA . LEU A 106 ? 0.4063 0.4280 0.4759 0.0174 0.0212 -0.0064 798 LEU A CA \n752 C C . LEU A 106 ? 0.3466 0.3595 0.4060 0.0155 0.0179 -0.0061 798 LEU A C \n753 O O . LEU A 106 ? 0.3853 0.3915 0.4369 0.0157 0.0196 -0.0059 798 LEU A O \n754 C CB . LEU A 106 ? 0.3199 0.3500 0.3987 0.0152 0.0218 -0.0056 798 LEU A CB \n755 C CG . LEU A 106 ? 0.3493 0.3778 0.4257 0.0144 0.0248 -0.0049 798 LEU A CG \n756 C CD1 . LEU A 106 ? 0.4080 0.4343 0.4812 0.0171 0.0306 -0.0050 798 LEU A CD1 \n757 C CD2 . LEU A 106 ? 0.3291 0.3657 0.4149 0.0124 0.0248 -0.0041 798 LEU A CD2 \n758 N N . LEU A 107 ? 0.3785 0.3911 0.4379 0.0135 0.0130 -0.0060 799 LEU A N \n759 C CA . LEU A 107 ? 0.3699 0.3747 0.4209 0.0114 0.0092 -0.0055 799 LEU A CA \n760 C C . LEU A 107 ? 0.4027 0.3960 0.4413 0.0135 0.0096 -0.0059 799 LEU A C \n761 O O . LEU A 107 ? 0.3910 0.3759 0.4204 0.0129 0.0090 -0.0055 799 LEU A O \n762 C CB . LEU A 107 ? 0.3957 0.4033 0.4501 0.0087 0.0043 -0.0052 799 LEU A CB \n763 C CG . LEU A 107 ? 0.3809 0.3812 0.4279 0.0063 -0.0002 -0.0044 799 LEU A CG \n764 C CD1 . LEU A 107 ? 0.4512 0.4507 0.4980 0.0050 -0.0009 -0.0039 799 LEU A CD1 \n765 C CD2 . LEU A 107 ? 0.4496 0.4535 0.5005 0.0034 -0.0044 -0.0040 799 LEU A CD2 \n766 N N . ASP A 108 ? 0.4040 0.3961 0.4416 0.0161 0.0105 -0.0067 800 ASP A N \n767 C CA . ASP A 108 ? 0.4402 0.4206 0.4654 0.0186 0.0109 -0.0074 800 ASP A CA \n768 C C . ASP A 108 ? 0.4029 0.3806 0.4241 0.0213 0.0168 -0.0079 800 ASP A C \n769 O O . ASP A 108 ? 0.4211 0.3876 0.4298 0.0222 0.0172 -0.0081 800 ASP A O \n770 C CB . ASP A 108 ? 0.4416 0.4208 0.4667 0.0211 0.0101 -0.0083 800 ASP A CB \n771 C CG . ASP A 108 ? 0.6607 0.6389 0.6853 0.0179 0.0039 -0.0076 800 ASP A CG \n772 O OD1 . ASP A 108 ? 0.7045 0.6852 0.7327 0.0188 0.0027 -0.0080 800 ASP A OD1 \n773 O OD2 . ASP A 108 ? 0.6367 0.6116 0.6575 0.0144 0.0001 -0.0066 800 ASP A OD2 \n774 N N . TYR A 109 ? 0.4114 0.3990 0.4430 0.0223 0.0213 -0.0079 801 TYR A N \n775 C CA . TYR A 109 ? 0.4642 0.4512 0.4939 0.0245 0.0278 -0.0082 801 TYR A CA \n776 C C . TYR A 109 ? 0.4581 0.4390 0.4798 0.0219 0.0280 -0.0073 801 TYR A C \n777 O O . TYR A 109 ? 0.4642 0.4361 0.4749 0.0235 0.0313 -0.0077 801 TYR A O \n778 C CB . TYR A 109 ? 0.3880 0.3878 0.4318 0.0252 0.0317 -0.0081 801 TYR A CB \n779 C CG . TYR A 109 ? 0.5007 0.5013 0.5441 0.0277 0.0390 -0.0084 801 TYR A CG \n780 C CD1 . TYR A 109 ? 0.4992 0.5000 0.5411 0.0253 0.0419 -0.0073 801 TYR A CD1 \n781 C CD2 . TYR A 109 ? 0.4948 0.4961 0.5395 0.0323 0.0432 -0.0098 801 TYR A CD2 \n782 C CE1 . TYR A 109 ? 0.5599 0.5617 0.6014 0.0271 0.0492 -0.0074 801 TYR A CE1 \n783 C CE2 . TYR A 109 ? 0.5858 0.5888 0.6311 0.0346 0.0507 -0.0101 801 TYR A CE2 \n784 C CZ . TYR A 109 ? 0.5949 0.5983 0.6384 0.0317 0.0539 -0.0088 801 TYR A CZ \n785 O OH . TYR A 109 ? 0.6514 0.6569 0.6953 0.0334 0.0617 -0.0089 801 TYR A OH \n786 N N . VAL A 110 ? 0.4315 0.4164 0.4580 0.0182 0.0243 -0.0061 802 VAL A N \n787 C CA . VAL A 110 ? 0.4178 0.3958 0.4365 0.0158 0.0232 -0.0052 802 VAL A CA \n788 C C . VAL A 110 ? 0.4576 0.4216 0.4616 0.0152 0.0191 -0.0051 802 VAL A C \n789 O O . VAL A 110 ? 0.4756 0.4302 0.4688 0.0146 0.0201 -0.0047 802 VAL A O \n790 C CB . VAL A 110 ? 0.4476 0.4329 0.4752 0.0124 0.0200 -0.0041 802 VAL A CB \n791 C CG1 . VAL A 110 ? 0.3984 0.3953 0.4382 0.0128 0.0240 -0.0040 802 VAL A CG1 \n792 C CG2 . VAL A 110 ? 0.3762 0.3643 0.4084 0.0106 0.0137 -0.0041 802 VAL A CG2 \n793 N N . ARG A 111 ? 0.4573 0.4196 0.4608 0.0149 0.0143 -0.0053 803 ARG A N \n794 C CA . ARG A 111 ? 0.4527 0.4016 0.4426 0.0142 0.0098 -0.0052 803 ARG A CA \n795 C C . ARG A 111 ? 0.4703 0.4081 0.4470 0.0178 0.0141 -0.0063 803 ARG A C \n796 O O . ARG A 111 ? 0.5044 0.4293 0.4670 0.0173 0.0130 -0.0061 803 ARG A O \n797 C CB . ARG A 111 ? 0.4974 0.4480 0.4906 0.0130 0.0043 -0.0051 803 ARG A CB \n798 C CG . ARG A 111 ? 0.5260 0.4836 0.5281 0.0091 -0.0007 -0.0039 803 ARG A CG \n799 C CD . ARG A 111 ? 0.4890 0.4510 0.4965 0.0077 -0.0045 -0.0038 803 ARG A CD \n800 N NE . ARG A 111 ? 0.4054 0.3742 0.4213 0.0040 -0.0089 -0.0028 803 ARG A NE \n801 C CZ . ARG A 111 ? 0.5389 0.5119 0.5596 0.0018 -0.0124 -0.0023 803 ARG A CZ \n802 N NH1 . ARG A 111 ? 0.5208 0.4913 0.5384 0.0027 -0.0127 -0.0027 803 ARG A NH1 \n803 N NH2 . ARG A 111 ? 0.4661 0.4458 0.4949 -0.0013 -0.0157 -0.0015 803 ARG A NH2 \n804 N N . GLU A 112 ? 0.5156 0.4585 0.4970 0.0215 0.0190 -0.0076 804 GLU A N \n805 C CA . GLU A 112 ? 0.5553 0.4889 0.5255 0.0258 0.0237 -0.0091 804 GLU A CA \n806 C C . GLU A 112 ? 0.6571 0.5881 0.6220 0.0267 0.0306 -0.0092 804 GLU A C \n807 O O . GLU A 112 ? 0.5822 0.5000 0.5318 0.0284 0.0329 -0.0099 804 GLU A O \n808 C CB . GLU A 112 ? 0.5509 0.4913 0.5291 0.0298 0.0263 -0.0106 804 GLU A CB \n809 C CG . GLU A 112 ? 0.7811 0.7131 0.7497 0.0351 0.0315 -0.0125 804 GLU A CG \n810 C CD . GLU A 112 ? 1.0209 0.9387 0.9757 0.0363 0.0266 -0.0133 804 GLU A CD \n811 O OE1 . GLU A 112 ? 1.0297 0.9415 0.9790 0.0324 0.0194 -0.0120 804 GLU A OE1 \n812 O OE2 . GLU A 112 ? 1.2961 1.2086 1.2455 0.0413 0.0297 -0.0153 804 GLU A OE2 \n813 N N . HIS A 113 ? 0.5199 0.4626 0.4966 0.0254 0.0340 -0.0085 805 HIS A N \n814 C CA . HIS A 113 ? 0.5767 0.5193 0.5508 0.0261 0.0414 -0.0084 805 HIS A CA \n815 C C . HIS A 113 ? 0.5795 0.5185 0.5490 0.0218 0.0399 -0.0067 805 HIS A C \n816 O O . HIS A 113 ? 0.6858 0.6267 0.6553 0.0213 0.0457 -0.0062 805 HIS A O \n817 C CB . HIS A 113 ? 0.5816 0.5393 0.5716 0.0280 0.0473 -0.0087 805 HIS A CB \n818 C CG . HIS A 113 ? 0.6849 0.6450 0.6785 0.0329 0.0495 -0.0105 805 HIS A CG \n819 N ND1 . HIS A 113 ? 0.7015 0.6694 0.7060 0.0334 0.0453 -0.0108 805 HIS A ND1 \n820 C CD2 . HIS A 113 ? 0.7209 0.6756 0.7076 0.0376 0.0551 -0.0123 805 HIS A CD2 \n821 C CE1 . HIS A 113 ? 0.7756 0.7428 0.7802 0.0382 0.0478 -0.0125 805 HIS A CE1 \n822 N NE2 . HIS A 113 ? 0.8042 0.7638 0.7986 0.0410 0.0539 -0.0136 805 HIS A NE2 \n823 N N . LYS A 114 ? 0.6002 0.5337 0.5659 0.0187 0.0321 -0.0057 806 LYS A N \n824 C CA . LYS A 114 ? 0.6080 0.5379 0.5702 0.0147 0.0292 -0.0042 806 LYS A CA \n825 C C . LYS A 114 ? 0.7608 0.6818 0.7108 0.0144 0.0349 -0.0038 806 LYS A C \n826 O O . LYS A 114 ? 0.7233 0.6492 0.6778 0.0123 0.0372 -0.0027 806 LYS A O \n827 C CB . LYS A 114 ? 0.5873 0.5082 0.5427 0.0123 0.0202 -0.0035 806 LYS A CB \n828 C CG . LYS A 114 ? 0.7904 0.7055 0.7408 0.0086 0.0163 -0.0020 806 LYS A CG \n829 C CD . LYS A 114 ? 0.8675 0.7736 0.8116 0.0063 0.0072 -0.0012 806 LYS A CD \n830 C CE . LYS A 114 ? 0.8782 0.7789 0.8185 0.0030 0.0031 0.0001 806 LYS A CE \n831 N NZ . LYS A 114 ? 0.8261 0.7127 0.7543 0.0011 -0.0048 0.0010 806 LYS A NZ \n832 N N . ASP A 115 ? 0.7263 0.6340 0.6603 0.0165 0.0373 -0.0048 807 ASP A N \n833 C CA . ASP A 115 ? 0.7804 0.6772 0.6997 0.0161 0.0427 -0.0045 807 ASP A CA \n834 C C . ASP A 115 ? 0.8540 0.7601 0.7799 0.0176 0.0530 -0.0048 807 ASP A C \n835 O O . ASP A 115 ? 0.7816 0.6802 0.6964 0.0167 0.0585 -0.0044 807 ASP A O \n836 C CB . ASP A 115 ? 0.8687 0.7477 0.7680 0.0182 0.0425 -0.0057 807 ASP A CB \n837 C CG . ASP A 115 ? 1.0147 0.8829 0.9061 0.0159 0.0319 -0.0050 807 ASP A CG \n838 O OD1 . ASP A 115 ? 0.9490 0.8207 0.8468 0.0121 0.0255 -0.0033 807 ASP A OD1 \n839 O OD2 . ASP A 115 ? 1.0384 0.8947 0.9173 0.0178 0.0300 -0.0060 807 ASP A OD2 \n840 N N . ASN A 116 ? 0.6258 0.5480 0.5695 0.0196 0.0555 -0.0054 808 ASN A N \n841 C CA . ASN A 116 ? 0.7510 0.6839 0.7038 0.0209 0.0647 -0.0054 808 ASN A CA \n842 C C . ASN A 116 ? 0.6852 0.6342 0.6568 0.0185 0.0639 -0.0041 808 ASN A C \n843 O O . ASN A 116 ? 0.6441 0.6033 0.6254 0.0191 0.0706 -0.0038 808 ASN A O \n844 C CB . ASN A 116 ? 0.6487 0.5854 0.6049 0.0265 0.0703 -0.0076 808 ASN A CB \n845 C CG . ASN A 116 ? 0.8406 0.7616 0.7774 0.0294 0.0744 -0.0091 808 ASN A CG \n846 O OD1 . ASN A 116 ? 0.9816 0.8953 0.9072 0.0282 0.0800 -0.0087 808 ASN A OD1 \n847 N ND2 . ASN A 116 ? 0.8244 0.7393 0.7563 0.0330 0.0715 -0.0109 808 ASN A ND2 \n848 N N . ILE A 117 ? 0.6391 0.5902 0.6160 0.0158 0.0556 -0.0032 809 ILE A N \n849 C CA . ILE A 117 ? 0.5335 0.4983 0.5269 0.0136 0.0539 -0.0021 809 ILE A CA \n850 C C . ILE A 117 ? 0.5969 0.5588 0.5868 0.0093 0.0532 -0.0002 809 ILE A C \n851 O O . ILE A 117 ? 0.5430 0.4950 0.5235 0.0069 0.0474 0.0003 809 ILE A O \n852 C CB . ILE A 117 ? 0.5302 0.5001 0.5324 0.0134 0.0460 -0.0024 809 ILE A CB \n853 C CG1 . ILE A 117 ? 0.4537 0.4281 0.4612 0.0173 0.0468 -0.0040 809 ILE A CG1 \n854 C CG2 . ILE A 117 ? 0.4892 0.4707 0.5056 0.0108 0.0437 -0.0013 809 ILE A CG2 \n855 C CD1 . ILE A 117 ? 0.4454 0.4207 0.4564 0.0169 0.0391 -0.0044 809 ILE A CD1 \n856 N N . GLY A 118 ? 0.5449 0.5155 0.5429 0.0081 0.0587 0.0007 810 GLY A N \n857 C CA . GLY A 118 ? 0.5873 0.5558 0.5829 0.0037 0.0583 0.0026 810 GLY A CA \n858 C C . GLY A 118 ? 0.5178 0.4959 0.5269 0.0015 0.0529 0.0035 810 GLY A C \n859 O O . GLY A 118 ? 0.5092 0.4971 0.5308 0.0032 0.0504 0.0027 810 GLY A O \n860 N N . SER A 119 ? 0.4714 0.4457 0.4770 -0.0023 0.0510 0.0052 811 SER A N \n861 C CA . SER A 119 ? 0.5029 0.4838 0.5189 -0.0043 0.0453 0.0059 811 SER A CA \n862 C C . SER A 119 ? 0.5052 0.5011 0.5379 -0.0038 0.0480 0.0060 811 SER A C \n863 O O . SER A 119 ? 0.4350 0.4377 0.4779 -0.0037 0.0431 0.0056 811 SER A O \n864 C CB . SER A 119 ? 0.5489 0.5218 0.5569 -0.0084 0.0431 0.0076 811 SER A CB \n865 O OG . SER A 119 ? 0.5924 0.5636 0.5952 -0.0103 0.0506 0.0090 811 SER A OG \n866 N N . GLN A 120 ? 0.4439 0.4446 0.4793 -0.0036 0.0559 0.0066 812 GLN A N \n867 C CA . GLN A 120 ? 0.4489 0.4637 0.5003 -0.0035 0.0585 0.0071 812 GLN A CA \n868 C C . GLN A 120 ? 0.4343 0.4570 0.4962 0.0000 0.0561 0.0054 812 GLN A C \n869 O O . GLN A 120 ? 0.3946 0.4263 0.4687 -0.0004 0.0531 0.0056 812 GLN A O \n870 C CB . GLN A 120 ? 0.5184 0.5369 0.5708 -0.0035 0.0678 0.0080 812 GLN A CB \n871 C CG . GLN A 120 ? 0.4949 0.5279 0.5644 -0.0042 0.0703 0.0090 812 GLN A CG \n872 C CD . GLN A 120 ? 0.5588 0.5933 0.6318 -0.0091 0.0671 0.0112 812 GLN A CD \n873 O OE1 . GLN A 120 ? 0.5296 0.5608 0.5971 -0.0127 0.0707 0.0132 812 GLN A OE1 \n874 N NE2 . GLN A 120 ? 0.4927 0.5318 0.5741 -0.0092 0.0604 0.0109 812 GLN A NE2 \n875 N N . TYR A 121 ? 0.3846 0.4033 0.4409 0.0035 0.0573 0.0038 813 TYR A N \n876 C CA . TYR A 121 ? 0.3790 0.4039 0.4437 0.0067 0.0550 0.0022 813 TYR A CA \n877 C C . TYR A 121 ? 0.3641 0.3887 0.4309 0.0058 0.0469 0.0018 813 TYR A C \n878 O O . TYR A 121 ? 0.3389 0.3720 0.4168 0.0064 0.0445 0.0014 813 TYR A O \n879 C CB . TYR A 121 ? 0.4580 0.4766 0.5143 0.0105 0.0575 0.0005 813 TYR A CB \n880 C CG . TYR A 121 ? 0.6258 0.6496 0.6862 0.0132 0.0655 0.0002 813 TYR A CG \n881 C CD1 . TYR A 121 ? 0.6517 0.6852 0.7245 0.0164 0.0662 -0.0007 813 TYR A CD1 \n882 C CD2 . TYR A 121 ? 0.6474 0.6665 0.6996 0.0126 0.0724 0.0008 813 TYR A CD2 \n883 C CE1 . TYR A 121 ? 0.8278 0.8668 0.9058 0.0193 0.0734 -0.0011 813 TYR A CE1 \n884 C CE2 . TYR A 121 ? 0.7789 0.8038 0.8360 0.0153 0.0804 0.0004 813 TYR A CE2 \n885 C CZ . TYR A 121 ? 0.8693 0.9046 0.9400 0.0189 0.0808 -0.0006 813 TYR A CZ \n886 O OH . TYR A 121 ? 0.9235 0.9653 1.0004 0.0220 0.0886 -0.0012 813 TYR A OH \n887 N N . LEU A 122 ? 0.4396 0.4543 0.4958 0.0043 0.0428 0.0018 814 LEU A N \n888 C CA . LEU A 122 ? 0.3665 0.3811 0.4249 0.0036 0.0356 0.0013 814 LEU A CA \n889 C C . LEU A 122 ? 0.4173 0.4395 0.4860 0.0016 0.0331 0.0020 814 LEU A C \n890 O O . LEU A 122 ? 0.3781 0.4062 0.4547 0.0021 0.0296 0.0012 814 LEU A O \n891 C CB . LEU A 122 ? 0.4188 0.4216 0.4649 0.0021 0.0314 0.0015 814 LEU A CB \n892 C CG . LEU A 122 ? 0.4067 0.4004 0.4418 0.0040 0.0312 0.0007 814 LEU A CG \n893 C CD1 . LEU A 122 ? 0.3933 0.3736 0.4142 0.0021 0.0289 0.0014 814 LEU A CD1 \n894 C CD2 . LEU A 122 ? 0.3891 0.3859 0.4291 0.0052 0.0264 -0.0004 814 LEU A CD2 \n895 N N . LEU A 123 ? 0.3817 0.4032 0.4495 -0.0008 0.0350 0.0035 815 LEU A N \n896 C CA . LEU A 123 ? 0.3759 0.4034 0.4524 -0.0028 0.0326 0.0042 815 LEU A CA \n897 C C . LEU A 123 ? 0.3215 0.3603 0.4107 -0.0019 0.0347 0.0042 815 LEU A C \n898 O O . LEU A 123 ? 0.2829 0.3269 0.3800 -0.0023 0.0310 0.0039 815 LEU A O \n899 C CB . LEU A 123 ? 0.3465 0.3691 0.4177 -0.0061 0.0335 0.0060 815 LEU A CB \n900 C CG . LEU A 123 ? 0.4061 0.4170 0.4656 -0.0074 0.0292 0.0061 815 LEU A CG \n901 C CD1 . LEU A 123 ? 0.4393 0.4437 0.4911 -0.0108 0.0312 0.0081 815 LEU A CD1 \n902 C CD2 . LEU A 123 ? 0.4524 0.4642 0.5162 -0.0073 0.0220 0.0052 815 LEU A CD2 \n903 N N . ASN A 124 ? 0.3434 0.3856 0.4348 -0.0006 0.0405 0.0045 816 ASN A N \n904 C CA . ASN A 124 ? 0.3484 0.4013 0.4525 0.0005 0.0420 0.0044 816 ASN A CA \n905 C C . ASN A 124 ? 0.3058 0.3612 0.4138 0.0029 0.0380 0.0027 816 ASN A C \n906 O O . ASN A 124 ? 0.3020 0.3639 0.4190 0.0027 0.0355 0.0026 816 ASN A O \n907 C CB . ASN A 124 ? 0.3402 0.3966 0.4466 0.0021 0.0491 0.0048 816 ASN A CB \n908 C CG . ASN A 124 ? 0.4751 0.5329 0.5821 -0.0009 0.0537 0.0069 816 ASN A CG \n909 O OD1 . ASN A 124 ? 0.5089 0.5652 0.6152 -0.0044 0.0510 0.0083 816 ASN A OD1 \n910 N ND2 . ASN A 124 ? 0.5045 0.5652 0.6127 0.0004 0.0607 0.0072 816 ASN A ND2 \n911 N N . TRP A 125 ? 0.3493 0.3987 0.4495 0.0049 0.0370 0.0014 817 TRP A N \n912 C CA . TRP A 125 ? 0.3803 0.4316 0.4835 0.0064 0.0330 0.0000 817 TRP A CA \n913 C C . TRP A 125 ? 0.3072 0.3602 0.4139 0.0045 0.0278 0.0000 817 TRP A C \n914 O O . TRP A 125 ? 0.2947 0.3528 0.4079 0.0050 0.0255 -0.0007 817 TRP A O \n915 C CB . TRP A 125 ? 0.4000 0.4440 0.4940 0.0082 0.0322 -0.0010 817 TRP A CB \n916 C CG . TRP A 125 ? 0.4051 0.4471 0.4957 0.0110 0.0372 -0.0014 817 TRP A CG \n917 C CD1 . TRP A 125 ? 0.4358 0.4846 0.5342 0.0128 0.0414 -0.0013 817 TRP A CD1 \n918 C CD2 . TRP A 125 ? 0.3837 0.4162 0.4623 0.0123 0.0385 -0.0020 817 TRP A CD2 \n919 N NE1 . TRP A 125 ? 0.3879 0.4321 0.4799 0.0157 0.0456 -0.0021 817 TRP A NE1 \n920 C CE2 . TRP A 125 ? 0.4976 0.5312 0.5766 0.0153 0.0439 -0.0025 817 TRP A CE2 \n921 C CE3 . TRP A 125 ? 0.4140 0.4367 0.4814 0.0113 0.0352 -0.0021 817 TRP A CE3 \n922 C CZ2 . TRP A 125 ? 0.4287 0.4532 0.4962 0.0175 0.0466 -0.0033 817 TRP A CZ2 \n923 C CZ3 . TRP A 125 ? 0.4509 0.4642 0.5066 0.0130 0.0373 -0.0027 817 TRP A CZ3 \n924 C CH2 . TRP A 125 ? 0.4765 0.4904 0.5318 0.0162 0.0431 -0.0034 817 TRP A CH2 \n925 N N . CYS A 126 ? 0.3464 0.3947 0.4482 0.0025 0.0259 0.0003 818 CYS A N \n926 C CA . CYS A 126 ? 0.3069 0.3563 0.4116 0.0013 0.0211 0.0000 818 CYS A CA \n927 C C . CYS A 126 ? 0.2921 0.3482 0.4057 0.0003 0.0208 0.0004 818 CYS A C \n928 O O . CYS A 126 ? 0.2523 0.3117 0.3705 0.0003 0.0177 -0.0004 818 CYS A O \n929 C CB . CYS A 126 ? 0.3421 0.3845 0.4399 -0.0002 0.0189 0.0004 818 CYS A CB \n930 S SG . CYS A 126 ? 0.3710 0.4046 0.4582 0.0006 0.0172 -0.0001 818 CYS A SG \n931 N N . VAL A 127 ? 0.3164 0.3745 0.4322 -0.0007 0.0243 0.0019 819 VAL A N \n932 C CA . VAL A 127 ? 0.2773 0.3416 0.4019 -0.0020 0.0239 0.0028 819 VAL A CA \n933 C C . VAL A 127 ? 0.2173 0.2877 0.3490 -0.0003 0.0235 0.0020 819 VAL A C \n934 O O . VAL A 127 ? 0.2825 0.3557 0.4190 -0.0008 0.0203 0.0016 819 VAL A O \n935 C CB . VAL A 127 ? 0.3231 0.3894 0.4498 -0.0039 0.0281 0.0049 819 VAL A CB \n936 C CG1 . VAL A 127 ? 0.3507 0.4240 0.4876 -0.0053 0.0271 0.0059 819 VAL A CG1 \n937 C CG2 . VAL A 127 ? 0.3588 0.4182 0.4779 -0.0064 0.0276 0.0060 819 VAL A CG2 \n938 N N . GLN A 128 ? 0.2513 0.3228 0.3831 0.0017 0.0268 0.0018 820 GLN A N \n939 C CA . GLN A 128 ? 0.2343 0.3107 0.3724 0.0036 0.0263 0.0011 820 GLN A CA \n940 C C . GLN A 128 ? 0.2965 0.3717 0.4333 0.0041 0.0219 -0.0003 820 GLN A C \n941 O O . GLN A 128 ? 0.2587 0.3376 0.4011 0.0040 0.0197 -0.0005 820 GLN A O \n942 C CB . GLN A 128 ? 0.3116 0.3877 0.4483 0.0063 0.0303 0.0008 820 GLN A CB \n943 C CG . GLN A 128 ? 0.3014 0.3815 0.4428 0.0061 0.0354 0.0022 820 GLN A CG \n944 C CD . GLN A 128 ? 0.4360 0.5151 0.5750 0.0092 0.0401 0.0016 820 GLN A CD \n945 O OE1 . GLN A 128 ? 0.4226 0.4990 0.5583 0.0119 0.0390 0.0001 820 GLN A OE1 \n946 N NE2 . GLN A 128 ? 0.4222 0.5032 0.5624 0.0089 0.0458 0.0027 820 GLN A NE2 \n947 N N . ILE A 129 ? 0.2745 0.3444 0.4037 0.0043 0.0208 -0.0012 821 ILE A N \n948 C CA . ILE A 129 ? 0.2781 0.3473 0.4062 0.0043 0.0171 -0.0025 821 ILE A CA \n949 C C . ILE A 129 ? 0.2023 0.2736 0.3339 0.0027 0.0142 -0.0027 821 ILE A C \n950 O O . ILE A 129 ? 0.2201 0.2936 0.3545 0.0026 0.0121 -0.0034 821 ILE A O \n951 C CB . ILE A 129 ? 0.3011 0.3648 0.4214 0.0047 0.0162 -0.0033 821 ILE A CB \n952 C CG1 . ILE A 129 ? 0.2612 0.3216 0.3769 0.0065 0.0184 -0.0033 821 ILE A CG1 \n953 C CG2 . ILE A 129 ? 0.2427 0.3072 0.3634 0.0041 0.0127 -0.0044 821 ILE A CG2 \n954 C CD1 . ILE A 129 ? 0.2546 0.3081 0.3614 0.0065 0.0177 -0.0036 821 ILE A CD1 \n955 N N . ALA A 130 ? 0.2263 0.2961 0.3571 0.0013 0.0141 -0.0020 822 ALA A N \n956 C CA . ALA A 130 ? 0.2648 0.3356 0.3983 0.0001 0.0114 -0.0023 822 ALA A CA \n957 C C . ALA A 130 ? 0.2176 0.2927 0.3577 -0.0005 0.0110 -0.0015 822 ALA A C \n958 O O . ALA A 130 ? 0.2110 0.2869 0.3528 -0.0010 0.0083 -0.0023 822 ALA A O \n959 C CB . ALA A 130 ? 0.3410 0.4080 0.4714 -0.0011 0.0108 -0.0016 822 ALA A CB \n960 N N . LYS A 131 ? 0.2165 0.2944 0.3604 -0.0005 0.0136 -0.0001 823 LYS A N \n961 C CA . LYS A 131 ? 0.2365 0.3187 0.3876 -0.0012 0.0124 0.0006 823 LYS A CA \n962 C C . LYS A 131 ? 0.2161 0.2993 0.3682 0.0000 0.0104 -0.0006 823 LYS A C \n963 O O . LYS A 131 ? 0.2511 0.3350 0.4057 -0.0009 0.0074 -0.0007 823 LYS A O \n964 C CB . LYS A 131 ? 0.2041 0.2903 0.3607 -0.0013 0.0159 0.0023 823 LYS A CB \n965 C CG . LYS A 131 ? 0.2813 0.3670 0.4377 -0.0035 0.0178 0.0041 823 LYS A CG \n966 C CD . LYS A 131 ? 0.3170 0.4080 0.4799 -0.0036 0.0221 0.0058 823 LYS A CD \n967 C CE . LYS A 131 ? 0.3869 0.4766 0.5481 -0.0065 0.0244 0.0077 823 LYS A CE \n968 N NZ . LYS A 131 ? 0.3992 0.4952 0.5680 -0.0073 0.0289 0.0096 823 LYS A NZ \n969 N N . GLY A 132 ? 0.2438 0.3263 0.3933 0.0018 0.0118 -0.0013 824 GLY A N \n970 C CA . GLY A 132 ? 0.2949 0.3773 0.4442 0.0027 0.0097 -0.0023 824 GLY A CA \n971 C C . GLY A 132 ? 0.2556 0.3358 0.4010 0.0017 0.0070 -0.0037 824 GLY A C \n972 O O . GLY A 132 ? 0.2320 0.3121 0.3780 0.0012 0.0045 -0.0042 824 GLY A O \n973 N N . MET A 133 ? 0.2756 0.3535 0.4168 0.0014 0.0074 -0.0044 825 MET A N \n974 C CA . MET A 133 ? 0.2415 0.3182 0.3800 0.0008 0.0054 -0.0058 825 MET A CA \n975 C C . MET A 133 ? 0.2200 0.2969 0.3609 -0.0002 0.0034 -0.0059 825 MET A C \n976 O O . MET A 133 ? 0.2570 0.3332 0.3967 -0.0006 0.0016 -0.0069 825 MET A O \n977 C CB . MET A 133 ? 0.2697 0.3444 0.4045 0.0011 0.0059 -0.0065 825 MET A CB \n978 C CG . MET A 133 ? 0.2882 0.3616 0.4196 0.0018 0.0070 -0.0066 825 MET A CG \n979 S SD . MET A 133 ? 0.2980 0.3717 0.4276 0.0016 0.0059 -0.0075 825 MET A SD \n980 C CE . MET A 133 ? 0.2782 0.3528 0.4072 0.0007 0.0047 -0.0091 825 MET A CE \n981 N N . ASN A 134 ? 0.2729 0.3501 0.4164 -0.0009 0.0036 -0.0046 826 ASN A N \n982 C CA . ASN A 134 ? 0.2637 0.3402 0.4089 -0.0022 0.0011 -0.0043 826 ASN A CA \n983 C C . ASN A 134 ? 0.2311 0.3089 0.3793 -0.0028 -0.0006 -0.0039 826 ASN A C \n984 O O . ASN A 134 ? 0.2049 0.2805 0.3518 -0.0036 -0.0033 -0.0046 826 ASN A O \n985 C CB . ASN A 134 ? 0.2552 0.3316 0.4025 -0.0035 0.0015 -0.0026 826 ASN A CB \n986 C CG . ASN A 134 ? 0.2872 0.3618 0.4355 -0.0050 -0.0016 -0.0023 826 ASN A CG \n987 O OD1 . ASN A 134 ? 0.2790 0.3502 0.4236 -0.0048 -0.0035 -0.0039 826 ASN A OD1 \n988 N ND2 . ASN A 134 ? 0.3161 0.3930 0.4697 -0.0067 -0.0022 -0.0003 826 ASN A ND2 \n989 N N . TYR A 135 ? 0.3105 0.3910 0.4622 -0.0022 0.0005 -0.0029 827 TYR A N \n990 C CA . TYR A 135 ? 0.3005 0.3817 0.4551 -0.0024 -0.0018 -0.0025 827 TYR A CA \n991 C C . TYR A 135 ? 0.3095 0.3877 0.4586 -0.0023 -0.0034 -0.0042 827 TYR A C \n992 O O . TYR A 135 ? 0.2580 0.3339 0.4059 -0.0033 -0.0064 -0.0045 827 TYR A O \n993 C CB . TYR A 135 ? 0.2700 0.3548 0.4300 -0.0012 -0.0002 -0.0013 827 TYR A CB \n994 C CG . TYR A 135 ? 0.2522 0.3374 0.4155 -0.0012 -0.0034 -0.0009 827 TYR A CG \n995 C CD1 . TYR A 135 ? 0.2716 0.3591 0.4421 -0.0025 -0.0058 0.0007 827 TYR A CD1 \n996 C CD2 . TYR A 135 ? 0.2559 0.3387 0.4152 -0.0003 -0.0044 -0.0020 827 TYR A CD2 \n997 C CE1 . TYR A 135 ? 0.2225 0.3097 0.3960 -0.0025 -0.0096 0.0010 827 TYR A CE1 \n998 C CE2 . TYR A 135 ? 0.2327 0.3144 0.3938 -0.0004 -0.0080 -0.0017 827 TYR A CE2 \n999 C CZ . TYR A 135 ? 0.2952 0.3792 0.4638 -0.0014 -0.0107 -0.0001 827 TYR A CZ \n1000 O OH . TYR A 135 ? 0.2765 0.3587 0.4465 -0.0015 -0.0149 0.0002 827 TYR A OH \n1001 N N . LEU A 136 ? 0.2850 0.3626 0.4299 -0.0013 -0.0014 -0.0054 828 LEU A N \n1002 C CA . LEU A 136 ? 0.3200 0.3949 0.4593 -0.0017 -0.0024 -0.0069 828 LEU A CA \n1003 C C . LEU A 136 ? 0.2565 0.3293 0.3928 -0.0026 -0.0035 -0.0082 828 LEU A C \n1004 O O . LEU A 136 ? 0.2420 0.3121 0.3745 -0.0035 -0.0050 -0.0091 828 LEU A O \n1005 C CB . LEU A 136 ? 0.2383 0.3133 0.3743 -0.0009 -0.0003 -0.0076 828 LEU A CB \n1006 C CG . LEU A 136 ? 0.2675 0.3429 0.4044 0.0001 0.0003 -0.0067 828 LEU A CG \n1007 C CD1 . LEU A 136 ? 0.3675 0.4418 0.5000 0.0006 0.0018 -0.0074 828 LEU A CD1 \n1008 C CD2 . LEU A 136 ? 0.3425 0.4162 0.4790 -0.0001 -0.0022 -0.0065 828 LEU A CD2 \n1009 N N . GLU A 137 ? 0.2623 0.3355 0.3995 -0.0023 -0.0028 -0.0084 829 GLU A N \n1010 C CA . GLU A 137 ? 0.2497 0.3204 0.3839 -0.0026 -0.0038 -0.0099 829 GLU A CA \n1011 C C . GLU A 137 ? 0.2903 0.3582 0.4246 -0.0038 -0.0070 -0.0093 829 GLU A C \n1012 O O . GLU A 137 ? 0.2719 0.3362 0.4016 -0.0043 -0.0083 -0.0107 829 GLU A O \n1013 C CB . GLU A 137 ? 0.2417 0.3127 0.3766 -0.0018 -0.0029 -0.0103 829 GLU A CB \n1014 C CG . GLU A 137 ? 0.3239 0.3920 0.4559 -0.0013 -0.0041 -0.0121 829 GLU A CG \n1015 C CD . GLU A 137 ? 0.3011 0.3689 0.4336 -0.0002 -0.0038 -0.0127 829 GLU A CD \n1016 O OE1 . GLU A 137 ? 0.3522 0.4214 0.4866 -0.0001 -0.0029 -0.0114 829 GLU A OE1 \n1017 O OE2 . GLU A 137 ? 0.2614 0.3266 0.3918 0.0006 -0.0049 -0.0144 829 GLU A OE2 \n1018 N N . ASP A 138 ? 0.2938 0.3631 0.4331 -0.0046 -0.0082 -0.0072 830 ASP A N \n1019 C CA . ASP A 138 ? 0.3482 0.4150 0.4885 -0.0061 -0.0120 -0.0063 830 ASP A CA \n1020 C C . ASP A 138 ? 0.3156 0.3800 0.4526 -0.0065 -0.0138 -0.0067 830 ASP A C \n1021 O O . ASP A 138 ? 0.3396 0.3992 0.4729 -0.0077 -0.0169 -0.0071 830 ASP A O \n1022 C CB . ASP A 138 ? 0.3161 0.3864 0.4643 -0.0069 -0.0127 -0.0037 830 ASP A CB \n1023 C CG . ASP A 138 ? 0.3517 0.4220 0.5013 -0.0076 -0.0123 -0.0029 830 ASP A CG \n1024 O OD1 . ASP A 138 ? 0.3534 0.4276 0.5086 -0.0080 -0.0106 -0.0011 830 ASP A OD1 \n1025 O OD2 . ASP A 138 ? 0.3670 0.4331 0.5118 -0.0077 -0.0135 -0.0042 830 ASP A OD2 \n1026 N N . ARG A 139 ? 0.2447 0.3112 0.3820 -0.0057 -0.0120 -0.0067 831 ARG A N \n1027 C CA . ARG A 139 ? 0.2861 0.3495 0.4191 -0.0063 -0.0137 -0.0072 831 ARG A CA \n1028 C C . ARG A 139 ? 0.3278 0.3880 0.4524 -0.0066 -0.0122 -0.0094 831 ARG A C \n1029 O O . ARG A 139 ? 0.3677 0.4246 0.4871 -0.0076 -0.0132 -0.0099 831 ARG A O \n1030 C CB . ARG A 139 ? 0.3281 0.3942 0.4641 -0.0053 -0.0129 -0.0063 831 ARG A CB \n1031 C CG . ARG A 139 ? 0.5493 0.6181 0.6935 -0.0049 -0.0150 -0.0043 831 ARG A CG \n1032 C CD . ARG A 139 ? 0.6223 0.6872 0.7664 -0.0066 -0.0200 -0.0036 831 ARG A CD \n1033 N NE . ARG A 139 ? 0.7011 0.7682 0.8531 -0.0064 -0.0231 -0.0017 831 ARG A NE \n1034 C CZ . ARG A 139 ? 0.6608 0.7280 0.8142 -0.0051 -0.0242 -0.0015 831 ARG A CZ \n1035 N NH1 . ARG A 139 ? 0.4717 0.5413 0.6335 -0.0046 -0.0273 0.0000 831 ARG A NH1 \n1036 N NH2 . ARG A 139 ? 0.8824 0.9473 1.0291 -0.0044 -0.0223 -0.0028 831 ARG A NH2 \n1037 N N . ARG A 140 ? 0.3438 0.4049 0.4673 -0.0059 -0.0099 -0.0108 832 ARG A N \n1038 C CA . ARG A 140 ? 0.2688 0.3284 0.3860 -0.0060 -0.0077 -0.0130 832 ARG A CA \n1039 C C . ARG A 140 ? 0.2808 0.3420 0.3960 -0.0063 -0.0057 -0.0132 832 ARG A C \n1040 O O . ARG A 140 ? 0.4504 0.5093 0.5596 -0.0075 -0.0049 -0.0143 832 ARG A O \n1041 C CB . ARG A 140 ? 0.2841 0.3375 0.3945 -0.0071 -0.0098 -0.0141 832 ARG A CB \n1042 C CG . ARG A 140 ? 0.4358 0.4866 0.5476 -0.0069 -0.0124 -0.0139 832 ARG A CG \n1043 C CD . ARG A 140 ? 0.5166 0.5598 0.6205 -0.0080 -0.0149 -0.0150 832 ARG A CD \n1044 N NE . ARG A 140 ? 0.5085 0.5499 0.6058 -0.0072 -0.0117 -0.0178 832 ARG A NE \n1045 C CZ . ARG A 140 ? 0.7086 0.7431 0.7968 -0.0081 -0.0123 -0.0193 832 ARG A CZ \n1046 N NH1 . ARG A 140 ? 0.7962 0.8305 0.8795 -0.0070 -0.0083 -0.0220 832 ARG A NH1 \n1047 N NH2 . ARG A 140 ? 0.6245 0.6521 0.7082 -0.0099 -0.0168 -0.0182 832 ARG A NH2 \n1048 N N . LEU A 141 ? 0.2907 0.3555 0.4103 -0.0055 -0.0048 -0.0120 833 LEU A N \n1049 C CA . LEU A 141 ? 0.3721 0.4378 0.4899 -0.0058 -0.0034 -0.0119 833 LEU A CA \n1050 C C . LEU A 141 ? 0.3766 0.4462 0.4969 -0.0047 -0.0007 -0.0122 833 LEU A C \n1051 O O . LEU A 141 ? 0.3213 0.3928 0.4457 -0.0034 -0.0004 -0.0112 833 LEU A O \n1052 C CB . LEU A 141 ? 0.3742 0.4393 0.4941 -0.0055 -0.0054 -0.0102 833 LEU A CB \n1053 C CG . LEU A 141 ? 0.4258 0.4891 0.5419 -0.0061 -0.0056 -0.0099 833 LEU A CG \n1054 C CD1 . LEU A 141 ? 0.5465 0.6095 0.6662 -0.0049 -0.0076 -0.0085 833 LEU A CD1 \n1055 C CD2 . LEU A 141 ? 0.6011 0.6667 0.7163 -0.0060 -0.0028 -0.0103 833 LEU A CD2 \n1056 N N . VAL A 142 ? 0.2756 0.3463 0.3933 -0.0052 0.0011 -0.0136 834 VAL A N \n1057 C CA . VAL A 142 ? 0.2583 0.3323 0.3784 -0.0044 0.0029 -0.0139 834 VAL A CA \n1058 C C . VAL A 142 ? 0.2312 0.3049 0.3502 -0.0050 0.0028 -0.0126 834 VAL A C \n1059 O O . VAL A 142 ? 0.2926 0.3642 0.4076 -0.0066 0.0022 -0.0124 834 VAL A O \n1060 C CB . VAL A 142 ? 0.2625 0.3387 0.3815 -0.0049 0.0049 -0.0157 834 VAL A CB \n1061 C CG1 . VAL A 142 ? 0.2351 0.3148 0.3580 -0.0039 0.0059 -0.0158 834 VAL A CG1 \n1062 C CG2 . VAL A 142 ? 0.2941 0.3690 0.4126 -0.0041 0.0049 -0.0172 834 VAL A CG2 \n1063 N N . HIS A 143 ? 0.2424 0.3173 0.3641 -0.0037 0.0031 -0.0119 835 HIS A N \n1064 C CA . HIS A 143 ? 0.2303 0.3038 0.3504 -0.0037 0.0029 -0.0108 835 HIS A CA \n1065 C C . HIS A 143 ? 0.2785 0.3524 0.3958 -0.0054 0.0033 -0.0111 835 HIS A C \n1066 O O . HIS A 143 ? 0.2772 0.3489 0.3905 -0.0070 0.0026 -0.0107 835 HIS A O \n1067 C CB . HIS A 143 ? 0.2254 0.2991 0.3477 -0.0020 0.0035 -0.0101 835 HIS A CB \n1068 C CG . HIS A 143 ? 0.2639 0.3350 0.3840 -0.0013 0.0033 -0.0090 835 HIS A CG \n1069 N ND1 . HIS A 143 ? 0.2639 0.3331 0.3801 -0.0022 0.0028 -0.0089 835 HIS A ND1 \n1070 C CD2 . HIS A 143 ? 0.3124 0.3823 0.4335 0.0003 0.0037 -0.0082 835 HIS A CD2 \n1071 C CE1 . HIS A 143 ? 0.2792 0.3452 0.3931 -0.0010 0.0026 -0.0081 835 HIS A CE1 \n1072 N NE2 . HIS A 143 ? 0.2829 0.3498 0.4002 0.0008 0.0035 -0.0078 835 HIS A NE2 \n1073 N N . ARG A 144 ? 0.2578 0.3346 0.3775 -0.0053 0.0043 -0.0119 836 ARG A N \n1074 C CA . ARG A 144 ? 0.2466 0.3254 0.3657 -0.0070 0.0048 -0.0121 836 ARG A CA \n1075 C C . ARG A 144 ? 0.3245 0.4013 0.4417 -0.0075 0.0037 -0.0108 836 ARG A C \n1076 O O . ARG A 144 ? 0.3320 0.4106 0.4494 -0.0093 0.0036 -0.0108 836 ARG A O \n1077 C CB . ARG A 144 ? 0.3143 0.3933 0.4301 -0.0095 0.0055 -0.0126 836 ARG A CB \n1078 C CG . ARG A 144 ? 0.3063 0.3864 0.4226 -0.0093 0.0068 -0.0141 836 ARG A CG \n1079 C CD . ARG A 144 ? 0.3889 0.4679 0.5002 -0.0120 0.0077 -0.0144 836 ARG A CD \n1080 N NE . ARG A 144 ? 0.3925 0.4712 0.5027 -0.0116 0.0089 -0.0160 836 ARG A NE \n1081 C CZ . ARG A 144 ? 0.4796 0.5540 0.5869 -0.0112 0.0073 -0.0159 836 ARG A CZ \n1082 N NH1 . ARG A 144 ? 0.4962 0.5672 0.6027 -0.0109 0.0047 -0.0144 836 ARG A NH1 \n1083 N NH2 . ARG A 144 ? 0.5225 0.5957 0.6277 -0.0110 0.0083 -0.0175 836 ARG A NH2 \n1084 N N . ASP A 145 ? 0.2918 0.3649 0.4072 -0.0060 0.0028 -0.0099 837 ASP A N \n1085 C CA . ASP A 145 ? 0.3226 0.3922 0.4347 -0.0061 0.0017 -0.0089 837 ASP A CA \n1086 C C . ASP A 145 ? 0.2545 0.3213 0.3662 -0.0036 0.0019 -0.0083 837 ASP A C \n1087 O O . ASP A 145 ? 0.2949 0.3572 0.4025 -0.0028 0.0014 -0.0076 837 ASP A O \n1088 C CB . ASP A 145 ? 0.3879 0.4540 0.4949 -0.0078 0.0005 -0.0082 837 ASP A CB \n1089 C CG . ASP A 145 ? 0.4482 0.5099 0.5507 -0.0084 -0.0011 -0.0072 837 ASP A CG \n1090 O OD1 . ASP A 145 ? 0.4477 0.5045 0.5450 -0.0087 -0.0024 -0.0066 837 ASP A OD1 \n1091 O OD2 . ASP A 145 ? 0.4400 0.5023 0.5435 -0.0087 -0.0015 -0.0070 837 ASP A OD2 \n1092 N N . LEU A 146 ? 0.2286 0.2974 0.3440 -0.0023 0.0028 -0.0087 838 LEU A N \n1093 C CA . LEU A 146 ? 0.2692 0.3353 0.3837 -0.0004 0.0034 -0.0081 838 LEU A CA \n1094 C C . LEU A 146 ? 0.3420 0.4044 0.4528 -0.0006 0.0024 -0.0076 838 LEU A C \n1095 O O . LEU A 146 ? 0.2428 0.3066 0.3549 -0.0017 0.0011 -0.0079 838 LEU A O \n1096 C CB . LEU A 146 ? 0.2292 0.2976 0.3477 0.0004 0.0043 -0.0084 838 LEU A CB \n1097 C CG . LEU A 146 ? 0.2123 0.2779 0.3295 0.0018 0.0055 -0.0075 838 LEU A CG \n1098 C CD1 . LEU A 146 ? 0.2430 0.3078 0.3599 0.0029 0.0070 -0.0069 838 LEU A CD1 \n1099 C CD2 . LEU A 146 ? 0.2684 0.3358 0.3892 0.0019 0.0058 -0.0077 838 LEU A CD2 \n1100 N N . ALA A 147 ? 0.2679 0.3253 0.3740 0.0005 0.0029 -0.0069 839 ALA A N \n1101 C CA . ALA A 147 ? 0.2880 0.3398 0.3884 0.0005 0.0017 -0.0063 839 ALA A CA \n1102 C C . ALA A 147 ? 0.2938 0.3407 0.3896 0.0026 0.0036 -0.0059 839 ALA A C \n1103 O O . ALA A 147 ? 0.3003 0.3488 0.3980 0.0039 0.0053 -0.0061 839 ALA A O \n1104 C CB . ALA A 147 ? 0.2913 0.3414 0.3888 -0.0014 -0.0006 -0.0061 839 ALA A CB \n1105 N N . ALA A 148 ? 0.2782 0.3191 0.3681 0.0031 0.0035 -0.0055 840 ALA A N \n1106 C CA . ALA A 148 ? 0.3170 0.3526 0.4015 0.0053 0.0060 -0.0053 840 ALA A CA \n1107 C C . ALA A 148 ? 0.3748 0.4080 0.4564 0.0065 0.0060 -0.0056 840 ALA A C \n1108 O O . ALA A 148 ? 0.2922 0.3251 0.3738 0.0090 0.0088 -0.0058 840 ALA A O \n1109 C CB . ALA A 148 ? 0.3648 0.3926 0.4413 0.0053 0.0054 -0.0048 840 ALA A CB \n1110 N N . ARG A 149 ? 0.2988 0.3306 0.3783 0.0048 0.0028 -0.0055 841 ARG A N \n1111 C CA . ARG A 149 ? 0.3912 0.4204 0.4679 0.0056 0.0020 -0.0057 841 ARG A CA \n1112 C C . ARG A 149 ? 0.3389 0.3737 0.4220 0.0067 0.0033 -0.0062 841 ARG A C \n1113 O O . ARG A 149 ? 0.3461 0.3780 0.4270 0.0086 0.0033 -0.0065 841 ARG A O \n1114 C CB . ARG A 149 ? 0.3254 0.3523 0.3989 0.0026 -0.0018 -0.0052 841 ARG A CB \n1115 C CG . ARG A 149 ? 0.3017 0.3362 0.3821 0.0000 -0.0028 -0.0053 841 ARG A CG \n1116 C CD . ARG A 149 ? 0.3369 0.3701 0.4149 -0.0035 -0.0061 -0.0045 841 ARG A CD \n1117 N NE . ARG A 149 ? 0.3541 0.3954 0.4393 -0.0058 -0.0058 -0.0048 841 ARG A NE \n1118 C CZ . ARG A 149 ? 0.4556 0.5014 0.5456 -0.0069 -0.0060 -0.0048 841 ARG A CZ \n1119 N NH1 . ARG A 149 ? 0.3996 0.4418 0.4875 -0.0064 -0.0071 -0.0044 841 ARG A NH1 \n1120 N NH2 . ARG A 149 ? 0.3827 0.4359 0.4793 -0.0084 -0.0051 -0.0054 841 ARG A NH2 \n1121 N N . ASN A 150 ? 0.2986 0.3407 0.3894 0.0056 0.0041 -0.0062 842 ASN A N \n1122 C CA . ASN A 150 ? 0.3323 0.3794 0.4292 0.0061 0.0046 -0.0065 842 ASN A CA \n1123 C C . ASN A 150 ? 0.2613 0.3121 0.3636 0.0081 0.0076 -0.0065 842 ASN A C \n1124 O O . ASN A 150 ? 0.2997 0.3555 0.4083 0.0079 0.0077 -0.0065 842 ASN A O \n1125 C CB . ASN A 150 ? 0.3173 0.3690 0.4177 0.0033 0.0030 -0.0067 842 ASN A CB \n1126 C CG . ASN A 150 ? 0.4294 0.4782 0.5252 0.0011 0.0004 -0.0065 842 ASN A CG \n1127 O OD1 . ASN A 150 ? 0.3412 0.3850 0.4324 0.0020 -0.0007 -0.0064 842 ASN A OD1 \n1128 N ND2 . ASN A 150 ? 0.3278 0.3796 0.4250 -0.0017 -0.0004 -0.0066 842 ASN A ND2 \n1129 N N . VAL A 151 ? 0.2519 0.2996 0.3511 0.0097 0.0099 -0.0063 843 VAL A N \n1130 C CA . VAL A 151 ? 0.3401 0.3906 0.4435 0.0116 0.0135 -0.0060 843 VAL A CA \n1131 C C . VAL A 151 ? 0.3500 0.3961 0.4494 0.0148 0.0154 -0.0064 843 VAL A C \n1132 O O . VAL A 151 ? 0.3605 0.3996 0.4514 0.0154 0.0152 -0.0066 843 VAL A O \n1133 C CB . VAL A 151 ? 0.3035 0.3535 0.4057 0.0107 0.0152 -0.0055 843 VAL A CB \n1134 C CG1 . VAL A 151 ? 0.2925 0.3456 0.3991 0.0120 0.0192 -0.0050 843 VAL A CG1 \n1135 C CG2 . VAL A 151 ? 0.2531 0.3066 0.3588 0.0080 0.0128 -0.0055 843 VAL A CG2 \n1136 N N . LEU A 152 ? 0.3408 0.3908 0.4464 0.0170 0.0170 -0.0065 844 LEU A N \n1137 C CA . LEU A 152 ? 0.3145 0.3611 0.4176 0.0208 0.0189 -0.0072 844 LEU A CA \n1138 C C . LEU A 152 ? 0.3522 0.4021 0.4594 0.0230 0.0242 -0.0070 844 LEU A C \n1139 O O . LEU A 152 ? 0.3217 0.3784 0.4370 0.0217 0.0255 -0.0062 844 LEU A O \n1140 C CB . LEU A 152 ? 0.3413 0.3893 0.4485 0.0221 0.0160 -0.0077 844 LEU A CB \n1141 C CG . LEU A 152 ? 0.3468 0.3911 0.4492 0.0196 0.0110 -0.0077 844 LEU A CG \n1142 C CD1 . LEU A 152 ? 0.3691 0.4127 0.4733 0.0208 0.0079 -0.0081 844 LEU A CD1 \n1143 C CD2 . LEU A 152 ? 0.4076 0.4436 0.4991 0.0191 0.0101 -0.0079 844 LEU A CD2 \n1144 N N . VAL A 153 ? 0.3750 0.4196 0.4762 0.0261 0.0272 -0.0078 845 VAL A N \n1145 C CA . VAL A 153 ? 0.4231 0.4704 0.5273 0.0284 0.0332 -0.0078 845 VAL A CA \n1146 C C . VAL A 153 ? 0.4480 0.5015 0.5621 0.0320 0.0348 -0.0083 845 VAL A C \n1147 O O . VAL A 153 ? 0.4598 0.5093 0.5712 0.0355 0.0340 -0.0095 845 VAL A O \n1148 C CB . VAL A 153 ? 0.4368 0.4746 0.5284 0.0301 0.0362 -0.0085 845 VAL A CB \n1149 C CG1 . VAL A 153 ? 0.3912 0.4315 0.4848 0.0323 0.0433 -0.0085 845 VAL A CG1 \n1150 C CG2 . VAL A 153 ? 0.3953 0.4271 0.4781 0.0264 0.0337 -0.0077 845 VAL A CG2 \n1151 N N . LYS A 154 ? 0.3941 0.4571 0.5201 0.0311 0.0365 -0.0073 846 LYS A N \n1152 C CA . LYS A 154 ? 0.4828 0.5529 0.6200 0.0345 0.0386 -0.0075 846 LYS A CA \n1153 C C . LYS A 154 ? 0.4150 0.4851 0.5509 0.0375 0.0460 -0.0080 846 LYS A C \n1154 O O . LYS A 154 ? 0.4911 0.5598 0.6270 0.0422 0.0480 -0.0095 846 LYS A O \n1155 C CB . LYS A 154 ? 0.3972 0.4772 0.5476 0.0320 0.0372 -0.0060 846 LYS A CB \n1156 C CG . LYS A 154 ? 0.5679 0.6557 0.7315 0.0353 0.0380 -0.0061 846 LYS A CG \n1157 C CD . LYS A 154 ? 0.6311 0.7286 0.8073 0.0323 0.0381 -0.0042 846 LYS A CD \n1158 C CE . LYS A 154 ? 0.8648 0.9683 1.0532 0.0337 0.0340 -0.0040 846 LYS A CE \n1159 N NZ . LYS A 154 ? 0.6703 0.7794 0.8681 0.0386 0.0380 -0.0046 846 LYS A NZ \n1160 N N . THR A 155 ? 0.3995 0.4706 0.5335 0.0348 0.0499 -0.0068 847 THR A N \n1161 C CA . THR A 155 ? 0.4406 0.5088 0.5687 0.0366 0.0571 -0.0072 847 THR A CA \n1162 C C . THR A 155 ? 0.5646 0.6256 0.6811 0.0326 0.0570 -0.0064 847 THR A C \n1163 O O . THR A 155 ? 0.5342 0.5963 0.6518 0.0287 0.0525 -0.0053 847 THR A O \n1164 C CB . THR A 155 ? 0.4591 0.5379 0.5997 0.0372 0.0634 -0.0063 847 THR A CB \n1165 O OG1 . THR A 155 ? 0.4338 0.5175 0.5788 0.0320 0.0631 -0.0041 847 THR A OG1 \n1166 C CG2 . THR A 155 ? 0.5178 0.6057 0.6732 0.0406 0.0622 -0.0068 847 THR A CG2 \n1167 N N . PRO A 156 ? 0.5518 0.6051 0.6568 0.0338 0.0617 -0.0069 848 PRO A N \n1168 C CA . PRO A 156 ? 0.5172 0.5631 0.6111 0.0299 0.0613 -0.0059 848 PRO A CA \n1169 C C . PRO A 156 ? 0.5173 0.5702 0.6187 0.0253 0.0609 -0.0039 848 PRO A C \n1170 O O . PRO A 156 ? 0.5339 0.5819 0.6290 0.0218 0.0575 -0.0031 848 PRO A O \n1171 C CB . PRO A 156 ? 0.5562 0.5957 0.6402 0.0320 0.0684 -0.0066 848 PRO A CB \n1172 C CG . PRO A 156 ? 0.6456 0.6839 0.7296 0.0377 0.0702 -0.0087 848 PRO A CG \n1173 C CD . PRO A 156 ? 0.6294 0.6780 0.7288 0.0389 0.0666 -0.0088 848 PRO A CD \n1174 N N . GLN A 157 ? 0.4885 0.5522 0.6033 0.0253 0.0640 -0.0030 849 GLN A N \n1175 C CA . GLN A 157 ? 0.4706 0.5402 0.5921 0.0207 0.0632 -0.0009 849 GLN A CA \n1176 C C . GLN A 157 ? 0.4699 0.5470 0.6032 0.0194 0.0572 -0.0004 849 GLN A C \n1177 O O . GLN A 157 ? 0.5003 0.5829 0.6406 0.0160 0.0563 0.0012 849 GLN A O \n1178 C CB . GLN A 157 ? 0.6706 0.7463 0.7977 0.0200 0.0707 0.0004 849 GLN A CB \n1179 C CG . GLN A 157 ? 0.7676 0.8513 0.9050 0.0242 0.0758 -0.0003 849 GLN A CG \n1180 C CD . GLN A 157 ? 0.7219 0.7984 0.8491 0.0288 0.0809 -0.0023 849 GLN A CD \n1181 O OE1 . GLN A 157 ? 0.7378 0.8149 0.8677 0.0335 0.0804 -0.0042 849 GLN A OE1 \n1182 N NE2 . GLN A 157 ? 0.7377 0.8063 0.8521 0.0274 0.0855 -0.0020 849 GLN A NE2 \n1183 N N . HIS A 158 ? 0.4787 0.5549 0.6128 0.0218 0.0529 -0.0018 850 HIS A N \n1184 C CA . HIS A 158 ? 0.3820 0.4638 0.5254 0.0208 0.0472 -0.0015 850 HIS A CA \n1185 C C . HIS A 158 ? 0.3816 0.4571 0.5181 0.0215 0.0417 -0.0029 850 HIS A C \n1186 O O . HIS A 158 ? 0.4160 0.4887 0.5502 0.0249 0.0414 -0.0043 850 HIS A O \n1187 C CB . HIS A 158 ? 0.5193 0.6100 0.6759 0.0233 0.0486 -0.0014 850 HIS A CB \n1188 C CG . HIS A 158 ? 0.6223 0.7185 0.7886 0.0217 0.0430 -0.0008 850 HIS A CG \n1189 N ND1 . HIS A 158 ? 0.7603 0.8659 0.9405 0.0217 0.0435 0.0003 850 HIS A ND1 \n1190 C CD2 . HIS A 158 ? 0.5044 0.5978 0.6681 0.0200 0.0368 -0.0011 850 HIS A CD2 \n1191 C CE1 . HIS A 158 ? 0.6793 0.7865 0.8640 0.0201 0.0374 0.0006 850 HIS A CE1 \n1192 N NE2 . HIS A 158 ? 0.5429 0.6428 0.7175 0.0191 0.0336 -0.0003 850 HIS A NE2 \n1193 N N . VAL A 159 ? 0.3189 0.3921 0.4522 0.0183 0.0373 -0.0026 851 VAL A N \n1194 C CA . VAL A 159 ? 0.2849 0.3532 0.4125 0.0183 0.0323 -0.0037 851 VAL A CA \n1195 C C . VAL A 159 ? 0.3025 0.3753 0.4369 0.0164 0.0276 -0.0034 851 VAL A C \n1196 O O . VAL A 159 ? 0.3993 0.4774 0.5408 0.0145 0.0274 -0.0024 851 VAL A O \n1197 C CB . VAL A 159 ? 0.2840 0.3445 0.4004 0.0166 0.0311 -0.0038 851 VAL A CB \n1198 C CG1 . VAL A 159 ? 0.3096 0.3638 0.4174 0.0184 0.0353 -0.0041 851 VAL A CG1 \n1199 C CG2 . VAL A 159 ? 0.3150 0.3771 0.4328 0.0132 0.0301 -0.0028 851 VAL A CG2 \n1200 N N . LYS A 160 ? 0.2576 0.3277 0.3893 0.0169 0.0238 -0.0043 852 LYS A N \n1201 C CA . LYS A 160 ? 0.3099 0.3830 0.4465 0.0153 0.0195 -0.0043 852 LYS A CA \n1202 C C . LYS A 160 ? 0.3318 0.4003 0.4614 0.0136 0.0160 -0.0050 852 LYS A C \n1203 O O . LYS A 160 ? 0.3538 0.4169 0.4761 0.0146 0.0157 -0.0056 852 LYS A O \n1204 C CB . LYS A 160 ? 0.3028 0.3780 0.4449 0.0178 0.0184 -0.0046 852 LYS A CB \n1205 C CG . LYS A 160 ? 0.3747 0.4558 0.5258 0.0199 0.0219 -0.0039 852 LYS A CG \n1206 C CD . LYS A 160 ? 0.4201 0.5032 0.5773 0.0226 0.0199 -0.0044 852 LYS A CD \n1207 C CE . LYS A 160 ? 0.4913 0.5779 0.6553 0.0205 0.0152 -0.0036 852 LYS A CE \n1208 N NZ . LYS A 160 ? 0.5999 0.6891 0.7716 0.0232 0.0131 -0.0037 852 LYS A NZ \n1209 N N . ILE A 161 ? 0.2815 0.3522 0.4134 0.0112 0.0132 -0.0049 853 ILE A N \n1210 C CA . ILE A 161 ? 0.3166 0.3845 0.4432 0.0093 0.0104 -0.0056 853 ILE A CA \n1211 C C . ILE A 161 ? 0.3359 0.4024 0.4618 0.0093 0.0075 -0.0060 853 ILE A C \n1212 O O . ILE A 161 ? 0.3347 0.4037 0.4659 0.0100 0.0064 -0.0057 853 ILE A O \n1213 C CB . ILE A 161 ? 0.2598 0.3303 0.3886 0.0068 0.0093 -0.0056 853 ILE A CB \n1214 C CG1 . ILE A 161 ? 0.2723 0.3431 0.4012 0.0066 0.0115 -0.0051 853 ILE A CG1 \n1215 C CG2 . ILE A 161 ? 0.3457 0.4144 0.4703 0.0050 0.0071 -0.0064 853 ILE A CG2 \n1216 C CD1 . ILE A 161 ? 0.3945 0.4682 0.5275 0.0049 0.0106 -0.0049 853 ILE A CD1 \n1217 N N . THR A 162 ? 0.2592 0.3215 0.3785 0.0085 0.0059 -0.0064 854 THR A N \n1218 C CA . THR A 162 ? 0.2861 0.3459 0.4029 0.0078 0.0029 -0.0067 854 THR A CA \n1219 C C . THR A 162 ? 0.2984 0.3569 0.4106 0.0046 0.0013 -0.0069 854 THR A C \n1220 O O . THR A 162 ? 0.3447 0.4046 0.4566 0.0035 0.0024 -0.0070 854 THR A O \n1221 C CB . THR A 162 ? 0.2564 0.3112 0.3691 0.0103 0.0025 -0.0068 854 THR A CB \n1222 O OG1 . THR A 162 ? 0.2685 0.3207 0.3796 0.0098 -0.0009 -0.0069 854 THR A OG1 \n1223 C CG2 . THR A 162 ? 0.3036 0.3532 0.4084 0.0099 0.0027 -0.0070 854 THR A CG2 \n1224 N N . ASP A 163 ? 0.2771 0.3330 0.3861 0.0031 -0.0013 -0.0070 855 ASP A N \n1225 C CA . ASP A 163 ? 0.3725 0.4269 0.4764 -0.0001 -0.0025 -0.0071 855 ASP A CA \n1226 C C . ASP A 163 ? 0.2956 0.3544 0.4023 -0.0023 -0.0017 -0.0076 855 ASP A C \n1227 O O . ASP A 163 ? 0.4732 0.5325 0.5774 -0.0047 -0.0016 -0.0078 855 ASP A O \n1228 C CB . ASP A 163 ? 0.3851 0.4371 0.4849 -0.0004 -0.0020 -0.0069 855 ASP A CB \n1229 C CG . ASP A 163 ? 0.5026 0.5505 0.5959 -0.0032 -0.0042 -0.0066 855 ASP A CG \n1230 O OD1 . ASP A 163 ? 0.4714 0.5158 0.5615 -0.0038 -0.0064 -0.0064 855 ASP A OD1 \n1231 O OD2 . ASP A 163 ? 0.4940 0.5419 0.5854 -0.0050 -0.0042 -0.0063 855 ASP A OD2 \n1232 N N . PHE A 164 ? 0.3455 0.4071 0.4571 -0.0013 -0.0013 -0.0077 856 PHE A N \n1233 C CA . PHE A 164 ? 0.2923 0.3570 0.4059 -0.0028 -0.0007 -0.0084 856 PHE A CA \n1234 C C . PHE A 164 ? 0.4270 0.4895 0.5366 -0.0052 -0.0024 -0.0087 856 PHE A C \n1235 O O . PHE A 164 ? 0.3875 0.4466 0.4953 -0.0052 -0.0047 -0.0082 856 PHE A O \n1236 C CB . PHE A 164 ? 0.3394 0.4067 0.4588 -0.0013 -0.0003 -0.0082 856 PHE A CB \n1237 C CG . PHE A 164 ? 0.4110 0.4775 0.5332 0.0000 -0.0018 -0.0074 856 PHE A CG \n1238 C CD1 . PHE A 164 ? 0.4347 0.5018 0.5598 0.0025 -0.0007 -0.0068 856 PHE A CD1 \n1239 C CD2 . PHE A 164 ? 0.3824 0.4474 0.5044 -0.0009 -0.0044 -0.0074 856 PHE A CD2 \n1240 C CE1 . PHE A 164 ? 0.3572 0.4246 0.4864 0.0041 -0.0019 -0.0062 856 PHE A CE1 \n1241 C CE2 . PHE A 164 ? 0.4610 0.5256 0.5868 0.0004 -0.0064 -0.0066 856 PHE A CE2 \n1242 C CZ . PHE A 164 ? 0.3281 0.3944 0.4581 0.0031 -0.0051 -0.0061 856 PHE A CZ \n1243 N N . GLY A 165 ? 0.3466 0.4107 0.4547 -0.0073 -0.0012 -0.0095 857 GLY A N \n1244 C CA . GLY A 165 ? 0.3407 0.4025 0.4441 -0.0098 -0.0020 -0.0099 857 GLY A CA \n1245 C C . GLY A 165 ? 0.3942 0.4527 0.4913 -0.0124 -0.0028 -0.0095 857 GLY A C \n1246 O O . GLY A 165 ? 0.4113 0.4668 0.5031 -0.0149 -0.0034 -0.0096 857 GLY A O \n1247 N N . LEU A 166 ? 0.4096 0.4675 0.5061 -0.0121 -0.0030 -0.0088 858 LEU A N \n1248 C CA . LEU A 166 ? 0.3812 0.4352 0.4713 -0.0148 -0.0043 -0.0081 858 LEU A CA \n1249 C C . LEU A 166 ? 0.4139 0.4714 0.5031 -0.0180 -0.0019 -0.0085 858 LEU A C \n1250 O O . LEU A 166 ? 0.4059 0.4608 0.4894 -0.0215 -0.0022 -0.0081 858 LEU A O \n1251 C CB . LEU A 166 ? 0.4737 0.5250 0.5629 -0.0133 -0.0056 -0.0072 858 LEU A CB \n1252 C CG . LEU A 166 ? 0.5130 0.5574 0.5949 -0.0149 -0.0085 -0.0063 858 LEU A CG \n1253 C CD1 . LEU A 166 ? 0.5555 0.5952 0.6346 -0.0145 -0.0113 -0.0061 858 LEU A CD1 \n1254 C CD2 . LEU A 166 ? 0.4102 0.4521 0.4917 -0.0124 -0.0094 -0.0058 858 LEU A CD2 \n1255 N N . ALA A 167 ? 0.3981 0.4613 0.4931 -0.0169 0.0003 -0.0091 859 ALA A N \n1256 C CA . ALA A 167 ? 0.4244 0.4923 0.5207 -0.0193 0.0027 -0.0097 859 ALA A CA \n1257 C C . ALA A 167 ? 0.4541 0.5224 0.5478 -0.0211 0.0045 -0.0107 859 ALA A C \n1258 O O . ALA A 167 ? 0.4212 0.4910 0.5125 -0.0244 0.0063 -0.0108 859 ALA A O \n1259 C CB . ALA A 167 ? 0.3835 0.4571 0.4870 -0.0172 0.0042 -0.0104 859 ALA A CB \n1260 N N . LYS A 168 ? 0.3944 0.4610 0.4883 -0.0191 0.0040 -0.0115 860 LYS A N \n1261 C CA . LYS A 168 ? 0.4631 0.5280 0.5527 -0.0207 0.0051 -0.0125 860 LYS A CA \n1262 C C . LYS A 168 ? 0.4276 0.4859 0.5084 -0.0240 0.0032 -0.0114 860 LYS A C \n1263 O O . LYS A 168 ? 0.5035 0.5608 0.5790 -0.0272 0.0051 -0.0118 860 LYS A O \n1264 C CB . LYS A 168 ? 0.5459 0.6094 0.6373 -0.0180 0.0041 -0.0132 860 LYS A CB \n1265 C CG . LYS A 168 ? 0.6211 0.6798 0.7055 -0.0198 0.0039 -0.0140 860 LYS A CG \n1266 C CD . LYS A 168 ? 0.6370 0.6961 0.7238 -0.0176 0.0042 -0.0153 860 LYS A CD \n1267 C CE . LYS A 168 ? 0.7906 0.8452 0.8695 -0.0195 0.0052 -0.0165 860 LYS A CE \n1268 N NZ . LYS A 168 ? 0.8792 0.9347 0.9600 -0.0173 0.0064 -0.0183 860 LYS A NZ \n1269 N N . LEU A 169 ? 0.4018 0.4553 0.4810 -0.0231 -0.0004 -0.0102 861 LEU A N \n1270 C CA . LEU A 169 ? 0.4997 0.5455 0.5702 -0.0258 -0.0033 -0.0092 861 LEU A CA \n1271 C C . LEU A 169 ? 0.5116 0.5569 0.5769 -0.0301 -0.0020 -0.0084 861 LEU A C \n1272 O O . LEU A 169 ? 0.5070 0.5471 0.5639 -0.0338 -0.0026 -0.0080 861 LEU A O \n1273 C CB . LEU A 169 ? 0.5362 0.5777 0.6073 -0.0234 -0.0075 -0.0081 861 LEU A CB \n1274 C CG . LEU A 169 ? 0.7381 0.7708 0.8009 -0.0253 -0.0117 -0.0070 861 LEU A CG \n1275 C CD1 . LEU A 169 ? 0.9177 0.9452 0.9743 -0.0274 -0.0130 -0.0073 861 LEU A CD1 \n1276 C CD2 . LEU A 169 ? 0.5587 0.5890 0.6249 -0.0215 -0.0151 -0.0064 861 LEU A CD2 \n1277 N N . LEU A 170 ? 0.5120 0.5625 0.5823 -0.0299 -0.0005 -0.0081 862 LEU A N \n1278 C CA . LEU A 170 ? 0.5600 0.6107 0.6268 -0.0341 0.0000 -0.0070 862 LEU A CA \n1279 C C . LEU A 170 ? 0.5690 0.6265 0.6378 -0.0368 0.0048 -0.0079 862 LEU A C \n1280 O O . LEU A 170 ? 0.5828 0.6420 0.6501 -0.0408 0.0059 -0.0069 862 LEU A O \n1281 C CB . LEU A 170 ? 0.5311 0.5827 0.6014 -0.0327 -0.0016 -0.0060 862 LEU A CB \n1282 C CG . LEU A 170 ? 0.5454 0.5893 0.6117 -0.0309 -0.0062 -0.0050 862 LEU A CG \n1283 C CD1 . LEU A 170 ? 0.5737 0.6185 0.6432 -0.0291 -0.0070 -0.0044 862 LEU A CD1 \n1284 C CD2 . LEU A 170 ? 0.5706 0.6061 0.6267 -0.0348 -0.0091 -0.0037 862 LEU A CD2 \n1285 N N . GLY A 171 ? 0.5806 0.6421 0.6532 -0.0347 0.0077 -0.0097 863 GLY A N \n1286 C CA . GLY A 171 ? 0.5244 0.5922 0.5990 -0.0365 0.0127 -0.0110 863 GLY A CA \n1287 C C . GLY A 171 ? 0.4499 0.5273 0.5347 -0.0354 0.0152 -0.0115 863 GLY A C \n1288 O O . GLY A 171 ? 0.5782 0.6617 0.6654 -0.0377 0.0192 -0.0121 863 GLY A O \n1289 N N . ALA A 172 ? 0.4607 0.5396 0.5517 -0.0318 0.0129 -0.0113 864 ALA A N \n1290 C CA . ALA A 172 ? 0.4768 0.5635 0.5771 -0.0306 0.0140 -0.0116 864 ALA A CA \n1291 C C . ALA A 172 ? 0.4245 0.5179 0.5314 -0.0280 0.0177 -0.0139 864 ALA A C \n1292 O O . ALA A 172 ? 0.4703 0.5705 0.5856 -0.0268 0.0185 -0.0144 864 ALA A O \n1293 C CB . ALA A 172 ? 0.4623 0.5470 0.5654 -0.0278 0.0105 -0.0106 864 ALA A CB \n1294 N N . GLU A 173 ? 0.4016 0.4925 0.5046 -0.0270 0.0192 -0.0154 865 GLU A N \n1295 C CA . GLU A 173 ? 0.4931 0.5890 0.6008 -0.0245 0.0228 -0.0180 865 GLU A CA \n1296 C C . GLU A 173 ? 0.5388 0.6389 0.6452 -0.0276 0.0278 -0.0190 865 GLU A C \n1297 O O . GLU A 173 ? 0.4377 0.5427 0.5481 -0.0255 0.0314 -0.0213 865 GLU A O \n1298 C CB . GLU A 173 ? 0.4546 0.5449 0.5583 -0.0217 0.0217 -0.0192 865 GLU A CB \n1299 C CG . GLU A 173 ? 0.6108 0.6977 0.7164 -0.0188 0.0175 -0.0182 865 GLU A CG \n1300 C CD . GLU A 173 ? 0.7760 0.8593 0.8803 -0.0160 0.0166 -0.0194 865 GLU A CD \n1301 O OE1 . GLU A 173 ? 0.6465 0.7296 0.7549 -0.0133 0.0143 -0.0191 865 GLU A OE1 \n1302 O OE2 . GLU A 173 ? 0.7467 0.8270 0.8454 -0.0168 0.0182 -0.0207 865 GLU A OE2 \n1303 N N . GLU A 174 ? 0.5312 0.6292 0.6318 -0.0324 0.0280 -0.0172 866 GLU A N \n1304 C CA . GLU A 174 ? 0.5210 0.6227 0.6192 -0.0363 0.0330 -0.0177 866 GLU A CA \n1305 C C . GLU A 174 ? 0.4482 0.5565 0.5523 -0.0398 0.0334 -0.0159 866 GLU A C \n1306 O O . GLU A 174 ? 0.4220 0.5289 0.5283 -0.0398 0.0290 -0.0140 866 GLU A O \n1307 C CB . GLU A 174 ? 0.5265 0.6187 0.6110 -0.0401 0.0329 -0.0170 866 GLU A CB \n1308 C CG . GLU A 174 ? 0.6357 0.7215 0.7136 -0.0376 0.0332 -0.0190 866 GLU A CG \n1309 C CD . GLU A 174 ? 0.8191 0.8985 0.8963 -0.0341 0.0276 -0.0184 866 GLU A CD \n1310 O OE1 . GLU A 174 ? 0.9575 1.0343 1.0336 -0.0310 0.0274 -0.0201 866 GLU A OE1 \n1311 O OE2 . GLU A 174 ? 0.8109 0.8879 0.8886 -0.0345 0.0233 -0.0163 866 GLU A OE2 \n1312 N N . LYS A 175 ? 0.3976 0.5130 0.5043 -0.0428 0.0387 -0.0165 867 LYS A N \n1313 C CA . LYS A 175 ? 0.5223 0.6461 0.6372 -0.0460 0.0394 -0.0148 867 LYS A CA \n1314 C C . LYS A 175 ? 0.4677 0.5855 0.5746 -0.0519 0.0363 -0.0116 867 LYS A C \n1315 O O . LYS A 175 ? 0.4393 0.5603 0.5516 -0.0540 0.0336 -0.0095 867 LYS A O \n1316 C CB . LYS A 175 ? 0.3908 0.5254 0.5125 -0.0473 0.0467 -0.0165 867 LYS A CB \n1317 C CG . LYS A 175 ? 0.4489 0.5804 0.5599 -0.0517 0.0519 -0.0169 867 LYS A CG \n1318 C CD . LYS A 175 ? 0.4183 0.5576 0.5339 -0.0494 0.0595 -0.0202 867 LYS A CD \n1319 C CE . LYS A 175 ? 0.4244 0.5564 0.5256 -0.0523 0.0640 -0.0212 867 LYS A CE \n1320 N NZ . LYS A 175 ? 0.4857 0.6032 0.5734 -0.0511 0.0591 -0.0210 867 LYS A NZ \n1321 N N . GLU A 176 ? 0.4400 0.5481 0.5337 -0.0545 0.0360 -0.0111 868 GLU A N \n1322 C CA . GLU A 176 ? 0.5289 0.6301 0.6131 -0.0605 0.0334 -0.0082 868 GLU A CA \n1323 C C . GLU A 176 ? 0.5488 0.6451 0.6333 -0.0598 0.0264 -0.0060 868 GLU A C \n1324 O O . GLU A 176 ? 0.4754 0.5723 0.5600 -0.0642 0.0246 -0.0036 868 GLU A O \n1325 C CB . GLU A 176 ? 0.6021 0.6923 0.6715 -0.0625 0.0335 -0.0084 868 GLU A CB \n1326 C CG . GLU A 176 ? 0.6207 0.7137 0.6858 -0.0658 0.0405 -0.0096 868 GLU A CG \n1327 C CD . GLU A 176 ? 0.6491 0.7473 0.7193 -0.0607 0.0453 -0.0132 868 GLU A CD \n1328 O OE1 . GLU A 176 ? 0.4811 0.5775 0.5545 -0.0549 0.0423 -0.0146 868 GLU A OE1 \n1329 O OE2 . GLU A 176 ? 0.5551 0.6590 0.6257 -0.0626 0.0522 -0.0146 868 GLU A OE2 \n1330 N N . TYR A 177 ? 0.5147 0.6061 0.5991 -0.0544 0.0228 -0.0069 869 TYR A N \n1331 C CA . TYR A 177 ? 0.5059 0.5931 0.5913 -0.0525 0.0169 -0.0054 869 TYR A CA \n1332 C C . TYR A 177 ? 0.5519 0.6465 0.6467 -0.0535 0.0162 -0.0042 869 TYR A C \n1333 O O . TYR A 177 ? 0.5002 0.5905 0.5919 -0.0560 0.0122 -0.0020 869 TYR A O \n1334 C CB . TYR A 177 ? 0.5505 0.6351 0.6380 -0.0460 0.0150 -0.0069 869 TYR A CB \n1335 C CG . TYR A 177 ? 0.4925 0.5731 0.5810 -0.0435 0.0100 -0.0058 869 TYR A CG \n1336 C CD1 . TYR A 177 ? 0.4194 0.5054 0.5170 -0.0402 0.0096 -0.0062 869 TYR A CD1 \n1337 C CD2 . TYR A 177 ? 0.5127 0.5835 0.5924 -0.0444 0.0057 -0.0042 869 TYR A CD2 \n1338 C CE1 . TYR A 177 ? 0.4150 0.4964 0.5121 -0.0380 0.0054 -0.0052 869 TYR A CE1 \n1339 C CE2 . TYR A 177 ? 0.4952 0.5620 0.5751 -0.0418 0.0017 -0.0034 869 TYR A CE2 \n1340 C CZ . TYR A 177 ? 0.4832 0.5552 0.5715 -0.0387 0.0018 -0.0039 869 TYR A CZ \n1341 O OH . TYR A 177 ? 0.4906 0.5578 0.5779 -0.0363 -0.0016 -0.0031 869 TYR A OH \n1342 N N . HIS A 178 ? 0.4673 0.5724 0.5732 -0.0515 0.0198 -0.0058 870 HIS A N \n1343 C CA . HIS A 178 ? 0.4297 0.5423 0.5461 -0.0519 0.0186 -0.0049 870 HIS A CA \n1344 C C . HIS A 178 ? 0.5297 0.6474 0.6476 -0.0586 0.0202 -0.0029 870 HIS A C \n1345 O O . HIS A 178 ? 0.4814 0.6004 0.6030 -0.0610 0.0168 -0.0008 870 HIS A O \n1346 C CB . HIS A 178 ? 0.4690 0.5906 0.5970 -0.0470 0.0213 -0.0074 870 HIS A CB \n1347 C CG . HIS A 178 ? 0.4917 0.6084 0.6187 -0.0410 0.0192 -0.0089 870 HIS A CG \n1348 N ND1 . HIS A 178 ? 0.5360 0.6488 0.6577 -0.0384 0.0211 -0.0107 870 HIS A ND1 \n1349 C CD2 . HIS A 178 ? 0.4446 0.5593 0.5748 -0.0374 0.0152 -0.0087 870 HIS A CD2 \n1350 C CE1 . HIS A 178 ? 0.4307 0.5401 0.5533 -0.0337 0.0184 -0.0114 870 HIS A CE1 \n1351 N NE2 . HIS A 178 ? 0.6096 0.7200 0.7370 -0.0330 0.0151 -0.0103 870 HIS A NE2 \n1352 N N . ALA A 179 ? 0.5363 0.6565 0.6510 -0.0618 0.0254 -0.0035 871 ALA A N \n1353 C CA . ALA A 179 ? 0.5903 0.7151 0.7053 -0.0690 0.0277 -0.0014 871 ALA A CA \n1354 C C . ALA A 179 ? 0.6575 0.7714 0.7610 -0.0740 0.0225 0.0016 871 ALA A C \n1355 O O . ALA A 179 ? 0.5472 0.6637 0.6523 -0.0797 0.0215 0.0042 871 ALA A O \n1356 C CB . ALA A 179 ? 0.5564 0.6851 0.6688 -0.0712 0.0351 -0.0030 871 ALA A CB \n1357 N N . GLU A 180 ? 0.5940 0.6957 0.6862 -0.0718 0.0189 0.0015 872 GLU A N \n1358 C CA . GLU A 180 ? 0.6530 0.7428 0.7330 -0.0756 0.0136 0.0041 872 GLU A CA \n1359 C C . GLU A 180 ? 0.6943 0.7789 0.7750 -0.0733 0.0070 0.0054 872 GLU A C \n1360 O O . GLU A 180 ? 0.7354 0.8086 0.8057 -0.0743 0.0021 0.0068 872 GLU A O \n1361 C CB . GLU A 180 ? 0.8126 0.8916 0.8800 -0.0745 0.0130 0.0032 872 GLU A CB \n1362 C CG . GLU A 180 ? 0.9310 1.0104 0.9920 -0.0792 0.0181 0.0030 872 GLU A CG \n1363 C CD . GLU A 180 ? 1.1978 1.2687 1.2495 -0.0764 0.0181 0.0013 872 GLU A CD \n1364 O OE1 . GLU A 180 ? 1.2640 1.3250 1.3096 -0.0736 0.0125 0.0016 872 GLU A OE1 \n1365 O OE2 . GLU A 180 ? 1.1870 1.2609 1.2374 -0.0770 0.0236 -0.0003 872 GLU A OE2 \n1366 N N . GLY A 181 ? 0.6818 0.7741 0.7741 -0.0701 0.0068 0.0047 873 GLY A N \n1367 C CA . GLY A 181 ? 0.6288 0.7164 0.7216 -0.0683 0.0009 0.0060 873 GLY A CA \n1368 C C . GLY A 181 ? 0.5118 0.5940 0.6035 -0.0611 -0.0012 0.0042 873 GLY A C \n1369 O O . GLY A 181 ? 0.5353 0.6130 0.6267 -0.0591 -0.0055 0.0050 873 GLY A O \n1370 N N . GLY A 182 ? 0.4618 0.5441 0.5526 -0.0574 0.0018 0.0020 874 GLY A N \n1371 C CA . GLY A 182 ? 0.5354 0.6132 0.6255 -0.0509 0.0002 0.0005 874 GLY A CA \n1372 C C . GLY A 182 ? 0.5326 0.6163 0.6326 -0.0470 0.0001 -0.0003 874 GLY A C \n1373 O O . GLY A 182 ? 0.4218 0.5153 0.5312 -0.0477 0.0028 -0.0009 874 GLY A O \n1374 N N . LYS A 183 ? 0.4603 0.5380 0.5582 -0.0429 -0.0030 -0.0005 875 LYS A N \n1375 C CA . LYS A 183 ? 0.5038 0.5852 0.6093 -0.0393 -0.0037 -0.0012 875 LYS A CA \n1376 C C . LYS A 183 ? 0.5168 0.5968 0.6228 -0.0338 -0.0025 -0.0031 875 LYS A C \n1377 O O . LYS A 183 ? 0.4771 0.5517 0.5770 -0.0324 -0.0023 -0.0035 875 LYS A O \n1378 C CB . LYS A 183 ? 0.6708 0.7458 0.7730 -0.0398 -0.0086 0.0005 875 LYS A CB \n1379 C CG . LYS A 183 ? 0.7606 0.8365 0.8626 -0.0457 -0.0107 0.0028 875 LYS A CG \n1380 C CD . LYS A 183 ? 0.7992 0.8849 0.9128 -0.0468 -0.0105 0.0030 875 LYS A CD \n1381 C CE . LYS A 183 ? 0.8655 0.9518 0.9792 -0.0530 -0.0133 0.0056 875 LYS A CE \n1382 N NZ . LYS A 183 ? 0.8241 0.9172 0.9483 -0.0537 -0.0153 0.0063 875 LYS A NZ \n1383 N N . VAL A 184 ? 0.4556 0.5405 0.5692 -0.0308 -0.0019 -0.0041 876 VAL A N \n1384 C CA . VAL A 184 ? 0.4440 0.5281 0.5589 -0.0259 -0.0009 -0.0057 876 VAL A CA \n1385 C C . VAL A 184 ? 0.3896 0.4716 0.5065 -0.0234 -0.0035 -0.0053 876 VAL A C \n1386 O O . VAL A 184 ? 0.4569 0.5402 0.5764 -0.0253 -0.0058 -0.0043 876 VAL A O \n1387 C CB . VAL A 184 ? 0.3765 0.4680 0.4978 -0.0245 0.0028 -0.0077 876 VAL A CB \n1388 C CG1 . VAL A 184 ? 0.4138 0.5039 0.5300 -0.0259 0.0051 -0.0083 876 VAL A CG1 \n1389 C CG2 . VAL A 184 ? 0.4331 0.5334 0.5629 -0.0264 0.0042 -0.0080 876 VAL A CG2 \n1390 N N . PRO A 185 ? 0.3997 0.4778 0.5147 -0.0196 -0.0035 -0.0060 877 PRO A N \n1391 C CA . PRO A 185 ? 0.3479 0.4220 0.4622 -0.0175 -0.0059 -0.0056 877 PRO A CA \n1392 C C . PRO A 185 ? 0.3583 0.4380 0.4807 -0.0162 -0.0060 -0.0064 877 PRO A C \n1393 O O . PRO A 185 ? 0.3013 0.3809 0.4253 -0.0132 -0.0051 -0.0074 877 PRO A O \n1394 C CB . PRO A 185 ? 0.3924 0.4613 0.5022 -0.0142 -0.0049 -0.0060 877 PRO A CB \n1395 C CG . PRO A 185 ? 0.3646 0.4377 0.4770 -0.0138 -0.0021 -0.0072 877 PRO A CG \n1396 C CD . PRO A 185 ? 0.4643 0.5410 0.5772 -0.0174 -0.0015 -0.0070 877 PRO A CD \n1397 N N . ILE A 186 ? 0.2826 0.3670 0.4102 -0.0186 -0.0073 -0.0059 878 ILE A N \n1398 C CA . ILE A 186 ? 0.3351 0.4260 0.4719 -0.0173 -0.0074 -0.0070 878 ILE A CA \n1399 C C . ILE A 186 ? 0.2910 0.3776 0.4274 -0.0141 -0.0096 -0.0072 878 ILE A C \n1400 O O . ILE A 186 ? 0.2894 0.3799 0.4316 -0.0117 -0.0089 -0.0086 878 ILE A O \n1401 C CB . ILE A 186 ? 0.3264 0.4229 0.4697 -0.0205 -0.0093 -0.0060 878 ILE A CB \n1402 C CG1 . ILE A 186 ? 0.3768 0.4798 0.5224 -0.0237 -0.0060 -0.0061 878 ILE A CG1 \n1403 C CG2 . ILE A 186 ? 0.3291 0.4311 0.4820 -0.0184 -0.0106 -0.0070 878 ILE A CG2 \n1404 C CD1 . ILE A 186 ? 0.4177 0.5295 0.5707 -0.0222 -0.0015 -0.0084 878 ILE A CD1 \n1405 N N . LYS A 187 ? 0.3059 0.3839 0.4348 -0.0142 -0.0125 -0.0058 879 LYS A N \n1406 C CA . LYS A 187 ? 0.2655 0.3382 0.3926 -0.0119 -0.0149 -0.0057 879 LYS A CA \n1407 C C . LYS A 187 ? 0.2496 0.3199 0.3741 -0.0089 -0.0122 -0.0067 879 LYS A C \n1408 O O . LYS A 187 ? 0.3014 0.3677 0.4244 -0.0071 -0.0136 -0.0067 879 LYS A O \n1409 C CB . LYS A 187 ? 0.3044 0.3677 0.4233 -0.0132 -0.0187 -0.0039 879 LYS A CB \n1410 C CG . LYS A 187 ? 0.4207 0.4863 0.5439 -0.0162 -0.0228 -0.0027 879 LYS A CG \n1411 C CD . LYS A 187 ? 0.4529 0.5080 0.5661 -0.0180 -0.0266 -0.0008 879 LYS A CD \n1412 C CE . LYS A 187 ? 0.3576 0.4147 0.4755 -0.0214 -0.0314 0.0006 879 LYS A CE \n1413 N NZ . LYS A 187 ? 0.3886 0.4340 0.4956 -0.0232 -0.0359 0.0025 879 LYS A NZ \n1414 N N . TRP A 188 ? 0.2492 0.3218 0.3731 -0.0086 -0.0088 -0.0074 880 TRP A N \n1415 C CA . TRP A 188 ? 0.3357 0.4076 0.4588 -0.0061 -0.0063 -0.0082 880 TRP A CA \n1416 C C . TRP A 188 ? 0.3177 0.3968 0.4477 -0.0053 -0.0042 -0.0099 880 TRP A C \n1417 O O . TRP A 188 ? 0.3613 0.4399 0.4913 -0.0035 -0.0028 -0.0107 880 TRP A O \n1418 C CB . TRP A 188 ? 0.2820 0.3500 0.3989 -0.0061 -0.0046 -0.0077 880 TRP A CB \n1419 C CG . TRP A 188 ? 0.3075 0.3672 0.4168 -0.0054 -0.0058 -0.0066 880 TRP A CG \n1420 C CD1 . TRP A 188 ? 0.3092 0.3646 0.4150 -0.0034 -0.0046 -0.0064 880 TRP A CD1 \n1421 C CD2 . TRP A 188 ? 0.3521 0.4065 0.4560 -0.0070 -0.0084 -0.0054 880 TRP A CD2 \n1422 N NE1 . TRP A 188 ? 0.3136 0.3612 0.4117 -0.0033 -0.0058 -0.0054 880 TRP A NE1 \n1423 C CE2 . TRP A 188 ? 0.3401 0.3865 0.4365 -0.0054 -0.0084 -0.0048 880 TRP A CE2 \n1424 C CE3 . TRP A 188 ? 0.3467 0.4023 0.4511 -0.0098 -0.0106 -0.0047 880 TRP A CE3 \n1425 C CZ2 . TRP A 188 ? 0.3533 0.3916 0.4417 -0.0062 -0.0108 -0.0038 880 TRP A CZ2 \n1426 C CZ3 . TRP A 188 ? 0.3428 0.3906 0.4398 -0.0110 -0.0136 -0.0034 880 TRP A CZ3 \n1427 C CH2 . TRP A 188 ? 0.2822 0.3212 0.3710 -0.0090 -0.0138 -0.0031 880 TRP A CH2 \n1428 N N . MET A 189 ? 0.2739 0.3593 0.4094 -0.0067 -0.0040 -0.0106 881 MET A N \n1429 C CA . MET A 189 ? 0.2628 0.3543 0.4031 -0.0060 -0.0012 -0.0124 881 MET A CA \n1430 C C . MET A 189 ? 0.2804 0.3752 0.4271 -0.0037 -0.0017 -0.0139 881 MET A C \n1431 O O . MET A 189 ? 0.2816 0.3772 0.4321 -0.0034 -0.0044 -0.0136 881 MET A O \n1432 C CB . MET A 189 ? 0.2925 0.3892 0.4348 -0.0088 0.0004 -0.0125 881 MET A CB \n1433 C CG . MET A 189 ? 0.3302 0.4235 0.4656 -0.0109 0.0014 -0.0114 881 MET A CG \n1434 S SD . MET A 189 ? 0.3900 0.4880 0.5268 -0.0152 0.0023 -0.0108 881 MET A SD \n1435 C CE . MET A 189 ? 0.3248 0.4309 0.4676 -0.0146 0.0065 -0.0132 881 MET A CE \n1436 N N . ALA A 190 ? 0.2680 0.3642 0.4158 -0.0019 0.0002 -0.0155 882 ALA A N \n1437 C CA . ALA A 190 ? 0.2123 0.3113 0.3659 0.0007 -0.0003 -0.0173 882 ALA A CA \n1438 C C . ALA A 190 ? 0.2428 0.3498 0.4041 0.0002 0.0007 -0.0185 882 ALA A C \n1439 O O . ALA A 190 ? 0.2364 0.3471 0.3976 -0.0020 0.0031 -0.0183 882 ALA A O \n1440 C CB . ALA A 190 ? 0.1870 0.2851 0.3392 0.0024 0.0016 -0.0188 882 ALA A CB \n1441 N N . LEU A 191 ? 0.2775 0.3873 0.4455 0.0025 -0.0010 -0.0197 883 LEU A N \n1442 C CA . LEU A 191 ? 0.2827 0.4014 0.4599 0.0024 0.0000 -0.0209 883 LEU A CA \n1443 C C . LEU A 191 ? 0.3034 0.4277 0.4818 0.0023 0.0053 -0.0228 883 LEU A C \n1444 O O . LEU A 191 ? 0.2609 0.3916 0.4430 0.0000 0.0077 -0.0227 883 LEU A O \n1445 C CB . LEU A 191 ? 0.2667 0.3873 0.4516 0.0057 -0.0030 -0.0222 883 LEU A CB \n1446 C CG . LEU A 191 ? 0.2574 0.3879 0.4540 0.0058 -0.0027 -0.0231 883 LEU A CG \n1447 C CD1 . LEU A 191 ? 0.3202 0.4530 0.5173 0.0014 -0.0034 -0.0207 883 LEU A CD1 \n1448 C CD2 . LEU A 191 ? 0.2599 0.3904 0.4634 0.0091 -0.0073 -0.0240 883 LEU A CD2 \n1449 N N . GLU A 192 ? 0.1794 0.3005 0.3538 0.0044 0.0070 -0.0244 884 GLU A N \n1450 C CA . GLU A 192 ? 0.1909 0.3153 0.3643 0.0043 0.0118 -0.0263 884 GLU A CA \n1451 C C . GLU A 192 ? 0.2346 0.3580 0.4015 0.0001 0.0141 -0.0247 884 GLU A C \n1452 O O . GLU A 192 ? 0.2105 0.3377 0.3770 -0.0012 0.0181 -0.0258 884 GLU A O \n1453 C CB . GLU A 192 ? 0.2434 0.3636 0.4134 0.0075 0.0123 -0.0283 884 GLU A CB \n1454 C CG . GLU A 192 ? 0.2629 0.3745 0.4240 0.0066 0.0106 -0.0268 884 GLU A CG \n1455 C CD . GLU A 192 ? 0.2790 0.3854 0.4393 0.0076 0.0063 -0.0252 884 GLU A CD \n1456 O OE1 . GLU A 192 ? 0.2264 0.3342 0.3916 0.0085 0.0037 -0.0249 884 GLU A OE1 \n1457 O OE2 . GLU A 192 ? 0.2177 0.3181 0.3721 0.0071 0.0053 -0.0241 884 GLU A OE2 \n1458 N N . SER A 193 ? 0.2973 0.4149 0.4585 -0.0017 0.0115 -0.0222 885 SER A N \n1459 C CA . SER A 193 ? 0.2356 0.3513 0.3905 -0.0054 0.0127 -0.0206 885 SER A CA \n1460 C C . SER A 193 ? 0.2550 0.3762 0.4139 -0.0086 0.0131 -0.0195 885 SER A C \n1461 O O . SER A 193 ? 0.2761 0.3991 0.4325 -0.0117 0.0158 -0.0192 885 SER A O \n1462 C CB . SER A 193 ? 0.2489 0.3569 0.3974 -0.0059 0.0098 -0.0185 885 SER A CB \n1463 O OG . SER A 193 ? 0.2896 0.3934 0.4354 -0.0034 0.0093 -0.0192 885 SER A OG \n1464 N N . ILE A 194 ? 0.2248 0.3478 0.3894 -0.0081 0.0101 -0.0187 886 ILE A N \n1465 C CA . ILE A 194 ? 0.2811 0.4095 0.4510 -0.0111 0.0095 -0.0174 886 ILE A CA \n1466 C C . ILE A 194 ? 0.2770 0.4151 0.4545 -0.0114 0.0138 -0.0193 886 ILE A C \n1467 O O . ILE A 194 ? 0.3094 0.4513 0.4867 -0.0153 0.0163 -0.0184 886 ILE A O \n1468 C CB . ILE A 194 ? 0.3578 0.4856 0.5325 -0.0101 0.0046 -0.0164 886 ILE A CB \n1469 C CG1 . ILE A 194 ? 0.3072 0.4248 0.4729 -0.0103 0.0011 -0.0145 886 ILE A CG1 \n1470 C CG2 . ILE A 194 ? 0.3112 0.4454 0.4928 -0.0134 0.0036 -0.0151 886 ILE A CG2 \n1471 C CD1 . ILE A 194 ? 0.2950 0.4095 0.4629 -0.0089 -0.0037 -0.0136 886 ILE A CD1 \n1472 N N . LEU A 195 ? 0.2906 0.4324 0.4742 -0.0073 0.0151 -0.0219 887 LEU A N \n1473 C CA . LEU A 195 ? 0.3182 0.4701 0.5106 -0.0067 0.0194 -0.0241 887 LEU A CA \n1474 C C . LEU A 195 ? 0.3433 0.4957 0.5302 -0.0074 0.0253 -0.0257 887 LEU A C \n1475 O O . LEU A 195 ? 0.2164 0.3764 0.4078 -0.0093 0.0296 -0.0264 887 LEU A O \n1476 C CB . LEU A 195 ? 0.2674 0.4231 0.4692 -0.0015 0.0182 -0.0264 887 LEU A CB \n1477 C CG . LEU A 195 ? 0.3812 0.5361 0.5887 -0.0007 0.0120 -0.0249 887 LEU A CG \n1478 C CD1 . LEU A 195 ? 0.3693 0.5250 0.5834 0.0046 0.0099 -0.0273 887 LEU A CD1 \n1479 C CD2 . LEU A 195 ? 0.3279 0.4907 0.5440 -0.0042 0.0111 -0.0232 887 LEU A CD2 \n1480 N N . HIS A 196 ? 0.2235 0.3676 0.4005 -0.0064 0.0253 -0.0262 888 HIS A N \n1481 C CA . HIS A 196 ? 0.2116 0.3547 0.3828 -0.0065 0.0302 -0.0281 888 HIS A CA \n1482 C C . HIS A 196 ? 0.2601 0.3939 0.4187 -0.0088 0.0296 -0.0268 888 HIS A C \n1483 O O . HIS A 196 ? 0.2582 0.3890 0.4104 -0.0086 0.0325 -0.0283 888 HIS A O \n1484 C CB . HIS A 196 ? 0.2642 0.4072 0.4376 -0.0011 0.0313 -0.0314 888 HIS A CB \n1485 C CG . HIS A 196 ? 0.2815 0.4343 0.4675 0.0016 0.0330 -0.0335 888 HIS A CG \n1486 N ND1 . HIS A 196 ? 0.3202 0.4817 0.5112 0.0006 0.0388 -0.0350 888 HIS A ND1 \n1487 C CD2 . HIS A 196 ? 0.2806 0.4359 0.4755 0.0053 0.0295 -0.0342 888 HIS A CD2 \n1488 C CE1 . HIS A 196 ? 0.3149 0.4847 0.5185 0.0040 0.0389 -0.0366 888 HIS A CE1 \n1489 N NE2 . HIS A 196 ? 0.3203 0.4861 0.5262 0.0069 0.0329 -0.0362 888 HIS A NE2 \n1490 N N . ARG A 197 ? 0.2220 0.3511 0.3772 -0.0107 0.0255 -0.0240 889 ARG A N \n1491 C CA . ARG A 197 ? 0.3218 0.4424 0.4663 -0.0128 0.0242 -0.0225 889 ARG A CA \n1492 C C . ARG A 197 ? 0.2542 0.3690 0.3942 -0.0097 0.0237 -0.0239 889 ARG A C \n1493 O O . ARG A 197 ? 0.2898 0.3990 0.4216 -0.0111 0.0242 -0.0238 889 ARG A O \n1494 C CB . ARG A 197 ? 0.3107 0.4315 0.4495 -0.0173 0.0274 -0.0220 889 ARG A CB \n1495 C CG . ARG A 197 ? 0.3310 0.4577 0.4744 -0.0210 0.0279 -0.0203 889 ARG A CG \n1496 C CD . ARG A 197 ? 0.4083 0.5334 0.5441 -0.0261 0.0306 -0.0194 889 ARG A CD \n1497 N NE . ARG A 197 ? 0.3870 0.5168 0.5263 -0.0304 0.0304 -0.0173 889 ARG A NE \n1498 C CZ . ARG A 197 ? 0.5005 0.6383 0.6441 -0.0335 0.0349 -0.0176 889 ARG A CZ \n1499 N NH1 . ARG A 197 ? 0.3863 0.5280 0.5305 -0.0324 0.0405 -0.0201 889 ARG A NH1 \n1500 N NH2 . ARG A 197 ? 0.4104 0.5519 0.5573 -0.0378 0.0339 -0.0152 889 ARG A NH2 \n1501 N N . ILE A 198 ? 0.2439 0.3596 0.3892 -0.0058 0.0222 -0.0252 890 ILE A N \n1502 C CA . ILE A 198 ? 0.2918 0.4016 0.4333 -0.0030 0.0209 -0.0262 890 ILE A CA \n1503 C C . ILE A 198 ? 0.2535 0.3579 0.3926 -0.0031 0.0168 -0.0239 890 ILE A C \n1504 O O . ILE A 198 ? 0.2518 0.3573 0.3951 -0.0024 0.0145 -0.0228 890 ILE A O \n1505 C CB . ILE A 198 ? 0.2880 0.4004 0.4356 0.0012 0.0209 -0.0286 890 ILE A CB \n1506 C CG1 . ILE A 198 ? 0.3485 0.4661 0.4983 0.0021 0.0256 -0.0314 890 ILE A CG1 \n1507 C CG2 . ILE A 198 ? 0.2516 0.3569 0.3949 0.0035 0.0185 -0.0291 890 ILE A CG2 \n1508 C CD1 . ILE A 198 ? 0.2529 0.3755 0.4117 0.0063 0.0257 -0.0338 890 ILE A CD1 \n1509 N N . TYR A 199 ? 0.2700 0.3684 0.4023 -0.0039 0.0159 -0.0232 891 TYR A N \n1510 C CA . TYR A 199 ? 0.3025 0.3962 0.4329 -0.0037 0.0127 -0.0212 891 TYR A CA \n1511 C C . TYR A 199 ? 0.2632 0.3523 0.3910 -0.0022 0.0116 -0.0217 891 TYR A C \n1512 O O . TYR A 199 ? 0.3002 0.3866 0.4231 -0.0030 0.0124 -0.0225 891 TYR A O \n1513 C CB . TYR A 199 ? 0.3225 0.4135 0.4479 -0.0066 0.0122 -0.0193 891 TYR A CB \n1514 C CG . TYR A 199 ? 0.3393 0.4329 0.4660 -0.0087 0.0122 -0.0181 891 TYR A CG \n1515 C CD1 . TYR A 199 ? 0.3133 0.4057 0.4414 -0.0082 0.0099 -0.0165 891 TYR A CD1 \n1516 C CD2 . TYR A 199 ? 0.3412 0.4380 0.4671 -0.0114 0.0146 -0.0185 891 TYR A CD2 \n1517 C CE1 . TYR A 199 ? 0.4019 0.4955 0.5302 -0.0103 0.0093 -0.0153 891 TYR A CE1 \n1518 C CE2 . TYR A 199 ? 0.3614 0.4602 0.4883 -0.0138 0.0142 -0.0170 891 TYR A CE2 \n1519 C CZ . TYR A 199 ? 0.3740 0.4710 0.5020 -0.0132 0.0112 -0.0154 891 TYR A CZ \n1520 O OH . TYR A 199 ? 0.4616 0.5594 0.5897 -0.0157 0.0102 -0.0139 891 TYR A OH \n1521 N N . THR A 200 ? 0.2709 0.3588 0.4014 -0.0002 0.0095 -0.0213 892 THR A N \n1522 C CA . THR A 200 ? 0.2838 0.3673 0.4125 0.0008 0.0078 -0.0214 892 THR A CA \n1523 C C . THR A 200 ? 0.2458 0.3276 0.3758 0.0009 0.0057 -0.0193 892 THR A C \n1524 O O . THR A 200 ? 0.2389 0.3221 0.3704 0.0005 0.0056 -0.0181 892 THR A O \n1525 C CB . THR A 200 ? 0.2441 0.3279 0.3752 0.0035 0.0077 -0.0235 892 THR A CB \n1526 O OG1 . THR A 200 ? 0.2600 0.3458 0.3958 0.0048 0.0064 -0.0230 892 THR A OG1 \n1527 C CG2 . THR A 200 ? 0.3017 0.3885 0.4328 0.0041 0.0107 -0.0261 892 THR A CG2 \n1528 N N . HIS A 201 ? 0.2657 0.3440 0.3949 0.0014 0.0040 -0.0187 893 HIS A N \n1529 C CA . HIS A 201 ? 0.3067 0.3839 0.4376 0.0015 0.0026 -0.0168 893 HIS A CA \n1530 C C . HIS A 201 ? 0.2350 0.3129 0.3684 0.0028 0.0022 -0.0169 893 HIS A C \n1531 O O . HIS A 201 ? 0.2163 0.2936 0.3500 0.0026 0.0019 -0.0153 893 HIS A O \n1532 C CB . HIS A 201 ? 0.2608 0.3348 0.3910 0.0011 0.0009 -0.0159 893 HIS A CB \n1533 C CG . HIS A 201 ? 0.2817 0.3544 0.4095 -0.0002 0.0006 -0.0155 893 HIS A CG \n1534 N ND1 . HIS A 201 ? 0.2949 0.3683 0.4230 -0.0011 0.0007 -0.0140 893 HIS A ND1 \n1535 C CD2 . HIS A 201 ? 0.3002 0.3703 0.4247 -0.0008 0.0000 -0.0166 893 HIS A CD2 \n1536 C CE1 . HIS A 201 ? 0.2813 0.3526 0.4066 -0.0023 -0.0001 -0.0140 893 HIS A CE1 \n1537 N NE2 . HIS A 201 ? 0.3474 0.4165 0.4702 -0.0023 -0.0007 -0.0154 893 HIS A NE2 \n1538 N N . GLN A 202 ? 0.2662 0.3453 0.4011 0.0043 0.0022 -0.0189 894 GLN A N \n1539 C CA . GLN A 202 ? 0.3008 0.3805 0.4384 0.0057 0.0011 -0.0192 894 GLN A CA \n1540 C C . GLN A 202 ? 0.2660 0.3491 0.4055 0.0052 0.0018 -0.0189 894 GLN A C \n1541 O O . GLN A 202 ? 0.2166 0.2987 0.3572 0.0056 0.0002 -0.0182 894 GLN A O \n1542 C CB . GLN A 202 ? 0.2712 0.3506 0.4104 0.0080 0.0003 -0.0216 894 GLN A CB \n1543 C CG . GLN A 202 ? 0.2451 0.3195 0.3817 0.0084 -0.0013 -0.0216 894 GLN A CG \n1544 C CD . GLN A 202 ? 0.3119 0.3828 0.4476 0.0074 -0.0032 -0.0192 894 GLN A CD \n1545 O OE1 . GLN A 202 ? 0.2739 0.3437 0.4081 0.0056 -0.0030 -0.0173 894 GLN A OE1 \n1546 N NE2 . GLN A 202 ? 0.2825 0.3516 0.4191 0.0085 -0.0052 -0.0192 894 GLN A NE2 \n1547 N N . SER A 203 ? 0.2305 0.3167 0.3698 0.0039 0.0037 -0.0193 895 SER A N \n1548 C CA . SER A 203 ? 0.2693 0.3576 0.4093 0.0026 0.0039 -0.0183 895 SER A CA \n1549 C C . SER A 203 ? 0.2776 0.3623 0.4141 0.0014 0.0032 -0.0160 895 SER A C \n1550 O O . SER A 203 ? 0.2485 0.3325 0.3848 0.0011 0.0022 -0.0150 895 SER A O \n1551 C CB . SER A 203 ? 0.3224 0.4150 0.4630 0.0011 0.0061 -0.0191 895 SER A CB \n1552 O OG . SER A 203 ? 0.2522 0.3429 0.3883 -0.0004 0.0073 -0.0187 895 SER A OG \n1553 N N . ASP A 204 ? 0.2664 0.3487 0.4003 0.0011 0.0036 -0.0152 896 ASP A N \n1554 C CA . ASP A 204 ? 0.2404 0.3196 0.3717 0.0007 0.0033 -0.0133 896 ASP A CA \n1555 C C . ASP A 204 ? 0.1875 0.2642 0.3189 0.0016 0.0023 -0.0125 896 ASP A C \n1556 O O . ASP A 204 ? 0.2167 0.2909 0.3457 0.0014 0.0022 -0.0113 896 ASP A O \n1557 C CB . ASP A 204 ? 0.2905 0.3686 0.4209 0.0004 0.0037 -0.0127 896 ASP A CB \n1558 C CG . ASP A 204 ? 0.3267 0.4052 0.4550 -0.0008 0.0042 -0.0128 896 ASP A CG \n1559 O OD1 . ASP A 204 ? 0.2851 0.3625 0.4128 -0.0011 0.0038 -0.0125 896 ASP A OD1 \n1560 O OD2 . ASP A 204 ? 0.2647 0.3443 0.3917 -0.0019 0.0046 -0.0130 896 ASP A OD2 \n1561 N N . VAL A 205 ? 0.1864 0.2627 0.3196 0.0026 0.0014 -0.0133 897 VAL A N \n1562 C CA . VAL A 205 ? 0.1757 0.2486 0.3080 0.0032 0.0000 -0.0126 897 VAL A CA \n1563 C C . VAL A 205 ? 0.2591 0.3309 0.3907 0.0033 -0.0012 -0.0124 897 VAL A C \n1564 O O . VAL A 205 ? 0.2232 0.2909 0.3514 0.0030 -0.0018 -0.0110 897 VAL A O \n1565 C CB . VAL A 205 ? 0.1789 0.2506 0.3127 0.0042 -0.0015 -0.0136 897 VAL A CB \n1566 C CG1 . VAL A 205 ? 0.1852 0.2526 0.3174 0.0046 -0.0035 -0.0129 897 VAL A CG1 \n1567 C CG2 . VAL A 205 ? 0.2414 0.3121 0.3747 0.0035 -0.0009 -0.0130 897 VAL A CG2 \n1568 N N . TRP A 206 ? 0.1984 0.2739 0.3332 0.0035 -0.0017 -0.0137 898 TRP A N \n1569 C CA . TRP A 206 ? 0.2443 0.3194 0.3794 0.0032 -0.0035 -0.0133 898 TRP A CA \n1570 C C . TRP A 206 ? 0.2272 0.2994 0.3576 0.0018 -0.0030 -0.0116 898 TRP A C \n1571 O O . TRP A 206 ? 0.2115 0.2788 0.3382 0.0016 -0.0047 -0.0105 898 TRP A O \n1572 C CB . TRP A 206 ? 0.2139 0.2952 0.3546 0.0033 -0.0034 -0.0149 898 TRP A CB \n1573 C CG . TRP A 206 ? 0.1837 0.2658 0.3263 0.0026 -0.0056 -0.0144 898 TRP A CG \n1574 C CD1 . TRP A 206 ? 0.2347 0.3144 0.3738 0.0008 -0.0064 -0.0128 898 TRP A CD1 \n1575 C CD2 . TRP A 206 ? 0.2264 0.3119 0.3755 0.0038 -0.0078 -0.0156 898 TRP A CD2 \n1576 N NE1 . TRP A 206 ? 0.2215 0.3027 0.3644 0.0004 -0.0093 -0.0127 898 TRP A NE1 \n1577 C CE2 . TRP A 206 ? 0.2218 0.3071 0.3715 0.0023 -0.0101 -0.0144 898 TRP A CE2 \n1578 C CE3 . TRP A 206 ? 0.2560 0.3445 0.4105 0.0062 -0.0082 -0.0176 898 TRP A CE3 \n1579 C CZ2 . TRP A 206 ? 0.2724 0.3612 0.4291 0.0030 -0.0130 -0.0150 898 TRP A CZ2 \n1580 C CZ3 . TRP A 206 ? 0.2655 0.3578 0.4272 0.0073 -0.0107 -0.0185 898 TRP A CZ3 \n1581 C CH2 . TRP A 206 ? 0.2477 0.3402 0.4107 0.0056 -0.0131 -0.0171 898 TRP A CH2 \n1582 N N . SER A 207 ? 0.2085 0.2825 0.3379 0.0009 -0.0009 -0.0115 899 SER A N \n1583 C CA . SER A 207 ? 0.2061 0.2771 0.3308 0.0000 -0.0005 -0.0102 899 SER A CA \n1584 C C . SER A 207 ? 0.2428 0.3088 0.3633 0.0007 0.0001 -0.0090 899 SER A C \n1585 O O . SER A 207 ? 0.2326 0.2940 0.3480 0.0005 0.0000 -0.0080 899 SER A O \n1586 C CB . SER A 207 ? 0.2226 0.2961 0.3471 -0.0009 0.0010 -0.0103 899 SER A CB \n1587 O OG . SER A 207 ? 0.3026 0.3809 0.4306 -0.0019 0.0010 -0.0114 899 SER A OG \n1588 N N . TYR A 208 ? 0.2420 0.3087 0.3642 0.0014 0.0011 -0.0091 900 TYR A N \n1589 C CA . TYR A 208 ? 0.2237 0.2863 0.3428 0.0018 0.0022 -0.0079 900 TYR A CA \n1590 C C . TYR A 208 ? 0.2569 0.3143 0.3721 0.0018 0.0005 -0.0074 900 TYR A C \n1591 O O . TYR A 208 ? 0.2346 0.2873 0.3444 0.0017 0.0016 -0.0063 900 TYR A O \n1592 C CB . TYR A 208 ? 0.2786 0.3430 0.4007 0.0019 0.0030 -0.0080 900 TYR A CB \n1593 C CG . TYR A 208 ? 0.2518 0.3129 0.3715 0.0018 0.0045 -0.0065 900 TYR A CG \n1594 C CD1 . TYR A 208 ? 0.2530 0.3102 0.3705 0.0015 0.0032 -0.0060 900 TYR A CD1 \n1595 C CD2 . TYR A 208 ? 0.3118 0.3738 0.4316 0.0019 0.0072 -0.0056 900 TYR A CD2 \n1596 C CE1 . TYR A 208 ? 0.3283 0.3825 0.4431 0.0008 0.0050 -0.0045 900 TYR A CE1 \n1597 C CE2 . TYR A 208 ? 0.2675 0.3274 0.3859 0.0016 0.0093 -0.0042 900 TYR A CE2 \n1598 C CZ . TYR A 208 ? 0.3254 0.3813 0.4408 0.0008 0.0084 -0.0036 900 TYR A CZ \n1599 O OH . TYR A 208 ? 0.3145 0.3683 0.4279 0.0000 0.0108 -0.0021 900 TYR A OH \n1600 N N . GLY A 209 ? 0.2667 0.3246 0.3842 0.0019 -0.0021 -0.0082 901 GLY A N \n1601 C CA . GLY A 209 ? 0.2484 0.3005 0.3621 0.0018 -0.0047 -0.0076 901 GLY A CA \n1602 C C . GLY A 209 ? 0.2556 0.3041 0.3645 0.0012 -0.0055 -0.0068 901 GLY A C \n1603 O O . GLY A 209 ? 0.2543 0.2957 0.3565 0.0009 -0.0063 -0.0058 901 GLY A O \n1604 N N . VAL A 210 ? 0.2625 0.3151 0.3742 0.0007 -0.0057 -0.0073 902 VAL A N \n1605 C CA . VAL A 210 ? 0.2244 0.2733 0.3314 -0.0001 -0.0071 -0.0066 902 VAL A CA \n1606 C C . VAL A 210 ? 0.2572 0.3008 0.3569 0.0002 -0.0044 -0.0057 902 VAL A C \n1607 O O . VAL A 210 ? 0.2896 0.3259 0.3819 0.0000 -0.0053 -0.0048 902 VAL A O \n1608 C CB . VAL A 210 ? 0.2599 0.3144 0.3714 -0.0012 -0.0077 -0.0071 902 VAL A CB \n1609 C CG1 . VAL A 210 ? 0.2876 0.3371 0.3938 -0.0026 -0.0101 -0.0060 902 VAL A CG1 \n1610 C CG2 . VAL A 210 ? 0.2210 0.2817 0.3407 -0.0011 -0.0094 -0.0082 902 VAL A CG2 \n1611 N N . THR A 211 ? 0.2530 0.3003 0.3550 0.0008 -0.0012 -0.0059 903 THR A N \n1612 C CA . THR A 211 ? 0.2645 0.3083 0.3615 0.0017 0.0017 -0.0053 903 THR A CA \n1613 C C . THR A 211 ? 0.2164 0.2538 0.3074 0.0021 0.0028 -0.0045 903 THR A C \n1614 O O . THR A 211 ? 0.2578 0.2885 0.3411 0.0025 0.0037 -0.0039 903 THR A O \n1615 C CB . THR A 211 ? 0.2349 0.2845 0.3372 0.0024 0.0044 -0.0057 903 THR A CB \n1616 O OG1 . THR A 211 ? 0.2518 0.3059 0.3578 0.0017 0.0033 -0.0064 903 THR A OG1 \n1617 C CG2 . THR A 211 ? 0.2580 0.3053 0.3570 0.0038 0.0075 -0.0052 903 THR A CG2 \n1618 N N . VAL A 212 ? 0.2426 0.2813 0.3365 0.0018 0.0028 -0.0044 904 VAL A N \n1619 C CA . VAL A 212 ? 0.2678 0.3003 0.3557 0.0016 0.0037 -0.0034 904 VAL A CA \n1620 C C . VAL A 212 ? 0.3394 0.3633 0.4191 0.0010 0.0007 -0.0030 904 VAL A C \n1621 O O . VAL A 212 ? 0.2939 0.3104 0.3649 0.0010 0.0023 -0.0022 904 VAL A O \n1622 C CB . VAL A 212 ? 0.2888 0.3234 0.3808 0.0010 0.0030 -0.0034 904 VAL A CB \n1623 C CG1 . VAL A 212 ? 0.3699 0.3967 0.4545 0.0001 0.0031 -0.0022 904 VAL A CG1 \n1624 C CG2 . VAL A 212 ? 0.3306 0.3718 0.4290 0.0012 0.0060 -0.0034 904 VAL A CG2 \n1625 N N . TRP A 213 ? 0.2856 0.3104 0.3680 0.0005 -0.0037 -0.0035 905 TRP A N \n1626 C CA . TRP A 213 ? 0.2986 0.3156 0.3743 -0.0002 -0.0075 -0.0029 905 TRP A CA \n1627 C C . TRP A 213 ? 0.2931 0.3046 0.3609 0.0000 -0.0063 -0.0025 905 TRP A C \n1628 O O . TRP A 213 ? 0.3043 0.3058 0.3618 -0.0003 -0.0071 -0.0018 905 TRP A O \n1629 C CB . TRP A 213 ? 0.3086 0.3302 0.3915 -0.0007 -0.0122 -0.0035 905 TRP A CB \n1630 C CG . TRP A 213 ? 0.3462 0.3602 0.4237 -0.0018 -0.0174 -0.0028 905 TRP A CG \n1631 C CD1 . TRP A 213 ? 0.3501 0.3587 0.4256 -0.0022 -0.0216 -0.0024 905 TRP A CD1 \n1632 C CD2 . TRP A 213 ? 0.3405 0.3508 0.4139 -0.0028 -0.0198 -0.0022 905 TRP A CD2 \n1633 N NE1 . TRP A 213 ? 0.3245 0.3263 0.3950 -0.0033 -0.0264 -0.0015 905 TRP A NE1 \n1634 C CE2 . TRP A 213 ? 0.3770 0.3799 0.4463 -0.0038 -0.0254 -0.0014 905 TRP A CE2 \n1635 C CE3 . TRP A 213 ? 0.3516 0.3636 0.4242 -0.0031 -0.0182 -0.0022 905 TRP A CE3 \n1636 C CZ2 . TRP A 213 ? 0.3816 0.3788 0.4460 -0.0053 -0.0295 -0.0005 905 TRP A CZ2 \n1637 C CZ3 . TRP A 213 ? 0.3452 0.3513 0.4125 -0.0045 -0.0221 -0.0014 905 TRP A CZ3 \n1638 C CH2 . TRP A 213 ? 0.3738 0.3728 0.4373 -0.0057 -0.0277 -0.0005 905 TRP A CH2 \n1639 N N . GLU A 214 ? 0.2689 0.2858 0.3406 0.0004 -0.0046 -0.0030 906 GLU A N \n1640 C CA . GLU A 214 ? 0.3126 0.3240 0.3769 0.0009 -0.0037 -0.0028 906 GLU A CA \n1641 C C . GLU A 214 ? 0.3525 0.3579 0.4089 0.0023 0.0005 -0.0026 906 GLU A C \n1642 O O . GLU A 214 ? 0.3749 0.3710 0.4210 0.0027 0.0005 -0.0022 906 GLU A O \n1643 C CB . GLU A 214 ? 0.3406 0.3589 0.4104 0.0014 -0.0021 -0.0035 906 GLU A CB \n1644 C CG . GLU A 214 ? 0.3056 0.3293 0.3816 -0.0001 -0.0055 -0.0037 906 GLU A CG \n1645 C CD . GLU A 214 ? 0.2970 0.3255 0.3762 0.0000 -0.0038 -0.0042 906 GLU A CD \n1646 O OE1 . GLU A 214 ? 0.3344 0.3583 0.4081 -0.0002 -0.0050 -0.0039 906 GLU A OE1 \n1647 O OE2 . GLU A 214 ? 0.3234 0.3593 0.4098 0.0004 -0.0018 -0.0048 906 GLU A OE2 \n1648 N N . LEU A 215 ? 0.3417 0.3524 0.4031 0.0030 0.0044 -0.0027 907 LEU A N \n1649 C CA . LEU A 215 ? 0.3738 0.3807 0.4296 0.0042 0.0094 -0.0023 907 LEU A CA \n1650 C C . LEU A 215 ? 0.3713 0.3676 0.4163 0.0032 0.0087 -0.0015 907 LEU A C \n1651 O O . LEU A 215 ? 0.3895 0.3773 0.4240 0.0041 0.0110 -0.0013 907 LEU A O \n1652 C CB . LEU A 215 ? 0.3539 0.3695 0.4188 0.0045 0.0130 -0.0023 907 LEU A CB \n1653 C CG . LEU A 215 ? 0.3402 0.3647 0.4141 0.0056 0.0141 -0.0030 907 LEU A CG \n1654 C CD1 . LEU A 215 ? 0.3761 0.4074 0.4573 0.0058 0.0176 -0.0027 907 LEU A CD1 \n1655 C CD2 . LEU A 215 ? 0.3543 0.3759 0.4240 0.0076 0.0155 -0.0035 907 LEU A CD2 \n1656 N N . MET A 216 ? 0.4067 0.4030 0.4538 0.0015 0.0053 -0.0010 908 MET A N \n1657 C CA . MET A 216 ? 0.4104 0.3966 0.4477 0.0002 0.0039 -0.0001 908 MET A CA \n1658 C C . MET A 216 ? 0.4198 0.3949 0.4463 -0.0003 -0.0003 0.0001 908 MET A C \n1659 O O . MET A 216 ? 0.4184 0.3826 0.4337 -0.0013 -0.0011 0.0009 908 MET A O \n1660 C CB . MET A 216 ? 0.3638 0.3527 0.4068 -0.0011 0.0004 0.0001 908 MET A CB \n1661 C CG . MET A 216 ? 0.3814 0.3793 0.4335 -0.0011 0.0037 0.0000 908 MET A CG \n1662 S SD . MET A 216 ? 0.4694 0.4642 0.5153 -0.0015 0.0107 0.0012 908 MET A SD \n1663 C CE . MET A 216 ? 0.4280 0.4357 0.4878 -0.0014 0.0135 0.0011 908 MET A CE \n1664 N N . THR A 217 ? 0.4389 0.4162 0.4685 0.0000 -0.0035 -0.0003 909 THR A N \n1665 C CA . THR A 217 ? 0.4027 0.3697 0.4226 -0.0008 -0.0081 0.0000 909 THR A CA \n1666 C C . THR A 217 ? 0.4574 0.4193 0.4692 0.0007 -0.0048 -0.0003 909 THR A C \n1667 O O . THR A 217 ? 0.4372 0.3901 0.4403 0.0003 -0.0083 0.0000 909 THR A O \n1668 C CB . THR A 217 ? 0.3820 0.3542 0.4101 -0.0019 -0.0141 0.0000 909 THR A CB \n1669 O OG1 . THR A 217 ? 0.4039 0.3859 0.4407 -0.0011 -0.0119 -0.0007 909 THR A OG1 \n1670 C CG2 . THR A 217 ? 0.4312 0.4083 0.4678 -0.0030 -0.0179 0.0001 909 THR A CG2 \n1671 N N . PHE A 218 ? 0.4201 0.3877 0.4353 0.0027 0.0015 -0.0009 910 PHE A N \n1672 C CA . PHE A 218 ? 0.5089 0.4731 0.5182 0.0050 0.0051 -0.0017 910 PHE A CA \n1673 C C . PHE A 218 ? 0.4800 0.4459 0.4920 0.0049 0.0011 -0.0020 910 PHE A C \n1674 O O . PHE A 218 ? 0.4512 0.4083 0.4535 0.0058 0.0002 -0.0022 910 PHE A O \n1675 C CB . PHE A 218 ? 0.5081 0.4577 0.5008 0.0055 0.0068 -0.0014 910 PHE A CB \n1676 C CG . PHE A 218 ? 0.4744 0.4225 0.4641 0.0051 0.0112 -0.0009 910 PHE A CG \n1677 C CD1 . PHE A 218 ? 0.5609 0.5151 0.5545 0.0069 0.0188 -0.0014 910 PHE A CD1 \n1678 C CD2 . PHE A 218 ? 0.5242 0.4647 0.5075 0.0025 0.0075 0.0001 910 PHE A CD2 \n1679 C CE1 . PHE A 218 ? 0.5072 0.4603 0.4983 0.0059 0.0230 -0.0006 910 PHE A CE1 \n1680 C CE2 . PHE A 218 ? 0.5194 0.4576 0.4989 0.0016 0.0114 0.0008 910 PHE A CE2 \n1681 C CZ . PHE A 218 ? 0.5210 0.4657 0.5043 0.0031 0.0194 0.0005 910 PHE A CZ \n1682 N N . GLY A 219 ? 0.3825 0.3592 0.4070 0.0038 -0.0010 -0.0021 911 GLY A N \n1683 C CA . GLY A 219 ? 0.3826 0.3628 0.4111 0.0033 -0.0037 -0.0023 911 GLY A CA \n1684 C C . GLY A 219 ? 0.3959 0.3723 0.4225 0.0007 -0.0104 -0.0015 911 GLY A C \n1685 O O . GLY A 219 ? 0.3953 0.3699 0.4200 0.0001 -0.0128 -0.0014 911 GLY A O \n1686 N N . SER A 220 ? 0.4351 0.4103 0.4626 -0.0009 -0.0138 -0.0008 912 SER A N \n1687 C CA . SER A 220 ? 0.4092 0.3841 0.4392 -0.0036 -0.0204 0.0000 912 SER A CA \n1688 C C . SER A 220 ? 0.3741 0.3617 0.4173 -0.0046 -0.0210 -0.0003 912 SER A C \n1689 O O . SER A 220 ? 0.3525 0.3497 0.4044 -0.0036 -0.0173 -0.0012 912 SER A O \n1690 C CB . SER A 220 ? 0.4691 0.4409 0.4990 -0.0047 -0.0242 0.0006 912 SER A CB \n1691 O OG . SER A 220 ? 0.4822 0.4405 0.4979 -0.0044 -0.0243 0.0011 912 SER A OG \n1692 N N . LYS A 221 ? 0.4242 0.4114 0.4685 -0.0071 -0.0260 0.0004 913 LYS A N \n1693 C CA . LYS A 221 ? 0.4383 0.4369 0.4943 -0.0088 -0.0267 0.0003 913 LYS A CA \n1694 C C . LYS A 221 ? 0.4370 0.4437 0.5039 -0.0096 -0.0287 0.0001 913 LYS A C \n1695 O O . LYS A 221 ? 0.3920 0.3943 0.4578 -0.0108 -0.0336 0.0010 913 LYS A O \n1696 C CB . LYS A 221 ? 0.4642 0.4587 0.5165 -0.0115 -0.0311 0.0015 913 LYS A CB \n1697 C CG . LYS A 221 ? 0.5168 0.5046 0.5598 -0.0107 -0.0295 0.0014 913 LYS A CG \n1698 C CD . LYS A 221 ? 0.6868 0.6690 0.7250 -0.0139 -0.0348 0.0028 913 LYS A CD \n1699 C CE . LYS A 221 ? 0.7861 0.7795 0.8356 -0.0170 -0.0358 0.0033 913 LYS A CE \n1700 N NZ . LYS A 221 ? 0.9970 0.9850 1.0419 -0.0208 -0.0412 0.0050 913 LYS A NZ \n1701 N N . PRO A 222 ? 0.4009 0.4187 0.4782 -0.0087 -0.0253 -0.0009 914 PRO A N \n1702 C CA . PRO A 222 ? 0.3311 0.3559 0.4184 -0.0087 -0.0269 -0.0014 914 PRO A CA \n1703 C C . PRO A 222 ? 0.3990 0.4284 0.4934 -0.0113 -0.0314 -0.0007 914 PRO A C \n1704 O O . PRO A 222 ? 0.3790 0.4121 0.4752 -0.0133 -0.0311 -0.0003 914 PRO A O \n1705 C CB . PRO A 222 ? 0.3862 0.4207 0.4812 -0.0073 -0.0219 -0.0028 914 PRO A CB \n1706 C CG . PRO A 222 ? 0.3979 0.4332 0.4902 -0.0078 -0.0192 -0.0028 914 PRO A CG \n1707 C CD . PRO A 222 ? 0.3830 0.4067 0.4630 -0.0076 -0.0203 -0.0018 914 PRO A CD \n1708 N N . TYR A 223 ? 0.3786 0.4078 0.4770 -0.0115 -0.0358 -0.0004 915 TYR A N \n1709 C CA . TYR A 223 ? 0.3816 0.4160 0.4884 -0.0139 -0.0404 0.0002 915 TYR A CA \n1710 C C . TYR A 223 ? 0.4591 0.4876 0.5592 -0.0170 -0.0433 0.0020 915 TYR A C \n1711 O O . TYR A 223 ? 0.5290 0.5647 0.6359 -0.0196 -0.0439 0.0025 915 TYR A O \n1712 C CB . TYR A 223 ? 0.3680 0.4170 0.4885 -0.0140 -0.0372 -0.0009 915 TYR A CB \n1713 C CG . TYR A 223 ? 0.3113 0.3658 0.4369 -0.0109 -0.0332 -0.0029 915 TYR A CG \n1714 C CD1 . TYR A 223 ? 0.3498 0.4063 0.4818 -0.0091 -0.0357 -0.0037 915 TYR A CD1 \n1715 C CD2 . TYR A 223 ? 0.3966 0.4536 0.5204 -0.0098 -0.0275 -0.0039 915 TYR A CD2 \n1716 C CE1 . TYR A 223 ? 0.3620 0.4227 0.4979 -0.0063 -0.0324 -0.0055 915 TYR A CE1 \n1717 C CE2 . TYR A 223 ? 0.3334 0.3947 0.4613 -0.0073 -0.0244 -0.0056 915 TYR A CE2 \n1718 C CZ . TYR A 223 ? 0.3187 0.3816 0.4522 -0.0056 -0.0268 -0.0064 915 TYR A CZ \n1719 O OH . TYR A 223 ? 0.3887 0.4551 0.5258 -0.0032 -0.0240 -0.0080 915 TYR A OH \n1720 N N . ASP A 224 ? 0.5151 0.5301 0.6012 -0.0168 -0.0448 0.0028 916 ASP A N \n1721 C CA . ASP A 224 ? 0.5830 0.5895 0.6598 -0.0192 -0.0478 0.0044 916 ASP A CA \n1722 C C . ASP A 224 ? 0.5812 0.5897 0.6643 -0.0227 -0.0546 0.0060 916 ASP A C \n1723 O O . ASP A 224 ? 0.5600 0.5678 0.6470 -0.0227 -0.0590 0.0064 916 ASP A O \n1724 C CB . ASP A 224 ? 0.6434 0.6340 0.7037 -0.0178 -0.0487 0.0047 916 ASP A CB \n1725 C CG . ASP A 224 ? 0.6817 0.6618 0.7302 -0.0196 -0.0511 0.0059 916 ASP A CG \n1726 O OD1 . ASP A 224 ? 0.7661 0.7321 0.8011 -0.0192 -0.0537 0.0065 916 ASP A OD1 \n1727 O OD2 . ASP A 224 ? 0.5865 0.5715 0.6381 -0.0214 -0.0504 0.0062 916 ASP A OD2 \n1728 N N . GLY A 225 ? 0.6830 0.6945 0.7678 -0.0259 -0.0555 0.0071 917 GLY A N \n1729 C CA . GLY A 225 ? 0.9298 0.9438 1.0211 -0.0300 -0.0618 0.0090 917 GLY A CA \n1730 C C . GLY A 225 ? 0.8729 0.9039 0.9827 -0.0311 -0.0605 0.0086 917 GLY A C \n1731 O O . GLY A 225 ? 0.7563 0.7930 0.8731 -0.0350 -0.0633 0.0101 917 GLY A O \n1732 N N . ILE A 226 ? 0.7571 0.7962 0.8746 -0.0276 -0.0562 0.0065 918 ILE A N \n1733 C CA . ILE A 226 ? 0.5624 0.6176 0.6970 -0.0276 -0.0538 0.0054 918 ILE A CA \n1734 C C . ILE A 226 ? 0.6378 0.7016 0.7757 -0.0295 -0.0482 0.0051 918 ILE A C \n1735 O O . ILE A 226 ? 0.6158 0.6769 0.7463 -0.0279 -0.0433 0.0040 918 ILE A O \n1736 C CB . ILE A 226 ? 0.6731 0.7322 0.8133 -0.0232 -0.0514 0.0032 918 ILE A CB \n1737 C CG1 . ILE A 226 ? 0.7936 0.8458 0.9331 -0.0223 -0.0582 0.0038 918 ILE A CG1 \n1738 C CG2 . ILE A 226 ? 0.5529 0.6280 0.7088 -0.0225 -0.0475 0.0016 918 ILE A CG2 \n1739 C CD1 . ILE A 226 ? 0.9994 1.0506 1.1395 -0.0180 -0.0567 0.0020 918 ILE A CD1 \n1740 N N . PRO A 227 ? 0.6265 0.7005 0.7753 -0.0331 -0.0490 0.0060 919 PRO A N \n1741 C CA . PRO A 227 ? 0.5769 0.6580 0.7276 -0.0355 -0.0440 0.0060 919 PRO A CA \n1742 C C . PRO A 227 ? 0.5006 0.5904 0.6568 -0.0322 -0.0369 0.0032 919 PRO A C \n1743 O O . PRO A 227 ? 0.3791 0.4759 0.5452 -0.0292 -0.0361 0.0016 919 PRO A O \n1744 C CB . PRO A 227 ? 0.5345 0.6259 0.6978 -0.0400 -0.0464 0.0076 919 PRO A CB \n1745 C CG . PRO A 227 ? 0.6697 0.7568 0.8356 -0.0403 -0.0541 0.0090 919 PRO A CG \n1746 C CD . PRO A 227 ? 0.6948 0.7748 0.8556 -0.0350 -0.0544 0.0072 919 PRO A CD \n1747 N N . ALA A 228 ? 0.4646 0.5533 0.6142 -0.0326 -0.0323 0.0028 920 ALA A N \n1748 C CA . ALA A 228 ? 0.5895 0.6847 0.7422 -0.0299 -0.0259 0.0004 920 ALA A CA \n1749 C C . ALA A 228 ? 0.5724 0.6819 0.7400 -0.0302 -0.0230 -0.0008 920 ALA A C \n1750 O O . ALA A 228 ? 0.4040 0.5184 0.5764 -0.0265 -0.0196 -0.0031 920 ALA A O \n1751 C CB . ALA A 228 ? 0.4500 0.5418 0.5939 -0.0313 -0.0225 0.0005 920 ALA A CB \n1752 N N . SER A 229 ? 0.4367 0.5529 0.6115 -0.0345 -0.0245 0.0007 921 SER A N \n1753 C CA . SER A 229 ? 0.3859 0.5166 0.5758 -0.0347 -0.0213 -0.0004 921 SER A CA \n1754 C C . SER A 229 ? 0.4132 0.5485 0.6137 -0.0305 -0.0235 -0.0019 921 SER A C \n1755 O O . SER A 229 ? 0.4524 0.5991 0.6648 -0.0288 -0.0199 -0.0038 921 SER A O \n1756 C CB . SER A 229 ? 0.4430 0.5803 0.6390 -0.0408 -0.0224 0.0019 921 SER A CB \n1757 O OG . SER A 229 ? 0.4650 0.5994 0.6640 -0.0425 -0.0297 0.0041 921 SER A OG \n1758 N N . GLU A 230 ? 0.3843 0.5101 0.5800 -0.0287 -0.0293 -0.0012 922 GLU A N \n1759 C CA . GLU A 230 ? 0.3692 0.4972 0.5734 -0.0249 -0.0326 -0.0024 922 GLU A CA \n1760 C C . GLU A 230 ? 0.3093 0.4321 0.5081 -0.0197 -0.0304 -0.0047 922 GLU A C \n1761 O O . GLU A 230 ? 0.3589 0.4832 0.5641 -0.0162 -0.0327 -0.0061 922 GLU A O \n1762 C CB . GLU A 230 ? 0.4492 0.5692 0.6514 -0.0264 -0.0410 0.0000 922 GLU A CB \n1763 C CG . GLU A 230 ? 0.6298 0.7560 0.8406 -0.0314 -0.0447 0.0023 922 GLU A CG \n1764 C CD . GLU A 230 ? 0.8229 0.9618 1.0526 -0.0303 -0.0466 0.0016 922 GLU A CD \n1765 O OE1 . GLU A 230 ? 1.0418 1.1820 1.2778 -0.0336 -0.0528 0.0039 922 GLU A OE1 \n1766 O OE2 . GLU A 230 ? 0.6964 0.8438 0.9349 -0.0262 -0.0423 -0.0012 922 GLU A OE2 \n1767 N N . ILE A 231 ? 0.3651 0.4822 0.5528 -0.0193 -0.0265 -0.0051 923 ILE A N \n1768 C CA . ILE A 231 ? 0.2896 0.4007 0.4713 -0.0150 -0.0251 -0.0068 923 ILE A CA \n1769 C C . ILE A 231 ? 0.2475 0.3669 0.4386 -0.0112 -0.0218 -0.0097 923 ILE A C \n1770 O O . ILE A 231 ? 0.3079 0.4240 0.4996 -0.0078 -0.0241 -0.0107 923 ILE A O \n1771 C CB . ILE A 231 ? 0.3691 0.4725 0.5378 -0.0153 -0.0218 -0.0065 923 ILE A CB \n1772 C CG1 . ILE A 231 ? 0.3609 0.4530 0.5184 -0.0174 -0.0259 -0.0042 923 ILE A CG1 \n1773 C CG2 . ILE A 231 ? 0.3133 0.4137 0.4786 -0.0113 -0.0194 -0.0084 923 ILE A CG2 \n1774 C CD1 . ILE A 231 ? 0.3295 0.4124 0.4823 -0.0156 -0.0307 -0.0036 923 ILE A CD1 \n1775 N N . SER A 232 ? 0.2474 0.3767 0.4447 -0.0119 -0.0165 -0.0110 924 SER A N \n1776 C CA . SER A 232 ? 0.3373 0.4737 0.5427 -0.0080 -0.0132 -0.0140 924 SER A CA \n1777 C C . SER A 232 ? 0.3233 0.4644 0.5406 -0.0054 -0.0174 -0.0148 924 SER A C \n1778 O O . SER A 232 ? 0.2494 0.3900 0.4691 -0.0011 -0.0177 -0.0169 924 SER A O \n1779 C CB . SER A 232 ? 0.3770 0.5230 0.5867 -0.0094 -0.0067 -0.0152 924 SER A CB \n1780 O OG . SER A 232 ? 0.4008 0.5566 0.6213 -0.0122 -0.0068 -0.0144 924 SER A OG \n1781 N N . SER A 233 ? 0.3645 0.5099 0.5894 -0.0081 -0.0213 -0.0130 925 SER A N \n1782 C CA . SER A 233 ? 0.3453 0.4953 0.5824 -0.0053 -0.0258 -0.0139 925 SER A CA \n1783 C C . SER A 233 ? 0.3232 0.4611 0.5533 -0.0031 -0.0322 -0.0133 925 SER A C \n1784 O O . SER A 233 ? 0.3018 0.4398 0.5371 0.0010 -0.0345 -0.0151 925 SER A O \n1785 C CB . SER A 233 ? 0.4625 0.6213 0.7116 -0.0088 -0.0286 -0.0121 925 SER A CB \n1786 O OG . SER A 233 ? 0.5599 0.7102 0.8006 -0.0131 -0.0334 -0.0088 925 SER A OG \n1787 N N . ILE A 234 ? 0.3309 0.4573 0.5478 -0.0057 -0.0348 -0.0109 926 ILE A N \n1788 C CA . ILE A 234 ? 0.4040 0.5173 0.6111 -0.0042 -0.0398 -0.0102 926 ILE A CA \n1789 C C . ILE A 234 ? 0.3330 0.4431 0.5359 -0.0001 -0.0369 -0.0124 926 ILE A C \n1790 O O . ILE A 234 ? 0.3135 0.4201 0.5182 0.0029 -0.0407 -0.0133 926 ILE A O \n1791 C CB . ILE A 234 ? 0.4687 0.5711 0.6618 -0.0078 -0.0415 -0.0074 926 ILE A CB \n1792 C CG1 . ILE A 234 ? 0.5209 0.6210 0.7167 -0.0106 -0.0488 -0.0051 926 ILE A CG1 \n1793 C CG2 . ILE A 234 ? 0.5683 0.6582 0.7473 -0.0062 -0.0414 -0.0074 926 ILE A CG2 \n1794 C CD1 . ILE A 234 ? 0.6916 0.7819 0.8747 -0.0145 -0.0505 -0.0025 926 ILE A CD1 \n1795 N N . LEU A 235 ? 0.3673 0.4783 0.5647 -0.0001 -0.0306 -0.0133 927 LEU A N \n1796 C CA . LEU A 235 ? 0.3098 0.4185 0.5038 0.0032 -0.0276 -0.0153 927 LEU A CA \n1797 C C . LEU A 235 ? 0.2829 0.3989 0.4882 0.0072 -0.0275 -0.0181 927 LEU A C \n1798 O O . LEU A 235 ? 0.3000 0.4108 0.5032 0.0103 -0.0293 -0.0193 927 LEU A O \n1799 C CB . LEU A 235 ? 0.2930 0.4030 0.4813 0.0021 -0.0212 -0.0158 927 LEU A CB \n1800 C CG . LEU A 235 ? 0.3192 0.4211 0.4957 -0.0007 -0.0210 -0.0134 927 LEU A CG \n1801 C CD1 . LEU A 235 ? 0.3372 0.4409 0.5093 -0.0016 -0.0153 -0.0139 927 LEU A CD1 \n1802 C CD2 . LEU A 235 ? 0.3026 0.3933 0.4701 0.0004 -0.0241 -0.0126 927 LEU A CD2 \n1803 N N . GLU A 236 ? 0.3537 0.4815 0.5708 0.0070 -0.0252 -0.0192 928 GLU A N \n1804 C CA . GLU A 236 ? 0.3738 0.5098 0.6029 0.0112 -0.0245 -0.0222 928 GLU A CA \n1805 C C . GLU A 236 ? 0.4014 0.5346 0.6364 0.0138 -0.0318 -0.0222 928 GLU A C \n1806 O O . GLU A 236 ? 0.3668 0.5009 0.6066 0.0183 -0.0326 -0.0247 928 GLU A O \n1807 C CB . GLU A 236 ? 0.3825 0.5325 0.6235 0.0100 -0.0200 -0.0231 928 GLU A CB \n1808 C CG . GLU A 236 ? 0.4376 0.5914 0.6746 0.0090 -0.0121 -0.0243 928 GLU A CG \n1809 C CD . GLU A 236 ? 0.7449 0.9105 0.9904 0.0059 -0.0078 -0.0240 928 GLU A CD \n1810 O OE1 . GLU A 236 ? 0.8096 0.9807 1.0555 0.0063 -0.0011 -0.0260 928 GLU A OE1 \n1811 O OE2 . GLU A 236 ? 0.6572 0.8261 0.9083 0.0027 -0.0111 -0.0218 928 GLU A OE2 \n1812 N N . LYS A 237 ? 0.3971 0.5260 0.6309 0.0110 -0.0376 -0.0195 929 LYS A N \n1813 C CA . LYS A 237 ? 0.4089 0.5329 0.6464 0.0130 -0.0457 -0.0192 929 LYS A CA \n1814 C C . LYS A 237 ? 0.4814 0.5910 0.7058 0.0144 -0.0490 -0.0189 929 LYS A C \n1815 O O . LYS A 237 ? 0.4509 0.5543 0.6760 0.0162 -0.0559 -0.0187 929 LYS A O \n1816 C CB . LYS A 237 ? 0.5132 0.6365 0.7531 0.0092 -0.0513 -0.0163 929 LYS A CB \n1817 C CG . LYS A 237 ? 0.3792 0.5176 0.6348 0.0076 -0.0496 -0.0164 929 LYS A CG \n1818 C CD . LYS A 237 ? 0.7216 0.8580 0.9785 0.0033 -0.0558 -0.0131 929 LYS A CD \n1819 C CE . LYS A 237 ? 0.8811 1.0133 1.1438 0.0052 -0.0653 -0.0126 929 LYS A CE \n1820 N NZ . LYS A 237 ? 0.8529 0.9825 1.1168 0.0007 -0.0722 -0.0093 929 LYS A NZ \n1821 N N . GLY A 238 ? 0.3690 0.4731 0.5814 0.0135 -0.0443 -0.0187 930 GLY A N \n1822 C CA . GLY A 238 ? 0.4023 0.4936 0.6022 0.0142 -0.0462 -0.0182 930 GLY A CA \n1823 C C . GLY A 238 ? 0.4049 0.4849 0.5916 0.0107 -0.0484 -0.0151 930 GLY A C \n1824 O O . GLY A 238 ? 0.4413 0.5104 0.6172 0.0108 -0.0499 -0.0144 930 GLY A O \n1825 N N . GLU A 239 ? 0.3176 0.3997 0.5045 0.0074 -0.0486 -0.0133 931 GLU A N \n1826 C CA . GLU A 239 ? 0.3345 0.4052 0.5084 0.0043 -0.0509 -0.0106 931 GLU A CA \n1827 C C . GLU A 239 ? 0.2811 0.3485 0.4443 0.0032 -0.0447 -0.0103 931 GLU A C \n1828 O O . GLU A 239 ? 0.2834 0.3590 0.4505 0.0033 -0.0390 -0.0114 931 GLU A O \n1829 C CB . GLU A 239 ? 0.3812 0.4543 0.5582 0.0011 -0.0537 -0.0088 931 GLU A CB \n1830 C CG . GLU A 239 ? 0.5529 0.6132 0.7156 -0.0018 -0.0564 -0.0062 931 GLU A CG \n1831 C CD . GLU A 239 ? 0.7991 0.8607 0.9648 -0.0051 -0.0605 -0.0043 931 GLU A CD \n1832 O OE1 . GLU A 239 ? 0.5916 0.6628 0.7715 -0.0050 -0.0632 -0.0047 931 GLU A OE1 \n1833 O OE2 . GLU A 239 ? 0.6145 0.6674 0.7686 -0.0078 -0.0609 -0.0024 931 GLU A OE2 \n1834 N N . ARG A 240 ? 0.3370 0.3922 0.4871 0.0023 -0.0458 -0.0088 932 ARG A N \n1835 C CA . ARG A 240 ? 0.2919 0.3436 0.4323 0.0017 -0.0401 -0.0085 932 ARG A CA \n1836 C C . ARG A 240 ? 0.3610 0.4019 0.4887 -0.0006 -0.0412 -0.0063 932 ARG A C \n1837 O O . ARG A 240 ? 0.3586 0.3928 0.4831 -0.0017 -0.0468 -0.0050 932 ARG A O \n1838 C CB . ARG A 240 ? 0.2782 0.3264 0.4157 0.0038 -0.0389 -0.0094 932 ARG A CB \n1839 C CG . ARG A 240 ? 0.2771 0.3344 0.4244 0.0064 -0.0365 -0.0119 932 ARG A CG \n1840 C CD . ARG A 240 ? 0.2802 0.3471 0.4322 0.0060 -0.0307 -0.0128 932 ARG A CD \n1841 N NE . ARG A 240 ? 0.2848 0.3588 0.4443 0.0085 -0.0284 -0.0153 932 ARG A NE \n1842 C CZ . ARG A 240 ? 0.4712 0.5539 0.6418 0.0102 -0.0289 -0.0170 932 ARG A CZ \n1843 N NH1 . ARG A 240 ? 0.3682 0.4558 0.5437 0.0128 -0.0263 -0.0194 932 ARG A NH1 \n1844 N NH2 . ARG A 240 ? 0.2781 0.3644 0.4549 0.0092 -0.0320 -0.0164 932 ARG A NH2 \n1845 N N . LEU A 241 ? 0.3078 0.3466 0.4280 -0.0012 -0.0361 -0.0059 933 LEU A N \n1846 C CA . LEU A 241 ? 0.2899 0.3176 0.3970 -0.0027 -0.0364 -0.0041 933 LEU A CA \n1847 C C . LEU A 241 ? 0.3058 0.3227 0.4047 -0.0023 -0.0394 -0.0034 933 LEU A C \n1848 O O . LEU A 241 ? 0.3728 0.3908 0.4740 -0.0009 -0.0387 -0.0043 933 LEU A O \n1849 C CB . LEU A 241 ? 0.3298 0.3583 0.4320 -0.0027 -0.0300 -0.0042 933 LEU A CB \n1850 C CG . LEU A 241 ? 0.3165 0.3533 0.4242 -0.0035 -0.0275 -0.0046 933 LEU A CG \n1851 C CD1 . LEU A 241 ? 0.2743 0.3138 0.3803 -0.0028 -0.0215 -0.0051 933 LEU A CD1 \n1852 C CD2 . LEU A 241 ? 0.2660 0.2977 0.3685 -0.0057 -0.0305 -0.0031 933 LEU A CD2 \n1853 N N . PRO A 242 ? 0.3400 0.3455 0.4284 -0.0038 -0.0431 -0.0019 934 PRO A N \n1854 C CA . PRO A 242 ? 0.3738 0.3673 0.4527 -0.0040 -0.0467 -0.0010 934 PRO A CA \n1855 C C . PRO A 242 ? 0.3860 0.3737 0.4550 -0.0038 -0.0414 -0.0007 934 PRO A C \n1856 O O . PRO A 242 ? 0.3631 0.3536 0.4301 -0.0037 -0.0355 -0.0008 934 PRO A O \n1857 C CB . PRO A 242 ? 0.4855 0.4687 0.5552 -0.0060 -0.0515 0.0005 934 PRO A CB \n1858 C CG . PRO A 242 ? 0.4641 0.4511 0.5333 -0.0067 -0.0477 0.0006 934 PRO A CG \n1859 C CD . PRO A 242 ? 0.4178 0.4205 0.5020 -0.0057 -0.0444 -0.0008 934 PRO A CD \n1860 N N . GLN A 243 ? 0.3725 0.3520 0.4355 -0.0039 -0.0438 -0.0002 935 GLN A N \n1861 C CA . GLN A 243 ? 0.3597 0.3326 0.4125 -0.0044 -0.0391 0.0004 935 GLN A CA \n1862 C C . GLN A 243 ? 0.4123 0.3765 0.4521 -0.0055 -0.0361 0.0014 935 GLN A C \n1863 O O . GLN A 243 ? 0.4729 0.4268 0.5038 -0.0067 -0.0406 0.0024 935 GLN A O \n1864 C CB . GLN A 243 ? 0.4106 0.3739 0.4573 -0.0050 -0.0433 0.0010 935 GLN A CB \n1865 C CG . GLN A 243 ? 0.4792 0.4350 0.5146 -0.0062 -0.0384 0.0021 935 GLN A CG \n1866 C CD . GLN A 243 ? 0.5311 0.4771 0.5601 -0.0073 -0.0429 0.0029 935 GLN A CD \n1867 O OE1 . GLN A 243 ? 0.4912 0.4363 0.5251 -0.0066 -0.0498 0.0024 935 GLN A OE1 \n1868 N NE2 . GLN A 243 ? 0.4526 0.3909 0.4705 -0.0090 -0.0389 0.0041 935 GLN A NE2 \n1869 N N . PRO A 244 ? 0.4594 0.4274 0.4979 -0.0050 -0.0287 0.0012 936 PRO A N \n1870 C CA . PRO A 244 ? 0.5057 0.4650 0.5315 -0.0055 -0.0253 0.0020 936 PRO A CA \n1871 C C . PRO A 244 ? 0.4791 0.4243 0.4903 -0.0069 -0.0259 0.0032 936 PRO A C \n1872 O O . PRO A 244 ? 0.4662 0.4112 0.4781 -0.0074 -0.0254 0.0035 936 PRO A O \n1873 C CB . PRO A 244 ? 0.4335 0.4017 0.4640 -0.0042 -0.0175 0.0013 936 PRO A CB \n1874 C CG . PRO A 244 ? 0.4068 0.3886 0.4528 -0.0033 -0.0181 0.0001 936 PRO A CG \n1875 C CD . PRO A 244 ? 0.4467 0.4272 0.4960 -0.0038 -0.0236 0.0002 936 PRO A CD \n1876 N N . PRO A 245 ? 0.5087 0.4411 0.5060 -0.0077 -0.0275 0.0040 937 PRO A N \n1877 C CA . PRO A 245 ? 0.5432 0.4601 0.5243 -0.0094 -0.0283 0.0052 937 PRO A CA \n1878 C C . PRO A 245 ? 0.5480 0.4646 0.5246 -0.0098 -0.0208 0.0056 937 PRO A C \n1879 O O . PRO A 245 ? 0.5174 0.4251 0.4857 -0.0116 -0.0221 0.0066 937 PRO A O \n1880 C CB . PRO A 245 ? 0.6300 0.5356 0.5977 -0.0096 -0.0290 0.0056 937 PRO A CB \n1881 C CG . PRO A 245 ? 0.6278 0.5407 0.6057 -0.0090 -0.0335 0.0050 937 PRO A CG \n1882 C CD . PRO A 245 ? 0.5241 0.4550 0.5202 -0.0076 -0.0303 0.0038 937 PRO A CD \n1883 N N . ILE A 246 ? 0.4624 0.3885 0.4447 -0.0082 -0.0132 0.0048 938 ILE A N \n1884 C CA . ILE A 246 ? 0.5111 0.4384 0.4909 -0.0087 -0.0057 0.0053 938 ILE A CA \n1885 C C . ILE A 246 ? 0.4991 0.4352 0.4899 -0.0094 -0.0059 0.0055 938 ILE A C \n1886 O O . ILE A 246 ? 0.5462 0.4816 0.5341 -0.0108 -0.0012 0.0064 938 ILE A O \n1887 C CB . ILE A 246 ? 0.4503 0.3843 0.4324 -0.0066 0.0023 0.0045 938 ILE A CB \n1888 C CG1 . ILE A 246 ? 0.4676 0.4175 0.4670 -0.0048 0.0028 0.0033 938 ILE A CG1 \n1889 C CG2 . ILE A 246 ? 0.4951 0.4185 0.4642 -0.0056 0.0030 0.0042 938 ILE A CG2 \n1890 C CD1 . ILE A 246 ? 0.4473 0.4052 0.4513 -0.0028 0.0106 0.0027 938 ILE A CD1 \n1891 N N . CYS A 247 ? 0.4487 0.3927 0.4517 -0.0087 -0.0111 0.0047 939 CYS A N \n1892 C CA . CYS A 247 ? 0.4063 0.3590 0.4199 -0.0088 -0.0109 0.0046 939 CYS A CA \n1893 C C . CYS A 247 ? 0.4783 0.4225 0.4869 -0.0106 -0.0163 0.0055 939 CYS A C \n1894 O O . CYS A 247 ? 0.4223 0.3602 0.4285 -0.0107 -0.0235 0.0054 939 CYS A O \n1895 C CB . CYS A 247 ? 0.4085 0.3738 0.4375 -0.0069 -0.0134 0.0030 939 CYS A CB \n1896 S SG . CYS A 247 ? 0.4672 0.4438 0.5041 -0.0049 -0.0079 0.0019 939 CYS A SG \n1897 N N . THR A 248 ? 0.4268 0.3711 0.4347 -0.0122 -0.0135 0.0064 940 THR A N \n1898 C CA . THR A 248 ? 0.4738 0.4124 0.4804 -0.0135 -0.0195 0.0069 940 THR A CA \n1899 C C . THR A 248 ? 0.4529 0.4015 0.4741 -0.0112 -0.0242 0.0052 940 THR A C \n1900 O O . THR A 248 ? 0.4292 0.3897 0.4614 -0.0092 -0.0214 0.0039 940 THR A O \n1901 C CB . THR A 248 ? 0.4720 0.4094 0.4756 -0.0160 -0.0157 0.0083 940 THR A CB \n1902 O OG1 . THR A 248 ? 0.5134 0.4647 0.5296 -0.0150 -0.0107 0.0077 940 THR A OG1 \n1903 C CG2 . THR A 248 ? 0.5448 0.4722 0.5334 -0.0186 -0.0103 0.0101 940 THR A CG2 \n1904 N N . ILE A 249 ? 0.4422 0.3856 0.4634 -0.0113 -0.0311 0.0051 941 ILE A N \n1905 C CA . ILE A 249 ? 0.4685 0.4208 0.5033 -0.0088 -0.0354 0.0033 941 ILE A CA \n1906 C C . ILE A 249 ? 0.3739 0.3375 0.4188 -0.0080 -0.0310 0.0025 941 ILE A C \n1907 O O . ILE A 249 ? 0.4088 0.3826 0.4655 -0.0055 -0.0315 0.0006 941 ILE A O \n1908 C CB . ILE A 249 ? 0.5309 0.4744 0.5633 -0.0086 -0.0441 0.0032 941 ILE A CB \n1909 C CG1 . ILE A 249 ? 0.5203 0.4730 0.5671 -0.0052 -0.0487 0.0009 941 ILE A CG1 \n1910 C CG2 . ILE A 249 ? 0.4799 0.4164 0.5060 -0.0108 -0.0446 0.0044 941 ILE A CG2 \n1911 C CD1 . ILE A 249 ? 0.5661 0.5217 0.6170 -0.0039 -0.0513 0.0002 941 ILE A CD1 \n1912 N N . ASP A 250 ? 0.4504 0.4121 0.4907 -0.0103 -0.0267 0.0039 942 ASP A N \n1913 C CA . ASP A 250 ? 0.4483 0.4198 0.4973 -0.0101 -0.0227 0.0036 942 ASP A CA \n1914 C C . ASP A 250 ? 0.4059 0.3893 0.4639 -0.0082 -0.0180 0.0024 942 ASP A C \n1915 O O . ASP A 250 ? 0.3842 0.3769 0.4524 -0.0066 -0.0176 0.0010 942 ASP A O \n1916 C CB . ASP A 250 ? 0.4351 0.4026 0.4771 -0.0135 -0.0182 0.0058 942 ASP A CB \n1917 C CG . ASP A 250 ? 0.7314 0.6852 0.7615 -0.0162 -0.0222 0.0075 942 ASP A CG \n1918 O OD1 . ASP A 250 ? 0.7083 0.6600 0.7396 -0.0171 -0.0256 0.0077 942 ASP A OD1 \n1919 O OD2 . ASP A 250 ? 0.7888 0.7329 0.8076 -0.0175 -0.0225 0.0085 942 ASP A OD2 \n1920 N N . VAL A 251 ? 0.3904 0.3725 0.4435 -0.0084 -0.0145 0.0029 943 VAL A N \n1921 C CA . VAL A 251 ? 0.4005 0.3923 0.4606 -0.0067 -0.0103 0.0019 943 VAL A CA \n1922 C C . VAL A 251 ? 0.3956 0.3920 0.4626 -0.0045 -0.0144 0.0001 943 VAL A C \n1923 O O . VAL A 251 ? 0.3553 0.3615 0.4318 -0.0030 -0.0130 -0.0011 943 VAL A O \n1924 C CB . VAL A 251 ? 0.4723 0.4608 0.5246 -0.0073 -0.0053 0.0028 943 VAL A CB \n1925 C CG1 . VAL A 251 ? 0.4211 0.4182 0.4801 -0.0053 -0.0025 0.0017 943 VAL A CG1 \n1926 C CG2 . VAL A 251 ? 0.4546 0.4418 0.5030 -0.0094 0.0000 0.0045 943 VAL A CG2 \n1927 N N . TYR A 252 ? 0.3898 0.3791 0.4520 -0.0044 -0.0194 0.0001 944 TYR A N \n1928 C CA . TYR A 252 ? 0.3769 0.3711 0.4468 -0.0026 -0.0235 -0.0013 944 TYR A CA \n1929 C C . TYR A 252 ? 0.3481 0.3498 0.4287 -0.0009 -0.0257 -0.0030 944 TYR A C \n1930 O O . TYR A 252 ? 0.3501 0.3607 0.4398 0.0006 -0.0255 -0.0045 944 TYR A O \n1931 C CB . TYR A 252 ? 0.3798 0.3645 0.4429 -0.0031 -0.0292 -0.0007 944 TYR A CB \n1932 C CG . TYR A 252 ? 0.3995 0.3896 0.4709 -0.0017 -0.0333 -0.0019 944 TYR A CG \n1933 C CD1 . TYR A 252 ? 0.4645 0.4512 0.5382 -0.0011 -0.0404 -0.0023 944 TYR A CD1 \n1934 C CD2 . TYR A 252 ? 0.3556 0.3542 0.4328 -0.0011 -0.0303 -0.0026 944 TYR A CD2 \n1935 C CE1 . TYR A 252 ? 0.4129 0.4057 0.4955 0.0000 -0.0440 -0.0033 944 TYR A CE1 \n1936 C CE2 . TYR A 252 ? 0.3535 0.3574 0.4384 -0.0004 -0.0338 -0.0035 944 TYR A CE2 \n1937 C CZ . TYR A 252 ? 0.3918 0.3934 0.4799 0.0000 -0.0404 -0.0038 944 TYR A CZ \n1938 O OH . TYR A 252 ? 0.3729 0.3809 0.4701 0.0006 -0.0436 -0.0045 944 TYR A OH \n1939 N N . MET A 253 ? 0.3341 0.3315 0.4130 -0.0013 -0.0277 -0.0027 945 MET A N \n1940 C CA . MET A 253 ? 0.3745 0.3777 0.4624 0.0005 -0.0298 -0.0045 945 MET A CA \n1941 C C . MET A 253 ? 0.4277 0.4414 0.5232 0.0013 -0.0248 -0.0055 945 MET A C \n1942 O O . MET A 253 ? 0.3191 0.3397 0.4229 0.0034 -0.0257 -0.0074 945 MET A O \n1943 C CB . MET A 253 ? 0.4580 0.4539 0.5413 -0.0002 -0.0324 -0.0038 945 MET A CB \n1944 C CG . MET A 253 ? 0.6840 0.6707 0.7634 0.0001 -0.0396 -0.0038 945 MET A CG \n1945 S SD . MET A 253 ? 0.8264 0.8198 0.9181 0.0042 -0.0448 -0.0067 945 MET A SD \n1946 C CE . MET A 253 ? 0.3997 0.3933 0.4910 0.0038 -0.0461 -0.0062 945 MET A CE \n1947 N N . ILE A 254 ? 0.3490 0.3635 0.4413 -0.0003 -0.0197 -0.0041 946 ILE A N \n1948 C CA . ILE A 254 ? 0.3593 0.3830 0.4583 0.0002 -0.0157 -0.0049 946 ILE A CA \n1949 C C . ILE A 254 ? 0.2666 0.2970 0.3711 0.0016 -0.0151 -0.0063 946 ILE A C \n1950 O O . ILE A 254 ? 0.2907 0.3281 0.4023 0.0029 -0.0146 -0.0079 946 ILE A O \n1951 C CB . ILE A 254 ? 0.4030 0.4269 0.4986 -0.0015 -0.0104 -0.0032 946 ILE A CB \n1952 C CG1 . ILE A 254 ? 0.4918 0.5097 0.5824 -0.0036 -0.0105 -0.0015 946 ILE A CG1 \n1953 C CG2 . ILE A 254 ? 0.4208 0.4537 0.5237 -0.0009 -0.0071 -0.0039 946 ILE A CG2 \n1954 C CD1 . ILE A 254 ? 0.4936 0.5123 0.5817 -0.0055 -0.0050 0.0002 946 ILE A CD1 \n1955 N N . MET A 255 ? 0.2721 0.2998 0.3724 0.0011 -0.0150 -0.0055 947 MET A N \n1956 C CA . MET A 255 ? 0.3375 0.3705 0.4419 0.0018 -0.0148 -0.0064 947 MET A CA \n1957 C C . MET A 255 ? 0.3105 0.3476 0.4224 0.0034 -0.0187 -0.0082 947 MET A C \n1958 O O . MET A 255 ? 0.3151 0.3602 0.4341 0.0042 -0.0174 -0.0095 947 MET A O \n1959 C CB . MET A 255 ? 0.3529 0.3795 0.4500 0.0009 -0.0158 -0.0052 947 MET A CB \n1960 C CG . MET A 255 ? 0.4305 0.4561 0.5225 0.0002 -0.0111 -0.0042 947 MET A CG \n1961 S SD . MET A 255 ? 0.4945 0.5092 0.5749 -0.0007 -0.0128 -0.0029 947 MET A SD \n1962 C CE . MET A 255 ? 0.4628 0.4691 0.5341 -0.0018 -0.0106 -0.0014 947 MET A CE \n1963 N N . VAL A 256 ? 0.3054 0.3368 0.4157 0.0038 -0.0232 -0.0081 948 VAL A N \n1964 C CA . VAL A 256 ? 0.3051 0.3404 0.4234 0.0058 -0.0272 -0.0099 948 VAL A CA \n1965 C C . VAL A 256 ? 0.2706 0.3128 0.3961 0.0076 -0.0255 -0.0119 948 VAL A C \n1966 O O . VAL A 256 ? 0.2795 0.3292 0.4130 0.0091 -0.0254 -0.0137 948 VAL A O \n1967 C CB . VAL A 256 ? 0.3994 0.4260 0.5141 0.0061 -0.0333 -0.0095 948 VAL A CB \n1968 C CG1 . VAL A 256 ? 0.3537 0.3849 0.4780 0.0089 -0.0372 -0.0116 948 VAL A CG1 \n1969 C CG2 . VAL A 256 ? 0.3693 0.3897 0.4779 0.0045 -0.0357 -0.0078 948 VAL A CG2 \n1970 N N . LYS A 257 ? 0.2985 0.3381 0.4208 0.0072 -0.0240 -0.0116 949 LYS A N \n1971 C CA . LYS A 257 ? 0.2857 0.3302 0.4128 0.0086 -0.0223 -0.0132 949 LYS A CA \n1972 C C . LYS A 257 ? 0.2561 0.3089 0.3874 0.0085 -0.0179 -0.0140 949 LYS A C \n1973 O O . LYS A 257 ? 0.2417 0.2999 0.3785 0.0102 -0.0172 -0.0160 949 LYS A O \n1974 C CB . LYS A 257 ? 0.3346 0.3740 0.4567 0.0074 -0.0217 -0.0121 949 LYS A CB \n1975 C CG . LYS A 257 ? 0.5919 0.6226 0.7095 0.0075 -0.0263 -0.0116 949 LYS A CG \n1976 C CD . LYS A 257 ? 0.6076 0.6343 0.7210 0.0057 -0.0255 -0.0104 949 LYS A CD \n1977 C CE . LYS A 257 ? 1.0073 1.0237 1.1137 0.0046 -0.0296 -0.0091 949 LYS A CE \n1978 N NZ . LYS A 257 ? 1.1220 1.1348 1.2242 0.0021 -0.0284 -0.0074 949 LYS A NZ \n1979 N N . CYS A 258 ? 0.2615 0.3145 0.3894 0.0066 -0.0151 -0.0124 950 CYS A N \n1980 C CA . CYS A 258 ? 0.1891 0.2487 0.3199 0.0062 -0.0115 -0.0129 950 CYS A CA \n1981 C C . CYS A 258 ? 0.2333 0.2987 0.3699 0.0070 -0.0121 -0.0143 950 CYS A C \n1982 O O . CYS A 258 ? 0.2581 0.3292 0.3977 0.0068 -0.0095 -0.0151 950 CYS A O \n1983 C CB . CYS A 258 ? 0.1817 0.2394 0.3076 0.0044 -0.0092 -0.0110 950 CYS A CB \n1984 S SG . CYS A 258 ? 0.2879 0.3421 0.4095 0.0033 -0.0067 -0.0094 950 CYS A SG \n1985 N N . TRP A 259 ? 0.2685 0.3323 0.4065 0.0076 -0.0156 -0.0143 951 TRP A N \n1986 C CA . TRP A 259 ? 0.2500 0.3201 0.3947 0.0080 -0.0163 -0.0154 951 TRP A CA \n1987 C C . TRP A 259 ? 0.2550 0.3290 0.4074 0.0106 -0.0185 -0.0176 951 TRP A C \n1988 O O . TRP A 259 ? 0.2780 0.3568 0.4371 0.0111 -0.0200 -0.0183 951 TRP A O \n1989 C CB . TRP A 259 ? 0.3021 0.3690 0.4443 0.0064 -0.0189 -0.0137 951 TRP A CB \n1990 C CG . TRP A 259 ? 0.2727 0.3348 0.4067 0.0043 -0.0170 -0.0117 951 TRP A CG \n1991 C CD1 . TRP A 259 ? 0.2509 0.3154 0.3830 0.0034 -0.0129 -0.0114 951 TRP A CD1 \n1992 C CD2 . TRP A 259 ? 0.2855 0.3392 0.4118 0.0032 -0.0192 -0.0099 951 TRP A CD2 \n1993 N NE1 . TRP A 259 ? 0.2531 0.3118 0.3778 0.0021 -0.0125 -0.0097 951 TRP A NE1 \n1994 C CE2 . TRP A 259 ? 0.3042 0.3560 0.4247 0.0019 -0.0160 -0.0088 951 TRP A CE2 \n1995 C CE3 . TRP A 259 ? 0.2200 0.2668 0.3433 0.0032 -0.0239 -0.0092 951 TRP A CE3 \n1996 C CZ2 . TRP A 259 ? 0.3191 0.3625 0.4305 0.0009 -0.0166 -0.0072 951 TRP A CZ2 \n1997 C CZ3 . TRP A 259 ? 0.2888 0.3267 0.4024 0.0018 -0.0248 -0.0074 951 TRP A CZ3 \n1998 C CH2 . TRP A 259 ? 0.2702 0.3065 0.3777 0.0008 -0.0208 -0.0065 951 TRP A CH2 \n1999 N N . MET A 260 ? 0.2803 0.3524 0.4324 0.0124 -0.0186 -0.0188 952 MET A N \n2000 C CA . MET A 260 ? 0.3206 0.3962 0.4796 0.0156 -0.0199 -0.0215 952 MET A CA \n2001 C C . MET A 260 ? 0.3135 0.3985 0.4790 0.0163 -0.0160 -0.0234 952 MET A C \n2002 O O . MET A 260 ? 0.2052 0.2924 0.3682 0.0147 -0.0120 -0.0232 952 MET A O \n2003 C CB . MET A 260 ? 0.3027 0.3728 0.4581 0.0171 -0.0209 -0.0222 952 MET A CB \n2004 C CG . MET A 260 ? 0.3817 0.4426 0.5316 0.0166 -0.0254 -0.0206 952 MET A CG \n2005 S SD . MET A 260 ? 0.5691 0.6234 0.7152 0.0182 -0.0273 -0.0215 952 MET A SD \n2006 C CE . MET A 260 ? 0.5642 0.6158 0.7029 0.0147 -0.0235 -0.0192 952 MET A CE \n2007 N N . ILE A 261 ? 0.2444 0.3353 0.4187 0.0186 -0.0171 -0.0253 953 ILE A N \n2008 C CA . ILE A 261 ? 0.2464 0.3464 0.4268 0.0192 -0.0127 -0.0273 953 ILE A CA \n2009 C C . ILE A 261 ? 0.2375 0.3371 0.4148 0.0204 -0.0091 -0.0291 953 ILE A C \n2010 O O . ILE A 261 ? 0.2538 0.3575 0.4301 0.0190 -0.0046 -0.0296 953 ILE A O \n2011 C CB . ILE A 261 ? 0.2516 0.3585 0.4435 0.0220 -0.0145 -0.0293 953 ILE A CB \n2012 C CG1 . ILE A 261 ? 0.4279 0.5360 0.6233 0.0200 -0.0180 -0.0271 953 ILE A CG1 \n2013 C CG2 . ILE A 261 ? 0.3298 0.4464 0.5282 0.0231 -0.0092 -0.0317 953 ILE A CG2 \n2014 C CD1 . ILE A 261 ? 0.4645 0.5735 0.6556 0.0155 -0.0158 -0.0247 953 ILE A CD1 \n2015 N N . ASP A 262 ? 0.2799 0.3733 0.4543 0.0228 -0.0116 -0.0301 954 ASP A N \n2016 C CA . ASP A 262 ? 0.2390 0.3298 0.4090 0.0239 -0.0094 -0.0316 954 ASP A CA \n2017 C C . ASP A 262 ? 0.2746 0.3605 0.4362 0.0205 -0.0083 -0.0292 954 ASP A C \n2018 O O . ASP A 262 ? 0.2880 0.3672 0.4450 0.0196 -0.0111 -0.0274 954 ASP A O \n2019 C CB . ASP A 262 ? 0.2858 0.3706 0.4551 0.0273 -0.0132 -0.0332 954 ASP A CB \n2020 C CG . ASP A 262 ? 0.4764 0.5571 0.6404 0.0284 -0.0118 -0.0348 954 ASP A CG \n2021 O OD1 . ASP A 262 ? 0.4484 0.5227 0.6102 0.0308 -0.0153 -0.0358 954 ASP A OD1 \n2022 O OD2 . ASP A 262 ? 0.5374 0.6203 0.6986 0.0268 -0.0077 -0.0349 954 ASP A OD2 \n2023 N N . ALA A 263 ? 0.2199 0.3094 0.3801 0.0186 -0.0042 -0.0291 955 ALA A N \n2024 C CA . ALA A 263 ? 0.2677 0.3534 0.4211 0.0155 -0.0033 -0.0268 955 ALA A CA \n2025 C C . ALA A 263 ? 0.2579 0.3369 0.4063 0.0158 -0.0049 -0.0266 955 ALA A C \n2026 O O . ALA A 263 ? 0.2919 0.3671 0.4362 0.0136 -0.0056 -0.0242 955 ALA A O \n2027 C CB . ALA A 263 ? 0.2795 0.3694 0.4320 0.0137 0.0007 -0.0271 955 ALA A CB \n2028 N N . ASP A 264 ? 0.2626 0.3402 0.4112 0.0185 -0.0052 -0.0292 956 ASP A N \n2029 C CA . ASP A 264 ? 0.3762 0.4467 0.5199 0.0189 -0.0074 -0.0292 956 ASP A CA \n2030 C C . ASP A 264 ? 0.4501 0.5148 0.5924 0.0187 -0.0116 -0.0275 956 ASP A C \n2031 O O . ASP A 264 ? 0.4075 0.4664 0.5452 0.0174 -0.0134 -0.0261 956 ASP A O \n2032 C CB . ASP A 264 ? 0.3350 0.4043 0.4784 0.0223 -0.0071 -0.0326 956 ASP A CB \n2033 C CG . ASP A 264 ? 0.3851 0.4571 0.5264 0.0217 -0.0030 -0.0340 956 ASP A CG \n2034 O OD1 . ASP A 264 ? 0.3800 0.4508 0.5174 0.0186 -0.0021 -0.0321 956 ASP A OD1 \n2035 O OD2 . ASP A 264 ? 0.3627 0.4378 0.5062 0.0245 -0.0007 -0.0371 956 ASP A OD2 \n2036 N N . SER A 265 ? 0.2736 0.3397 0.4196 0.0198 -0.0134 -0.0274 957 SER A N \n2037 C CA . SER A 265 ? 0.3603 0.4200 0.5038 0.0193 -0.0175 -0.0256 957 SER A CA \n2038 C C . SER A 265 ? 0.3157 0.3738 0.4558 0.0157 -0.0170 -0.0223 957 SER A C \n2039 O O . SER A 265 ? 0.3095 0.3614 0.4457 0.0146 -0.0197 -0.0205 957 SER A O \n2040 C CB . SER A 265 ? 0.4242 0.4844 0.5724 0.0222 -0.0206 -0.0271 957 SER A CB \n2041 O OG . SER A 265 ? 0.5549 0.6137 0.7048 0.0260 -0.0221 -0.0302 957 SER A OG \n2042 N N . ARG A 266 ? 0.2434 0.3067 0.3846 0.0140 -0.0135 -0.0214 958 ARG A N \n2043 C CA . ARG A 266 ? 0.2160 0.2783 0.3543 0.0113 -0.0126 -0.0187 958 ARG A CA \n2044 C C . ARG A 266 ? 0.2676 0.3259 0.4016 0.0094 -0.0122 -0.0170 958 ARG A C \n2045 O O . ARG A 266 ? 0.3145 0.3727 0.4485 0.0098 -0.0120 -0.0180 958 ARG A O \n2046 C CB . ARG A 266 ? 0.2130 0.2811 0.3528 0.0101 -0.0092 -0.0185 958 ARG A CB \n2047 C CG . ARG A 266 ? 0.2621 0.3349 0.4066 0.0111 -0.0094 -0.0196 958 ARG A CG \n2048 C CD . ARG A 266 ? 0.1952 0.2733 0.3407 0.0096 -0.0062 -0.0194 958 ARG A CD \n2049 N NE . ARG A 266 ? 0.2241 0.3079 0.3757 0.0107 -0.0063 -0.0210 958 ARG A NE \n2050 C CZ . ARG A 266 ? 0.2250 0.3146 0.3791 0.0100 -0.0034 -0.0218 958 ARG A CZ \n2051 N NH1 . ARG A 266 ? 0.2396 0.3349 0.4001 0.0109 -0.0033 -0.0232 958 ARG A NH1 \n2052 N NH2 . ARG A 266 ? 0.2306 0.3203 0.3809 0.0082 -0.0007 -0.0212 958 ARG A NH2 \n2053 N N . PRO A 267 ? 0.2599 0.3150 0.3904 0.0072 -0.0119 -0.0144 959 PRO A N \n2054 C CA . PRO A 267 ? 0.3095 0.3622 0.4373 0.0050 -0.0110 -0.0125 959 PRO A CA \n2055 C C . PRO A 267 ? 0.3162 0.3736 0.4461 0.0044 -0.0083 -0.0126 959 PRO A C \n2056 O O . PRO A 267 ? 0.3135 0.3754 0.4453 0.0050 -0.0065 -0.0135 959 PRO A O \n2057 C CB . PRO A 267 ? 0.2857 0.3361 0.4101 0.0032 -0.0098 -0.0101 959 PRO A CB \n2058 C CG . PRO A 267 ? 0.3652 0.4136 0.4887 0.0044 -0.0119 -0.0108 959 PRO A CG \n2059 C CD . PRO A 267 ? 0.2628 0.3169 0.3916 0.0065 -0.0120 -0.0132 959 PRO A CD \n2060 N N . LYS A 268 ? 0.3090 0.3651 0.4384 0.0029 -0.0083 -0.0114 960 LYS A N \n2061 C CA . LYS A 268 ? 0.3243 0.3840 0.4554 0.0019 -0.0063 -0.0110 960 LYS A CA \n2062 C C . LYS A 268 ? 0.3373 0.3984 0.4687 0.0001 -0.0040 -0.0085 960 LYS A C \n2063 O O . LYS A 268 ? 0.2986 0.3569 0.4281 -0.0009 -0.0039 -0.0069 960 LYS A O \n2064 C CB . LYS A 268 ? 0.3460 0.4037 0.4770 0.0013 -0.0082 -0.0112 960 LYS A CB \n2065 C CG . LYS A 268 ? 0.3999 0.4549 0.5296 0.0035 -0.0104 -0.0138 960 LYS A CG \n2066 C CD . LYS A 268 ? 0.4113 0.4702 0.5422 0.0052 -0.0087 -0.0162 960 LYS A CD \n2067 C CE . LYS A 268 ? 0.5469 0.6043 0.6777 0.0081 -0.0101 -0.0190 960 LYS A CE \n2068 N NZ . LYS A 268 ? 0.6675 0.7196 0.7954 0.0087 -0.0127 -0.0200 960 LYS A NZ \n2069 N N . PHE A 269 ? 0.2494 0.3142 0.3827 -0.0001 -0.0022 -0.0083 961 PHE A N \n2070 C CA . PHE A 269 ? 0.2747 0.3411 0.4089 -0.0010 0.0001 -0.0063 961 PHE A CA \n2071 C C . PHE A 269 ? 0.2178 0.2830 0.3531 -0.0030 0.0000 -0.0042 961 PHE A C \n2072 O O . PHE A 269 ? 0.2735 0.3384 0.4082 -0.0038 0.0020 -0.0026 961 PHE A O \n2073 C CB . PHE A 269 ? 0.3546 0.4246 0.4908 -0.0008 0.0013 -0.0065 961 PHE A CB \n2074 C CG . PHE A 269 ? 0.2468 0.3177 0.3813 0.0003 0.0022 -0.0077 961 PHE A CG \n2075 C CD1 . PHE A 269 ? 0.2357 0.3056 0.3680 0.0006 0.0035 -0.0072 961 PHE A CD1 \n2076 C CD2 . PHE A 269 ? 0.2366 0.3090 0.3711 0.0006 0.0016 -0.0093 961 PHE A CD2 \n2077 C CE1 . PHE A 269 ? 0.2628 0.3330 0.3934 0.0013 0.0037 -0.0081 961 PHE A CE1 \n2078 C CE2 . PHE A 269 ? 0.2751 0.3487 0.4084 0.0011 0.0024 -0.0101 961 PHE A CE2 \n2079 C CZ . PHE A 269 ? 0.2538 0.3264 0.3854 0.0014 0.0032 -0.0095 961 PHE A CZ \n2080 N N . ARG A 270 ? 0.2391 0.3031 0.3755 -0.0038 -0.0024 -0.0043 962 ARG A N \n2081 C CA . ARG A 270 ? 0.3437 0.4070 0.4819 -0.0063 -0.0029 -0.0020 962 ARG A CA \n2082 C C . ARG A 270 ? 0.3871 0.4461 0.5214 -0.0071 -0.0030 -0.0010 962 ARG A C \n2083 O O . ARG A 270 ? 0.3710 0.4300 0.5056 -0.0092 -0.0011 0.0012 962 ARG A O \n2084 C CB . ARG A 270 ? 0.3955 0.4569 0.5343 -0.0072 -0.0064 -0.0023 962 ARG A CB \n2085 C CG . ARG A 270 ? 0.5484 0.6044 0.6829 -0.0060 -0.0095 -0.0042 962 ARG A CG \n2086 C CD . ARG A 270 ? 0.8560 0.9103 0.9896 -0.0052 -0.0120 -0.0061 962 ARG A CD \n2087 N NE . ARG A 270 ? 0.7125 0.7695 0.8458 -0.0029 -0.0105 -0.0084 962 ARG A NE \n2088 C CZ . ARG A 270 ? 0.7541 0.8091 0.8848 -0.0013 -0.0117 -0.0109 962 ARG A CZ \n2089 N NH1 . ARG A 270 ? 0.9286 0.9782 1.0565 -0.0012 -0.0148 -0.0117 962 ARG A NH1 \n2090 N NH2 . ARG A 270 ? 0.6233 0.6812 0.7538 0.0000 -0.0097 -0.0127 962 ARG A NH2 \n2091 N N . GLU A 271 ? 0.3289 0.3840 0.4593 -0.0055 -0.0050 -0.0029 963 GLU A N \n2092 C CA . GLU A 271 ? 0.3474 0.3970 0.4731 -0.0060 -0.0060 -0.0023 963 GLU A CA \n2093 C C . GLU A 271 ? 0.3406 0.3903 0.4640 -0.0062 -0.0028 -0.0012 963 GLU A C \n2094 O O . GLU A 271 ? 0.3190 0.3645 0.4385 -0.0079 -0.0024 0.0004 963 GLU A O \n2095 C CB . GLU A 271 ? 0.4203 0.4665 0.5439 -0.0036 -0.0094 -0.0048 963 GLU A CB \n2096 C CG . GLU A 271 ? 0.4469 0.4906 0.5707 -0.0033 -0.0128 -0.0059 963 GLU A CG \n2097 C CD . GLU A 271 ? 0.7105 0.7524 0.8336 0.0000 -0.0152 -0.0090 963 GLU A CD \n2098 O OE1 . GLU A 271 ? 0.6586 0.6971 0.7806 0.0006 -0.0181 -0.0102 963 GLU A OE1 \n2099 O OE2 . GLU A 271 ? 0.4681 0.5120 0.5919 0.0017 -0.0144 -0.0102 963 GLU A OE2 \n2100 N N . LEU A 272 ? 0.2611 0.3145 0.3858 -0.0044 -0.0008 -0.0023 964 LEU A N \n2101 C CA . LEU A 272 ? 0.2754 0.3278 0.3969 -0.0042 0.0017 -0.0016 964 LEU A CA \n2102 C C . LEU A 272 ? 0.2718 0.3264 0.3945 -0.0058 0.0057 0.0005 964 LEU A C \n2103 O O . LEU A 272 ? 0.3063 0.3577 0.4245 -0.0067 0.0079 0.0017 964 LEU A O \n2104 C CB . LEU A 272 ? 0.2685 0.3240 0.3911 -0.0021 0.0022 -0.0033 964 LEU A CB \n2105 C CG . LEU A 272 ? 0.3034 0.3578 0.4255 -0.0005 -0.0008 -0.0053 964 LEU A CG \n2106 C CD1 . LEU A 272 ? 0.3016 0.3607 0.4264 0.0006 0.0000 -0.0067 964 LEU A CD1 \n2107 C CD2 . LEU A 272 ? 0.2926 0.3414 0.4095 -0.0005 -0.0021 -0.0050 964 LEU A CD2 \n2108 N N . ILE A 273 ? 0.2961 0.3559 0.4248 -0.0063 0.0064 0.0009 965 ILE A N \n2109 C CA . ILE A 273 ? 0.2701 0.3332 0.4021 -0.0078 0.0100 0.0030 965 ILE A CA \n2110 C C . ILE A 273 ? 0.3250 0.3842 0.4538 -0.0106 0.0104 0.0051 965 ILE A C \n2111 O O . ILE A 273 ? 0.3911 0.4495 0.5175 -0.0116 0.0142 0.0065 965 ILE A O \n2112 C CB . ILE A 273 ? 0.2521 0.3210 0.3919 -0.0082 0.0093 0.0034 965 ILE A CB \n2113 C CG1 . ILE A 273 ? 0.2574 0.3297 0.3996 -0.0058 0.0092 0.0017 965 ILE A CG1 \n2114 C CG2 . ILE A 273 ? 0.2484 0.3215 0.3932 -0.0100 0.0128 0.0058 965 ILE A CG2 \n2115 C CD1 . ILE A 273 ? 0.3097 0.3854 0.4576 -0.0062 0.0069 0.0017 965 ILE A CD1 \n2116 N N . ILE A 274 ? 0.3145 0.3705 0.4426 -0.0120 0.0064 0.0051 966 ILE A N \n2117 C CA . ILE A 274 ? 0.3621 0.4132 0.4865 -0.0152 0.0060 0.0072 966 ILE A CA \n2118 C C . ILE A 274 ? 0.4114 0.4557 0.5270 -0.0153 0.0067 0.0074 966 ILE A C \n2119 O O . ILE A 274 ? 0.3448 0.3869 0.4570 -0.0177 0.0098 0.0094 966 ILE A O \n2120 C CB . ILE A 274 ? 0.4227 0.4703 0.5470 -0.0164 0.0007 0.0070 966 ILE A CB \n2121 C CG1 . ILE A 274 ? 0.3830 0.4364 0.5150 -0.0171 0.0000 0.0074 966 ILE A CG1 \n2122 C CG2 . ILE A 274 ? 0.4307 0.4716 0.5495 -0.0198 -0.0004 0.0091 966 ILE A CG2 \n2123 C CD1 . ILE A 274 ? 0.4417 0.4913 0.5731 -0.0174 -0.0053 0.0066 966 ILE A CD1 \n2124 N N . GLU A 275 ? 0.3273 0.3680 0.4393 -0.0128 0.0039 0.0052 967 GLU A N \n2125 C CA . GLU A 275 ? 0.3401 0.3732 0.4434 -0.0129 0.0034 0.0053 967 GLU A CA \n2126 C C . GLU A 275 ? 0.3016 0.3348 0.4016 -0.0127 0.0083 0.0061 967 GLU A C \n2127 O O . GLU A 275 ? 0.3567 0.3836 0.4491 -0.0147 0.0099 0.0076 967 GLU A O \n2128 C CB . GLU A 275 ? 0.3336 0.3639 0.4355 -0.0101 -0.0010 0.0029 967 GLU A CB \n2129 C CG . GLU A 275 ? 0.4927 0.5139 0.5857 -0.0106 -0.0032 0.0033 967 GLU A CG \n2130 C CD . GLU A 275 ? 0.8241 0.8413 0.9166 -0.0087 -0.0092 0.0014 967 GLU A CD \n2131 O OE1 . GLU A 275 ? 0.8806 0.9030 0.9795 -0.0065 -0.0108 -0.0005 967 GLU A OE1 \n2132 O OE2 . GLU A 275 ? 0.8694 0.8780 0.9547 -0.0094 -0.0123 0.0019 967 GLU A OE2 \n2133 N N . PHE A 276 ? 0.2700 0.3091 0.3742 -0.0104 0.0107 0.0050 968 PHE A N \n2134 C CA . PHE A 276 ? 0.2664 0.3049 0.3669 -0.0099 0.0153 0.0054 968 PHE A CA \n2135 C C . PHE A 276 ? 0.3036 0.3451 0.4061 -0.0119 0.0205 0.0075 968 PHE A C \n2136 O O . PHE A 276 ? 0.3829 0.4212 0.4795 -0.0122 0.0247 0.0084 968 PHE A O \n2137 C CB . PHE A 276 ? 0.3189 0.3618 0.4227 -0.0069 0.0161 0.0037 968 PHE A CB \n2138 C CG . PHE A 276 ? 0.2844 0.3229 0.3836 -0.0053 0.0126 0.0021 968 PHE A CG \n2139 C CD1 . PHE A 276 ? 0.3144 0.3456 0.4045 -0.0052 0.0132 0.0024 968 PHE A CD1 \n2140 C CD2 . PHE A 276 ? 0.3501 0.3917 0.4540 -0.0040 0.0088 0.0005 968 PHE A CD2 \n2141 C CE1 . PHE A 276 ? 0.4421 0.4694 0.5288 -0.0040 0.0093 0.0012 968 PHE A CE1 \n2142 C CE2 . PHE A 276 ? 0.3153 0.3538 0.4162 -0.0027 0.0056 -0.0007 968 PHE A CE2 \n2143 C CZ . PHE A 276 ? 0.3174 0.3490 0.4103 -0.0029 0.0056 -0.0003 968 PHE A CZ \n2144 N N . SER A 277 ? 0.3381 0.3857 0.4488 -0.0133 0.0203 0.0084 969 SER A N \n2145 C CA . SER A 277 ? 0.3733 0.4250 0.4876 -0.0157 0.0253 0.0108 969 SER A CA \n2146 C C . SER A 277 ? 0.3697 0.4144 0.4761 -0.0193 0.0264 0.0128 969 SER A C \n2147 O O . SER A 277 ? 0.3915 0.4365 0.4957 -0.0207 0.0321 0.0143 969 SER A O \n2148 C CB . SER A 277 ? 0.3443 0.4040 0.4698 -0.0168 0.0241 0.0116 969 SER A CB \n2149 O OG . SER A 277 ? 0.3519 0.4183 0.4845 -0.0138 0.0245 0.0102 969 SER A OG \n2150 N N . LYS A 278 ? 0.3604 0.3985 0.4622 -0.0208 0.0210 0.0129 970 LYS A N \n2151 C CA . LYS A 278 ? 0.4328 0.4619 0.5250 -0.0243 0.0206 0.0147 970 LYS A CA \n2152 C C . LYS A 278 ? 0.4602 0.4818 0.5413 -0.0236 0.0232 0.0144 970 LYS A C \n2153 O O . LYS A 278 ? 0.4030 0.4199 0.4771 -0.0265 0.0271 0.0164 970 LYS A O \n2154 C CB . LYS A 278 ? 0.5288 0.5517 0.6183 -0.0249 0.0133 0.0142 970 LYS A CB \n2155 C CG . LYS A 278 ? 0.6577 0.6711 0.7380 -0.0291 0.0118 0.0164 970 LYS A CG \n2156 C CD . LYS A 278 ? 0.8192 0.8235 0.8934 -0.0279 0.0044 0.0149 970 LYS A CD \n2157 C CE . LYS A 278 ? 0.7525 0.7510 0.8192 -0.0254 0.0040 0.0135 970 LYS A CE \n2158 N NZ . LYS A 278 ? 0.7039 0.7009 0.7722 -0.0218 -0.0022 0.0108 970 LYS A NZ \n2159 N N . MET A 279 ? 0.4010 0.4209 0.4801 -0.0200 0.0210 0.0121 971 MET A N \n2160 C CA . MET A 279 ? 0.4611 0.4732 0.5295 -0.0192 0.0227 0.0118 971 MET A CA \n2161 C C . MET A 279 ? 0.4331 0.4487 0.5012 -0.0187 0.0306 0.0124 971 MET A C \n2162 O O . MET A 279 ? 0.4468 0.4550 0.5043 -0.0200 0.0340 0.0133 971 MET A O \n2163 C CB . MET A 279 ? 0.3866 0.3970 0.4543 -0.0157 0.0181 0.0094 971 MET A CB \n2164 C CG . MET A 279 ? 0.4532 0.4578 0.5187 -0.0160 0.0108 0.0088 971 MET A CG \n2165 S SD . MET A 279 ? 0.5161 0.5209 0.5833 -0.0121 0.0059 0.0061 971 MET A SD \n2166 C CE . MET A 279 ? 0.4972 0.4971 0.5644 -0.0125 -0.0017 0.0055 971 MET A CE \n2167 N N . ALA A 280 ? 0.4161 0.4424 0.4952 -0.0166 0.0333 0.0117 972 ALA A N \n2168 C CA . ALA A 280 ? 0.4731 0.5039 0.5538 -0.0154 0.0406 0.0119 972 ALA A CA \n2169 C C . ALA A 280 ? 0.4662 0.4976 0.5458 -0.0190 0.0464 0.0145 972 ALA A C \n2170 O O . ALA A 280 ? 0.4924 0.5257 0.5709 -0.0182 0.0534 0.0147 972 ALA A O \n2171 C CB . ALA A 280 ? 0.4188 0.4609 0.5125 -0.0126 0.0413 0.0108 972 ALA A CB \n2172 N N . ARG A 281 ? 0.4550 0.4845 0.5346 -0.0229 0.0436 0.0163 973 ARG A N \n2173 C CA . ARG A 281 ? 0.5361 0.5657 0.6142 -0.0274 0.0485 0.0191 973 ARG A CA \n2174 C C . ARG A 281 ? 0.5684 0.5852 0.6300 -0.0296 0.0505 0.0200 973 ARG A C \n2175 O O . ARG A 281 ? 0.5683 0.5844 0.6262 -0.0328 0.0567 0.0220 973 ARG A O \n2176 C CB . ARG A 281 ? 0.5834 0.6152 0.6674 -0.0312 0.0442 0.0209 973 ARG A CB \n2177 C CG . ARG A 281 ? 0.7494 0.7946 0.8497 -0.0308 0.0451 0.0213 973 ARG A CG \n2178 C CD . ARG A 281 ? 0.8217 0.8681 0.9263 -0.0355 0.0419 0.0237 973 ARG A CD \n2179 N NE . ARG A 281 ? 0.8985 0.9407 1.0025 -0.0348 0.0333 0.0225 973 ARG A NE \n2180 C CZ . ARG A 281 ? 0.8865 0.9347 0.9996 -0.0320 0.0296 0.0208 973 ARG A CZ \n2181 N NH1 . ARG A 281 ? 0.7091 0.7675 0.8326 -0.0297 0.0329 0.0203 973 ARG A NH1 \n2182 N NH2 . ARG A 281 ? 0.7409 0.7844 0.8522 -0.0313 0.0225 0.0195 973 ARG A NH2 \n2183 N N . ASP A 282 ? 0.5413 0.5479 0.5928 -0.0281 0.0451 0.0185 974 ASP A N \n2184 C CA . ASP A 282 ? 0.4986 0.4912 0.5331 -0.0300 0.0455 0.0192 974 ASP A CA \n2185 C C . ASP A 282 ? 0.5427 0.5289 0.5706 -0.0260 0.0421 0.0167 974 ASP A C \n2186 O O . ASP A 282 ? 0.5649 0.5421 0.5858 -0.0262 0.0351 0.0163 974 ASP A O \n2187 C CB . ASP A 282 ? 0.6211 0.6053 0.6496 -0.0342 0.0396 0.0209 974 ASP A CB \n2188 C CG . ASP A 282 ? 0.6479 0.6162 0.6579 -0.0369 0.0392 0.0220 974 ASP A CG \n2189 O OD1 . ASP A 282 ? 0.6299 0.5939 0.6311 -0.0363 0.0451 0.0219 974 ASP A OD1 \n2190 O OD2 . ASP A 282 ? 0.7711 0.7303 0.7746 -0.0396 0.0327 0.0229 974 ASP A OD2 \n2191 N N . PRO A 283 ? 0.5975 0.5884 0.6279 -0.0223 0.0467 0.0152 975 PRO A N \n2192 C CA . PRO A 283 ? 0.4872 0.4746 0.5147 -0.0184 0.0426 0.0129 975 PRO A CA \n2193 C C . PRO A 283 ? 0.6284 0.6002 0.6390 -0.0192 0.0392 0.0128 975 PRO A C \n2194 O O . PRO A 283 ? 0.4577 0.4254 0.4667 -0.0175 0.0326 0.0115 975 PRO A O \n2195 C CB . PRO A 283 ? 0.5322 0.5263 0.5638 -0.0150 0.0493 0.0117 975 PRO A CB \n2196 C CG . PRO A 283 ? 0.5060 0.5031 0.5377 -0.0171 0.0577 0.0134 975 PRO A CG \n2197 C CD . PRO A 283 ? 0.4665 0.4661 0.5028 -0.0215 0.0557 0.0156 975 PRO A CD \n2198 N N . GLN A 284 ? 0.6003 0.5630 0.5983 -0.0221 0.0436 0.0144 976 GLN A N \n2199 C CA . GLN A 284 ? 0.5899 0.5363 0.5701 -0.0230 0.0407 0.0146 976 GLN A CA \n2200 C C . GLN A 284 ? 0.5987 0.5365 0.5742 -0.0256 0.0319 0.0154 976 GLN A C \n2201 O O . GLN A 284 ? 0.6224 0.5475 0.5858 -0.0257 0.0267 0.0152 976 GLN A O \n2202 C CB . GLN A 284 ? 0.6607 0.5995 0.6275 -0.0250 0.0490 0.0158 976 GLN A CB \n2203 C CG . GLN A 284 ? 0.7380 0.6836 0.7084 -0.0212 0.0570 0.0143 976 GLN A CG \n2204 C CD . GLN A 284 ? 0.8428 0.7826 0.8014 -0.0227 0.0666 0.0152 976 GLN A CD \n2205 O OE1 . GLN A 284 ? 0.9329 0.8835 0.9002 -0.0221 0.0749 0.0154 976 GLN A OE1 \n2206 N NE2 . GLN A 284 ? 0.6856 0.6084 0.6245 -0.0247 0.0655 0.0158 976 GLN A NE2 \n2207 N N . ARG A 285 ? 0.5647 0.5092 0.5499 -0.0275 0.0297 0.0163 977 ARG A N \n2208 C CA . ARG A 285 ? 0.6036 0.5423 0.5879 -0.0287 0.0204 0.0165 977 ARG A CA \n2209 C C . ARG A 285 ? 0.5732 0.5154 0.5651 -0.0247 0.0135 0.0141 977 ARG A C \n2210 O O . ARG A 285 ? 0.5693 0.5034 0.5568 -0.0247 0.0057 0.0138 977 ARG A O \n2211 C CB . ARG A 285 ? 0.5937 0.5391 0.5870 -0.0313 0.0199 0.0178 977 ARG A CB \n2212 C CG . ARG A 285 ? 0.6103 0.5465 0.5990 -0.0332 0.0111 0.0184 977 ARG A CG \n2213 C CD . ARG A 285 ? 0.7132 0.6555 0.7108 -0.0354 0.0098 0.0195 977 ARG A CD \n2214 N NE . ARG A 285 ? 0.7481 0.6854 0.7465 -0.0345 0.0001 0.0186 977 ARG A NE \n2215 C CZ . ARG A 285 ? 0.8402 0.7802 0.8451 -0.0354 -0.0037 0.0188 977 ARG A CZ \n2216 N NH1 . ARG A 285 ? 0.7654 0.7001 0.7704 -0.0338 -0.0123 0.0176 977 ARG A NH1 \n2217 N NH2 . ARG A 285 ? 0.6082 0.5561 0.6199 -0.0378 0.0007 0.0203 977 ARG A NH2 \n2218 N N . TYR A 286 ? 0.5958 0.5499 0.5992 -0.0214 0.0163 0.0125 978 TYR A N \n2219 C CA . TYR A 286 ? 0.5018 0.4615 0.5146 -0.0182 0.0104 0.0105 978 TYR A CA \n2220 C C . TYR A 286 ? 0.5153 0.4728 0.5249 -0.0154 0.0096 0.0090 978 TYR A C \n2221 O O . TYR A 286 ? 0.4182 0.3756 0.4310 -0.0137 0.0032 0.0078 978 TYR A O \n2222 C CB . TYR A 286 ? 0.4485 0.4229 0.4772 -0.0169 0.0121 0.0098 978 TYR A CB \n2223 C CG . TYR A 286 ? 0.4906 0.4660 0.5225 -0.0196 0.0107 0.0111 978 TYR A CG \n2224 C CD1 . TYR A 286 ? 0.5238 0.5031 0.5574 -0.0222 0.0167 0.0129 978 TYR A CD1 \n2225 C CD2 . TYR A 286 ? 0.4921 0.4644 0.5255 -0.0196 0.0032 0.0106 978 TYR A CD2 \n2226 C CE1 . TYR A 286 ? 0.5139 0.4935 0.5500 -0.0252 0.0149 0.0144 978 TYR A CE1 \n2227 C CE2 . TYR A 286 ? 0.5520 0.5238 0.5871 -0.0221 0.0014 0.0118 978 TYR A CE2 \n2228 C CZ . TYR A 286 ? 0.5952 0.5704 0.6313 -0.0251 0.0071 0.0138 978 TYR A CZ \n2229 O OH . TYR A 286 ? 0.5514 0.5257 0.5891 -0.0280 0.0049 0.0152 978 TYR A OH \n2230 N N . LEU A 287 ? 0.4198 0.3756 0.4232 -0.0149 0.0160 0.0092 979 LEU A N \n2231 C CA . LEU A 287 ? 0.4245 0.3752 0.4216 -0.0127 0.0152 0.0080 979 LEU A CA \n2232 C C . LEU A 287 ? 0.5012 0.4372 0.4802 -0.0143 0.0175 0.0091 979 LEU A C \n2233 O O . LEU A 287 ? 0.5495 0.4840 0.5232 -0.0160 0.0244 0.0102 979 LEU A O \n2234 C CB . LEU A 287 ? 0.4276 0.3890 0.4336 -0.0097 0.0202 0.0067 979 LEU A CB \n2235 C CG . LEU A 287 ? 0.4809 0.4562 0.5036 -0.0081 0.0183 0.0057 979 LEU A CG \n2236 C CD1 . LEU A 287 ? 0.4358 0.4197 0.4653 -0.0054 0.0233 0.0046 979 LEU A CD1 \n2237 C CD2 . LEU A 287 ? 0.3826 0.3574 0.4085 -0.0073 0.0104 0.0046 979 LEU A CD2 \n2238 N N . VAL A 288 ? 0.4829 0.4079 0.4522 -0.0141 0.0118 0.0087 980 VAL A N \n2239 C CA . VAL A 288 ? 0.5664 0.4750 0.5164 -0.0157 0.0126 0.0096 980 VAL A CA \n2240 C C . VAL A 288 ? 0.5580 0.4633 0.5021 -0.0131 0.0148 0.0084 980 VAL A C \n2241 O O . VAL A 288 ? 0.5629 0.4653 0.5068 -0.0119 0.0085 0.0076 980 VAL A O \n2242 C CB . VAL A 288 ? 0.5781 0.4738 0.5191 -0.0178 0.0032 0.0105 980 VAL A CB \n2243 C CG1 . VAL A 288 ? 0.6715 0.5488 0.5908 -0.0201 0.0042 0.0116 980 VAL A CG1 \n2244 C CG2 . VAL A 288 ? 0.6096 0.5087 0.5575 -0.0199 0.0000 0.0114 980 VAL A CG2 \n2245 N N . ILE A 289 ? 0.5355 0.4412 0.4750 -0.0122 0.0238 0.0082 981 ILE A N \n2246 C CA . ILE A 289 ? 0.5792 0.4820 0.5131 -0.0091 0.0270 0.0068 981 ILE A CA \n2247 C C . ILE A 289 ? 0.7001 0.5883 0.6143 -0.0101 0.0326 0.0073 981 ILE A C \n2248 O O . ILE A 289 ? 0.6502 0.5404 0.5630 -0.0114 0.0401 0.0082 981 ILE A O \n2249 C CB . ILE A 289 ? 0.5966 0.5154 0.5455 -0.0060 0.0333 0.0056 981 ILE A CB \n2250 C CG1 . ILE A 289 ? 0.5456 0.4782 0.5129 -0.0052 0.0281 0.0050 981 ILE A CG1 \n2251 C CG2 . ILE A 289 ? 0.6158 0.5306 0.5580 -0.0026 0.0368 0.0040 981 ILE A CG2 \n2252 C CD1 . ILE A 289 ? 0.5854 0.5337 0.5680 -0.0030 0.0335 0.0043 981 ILE A CD1 \n2253 N N . GLN A 290 ? 0.7198 0.5931 0.6185 -0.0097 0.0289 0.0070 982 GLN A N \n2254 C CA . GLN A 290 ? 0.7420 0.5996 0.6198 -0.0105 0.0342 0.0072 982 GLN A CA \n2255 C C . GLN A 290 ? 0.7877 0.6519 0.6673 -0.0072 0.0454 0.0059 982 GLN A C \n2256 O O . GLN A 290 ? 0.8123 0.6839 0.7001 -0.0034 0.0462 0.0042 982 GLN A O \n2257 C CB . GLN A 290 ? 0.9432 0.7831 0.8042 -0.0105 0.0274 0.0070 982 GLN A CB \n2258 C CG . GLN A 290 ? 1.1835 1.0037 1.0199 -0.0123 0.0309 0.0076 982 GLN A CG \n2259 C CD . GLN A 290 ? 1.2915 1.0931 1.1102 -0.0122 0.0239 0.0073 982 GLN A CD \n2260 O OE1 . GLN A 290 ? 1.1338 0.9370 0.9556 -0.0093 0.0215 0.0060 982 GLN A OE1 \n2261 N NE2 . GLN A 290 ? 1.3825 1.1655 1.1819 -0.0157 0.0203 0.0088 982 GLN A NE2 \n2262 N N . GLY A 291 ? 0.8149 0.6765 0.6872 -0.0088 0.0540 0.0067 983 GLY A N \n2263 C CA . GLY A 291 ? 0.8277 0.6956 0.7017 -0.0056 0.0654 0.0054 983 GLY A CA \n2264 C C . GLY A 291 ? 0.8909 0.7805 0.7882 -0.0045 0.0698 0.0054 983 GLY A C \n2265 O O . GLY A 291 ? 0.8003 0.6982 0.7034 -0.0014 0.0785 0.0042 983 GLY A O \n2266 N N . ASP A 292 ? 0.8035 0.7017 0.7138 -0.0070 0.0636 0.0066 984 ASP A N \n2267 C CA . ASP A 292 ? 0.6897 0.6074 0.6220 -0.0063 0.0657 0.0067 984 ASP A CA \n2268 C C . ASP A 292 ? 0.7346 0.6609 0.6718 -0.0058 0.0771 0.0070 984 ASP A C \n2269 O O . ASP A 292 ? 0.7307 0.6703 0.6820 -0.0024 0.0811 0.0058 984 ASP A O \n2270 C CB . ASP A 292 ? 0.5678 0.4891 0.5076 -0.0101 0.0589 0.0085 984 ASP A CB \n2271 C CG . ASP A 292 ? 0.6828 0.6220 0.6445 -0.0089 0.0571 0.0081 984 ASP A CG \n2272 O OD1 . ASP A 292 ? 0.7331 0.6822 0.7048 -0.0052 0.0606 0.0067 984 ASP A OD1 \n2273 O OD2 . ASP A 292 ? 0.7093 0.6519 0.6777 -0.0115 0.0519 0.0093 984 ASP A OD2 \n2274 N N . GLU A 293 ? 0.8300 0.7487 0.7556 -0.0095 0.0821 0.0087 985 GLU A N \n2275 C CA . GLU A 293 ? 1.0027 0.9294 0.9324 -0.0099 0.0936 0.0093 985 GLU A CA \n2276 C C . GLU A 293 ? 0.9391 0.8676 0.8676 -0.0044 0.1018 0.0069 985 GLU A C \n2277 O O . GLU A 293 ? 0.9474 0.8905 0.8904 -0.0023 0.1090 0.0065 985 GLU A O \n2278 C CB . GLU A 293 ? 1.1650 1.0799 1.0786 -0.0152 0.0972 0.0115 985 GLU A CB \n2279 C CG . GLU A 293 ? 1.3974 1.3229 1.3185 -0.0176 0.1077 0.0131 985 GLU A CG \n2280 C CD . GLU A 293 ? 1.5493 1.4875 1.4873 -0.0213 0.1042 0.0153 985 GLU A CD \n2281 O OE1 . GLU A 293 ? 1.4291 1.3597 1.3618 -0.0253 0.0961 0.0169 985 GLU A OE1 \n2282 O OE2 . GLU A 293 ? 1.5574 1.5126 1.5137 -0.0202 0.1092 0.0155 985 GLU A OE2 \n2283 N N . ARG A 294 ? 0.9454 0.8588 0.8568 -0.0020 0.1001 0.0053 986 ARG A N \n2284 C CA . ARG A 294 ? 1.0036 0.9156 0.9109 0.0034 0.1070 0.0027 986 ARG A CA \n2285 C C . ARG A 294 ? 1.0976 1.0136 1.0132 0.0082 0.1006 0.0006 986 ARG A C \n2286 O O . ARG A 294 ? 1.3179 1.2208 1.2196 0.0107 0.0978 -0.0009 986 ARG A O \n2287 C CB . ARG A 294 ? 1.0660 0.9569 0.9466 0.0030 0.1102 0.0022 986 ARG A CB \n2288 C CG . ARG A 294 ? 1.2138 1.1018 1.0855 0.0000 0.1208 0.0036 986 ARG A CG \n2289 C CD . ARG A 294 ? 1.2418 1.1218 1.1052 -0.0071 0.1162 0.0066 986 ARG A CD \n2290 N NE . ARG A 294 ? 1.4330 1.2896 1.2708 -0.0091 0.1111 0.0068 986 ARG A NE \n2291 C CZ . ARG A 294 ? 1.5835 1.4251 1.4003 -0.0122 0.1169 0.0077 986 ARG A CZ \n2292 N NH1 . ARG A 294 ? 1.5502 1.3985 1.3688 -0.0138 0.1287 0.0086 986 ARG A NH1 \n2293 N NH2 . ARG A 294 ? 1.4309 1.2504 1.2245 -0.0139 0.1109 0.0079 986 ARG A NH2 \n2294 N N . MET A 295 ? 1.0734 1.0065 1.0106 0.0091 0.0982 0.0007 987 MET A N \n2295 C CA . MET A 295 ? 0.9874 0.9254 0.9335 0.0132 0.0926 -0.0011 987 MET A CA \n2296 C C . MET A 295 ? 1.0151 0.9701 0.9801 0.0172 0.0979 -0.0022 987 MET A C \n2297 O O . MET A 295 ? 0.8481 0.8175 0.8297 0.0154 0.0990 -0.0008 987 MET A O \n2298 C CB . MET A 295 ? 1.0538 0.9933 1.0060 0.0106 0.0814 -0.0001 987 MET A CB \n2299 C CG . MET A 295 ? 0.9017 0.8253 0.8384 0.0105 0.0736 -0.0007 987 MET A CG \n2300 S SD . MET A 295 ? 0.9838 0.9087 0.9268 0.0066 0.0616 0.0007 987 MET A SD \n2301 C CE . MET A 295 ? 1.0024 0.9063 0.9240 0.0060 0.0545 0.0004 987 MET A CE \n2302 N N . HIS A 296 ? 1.2215 1.1739 1.1835 0.0227 0.1003 -0.0046 988 HIS A N \n2303 C CA . HIS A 296 ? 1.2213 1.1877 1.1991 0.0274 0.1056 -0.0061 988 HIS A CA \n2304 C C . HIS A 296 ? 0.9897 0.9581 0.9739 0.0308 0.0983 -0.0077 988 HIS A C \n2305 O O . HIS A 296 ? 1.0129 0.9685 0.9836 0.0328 0.0946 -0.0091 988 HIS A O \n2306 C CB . HIS A 296 ? 1.4909 1.4523 1.4595 0.0315 0.1162 -0.0079 988 HIS A CB \n2307 C CG . HIS A 296 ? 1.7146 1.6561 1.6601 0.0335 0.1148 -0.0096 988 HIS A CG \n2308 N ND1 . HIS A 296 ? 1.6524 1.5779 1.5781 0.0295 0.1136 -0.0084 988 HIS A ND1 \n2309 C CD2 . HIS A 296 ? 1.6681 1.6020 1.6065 0.0389 0.1138 -0.0122 988 HIS A CD2 \n2310 C CE1 . HIS A 296 ? 1.5913 1.5005 1.4989 0.0323 0.1119 -0.0102 988 HIS A CE1 \n2311 N NE2 . HIS A 296 ? 1.5946 1.5085 1.5094 0.0380 0.1121 -0.0126 988 HIS A NE2 \n2312 N N . LEU A 297 ? 0.7822 0.7659 0.7861 0.0310 0.0958 -0.0072 989 LEU A N \n2313 C CA . LEU A 297 ? 0.9211 0.9070 0.9312 0.0340 0.0893 -0.0086 989 LEU A CA \n2314 C C . LEU A 297 ? 1.0864 1.0735 1.0982 0.0406 0.0943 -0.0112 989 LEU A C \n2315 O O . LEU A 297 ? 0.8567 0.8540 0.8789 0.0428 0.1019 -0.0114 989 LEU A O \n2316 C CB . LEU A 297 ? 0.8475 0.8472 0.8758 0.0318 0.0840 -0.0074 989 LEU A CB \n2317 C CG . LEU A 297 ? 0.8525 0.8489 0.8785 0.0270 0.0753 -0.0059 989 LEU A CG \n2318 C CD1 . LEU A 297 ? 0.8156 0.8254 0.8593 0.0258 0.0710 -0.0052 989 LEU A CD1 \n2319 C CD2 . LEU A 297 ? 0.6451 0.6285 0.6578 0.0276 0.0689 -0.0069 989 LEU A CD2 \n2320 N N . PRO A 298 ? 1.1030 1.0796 1.1047 0.0437 0.0898 -0.0130 990 PRO A N \n2321 C CA . PRO A 298 ? 1.1468 1.1222 1.1483 0.0503 0.0933 -0.0156 990 PRO A CA \n2322 C C . PRO A 298 ? 1.0815 1.0734 1.1044 0.0529 0.0936 -0.0159 990 PRO A C \n2323 O O . PRO A 298 ? 1.0015 1.0022 1.0364 0.0497 0.0877 -0.0144 990 PRO A O \n2324 C CB . PRO A 298 ? 1.1898 1.1517 1.1785 0.0512 0.0851 -0.0166 990 PRO A CB \n2325 C CG . PRO A 298 ? 1.1807 1.1329 1.1573 0.0455 0.0804 -0.0148 990 PRO A CG \n2326 C CD . PRO A 298 ? 1.0711 1.0358 1.0609 0.0408 0.0808 -0.0125 990 PRO A CD \n2327 N N . SER A 299 ? 1.0622 1.0578 1.0896 0.0588 0.1003 -0.0180 991 SER A N \n2328 C CA . SER A 299 ? 1.1644 1.1743 1.2115 0.0623 0.1002 -0.0186 991 SER A CA \n2329 C C . SER A 299 ? 1.1519 1.1608 1.2021 0.0615 0.0895 -0.0185 991 SER A C \n2330 O O . SER A 299 ? 1.1508 1.1469 1.1875 0.0628 0.0847 -0.0197 991 SER A O \n2331 C CB . SER A 299 ? 1.2245 1.2337 1.2715 0.0700 0.1071 -0.0215 991 SER A CB \n2332 O OG . SER A 299 ? 1.1389 1.1625 1.2062 0.0734 0.1071 -0.0220 991 SER A OG \n2333 N N . PRO A 300 ? 1.1896 1.2117 1.2568 0.0589 0.0858 -0.0169 992 PRO A N \n2334 C CA . PRO A 300 ? 1.1501 1.1718 1.2200 0.0570 0.0760 -0.0164 992 PRO A CA \n2335 C C . PRO A 300 ? 1.2577 1.2724 1.3232 0.0620 0.0723 -0.0187 992 PRO A C \n2336 O O . PRO A 300 ? 1.3139 1.3201 1.3708 0.0602 0.0650 -0.0186 992 PRO A O \n2337 C CB . PRO A 300 ? 1.0954 1.1331 1.1855 0.0551 0.0751 -0.0149 992 PRO A CB \n2338 C CG . PRO A 300 ? 1.1592 1.2041 1.2544 0.0534 0.0828 -0.0136 992 PRO A CG \n2339 C CD . PRO A 300 ? 1.2345 1.2721 1.3189 0.0575 0.0907 -0.0154 992 PRO A CD \n2340 N N . THR A 301 ? 1.0058 1.0240 1.0773 0.0682 0.0771 -0.0206 993 THR A N \n2341 C CA . THR A 301 ? 1.1309 1.1427 1.1992 0.0737 0.0734 -0.0229 993 THR A CA \n2342 C C . THR A 301 ? 1.3328 1.3273 1.3804 0.0766 0.0743 -0.0249 993 THR A C \n2343 O O . THR A 301 ? 1.3010 1.2870 1.3424 0.0803 0.0699 -0.0266 993 THR A O \n2344 C CB . THR A 301 ? 1.1084 1.1311 1.1929 0.0797 0.0772 -0.0244 993 THR A CB \n2345 O OG1 . THR A 301 ? 1.1895 1.2200 1.2798 0.0811 0.0873 -0.0244 993 THR A OG1 \n2346 C CG2 . THR A 301 ? 1.0346 1.0696 1.1366 0.0774 0.0714 -0.0228 993 THR A CG2 \n2347 N N . ASP A 302 ? 1.4030 1.3914 1.4392 0.0749 0.0797 -0.0246 994 ASP A N \n2348 C CA . ASP A 302 ? 1.2990 1.2692 1.3133 0.0765 0.0798 -0.0260 994 ASP A CA \n2349 C C . ASP A 302 ? 1.1727 1.1328 1.1756 0.0708 0.0706 -0.0244 994 ASP A C \n2350 O O . ASP A 302 ? 1.1835 1.1277 1.1680 0.0712 0.0686 -0.0252 994 ASP A O \n2351 C CB . ASP A 302 ? 1.3105 1.2771 1.3158 0.0767 0.0892 -0.0263 994 ASP A CB \n2352 C CG . ASP A 302 ? 1.3941 1.3683 1.4078 0.0831 0.0992 -0.0284 994 ASP A CG \n2353 O OD1 . ASP A 302 ? 1.2311 1.2166 1.2614 0.0869 0.0987 -0.0292 994 ASP A OD1 \n2354 O OD2 . ASP A 302 ? 1.2450 1.2140 1.2488 0.0844 0.1076 -0.0292 994 ASP A OD2 \n2355 N N . SER A 303 ? 1.0468 1.0163 1.0608 0.0657 0.0652 -0.0222 995 SER A N \n2356 C CA . SER A 303 ? 0.9300 0.8923 0.9361 0.0603 0.0567 -0.0206 995 SER A CA \n2357 C C . SER A 303 ? 0.9723 0.9255 0.9718 0.0626 0.0500 -0.0218 995 SER A C \n2358 O O . SER A 303 ? 0.9060 0.8628 0.9127 0.0671 0.0499 -0.0233 995 SER A O \n2359 C CB . SER A 303 ? 0.9694 0.9441 0.9893 0.0548 0.0530 -0.0182 995 SER A CB \n2360 O OG . SER A 303 ? 0.7121 0.6917 0.7406 0.0546 0.0469 -0.0181 995 SER A OG \n2361 N N . ASN A 304 ? 0.9182 0.8593 0.9039 0.0592 0.0440 -0.0210 996 ASN A N \n2362 C CA . ASN A 304 ? 0.9673 0.8986 0.9452 0.0599 0.0369 -0.0217 996 ASN A CA \n2363 C C . ASN A 304 ? 0.9795 0.9208 0.9711 0.0583 0.0316 -0.0208 996 ASN A C \n2364 O O . ASN A 304 ? 0.9483 0.8872 0.9406 0.0619 0.0290 -0.0222 996 ASN A O \n2365 C CB . ASN A 304 ? 0.8458 0.7637 0.8079 0.0554 0.0313 -0.0204 996 ASN A CB \n2366 C CG . ASN A 304 ? 0.9948 0.8992 0.9400 0.0576 0.0355 -0.0215 996 ASN A CG \n2367 O OD1 . ASN A 304 ? 0.9191 0.8199 0.8604 0.0636 0.0415 -0.0238 996 ASN A OD1 \n2368 N ND2 . ASN A 304 ? 0.8242 0.7209 0.7593 0.0528 0.0325 -0.0199 996 ASN A ND2 \n2369 N N . PHE A 305 ? 0.8717 0.8238 0.8738 0.0530 0.0301 -0.0187 997 PHE A N \n2370 C CA . PHE A 305 ? 0.5837 0.5446 0.5974 0.0506 0.0251 -0.0178 997 PHE A CA \n2371 C C . PHE A 305 ? 0.6597 0.6282 0.6849 0.0555 0.0270 -0.0191 997 PHE A C \n2372 O O . PHE A 305 ? 0.7922 0.7591 0.8187 0.0560 0.0217 -0.0193 997 PHE A O \n2373 C CB . PHE A 305 ? 0.6989 0.6702 0.7218 0.0449 0.0244 -0.0156 997 PHE A CB \n2374 C CG . PHE A 305 ? 0.5710 0.5466 0.5998 0.0411 0.0179 -0.0145 997 PHE A CG \n2375 C CD1 . PHE A 305 ? 0.5133 0.4985 0.5547 0.0421 0.0174 -0.0146 997 PHE A CD1 \n2376 C CD2 . PHE A 305 ? 0.6193 0.5889 0.6406 0.0364 0.0123 -0.0133 997 PHE A CD2 \n2377 C CE1 . PHE A 305 ? 0.4505 0.4383 0.4956 0.0385 0.0118 -0.0136 997 PHE A CE1 \n2378 C CE2 . PHE A 305 ? 0.6139 0.5873 0.6400 0.0328 0.0070 -0.0122 997 PHE A CE2 \n2379 C CZ . PHE A 305 ? 0.4722 0.4542 0.5094 0.0338 0.0069 -0.0124 997 PHE A CZ \n2380 N N . TYR A 306 ? 0.5537 0.5301 0.5872 0.0589 0.0342 -0.0198 998 TYR A N \n2381 C CA . TYR A 306 ? 0.6233 0.6085 0.6701 0.0635 0.0360 -0.0210 998 TYR A CA \n2382 C C . TYR A 306 ? 0.6620 0.6372 0.7016 0.0695 0.0342 -0.0233 998 TYR A C \n2383 O O . TYR A 306 ? 0.6307 0.6072 0.6756 0.0707 0.0291 -0.0236 998 TYR A O \n2384 C CB . TYR A 306 ? 0.6187 0.6147 0.6762 0.0658 0.0446 -0.0212 998 TYR A CB \n2385 C CG . TYR A 306 ? 0.6522 0.6584 0.7253 0.0704 0.0460 -0.0221 998 TYR A CG \n2386 C CD1 . TYR A 306 ? 0.7964 0.8152 0.8852 0.0677 0.0439 -0.0206 998 TYR A CD1 \n2387 C CD2 . TYR A 306 ? 0.8168 0.8194 0.8888 0.0777 0.0491 -0.0247 998 TYR A CD2 \n2388 C CE1 . TYR A 306 ? 0.8622 0.8901 0.9657 0.0717 0.0443 -0.0212 998 TYR A CE1 \n2389 C CE2 . TYR A 306 ? 0.8160 0.8283 0.9035 0.0822 0.0499 -0.0256 998 TYR A CE2 \n2390 C CZ . TYR A 306 ? 0.9878 1.0128 1.0913 0.0789 0.0472 -0.0237 998 TYR A CZ \n2391 O OH . TYR A 306 ? 1.0108 1.0453 1.1301 0.0831 0.0472 -0.0244 998 TYR A OH \n2392 N N . ARG A 307 ? 0.7174 0.6820 0.7441 0.0731 0.0381 -0.0250 999 ARG A N \n2393 C CA . ARG A 307 ? 0.8550 0.8086 0.8730 0.0794 0.0367 -0.0275 999 ARG A CA \n2394 C C . ARG A 307 ? 0.9285 0.8721 0.9382 0.0771 0.0269 -0.0270 999 ARG A C \n2395 O O . ARG A 307 ? 0.7012 0.6425 0.7131 0.0810 0.0233 -0.0283 999 ARG A O \n2396 C CB . ARG A 307 ? 0.9740 0.9158 0.9767 0.0830 0.0423 -0.0293 999 ARG A CB \n2397 C CG . ARG A 307 ? 0.9624 0.9122 0.9726 0.0881 0.0527 -0.0309 999 ARG A CG \n2398 C CD . ARG A 307 ? 1.1962 1.1316 1.1893 0.0932 0.0575 -0.0334 999 ARG A CD \n2399 N NE . ARG A 307 ? 1.2909 1.2335 1.2903 0.0984 0.0684 -0.0352 999 ARG A NE \n2400 C CZ . ARG A 307 ? 1.1736 1.1212 1.1823 0.1060 0.0723 -0.0377 999 ARG A CZ \n2401 N NH1 . ARG A 307 ? 1.0498 1.0047 1.0644 0.1101 0.0829 -0.0390 999 ARG A NH1 \n2402 N NH2 . ARG A 307 ? 0.9480 0.8934 0.9601 0.1095 0.0657 -0.0389 999 ARG A NH2 \n2403 N N . ALA A 308 ? 0.7442 0.6822 0.7448 0.0705 0.0226 -0.0250 1000 ALA A N \n2404 C CA . ALA A 308 ? 0.8914 0.8215 0.8849 0.0663 0.0134 -0.0238 1000 ALA A CA \n2405 C C . ALA A 308 ? 0.9300 0.8682 0.9354 0.0649 0.0086 -0.0230 1000 ALA A C \n2406 O O . ALA A 308 ? 0.8472 0.7773 0.8462 0.0638 0.0016 -0.0228 1000 ALA A O \n2407 C CB . ALA A 308 ? 0.5397 0.4677 0.5269 0.0589 0.0109 -0.0214 1000 ALA A CB \n2408 N N . LEU A 309 ? 0.5935 0.5469 0.6153 0.0647 0.0120 -0.0224 1001 LEU A N \n2409 C CA . LEU A 309 ? 0.5147 0.4758 0.5478 0.0631 0.0077 -0.0216 1001 LEU A CA \n2410 C C . LEU A 309 ? 0.6766 0.6404 0.7181 0.0698 0.0082 -0.0235 1001 LEU A C \n2411 O O . LEU A 309 ? 0.6805 0.6418 0.7232 0.0700 0.0020 -0.0235 1001 LEU A O \n2412 C CB . LEU A 309 ? 0.5725 0.5480 0.6186 0.0586 0.0101 -0.0197 1001 LEU A CB \n2413 C CG . LEU A 309 ? 0.5529 0.5297 0.5978 0.0510 0.0053 -0.0175 1001 LEU A CG \n2414 C CD1 . LEU A 309 ? 0.6187 0.5872 0.6508 0.0476 0.0047 -0.0167 1001 LEU A CD1 \n2415 C CD2 . LEU A 309 ? 0.5059 0.4968 0.5648 0.0481 0.0077 -0.0162 1001 LEU A CD2 \n2416 N N . MET A 310 ? 0.6670 0.6361 0.7145 0.0753 0.0156 -0.0251 1002 MET A N \n2417 C CA . MET A 310 ? 0.7759 0.7525 0.8369 0.0814 0.0172 -0.0266 1002 MET A CA \n2418 C C . MET A 310 ? 0.8752 0.8422 0.9299 0.0895 0.0178 -0.0296 1002 MET A C \n2419 O O . MET A 310 ? 0.7655 0.7355 0.8294 0.0943 0.0156 -0.0308 1002 MET A O \n2420 C CB . MET A 310 ? 0.7211 0.7130 0.7973 0.0821 0.0250 -0.0262 1002 MET A CB \n2421 C CG . MET A 310 ? 0.8481 0.8499 0.9318 0.0747 0.0244 -0.0234 1002 MET A CG \n2422 S SD . MET A 310 ? 0.8166 0.8200 0.9049 0.0698 0.0148 -0.0216 1002 MET A SD \n2423 C CE . MET A 310 ? 0.8744 0.8854 0.9788 0.0759 0.0136 -0.0229 1002 MET A CE \n2424 N N . ASP A 311 ? 0.9365 0.8916 0.9755 0.0912 0.0203 -0.0308 1003 ASP A N \n2425 C CA . ASP A 311 ? 1.1948 1.1396 1.2260 0.0994 0.0219 -0.0341 1003 ASP A CA \n2426 C C . ASP A 311 ? 1.1255 1.0573 1.1479 0.1012 0.0126 -0.0349 1003 ASP A C \n2427 O O . ASP A 311 ? 1.1393 1.0642 1.1587 0.1088 0.0129 -0.0378 1003 ASP A O \n2428 C CB . ASP A 311 ? 1.1500 1.0846 1.1655 0.1006 0.0275 -0.0352 1003 ASP A CB \n2429 C CG . ASP A 311 ? 1.2027 1.1484 1.2268 0.1027 0.0384 -0.0357 1003 ASP A CG \n2430 O OD1 . ASP A 311 ? 1.1370 1.0982 1.1768 0.0993 0.0407 -0.0338 1003 ASP A OD1 \n2431 O OD2 . ASP A 311 ? 1.4065 1.3447 1.4208 0.1075 0.0445 -0.0379 1003 ASP A OD2 \n2432 N N . GLU A 312 ? 1.0995 1.0280 1.1177 0.0941 0.0047 -0.0325 1004 GLU A N \n2433 C CA . GLU A 312 ? 1.2079 1.1246 1.2180 0.0943 -0.0045 -0.0327 1004 GLU A CA \n2434 C C . GLU A 312 ? 1.1771 1.0982 1.1993 0.1009 -0.0063 -0.0345 1004 GLU A C \n2435 O O . GLU A 312 ? 1.0493 0.9855 1.0893 0.1013 -0.0036 -0.0339 1004 GLU A O \n2436 C CB . GLU A 312 ? 1.2077 1.1246 1.2158 0.0850 -0.0114 -0.0294 1004 GLU A CB \n2437 C CG . GLU A 312 ? 1.2246 1.1282 1.2222 0.0836 -0.0212 -0.0291 1004 GLU A CG \n2438 C CD . GLU A 312 ? 1.3187 1.2237 1.3149 0.0741 -0.0269 -0.0258 1004 GLU A CD \n2439 O OE1 . GLU A 312 ? 1.0602 0.9566 1.0502 0.0721 -0.0348 -0.0252 1004 GLU A OE1 \n2440 O OE2 . GLU A 312 ? 1.0657 0.9800 1.0666 0.0687 -0.0234 -0.0240 1004 GLU A OE2 \n2441 N N . GLU A 313 ? 1.2401 1.1473 1.2526 0.1061 -0.0114 -0.0365 1005 GLU A N \n2442 C CA . GLU A 313 ? 1.3509 1.2601 1.3737 0.1134 -0.0139 -0.0386 1005 GLU A CA \n2443 C C . GLU A 313 ? 1.3670 1.2826 1.4002 0.1091 -0.0212 -0.0364 1005 GLU A C \n2444 O O . GLU A 313 ? 1.4257 1.3496 1.4739 0.1138 -0.0217 -0.0374 1005 GLU A O \n2445 C CB . GLU A 313 ? 1.3511 1.2418 1.3587 0.1197 -0.0184 -0.0413 1005 GLU A CB \n2446 C CG . GLU A 313 ? 1.4030 1.2900 1.4061 0.1280 -0.0100 -0.0447 1005 GLU A CG \n2447 C CD . GLU A 313 ? 1.4556 1.3215 1.4394 0.1332 -0.0146 -0.0473 1005 GLU A CD \n2448 O OE1 . GLU A 313 ? 1.2632 1.1232 1.2395 0.1395 -0.0079 -0.0501 1005 GLU A OE1 \n2449 O OE2 . GLU A 313 ? 1.3645 1.2187 1.3395 0.1308 -0.0248 -0.0464 1005 GLU A OE2 \n2450 N N . ASP A 314 ? 1.5115 1.4232 1.5368 0.1000 -0.0267 -0.0335 1006 ASP A N \n2451 C CA . ASP A 314 ? 1.5722 1.4894 1.6053 0.0947 -0.0330 -0.0311 1006 ASP A CA \n2452 C C . ASP A 314 ? 1.4561 1.3925 1.5094 0.0942 -0.0278 -0.0303 1006 ASP A C \n2453 O O . ASP A 314 ? 1.3729 1.3149 1.4371 0.0941 -0.0321 -0.0297 1006 ASP A O \n2454 C CB . ASP A 314 ? 1.5887 1.4996 1.6096 0.0848 -0.0378 -0.0282 1006 ASP A CB \n2455 C CG . ASP A 314 ? 1.5604 1.4523 1.5633 0.0840 -0.0461 -0.0283 1006 ASP A CG \n2456 O OD1 . ASP A 314 ? 1.4088 1.2927 1.4103 0.0902 -0.0506 -0.0302 1006 ASP A OD1 \n2457 O OD2 . ASP A 314 ? 1.4157 1.3007 1.4062 0.0771 -0.0484 -0.0264 1006 ASP A OD2 \n2458 N N . MET A 315 ? 1.2051 1.1505 1.2626 0.0935 -0.0190 -0.0302 1007 MET A N \n2459 C CA . MET A 315 ? 1.1385 1.1017 1.2148 0.0940 -0.0131 -0.0296 1007 MET A CA \n2460 C C . MET A 315 ? 1.2377 1.2057 1.3253 0.1037 -0.0090 -0.0325 1007 MET A C \n2461 O O . MET A 315 ? 1.3695 1.3422 1.4596 0.1075 -0.0003 -0.0339 1007 MET A O \n2462 C CB . MET A 315 ? 1.0381 1.0079 1.1136 0.0898 -0.0054 -0.0285 1007 MET A CB \n2463 C CG . MET A 315 ? 0.8406 0.8029 0.9019 0.0818 -0.0082 -0.0264 1007 MET A CG \n2464 S SD . MET A 315 ? 0.8532 0.8189 0.9172 0.0730 -0.0155 -0.0234 1007 MET A SD \n2465 C CE . MET A 315 ? 0.7163 0.7010 0.7988 0.0708 -0.0095 -0.0220 1007 MET A CE \n2466 N N . ASP A 316 ? 1.3918 1.3585 1.4860 0.1076 -0.0154 -0.0333 1008 ASP A N \n2467 C CA . ASP A 316 ? 1.3811 1.3507 1.4855 0.1176 -0.0130 -0.0363 1008 ASP A CA \n2468 C C . ASP A 316 ? 1.2967 1.2857 1.4229 0.1198 -0.0054 -0.0361 1008 ASP A C \n2469 O O . ASP A 316 ? 1.2923 1.2873 1.4204 0.1218 0.0041 -0.0370 1008 ASP A O \n2470 C CB . ASP A 316 ? 1.5407 1.5023 1.6457 0.1208 -0.0233 -0.0370 1008 ASP A CB \n2471 C CG . ASP A 316 ? 1.5026 1.4633 1.6144 0.1321 -0.0217 -0.0407 1008 ASP A CG \n2472 O OD1 . ASP A 316 ? 0.9855 0.9578 1.1165 0.1362 -0.0221 -0.0411 1008 ASP A OD1 \n2473 O OD2 . ASP A 316 ? 1.4722 1.4205 1.5703 0.1370 -0.0203 -0.0432 1008 ASP A OD2 \n2474 N N . ASP A 317 ? 1.2479 1.2462 1.3899 0.1192 -0.0101 -0.0349 1009 ASP A N \n2475 C CA . ASP A 317 ? 1.2146 1.2316 1.3785 0.1206 -0.0043 -0.0343 1009 ASP A CA \n2476 C C . ASP A 317 ? 1.1221 1.1469 1.2920 0.1116 -0.0074 -0.0308 1009 ASP A C \n2477 O O . ASP A 317 ? 0.8749 0.8976 1.0474 0.1092 -0.0163 -0.0295 1009 ASP A O \n2478 C CB . ASP A 317 ? 1.2222 1.2441 1.4022 0.1289 -0.0070 -0.0363 1009 ASP A CB \n2479 C CG . ASP A 317 ? 1.3698 1.3878 1.5478 0.1389 -0.0013 -0.0402 1009 ASP A CG \n2480 O OD1 . ASP A 317 ? 1.2606 1.2696 1.4365 0.1452 -0.0074 -0.0424 1009 ASP A OD1 \n2481 O OD2 . ASP A 317 ? 1.3719 1.3954 1.5501 0.1405 0.0093 -0.0411 1009 ASP A OD2 \n2482 N N . VAL A 318 ? 1.1107 1.1436 1.2818 0.1069 -0.0001 -0.0293 1010 VAL A N \n2483 C CA . VAL A 318 ? 0.9458 0.9838 1.1185 0.0980 -0.0025 -0.0261 1010 VAL A CA \n2484 C C . VAL A 318 ? 0.9217 0.9768 1.1124 0.0964 0.0032 -0.0246 1010 VAL A C \n2485 O O . VAL A 318 ? 0.9048 0.9681 1.1038 0.1007 0.0116 -0.0257 1010 VAL A O \n2486 C CB . VAL A 318 ? 0.9821 1.0111 1.1362 0.0917 -0.0015 -0.0251 1010 VAL A CB \n2487 C CG1 . VAL A 318 ? 1.0631 1.0754 1.2000 0.0916 -0.0088 -0.0259 1010 VAL A CG1 \n2488 C CG2 . VAL A 318 ? 0.9500 0.9808 1.0999 0.0932 0.0083 -0.0261 1010 VAL A CG2 \n2489 N N . VAL A 319 ? 0.7884 0.8483 0.9844 0.0900 -0.0012 -0.0220 1011 VAL A N \n2490 C CA . VAL A 319 ? 0.7216 0.7965 0.9330 0.0869 0.0028 -0.0200 1011 VAL A CA \n2491 C C . VAL A 319 ? 0.8856 0.9594 1.0883 0.0784 0.0028 -0.0178 1011 VAL A C \n2492 O O . VAL A 319 ? 0.7692 0.8361 0.9642 0.0738 -0.0042 -0.0167 1011 VAL A O \n2493 C CB . VAL A 319 ? 0.7737 0.8567 1.0028 0.0878 -0.0032 -0.0190 1011 VAL A CB \n2494 C CG1 . VAL A 319 ? 0.8115 0.9085 1.0547 0.0834 0.0001 -0.0166 1011 VAL A CG1 \n2495 C CG2 . VAL A 319 ? 0.6617 0.7479 0.9024 0.0967 -0.0028 -0.0212 1011 VAL A CG2 \n2496 N N . ASP A 320 ? 0.8943 0.9746 1.0983 0.0765 0.0108 -0.0171 1012 ASP A N \n2497 C CA . ASP A 320 ? 0.9051 0.9855 1.1025 0.0691 0.0117 -0.0152 1012 ASP A CA \n2498 C C . ASP A 320 ? 0.8442 0.9289 1.0489 0.0641 0.0053 -0.0130 1012 ASP A C \n2499 O O . ASP A 320 ? 0.7356 0.8291 0.9560 0.0656 0.0038 -0.0123 1012 ASP A O \n2500 C CB . ASP A 320 ? 0.9345 1.0230 1.1359 0.0685 0.0211 -0.0147 1012 ASP A CB \n2501 C CG . ASP A 320 ? 1.1620 1.2475 1.3527 0.0621 0.0224 -0.0133 1012 ASP A CG \n2502 O OD1 . ASP A 320 ? 1.2353 1.3109 1.4108 0.0617 0.0231 -0.0142 1012 ASP A OD1 \n2503 O OD2 . ASP A 320 ? 1.1828 1.2757 1.3807 0.0576 0.0226 -0.0114 1012 ASP A OD2 \n2504 N N . ALA A 321 ? 0.5800 0.6584 0.7737 0.0583 0.0016 -0.0120 1013 ALA A N \n2505 C CA . ALA A 321 ? 0.6606 0.7410 0.8583 0.0534 -0.0043 -0.0102 1013 ALA A CA \n2506 C C . ALA A 321 ? 0.7590 0.8517 0.9715 0.0514 -0.0017 -0.0084 1013 ALA A C \n2507 O O . ALA A 321 ? 0.7342 0.8301 0.9551 0.0497 -0.0072 -0.0071 1013 ALA A O \n2508 C CB . ALA A 321 ? 0.7095 0.7819 0.8927 0.0476 -0.0069 -0.0096 1013 ALA A CB \n2509 N N . ASP A 322 ? 0.6516 0.7502 0.8662 0.0513 0.0060 -0.0082 1014 ASP A N \n2510 C CA . ASP A 322 ? 0.8273 0.9376 1.0556 0.0493 0.0092 -0.0064 1014 ASP A CA \n2511 C C . ASP A 322 ? 0.8225 0.9420 1.0687 0.0536 0.0089 -0.0063 1014 ASP A C \n2512 O O . ASP A 322 ? 0.9168 1.0441 1.1756 0.0512 0.0063 -0.0044 1014 ASP A O \n2513 C CB . ASP A 322 ? 0.9484 1.0616 1.1736 0.0485 0.0179 -0.0063 1014 ASP A CB \n2514 C CG . ASP A 322 ? 0.9938 1.0991 1.2034 0.0441 0.0180 -0.0062 1014 ASP A CG \n2515 O OD1 . ASP A 322 ? 1.1208 1.2225 1.3216 0.0450 0.0234 -0.0071 1014 ASP A OD1 \n2516 O OD2 . ASP A 322 ? 1.0642 1.1666 1.2703 0.0398 0.0126 -0.0053 1014 ASP A OD2 \n2517 N N . GLU A 323 ? 0.7600 0.8784 1.0073 0.0599 0.0113 -0.0084 1015 GLU A N \n2518 C CA . GLU A 323 ? 0.9332 1.0605 1.1980 0.0651 0.0114 -0.0087 1015 GLU A CA \n2519 C C . GLU A 323 ? 0.8977 1.0222 1.1676 0.0658 0.0011 -0.0085 1015 GLU A C \n2520 O O . GLU A 323 ? 0.8178 0.9513 1.1049 0.0675 -0.0012 -0.0076 1015 GLU A O \n2521 C CB . GLU A 323 ? 0.9994 1.1254 1.2624 0.0723 0.0175 -0.0114 1015 GLU A CB \n2522 C CG . GLU A 323 ? 1.2026 1.3410 1.4854 0.0779 0.0213 -0.0119 1015 GLU A CG \n2523 C CD . GLU A 323 ? 1.3718 1.5076 1.6513 0.0854 0.0276 -0.0149 1015 GLU A CD \n2524 O OE1 . GLU A 323 ? 1.4469 1.5725 1.7086 0.0855 0.0310 -0.0163 1015 GLU A OE1 \n2525 O OE2 . GLU A 323 ? 1.4349 1.5786 1.7296 0.0915 0.0290 -0.0160 1015 GLU A OE2 \n2526 N N . TYR A 324 ? 0.7778 0.8895 1.0324 0.0642 -0.0050 -0.0091 1016 TYR A N \n2527 C CA . TYR A 324 ? 0.7955 0.9016 1.0509 0.0642 -0.0153 -0.0088 1016 TYR A CA \n2528 C C . TYR A 324 ? 0.8272 0.9353 1.0860 0.0577 -0.0208 -0.0063 1016 TYR A C \n2529 O O . TYR A 324 ? 0.9020 1.0115 1.1703 0.0581 -0.0279 -0.0054 1016 TYR A O \n2530 C CB . TYR A 324 ? 0.9663 1.0574 1.2032 0.0645 -0.0195 -0.0103 1016 TYR A CB \n2531 C CG . TYR A 324 ? 0.9966 1.0793 1.2290 0.0619 -0.0300 -0.0095 1016 TYR A CG \n2532 C CD1 . TYR A 324 ? 1.0568 1.1350 1.2801 0.0548 -0.0334 -0.0079 1016 TYR A CD1 \n2533 C CD2 . TYR A 324 ? 0.8997 0.9781 1.1360 0.0666 -0.0367 -0.0105 1016 TYR A CD2 \n2534 C CE1 . TYR A 324 ? 1.1146 1.1843 1.3324 0.0522 -0.0426 -0.0072 1016 TYR A CE1 \n2535 C CE2 . TYR A 324 ? 0.9442 1.0137 1.1751 0.0638 -0.0466 -0.0097 1016 TYR A CE2 \n2536 C CZ . TYR A 324 ? 1.1348 1.1998 1.3559 0.0564 -0.0493 -0.0080 1016 TYR A CZ \n2537 O OH . TYR A 324 ? 1.0923 1.1476 1.3063 0.0534 -0.0587 -0.0072 1016 TYR A OH \n2538 N N . LEU A 325 ? 0.8852 0.9924 1.1356 0.0521 -0.0179 -0.0052 1017 LEU A N \n2539 C CA . LEU A 325 ? 0.8728 0.9807 1.1242 0.0460 -0.0225 -0.0031 1017 LEU A CA \n2540 C C . LEU A 325 ? 0.8820 1.0022 1.1468 0.0439 -0.0178 -0.0013 1017 LEU A C \n2541 O O . LEU A 325 ? 0.9603 1.0889 1.2414 0.0449 -0.0201 0.0000 1017 LEU A O \n2542 C CB . LEU A 325 ? 1.1072 1.2053 1.3403 0.0410 -0.0233 -0.0031 1017 LEU A CB \n2543 C CG . LEU A 325 ? 1.3628 1.4608 1.5937 0.0346 -0.0258 -0.0014 1017 LEU A CG \n2544 C CD1 . LEU A 325 ? 1.4320 1.5260 1.6651 0.0327 -0.0351 -0.0003 1017 LEU A CD1 \n2545 C CD2 . LEU A 325 ? 1.2948 1.3856 1.5092 0.0310 -0.0236 -0.0020 1017 LEU A CD2 \n2546 C C1 . W32 B . ? 0.3488 0.3979 0.4502 -0.0021 -0.0090 -0.0069 1101 W32 A C1 \n2547 C C2 . W32 B . ? 0.3304 0.3824 0.4388 0.0006 -0.0086 -0.0068 1101 W32 A C2 \n2548 C C3 . W32 B . ? 0.3084 0.3425 0.3969 0.0079 -0.0063 -0.0070 1101 W32 A C3 \n2549 C C4 . W32 B . ? 0.3327 0.3768 0.4287 -0.0018 -0.0102 -0.0066 1101 W32 A C4 \n2550 C C5 . W32 B . ? 0.3174 0.3543 0.4079 0.0049 -0.0078 -0.0067 1101 W32 A C5 \n2551 C C6 . W32 B . ? 0.3119 0.3574 0.4166 0.0048 -0.0099 -0.0067 1101 W32 A C6 \n2552 C C7 . W32 B . ? 0.3057 0.3331 0.3928 0.0119 -0.0105 -0.0074 1101 W32 A C7 \n2553 C C8 . W32 B . ? 0.3558 0.3896 0.4565 0.0258 0.0003 -0.0094 1101 W32 A C8 \n2554 C C9 . W32 B . ? 0.4116 0.4324 0.4927 0.0225 -0.0010 -0.0092 1101 W32 A C9 \n2555 C C10 . W32 B . ? 0.2743 0.3251 0.3848 0.0040 -0.0089 -0.0066 1101 W32 A C10 \n2556 C C11 . W32 B . ? 0.3278 0.3571 0.4143 0.0114 -0.0073 -0.0074 1101 W32 A C11 \n2557 C C12 . W32 B . ? 0.3650 0.4069 0.4621 0.0017 -0.0109 -0.0066 1101 W32 A C12 \n2558 C C13 . W32 B . ? 0.3118 0.3462 0.4019 0.0051 -0.0108 -0.0067 1101 W32 A C13 \n2559 C C14 . W32 B . ? 0.3293 0.3590 0.4181 0.0086 -0.0125 -0.0070 1101 W32 A C14 \n2560 C C15 . W32 B . ? 0.3358 0.3580 0.4212 0.0274 0.0021 -0.0101 1101 W32 A C15 \n2561 C C16 . W32 B . ? 0.4117 0.4379 0.4987 0.0196 -0.0029 -0.0086 1101 W32 A C16 \n2562 C C17 . W32 B . ? 0.4094 0.4229 0.4802 0.0202 -0.0026 -0.0089 1101 W32 A C17 \n2563 C C18 . W32 B . ? 0.3766 0.3848 0.4408 0.0216 -0.0008 -0.0092 1101 W32 A C18 \n2564 C C19 . W32 B . ? 0.5119 0.5121 0.5659 0.0185 -0.0041 -0.0086 1101 W32 A C19 \n2565 C C20 . W32 B . ? 0.4085 0.4176 0.4743 0.0256 0.0042 -0.0100 1101 W32 A C20 \n2566 C C21 . W32 B . ? 0.3992 0.4070 0.4671 0.0306 0.0046 -0.0112 1101 W32 A C21 \n2567 C C22 . W32 B . ? 1.0864 1.0790 1.1254 0.0035 -0.0118 -0.0045 1101 W32 A C22 \n2568 C C23 . W32 B . ? 0.6635 0.6600 0.7102 0.0099 -0.0106 -0.0066 1101 W32 A C23 \n2569 C C24 . W32 B . ? 0.7736 0.7706 0.8194 0.0090 -0.0088 -0.0063 1101 W32 A C24 \n2570 C C25 . W32 B . ? 0.2907 0.3458 0.4100 0.0068 -0.0081 -0.0064 1101 W32 A C25 \n2571 N N26 . W32 B . ? 0.3345 0.3640 0.4305 0.0291 0.0030 -0.0102 1101 W32 A N26 \n2572 N N27 . W32 B . ? 0.3665 0.3987 0.4627 0.0212 -0.0024 -0.0087 1101 W32 A N27 \n2573 N N28 . W32 B . ? 0.3585 0.3756 0.4385 0.0312 0.0051 -0.0111 1101 W32 A N28 \n2574 N N29 . W32 B . ? 0.3213 0.3467 0.4044 0.0147 -0.0055 -0.0079 1101 W32 A N29 \n2575 N N30 . W32 B . ? 0.4898 0.4922 0.5444 0.0136 -0.0073 -0.0075 1101 W32 A N30 \n2576 O O31 . W32 B . ? 0.6301 0.6221 0.6755 0.0204 -0.0040 -0.0090 1101 W32 A O31 \n2577 O O32 . W32 B . ? 0.7976 0.7911 0.8373 0.0001 -0.0162 -0.0040 1101 W32 A O32 \n2578 O O33 . W32 B . ? 1.0303 1.0076 1.0557 0.0072 -0.0152 -0.0054 1101 W32 A O33 \n2579 O O34 . W32 B . ? 0.3399 0.3755 0.4303 0.0020 -0.0125 -0.0064 1101 W32 A O34 \n2580 F F35 . W32 B . ? 0.3839 0.4435 0.5071 0.0076 -0.0044 -0.0063 1101 W32 A F35 \n2581 F F36 . W32 B . ? 0.3739 0.4273 0.4947 0.0101 -0.0087 -0.0064 1101 W32 A F36 \n2582 F F37 . W32 B . ? 0.3464 0.4030 0.4690 0.0054 -0.0102 -0.0061 1101 W32 A F37 \n2583 S S38 . W32 B . ? 1.0567 1.0459 1.0932 0.0047 -0.0136 -0.0050 1101 W32 A S38 \n2584 CL CL1 . W32 B . ? 0.3946 0.4202 0.4828 0.0089 -0.0173 -0.0069 1101 W32 A CL1 \n# \nloop_\n_pdbx_poly_seq_scheme.asym_id \n_pdbx_poly_seq_scheme.entity_id \n_pdbx_poly_seq_scheme.seq_id \n_pdbx_poly_seq_scheme.mon_id \n_pdbx_poly_seq_scheme.ndb_seq_num \n_pdbx_poly_seq_scheme.pdb_seq_num \n_pdbx_poly_seq_scheme.auth_seq_num \n_pdbx_poly_seq_scheme.pdb_mon_id \n_pdbx_poly_seq_scheme.auth_mon_id \n_pdbx_poly_seq_scheme.pdb_strand_id \n_pdbx_poly_seq_scheme.pdb_ins_code \n_pdbx_poly_seq_scheme.hetero \nA 1 1 GLY 1 693 ? ? ? A . n \nA 1 2 ALA 2 694 ? ? ? A . n \nA 1 3 MET 3 695 ? ? ? A . n \nA 1 4 GLY 4 696 ? ? ? A . n \nA 1 5 GLU 5 697 ? ? ? A . n \nA 1 6 ALA 6 698 ? ? ? A . n \nA 1 7 PRO 7 699 ? ? ? A . n \nA 1 8 ASN 8 700 ? ? ? A . n \nA 1 9 GLN 9 701 701 GLN GLN A . n \nA 1 10 ALA 10 702 702 ALA ALA A . n \nA 1 11 LEU 11 703 703 LEU LEU A . n \nA 1 12 LEU 12 704 704 LEU LEU A . n \nA 1 13 ARG 13 705 705 ARG ARG A . n \nA 1 14 ILE 14 706 706 ILE ILE A . n \nA 1 15 LEU 15 707 707 LEU LEU A . n \nA 1 16 LYS 16 708 708 LYS LYS A . n \nA 1 17 GLU 17 709 709 GLU GLU A . n \nA 1 18 THR 18 710 710 THR THR A . n \nA 1 19 GLU 19 711 711 GLU GLU A . n \nA 1 20 PHE 20 712 712 PHE PHE A . n \nA 1 21 LYS 21 713 713 LYS LYS A . n \nA 1 22 LYS 22 714 714 LYS LYS A . n \nA 1 23 ILE 23 715 715 ILE ILE A . n \nA 1 24 LYS 24 716 716 LYS LYS A . n \nA 1 25 VAL 25 717 717 VAL VAL A . n \nA 1 26 LEU 26 718 718 LEU LEU A . n \nA 1 27 GLY 27 719 719 GLY GLY A . n \nA 1 28 SER 28 720 720 SER SER A . n \nA 1 29 GLY 29 721 721 GLY GLY A . n \nA 1 30 ALA 30 722 722 ALA ALA A . n \nA 1 31 PHE 31 723 723 PHE PHE A . n \nA 1 32 GLY 32 724 724 GLY GLY A . n \nA 1 33 THR 33 725 725 THR THR A . n \nA 1 34 VAL 34 726 726 VAL VAL A . n \nA 1 35 TYR 35 727 727 TYR TYR A . n \nA 1 36 LYS 36 728 728 LYS LYS A . n \nA 1 37 GLY 37 729 729 GLY GLY A . n \nA 1 38 LEU 38 730 730 LEU LEU A . n \nA 1 39 TRP 39 731 731 TRP TRP A . n \nA 1 40 ILE 40 732 732 ILE ILE A . n \nA 1 41 PRO 41 733 733 PRO PRO A . n \nA 1 42 GLU 42 734 734 GLU GLU A . n \nA 1 43 GLY 43 735 735 GLY GLY A . n \nA 1 44 GLU 44 736 736 GLU GLU A . n \nA 1 45 LYS 45 737 737 LYS LYS A . n \nA 1 46 VAL 46 738 738 VAL VAL A . n \nA 1 47 LYS 47 739 739 LYS LYS A . n \nA 1 48 ILE 48 740 740 ILE ILE A . n \nA 1 49 PRO 49 741 741 PRO PRO A . n \nA 1 50 VAL 50 742 742 VAL VAL A . n \nA 1 51 ALA 51 743 743 ALA ALA A . n \nA 1 52 ILE 52 744 744 ILE ILE A . n \nA 1 53 LYS 53 745 745 LYS LYS A . n \nA 1 54 GLU 54 746 746 GLU GLU A . n \nA 1 55 LEU 55 747 747 LEU LEU A . n \nA 1 56 ARG 56 748 748 ARG ARG A . n \nA 1 57 GLU 57 749 749 GLU GLU A . n \nA 1 58 ALA 58 750 750 ALA ALA A . n \nA 1 59 THR 59 751 751 THR THR A . n \nA 1 60 SER 60 752 752 SER SER A . n \nA 1 61 PRO 61 753 753 PRO PRO A . n \nA 1 62 LYS 62 754 754 LYS LYS A . n \nA 1 63 ALA 63 755 755 ALA ALA A . n \nA 1 64 ASN 64 756 756 ASN ASN A . n \nA 1 65 LYS 65 757 757 LYS LYS A . n \nA 1 66 GLU 66 758 758 GLU GLU A . n \nA 1 67 ILE 67 759 759 ILE ILE A . n \nA 1 68 LEU 68 760 760 LEU LEU A . n \nA 1 69 ASP 69 761 761 ASP ASP A . n \nA 1 70 GLU 70 762 762 GLU GLU A . n \nA 1 71 ALA 71 763 763 ALA ALA A . n \nA 1 72 TYR 72 764 764 TYR TYR A . n \nA 1 73 VAL 73 765 765 VAL VAL A . n \nA 1 74 MET 74 766 766 MET MET A . n \nA 1 75 ALA 75 767 767 ALA ALA A . n \nA 1 76 SER 76 768 768 SER SER A . n \nA 1 77 VAL 77 769 769 VAL VAL A . n \nA 1 78 ASP 78 770 770 ASP ASP A . n \nA 1 79 ASN 79 771 771 ASN ASN A . n \nA 1 80 PRO 80 772 772 PRO PRO A . n \nA 1 81 HIS 81 773 773 HIS HIS A . n \nA 1 82 VAL 82 774 774 VAL VAL A . n \nA 1 83 CYS 83 775 775 CYS CYS A . n \nA 1 84 ARG 84 776 776 ARG ARG A . n \nA 1 85 LEU 85 777 777 LEU LEU A . n \nA 1 86 LEU 86 778 778 LEU LEU A . n \nA 1 87 GLY 87 779 779 GLY GLY A . n \nA 1 88 ILE 88 780 780 ILE ILE A . n \nA 1 89 CYS 89 781 781 CYS CYS A . n \nA 1 90 LEU 90 782 782 LEU LEU A . n \nA 1 91 THR 91 783 783 THR THR A . n \nA 1 92 SER 92 784 784 SER SER A . n \nA 1 93 THR 93 785 785 THR THR A . n \nA 1 94 VAL 94 786 786 VAL VAL A . n \nA 1 95 GLN 95 787 787 GLN GLN A . n \nA 1 96 LEU 96 788 788 LEU LEU A . n \nA 1 97 ILE 97 789 789 ILE ILE A . n \nA 1 98 THR 98 790 790 THR THR A . n \nA 1 99 GLN 99 791 791 GLN GLN A . n \nA 1 100 LEU 100 792 792 LEU LEU A . n \nA 1 101 MET 101 793 793 MET MET A . n \nA 1 102 PRO 102 794 794 PRO PRO A . n \nA 1 103 PHE 103 795 795 PHE PHE A . n \nA 1 104 GLY 104 796 796 GLY GLY A . n \nA 1 105 CYS 105 797 797 CYS CYS A . n \nA 1 106 LEU 106 798 798 LEU LEU A . n \nA 1 107 LEU 107 799 799 LEU LEU A . n \nA 1 108 ASP 108 800 800 ASP ASP A . n \nA 1 109 TYR 109 801 801 TYR TYR A . n \nA 1 110 VAL 110 802 802 VAL VAL A . n \nA 1 111 ARG 111 803 803 ARG ARG A . n \nA 1 112 GLU 112 804 804 GLU GLU A . n \nA 1 113 HIS 113 805 805 HIS HIS A . n \nA 1 114 LYS 114 806 806 LYS LYS A . n \nA 1 115 ASP 115 807 807 ASP ASP A . n \nA 1 116 ASN 116 808 808 ASN ASN A . n \nA 1 117 ILE 117 809 809 ILE ILE A . n \nA 1 118 GLY 118 810 810 GLY GLY A . n \nA 1 119 SER 119 811 811 SER SER A . n \nA 1 120 GLN 120 812 812 GLN GLN A . n \nA 1 121 TYR 121 813 813 TYR TYR A . n \nA 1 122 LEU 122 814 814 LEU LEU A . n \nA 1 123 LEU 123 815 815 LEU LEU A . n \nA 1 124 ASN 124 816 816 ASN ASN A . n \nA 1 125 TRP 125 817 817 TRP TRP A . n \nA 1 126 CYS 126 818 818 CYS CYS A . n \nA 1 127 VAL 127 819 819 VAL VAL A . n \nA 1 128 GLN 128 820 820 GLN GLN A . n \nA 1 129 ILE 129 821 821 ILE ILE A . n \nA 1 130 ALA 130 822 822 ALA ALA A . n \nA 1 131 LYS 131 823 823 LYS LYS A . n \nA 1 132 GLY 132 824 824 GLY GLY A . n \nA 1 133 MET 133 825 825 MET MET A . n \nA 1 134 ASN 134 826 826 ASN ASN A . n \nA 1 135 TYR 135 827 827 TYR TYR A . n \nA 1 136 LEU 136 828 828 LEU LEU A . n \nA 1 137 GLU 137 829 829 GLU GLU A . n \nA 1 138 ASP 138 830 830 ASP ASP A . n \nA 1 139 ARG 139 831 831 ARG ARG A . n \nA 1 140 ARG 140 832 832 ARG ARG A . n \nA 1 141 LEU 141 833 833 LEU LEU A . n \nA 1 142 VAL 142 834 834 VAL VAL A . n \nA 1 143 HIS 143 835 835 HIS HIS A . n \nA 1 144 ARG 144 836 836 ARG ARG A . n \nA 1 145 ASP 145 837 837 ASP ASP A . n \nA 1 146 LEU 146 838 838 LEU LEU A . n \nA 1 147 ALA 147 839 839 ALA ALA A . n \nA 1 148 ALA 148 840 840 ALA ALA A . n \nA 1 149 ARG 149 841 841 ARG ARG A . n \nA 1 150 ASN 150 842 842 ASN ASN A . n \nA 1 151 VAL 151 843 843 VAL VAL A . n \nA 1 152 LEU 152 844 844 LEU LEU A . n \nA 1 153 VAL 153 845 845 VAL VAL A . n \nA 1 154 LYS 154 846 846 LYS LYS A . n \nA 1 155 THR 155 847 847 THR THR A . n \nA 1 156 PRO 156 848 848 PRO PRO A . n \nA 1 157 GLN 157 849 849 GLN GLN A . n \nA 1 158 HIS 158 850 850 HIS HIS A . n \nA 1 159 VAL 159 851 851 VAL VAL A . n \nA 1 160 LYS 160 852 852 LYS LYS A . n \nA 1 161 ILE 161 853 853 ILE ILE A . n \nA 1 162 THR 162 854 854 THR THR A . n \nA 1 163 ASP 163 855 855 ASP ASP A . n \nA 1 164 PHE 164 856 856 PHE PHE A . n \nA 1 165 GLY 165 857 857 GLY GLY A . n \nA 1 166 LEU 166 858 858 LEU LEU A . n \nA 1 167 ALA 167 859 859 ALA ALA A . n \nA 1 168 LYS 168 860 860 LYS LYS A . n \nA 1 169 LEU 169 861 861 LEU LEU A . n \nA 1 170 LEU 170 862 862 LEU LEU A . n \nA 1 171 GLY 171 863 863 GLY GLY A . n \nA 1 172 ALA 172 864 864 ALA ALA A . n \nA 1 173 GLU 173 865 865 GLU GLU A . n \nA 1 174 GLU 174 866 866 GLU GLU A . n \nA 1 175 LYS 175 867 867 LYS LYS A . n \nA 1 176 GLU 176 868 868 GLU GLU A . n \nA 1 177 TYR 177 869 869 TYR TYR A . n \nA 1 178 HIS 178 870 870 HIS HIS A . n \nA 1 179 ALA 179 871 871 ALA ALA A . n \nA 1 180 GLU 180 872 872 GLU GLU A . n \nA 1 181 GLY 181 873 873 GLY GLY A . n \nA 1 182 GLY 182 874 874 GLY GLY A . n \nA 1 183 LYS 183 875 875 LYS LYS A . n \nA 1 184 VAL 184 876 876 VAL VAL A . n \nA 1 185 PRO 185 877 877 PRO PRO A . n \nA 1 186 ILE 186 878 878 ILE ILE A . n \nA 1 187 LYS 187 879 879 LYS LYS A . n \nA 1 188 TRP 188 880 880 TRP TRP A . n \nA 1 189 MET 189 881 881 MET MET A . n \nA 1 190 ALA 190 882 882 ALA ALA A . n \nA 1 191 LEU 191 883 883 LEU LEU A . n \nA 1 192 GLU 192 884 884 GLU GLU A . n \nA 1 193 SER 193 885 885 SER SER A . n \nA 1 194 ILE 194 886 886 ILE ILE A . n \nA 1 195 LEU 195 887 887 LEU LEU A . n \nA 1 196 HIS 196 888 888 HIS HIS A . n \nA 1 197 ARG 197 889 889 ARG ARG A . n \nA 1 198 ILE 198 890 890 ILE ILE A . n \nA 1 199 TYR 199 891 891 TYR TYR A . n \nA 1 200 THR 200 892 892 THR THR A . n \nA 1 201 HIS 201 893 893 HIS HIS A . n \nA 1 202 GLN 202 894 894 GLN GLN A . n \nA 1 203 SER 203 895 895 SER SER A . n \nA 1 204 ASP 204 896 896 ASP ASP A . n \nA 1 205 VAL 205 897 897 VAL VAL A . n \nA 1 206 TRP 206 898 898 TRP TRP A . n \nA 1 207 SER 207 899 899 SER SER A . n \nA 1 208 TYR 208 900 900 TYR TYR A . n \nA 1 209 GLY 209 901 901 GLY GLY A . n \nA 1 210 VAL 210 902 902 VAL VAL A . n \nA 1 211 THR 211 903 903 THR THR A . n \nA 1 212 VAL 212 904 904 VAL VAL A . n \nA 1 213 TRP 213 905 905 TRP TRP A . n \nA 1 214 GLU 214 906 906 GLU GLU A . n \nA 1 215 LEU 215 907 907 LEU LEU A . n \nA 1 216 MET 216 908 908 MET MET A . n \nA 1 217 THR 217 909 909 THR THR A . n \nA 1 218 PHE 218 910 910 PHE PHE A . n \nA 1 219 GLY 219 911 911 GLY GLY A . n \nA 1 220 SER 220 912 912 SER SER A . n \nA 1 221 LYS 221 913 913 LYS LYS A . n \nA 1 222 PRO 222 914 914 PRO PRO A . n \nA 1 223 TYR 223 915 915 TYR TYR A . n \nA 1 224 ASP 224 916 916 ASP ASP A . n \nA 1 225 GLY 225 917 917 GLY GLY A . n \nA 1 226 ILE 226 918 918 ILE ILE A . n \nA 1 227 PRO 227 919 919 PRO PRO A . n \nA 1 228 ALA 228 920 920 ALA ALA A . n \nA 1 229 SER 229 921 921 SER SER A . n \nA 1 230 GLU 230 922 922 GLU GLU A . n \nA 1 231 ILE 231 923 923 ILE ILE A . n \nA 1 232 SER 232 924 924 SER SER A . n \nA 1 233 SER 233 925 925 SER SER A . n \nA 1 234 ILE 234 926 926 ILE ILE A . n \nA 1 235 LEU 235 927 927 LEU LEU A . n \nA 1 236 GLU 236 928 928 GLU GLU A . n \nA 1 237 LYS 237 929 929 LYS LYS A . n \nA 1 238 GLY 238 930 930 GLY GLY A . n \nA 1 239 GLU 239 931 931 GLU GLU A . n \nA 1 240 ARG 240 932 932 ARG ARG A . n \nA 1 241 LEU 241 933 933 LEU LEU A . n \nA 1 242 PRO 242 934 934 PRO PRO A . n \nA 1 243 GLN 243 935 935 GLN GLN A . n \nA 1 244 PRO 244 936 936 PRO PRO A . n \nA 1 245 PRO 245 937 937 PRO PRO A . n \nA 1 246 ILE 246 938 938 ILE ILE A . n \nA 1 247 CYS 247 939 939 CYS CYS A . n \nA 1 248 THR 248 940 940 THR THR A . n \nA 1 249 ILE 249 941 941 ILE ILE A . n \nA 1 250 ASP 250 942 942 ASP ASP A . n \nA 1 251 VAL 251 943 943 VAL VAL A . n \nA 1 252 TYR 252 944 944 TYR TYR A . n \nA 1 253 MET 253 945 945 MET MET A . n \nA 1 254 ILE 254 946 946 ILE ILE A . n \nA 1 255 MET 255 947 947 MET MET A . n \nA 1 256 VAL 256 948 948 VAL VAL A . n \nA 1 257 LYS 257 949 949 LYS LYS A . n \nA 1 258 CYS 258 950 950 CYS CYS A . n \nA 1 259 TRP 259 951 951 TRP TRP A . n \nA 1 260 MET 260 952 952 MET MET A . n \nA 1 261 ILE 261 953 953 ILE ILE A . n \nA 1 262 ASP 262 954 954 ASP ASP A . n \nA 1 263 ALA 263 955 955 ALA ALA A . n \nA 1 264 ASP 264 956 956 ASP ASP A . n \nA 1 265 SER 265 957 957 SER SER A . n \nA 1 266 ARG 266 958 958 ARG ARG A . n \nA 1 267 PRO 267 959 959 PRO PRO A . n \nA 1 268 LYS 268 960 960 LYS LYS A . n \nA 1 269 PHE 269 961 961 PHE PHE A . n \nA 1 270 ARG 270 962 962 ARG ARG A . n \nA 1 271 GLU 271 963 963 GLU GLU A . n \nA 1 272 LEU 272 964 964 LEU LEU A . n \nA 1 273 ILE 273 965 965 ILE ILE A . n \nA 1 274 ILE 274 966 966 ILE ILE A . n \nA 1 275 GLU 275 967 967 GLU GLU A . n \nA 1 276 PHE 276 968 968 PHE PHE A . n \nA 1 277 SER 277 969 969 SER SER A . n \nA 1 278 LYS 278 970 970 LYS LYS A . n \nA 1 279 MET 279 971 971 MET MET A . n \nA 1 280 ALA 280 972 972 ALA ALA A . n \nA 1 281 ARG 281 973 973 ARG ARG A . n \nA 1 282 ASP 282 974 974 ASP ASP A . n \nA 1 283 PRO 283 975 975 PRO PRO A . n \nA 1 284 GLN 284 976 976 GLN GLN A . n \nA 1 285 ARG 285 977 977 ARG ARG A . n \nA 1 286 TYR 286 978 978 TYR TYR A . n \nA 1 287 LEU 287 979 979 LEU LEU A . n \nA 1 288 VAL 288 980 980 VAL VAL A . n \nA 1 289 ILE 289 981 981 ILE ILE A . n \nA 1 290 GLN 290 982 982 GLN GLN A . n \nA 1 291 GLY 291 983 983 GLY GLY A . n \nA 1 292 ASP 292 984 984 ASP ASP A . n \nA 1 293 GLU 293 985 985 GLU GLU A . n \nA 1 294 ARG 294 986 986 ARG ARG A . n \nA 1 295 MET 295 987 987 MET MET A . n \nA 1 296 HIS 296 988 988 HIS HIS A . n \nA 1 297 LEU 297 989 989 LEU LEU A . n \nA 1 298 PRO 298 990 990 PRO PRO A . n \nA 1 299 SER 299 991 991 SER SER A . n \nA 1 300 PRO 300 992 992 PRO PRO A . n \nA 1 301 THR 301 993 993 THR THR A . n \nA 1 302 ASP 302 994 994 ASP ASP A . n \nA 1 303 SER 303 995 995 SER SER A . n \nA 1 304 ASN 304 996 996 ASN ASN A . n \nA 1 305 PHE 305 997 997 PHE PHE A . n \nA 1 306 TYR 306 998 998 TYR TYR A . n \nA 1 307 ARG 307 999 999 ARG ARG A . n \nA 1 308 ALA 308 1000 1000 ALA ALA A . n \nA 1 309 LEU 309 1001 1001 LEU LEU A . n \nA 1 310 MET 310 1002 1002 MET MET A . n \nA 1 311 ASP 311 1003 1003 ASP ASP A . n \nA 1 312 GLU 312 1004 1004 GLU GLU A . n \nA 1 313 GLU 313 1005 1005 GLU GLU A . n \nA 1 314 ASP 314 1006 1006 ASP ASP A . n \nA 1 315 MET 315 1007 1007 MET MET A . n \nA 1 316 ASP 316 1008 1008 ASP ASP A . n \nA 1 317 ASP 317 1009 1009 ASP ASP A . n \nA 1 318 VAL 318 1010 1010 VAL VAL A . n \nA 1 319 VAL 319 1011 1011 VAL VAL A . n \nA 1 320 ASP 320 1012 1012 ASP ASP A . n \nA 1 321 ALA 321 1013 1013 ALA ALA A . n \nA 1 322 ASP 322 1014 1014 ASP ASP A . n \nA 1 323 GLU 323 1015 1015 GLU GLU A . n \nA 1 324 TYR 324 1016 1016 TYR TYR A . n \nA 1 325 LEU 325 1017 1017 LEU LEU A . n \nA 1 326 ILE 326 1018 ? ? ? A . n \nA 1 327 PRO 327 1019 ? ? ? A . n \nA 1 328 GLN 328 1020 ? ? ? A . n \nA 1 329 GLN 329 1021 ? ? ? A . n \nA 1 330 GLY 330 1022 ? ? ? A . n \n# \n_pdbx_struct_assembly.id 1 \n_pdbx_struct_assembly.details author_and_software_defined_assembly \n_pdbx_struct_assembly.method_details PISA \n_pdbx_struct_assembly.oligomeric_details monomeric \n_pdbx_struct_assembly.oligomeric_count 1 \n# \n_pdbx_struct_assembly_gen.assembly_id 1 \n_pdbx_struct_assembly_gen.oper_expression 1 \n_pdbx_struct_assembly_gen.asym_id_list A,B,C,D \n# \n_pdbx_struct_oper_list.id 1 \n_pdbx_struct_oper_list.type 'identity operation' \n_pdbx_struct_oper_list.name 1_555 \n_pdbx_struct_oper_list.symmetry_operation x,y,z \n_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 \n_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 \n_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 \n_pdbx_struct_oper_list.vector[3] 0.0000000000 \n# \nloop_\n_pdbx_audit_revision_history.ordinal \n_pdbx_audit_revision_history.data_content_type \n_pdbx_audit_revision_history.major_revision \n_pdbx_audit_revision_history.minor_revision \n_pdbx_audit_revision_history.revision_date \n1 'Structure model' 1 0 2013-03-06 \n2 'Structure model' 1 1 2013-08-14 \n# \n_pdbx_audit_revision_details.ordinal 1 \n_pdbx_audit_revision_details.revision_ordinal 1 \n_pdbx_audit_revision_details.data_content_type 'Structure model' \n_pdbx_audit_revision_details.provider repository \n_pdbx_audit_revision_details.type 'Initial release' \n_pdbx_audit_revision_details.description ? \n# \n_pdbx_audit_revision_group.ordinal 1 \n_pdbx_audit_revision_group.revision_ordinal 2 \n_pdbx_audit_revision_group.data_content_type 'Structure model' \n_pdbx_audit_revision_group.group 'Database references' \n# \n_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' \n_pdbx_refine_tls.id 1 \n_pdbx_refine_tls.details ? \n_pdbx_refine_tls.method refined \n_pdbx_refine_tls.origin_x 18.7873 \n_pdbx_refine_tls.origin_y 25.9155 \n_pdbx_refine_tls.origin_z 14.3167 \n_pdbx_refine_tls.T[1][1] 0.0200 \n_pdbx_refine_tls.T[2][2] 0.0753 \n_pdbx_refine_tls.T[3][3] 0.1267 \n_pdbx_refine_tls.T[1][2] 0.0062 \n_pdbx_refine_tls.T[1][3] 0.0065 \n_pdbx_refine_tls.T[2][3] -0.0066 \n_pdbx_refine_tls.L[1][1] 0.1474 \n_pdbx_refine_tls.L[2][2] 0.8224 \n_pdbx_refine_tls.L[3][3] 0.5626 \n_pdbx_refine_tls.L[1][2] 0.1030 \n_pdbx_refine_tls.L[1][3] 0.2626 \n_pdbx_refine_tls.L[2][3] -0.0418 \n_pdbx_refine_tls.S[1][1] -0.0344 \n_pdbx_refine_tls.S[1][2] -0.0030 \n_pdbx_refine_tls.S[1][3] -0.0099 \n_pdbx_refine_tls.S[2][1] 0.0695 \n_pdbx_refine_tls.S[2][2] 0.0195 \n_pdbx_refine_tls.S[2][3] 0.0685 \n_pdbx_refine_tls.S[3][1] -0.0921 \n_pdbx_refine_tls.S[3][2] -0.0269 \n_pdbx_refine_tls.S[3][3] 0.0149 \n# \nloop_\n_pdbx_refine_tls_group.pdbx_refine_id \n_pdbx_refine_tls_group.id \n_pdbx_refine_tls_group.refine_tls_id \n_pdbx_refine_tls_group.beg_auth_asym_id \n_pdbx_refine_tls_group.beg_auth_seq_id \n_pdbx_refine_tls_group.beg_label_asym_id \n_pdbx_refine_tls_group.beg_label_seq_id \n_pdbx_refine_tls_group.end_auth_asym_id \n_pdbx_refine_tls_group.end_auth_seq_id \n_pdbx_refine_tls_group.end_label_asym_id \n_pdbx_refine_tls_group.end_label_seq_id \n_pdbx_refine_tls_group.selection \n_pdbx_refine_tls_group.selection_details \n'X-RAY DIFFRACTION' 1 1 A 701 ? ? A 1017 ? ? ? ? \n'X-RAY DIFFRACTION' 2 1 A 1101 ? ? A 1101 ? ? ? ? \n# \nloop_\n_software.name \n_software.classification \n_software.version \n_software.citation_id \n_software.pdbx_ordinal \nADSC 'data collection' Quantum ? 1 \nMOLREP phasing . ? 2 \nREFMAC refinement 5.7.0029 ? 3 \nHKL-2000 'data reduction' . ? 4 \nHKL-2000 'data scaling' . ? 5 \n# \nloop_\n_pdbx_validate_torsion.id \n_pdbx_validate_torsion.PDB_model_num \n_pdbx_validate_torsion.auth_comp_id \n_pdbx_validate_torsion.auth_asym_id \n_pdbx_validate_torsion.auth_seq_id \n_pdbx_validate_torsion.PDB_ins_code \n_pdbx_validate_torsion.label_alt_id \n_pdbx_validate_torsion.phi \n_pdbx_validate_torsion.psi \n1 1 LEU A 718 ? ? -97.29 -61.72 \n2 1 THR A 783 ? ? -137.24 -130.68 \n3 1 ARG A 836 ? ? 76.05 -4.36 \n4 1 ASP A 837 ? ? -148.74 39.52 \n5 1 ARG A 986 ? ? -100.19 60.75 \n6 1 ASP A 1008 ? ? -70.75 -90.39 \n# \nloop_\n_pdbx_unobs_or_zero_occ_residues.id \n_pdbx_unobs_or_zero_occ_residues.PDB_model_num \n_pdbx_unobs_or_zero_occ_residues.polymer_flag \n_pdbx_unobs_or_zero_occ_residues.occupancy_flag \n_pdbx_unobs_or_zero_occ_residues.auth_asym_id \n_pdbx_unobs_or_zero_occ_residues.auth_comp_id \n_pdbx_unobs_or_zero_occ_residues.auth_seq_id \n_pdbx_unobs_or_zero_occ_residues.PDB_ins_code \n_pdbx_unobs_or_zero_occ_residues.label_asym_id \n_pdbx_unobs_or_zero_occ_residues.label_comp_id \n_pdbx_unobs_or_zero_occ_residues.label_seq_id \n1 1 Y 1 A GLY 693 ? A GLY 1 \n2 1 Y 1 A ALA 694 ? A ALA 2 \n3 1 Y 1 A MET 695 ? A MET 3 \n4 1 Y 1 A GLY 696 ? A GLY 4 \n5 1 Y 1 A GLU 697 ? A GLU 5 \n6 1 Y 1 A ALA 698 ? A ALA 6 \n7 1 Y 1 A PRO 699 ? A PRO 7 \n8 1 Y 1 A ASN 700 ? A ASN 8 \n9 1 Y 1 A ILE 1018 ? A ILE 326 \n10 1 Y 1 A PRO 1019 ? A PRO 327 \n11 1 Y 1 A GLN 1020 ? A GLN 328 \n12 1 Y 1 A GLN 1021 ? A GLN 329 \n13 1 Y 1 A GLY 1022 ? A GLY 330 \n# \nloop_\n_pdbx_entity_nonpoly.entity_id \n_pdbx_entity_nonpoly.name \n_pdbx_entity_nonpoly.comp_id \n2 \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\nW32 \n3 'SULFATE ION' SO4 \n4 water HOH \n# \nloop_\n_pdbx_nonpoly_scheme.asym_id \n_pdbx_nonpoly_scheme.entity_id \n_pdbx_nonpoly_scheme.mon_id \n_pdbx_nonpoly_scheme.ndb_seq_num \n_pdbx_nonpoly_scheme.pdb_seq_num \n_pdbx_nonpoly_scheme.auth_seq_num \n_pdbx_nonpoly_scheme.pdb_mon_id \n_pdbx_nonpoly_scheme.auth_mon_id \n_pdbx_nonpoly_scheme.pdb_strand_id \n_pdbx_nonpoly_scheme.pdb_ins_code \nB 2 W32 1 1101 1101 W32 LIG A . \nC 3 SO4 1 1102 1102 SO4 SO4 A . \nD 4 HOH 1 2001 2001 HOH HOH A . \nD 4 HOH 2 2002 2002 HOH HOH A . \nD 4 HOH 3 2003 2003 HOH HOH A . \nD 4 HOH 4 2004 2004 HOH HOH A . \nD 4 HOH 5 2005 2005 HOH HOH A . \nD 4 HOH 6 2006 2006 HOH HOH A . \nD 4 HOH 7 2007 2007 HOH HOH A . \nD 4 HOH 8 2008 2008 HOH HOH A . \nD 4 HOH 9 2009 2009 HOH HOH A . \nD 4 HOH 10 2010 2010 HOH HOH A . \nD 4 HOH 11 2011 2011 HOH HOH A . \nD 4 HOH 12 2012 2012 HOH HOH A . \nD 4 HOH 13 2013 2013 HOH HOH A . \nD 4 HOH 14 2014 2014 HOH HOH A . \nD 4 HOH 15 2015 2015 HOH HOH A . \nD 4 HOH 16 2016 2016 HOH HOH A . \nD 4 HOH 17 2017 2017 HOH HOH A . \nD 4 HOH 18 2018 2018 HOH HOH A . \nD 4 HOH 19 2019 2019 HOH HOH A . \nD 4 HOH 20 2020 2020 HOH HOH A . \nD 4 HOH 21 2021 2021 HOH HOH A . \nD 4 HOH 22 2022 2022 HOH HOH A . \nD 4 HOH 23 2023 2023 HOH HOH A . \nD 4 HOH 24 2024 2024 HOH HOH A . \nD 4 HOH 25 2025 2025 HOH HOH A . \nD 4 HOH 26 2026 2026 HOH HOH A . \nD 4 HOH 27 2027 2027 HOH HOH A . \nD 4 HOH 28 2028 2028 HOH HOH A . \nD 4 HOH 29 2029 2029 HOH HOH A . \nD 4 HOH 30 2030 2030 HOH HOH A . \nD 4 HOH 31 2031 2031 HOH HOH A . \nD 4 HOH 32 2032 2032 HOH HOH A . \nD 4 HOH 33 2033 2033 HOH HOH A . \nD 4 HOH 34 2034 2034 HOH HOH A . \nD 4 HOH 35 2035 2035 HOH HOH A . \nD 4 HOH 36 2036 2036 HOH HOH A . \nD 4 HOH 37 2037 2037 HOH HOH A . \nD 4 HOH 38 2038 2038 HOH HOH A . \nD 4 HOH 39 2039 2039 HOH HOH A . \nD 4 HOH 40 2040 2040 HOH HOH A . \nD 4 HOH 41 2041 2041 HOH HOH A . \nD 4 HOH 42 2042 2042 HOH HOH A . \nD 4 HOH 43 2043 2043 HOH HOH A . \nD 4 HOH 44 2044 2044 HOH HOH A . \nD 4 HOH 45 2045 2045 HOH HOH A . \nD 4 HOH 46 2046 2046 HOH HOH A . \nD 4 HOH 47 2047 2047 HOH HOH A . \nD 4 HOH 48 2048 2048 HOH HOH A . \nD 4 HOH 49 2049 2049 HOH HOH A . \nD 4 HOH 50 2050 2050 HOH HOH A . \nD 4 HOH 51 2051 2051 HOH HOH A . \nD 4 HOH 52 2052 2052 HOH HOH A . \nD 4 HOH 53 2053 2053 HOH HOH A . \nD 4 HOH 54 2054 2054 HOH HOH A . \nD 4 HOH 55 2055 2055 HOH HOH A . \nD 4 HOH 56 2056 2056 HOH HOH A . \nD 4 HOH 57 2057 2057 HOH HOH A . \nD 4 HOH 58 2058 2058 HOH HOH A . \nD 4 HOH 59 2059 2059 HOH HOH A . \nD 4 HOH 60 2060 2060 HOH HOH A . \nD 4 HOH 61 2061 2061 HOH HOH A . \nD 4 HOH 62 2062 2062 HOH HOH A . \nD 4 HOH 63 2063 2063 HOH HOH A . \nD 4 HOH 64 2064 2064 HOH HOH A . \nD 4 HOH 65 2065 2065 HOH HOH A . \nD 4 HOH 66 2066 2066 HOH HOH A . \nD 4 HOH 67 2067 2067 HOH HOH A . \nD 4 HOH 68 2068 2068 HOH HOH A . \nD 4 HOH 69 2069 2069 HOH HOH A . \nD 4 HOH 70 2070 2070 HOH HOH A . \nD 4 HOH 71 2071 2071 HOH HOH A . \nD 4 HOH 72 2072 2072 HOH HOH A . \nD 4 HOH 73 2073 2073 HOH HOH A . \nD 4 HOH 74 2074 2074 HOH HOH A . \nD 4 HOH 75 2075 2075 HOH HOH A . \nD 4 HOH 76 2076 2076 HOH HOH A . \nD 4 HOH 77 2077 2077 HOH HOH A . \nD 4 HOH 78 2078 2078 HOH HOH A . \nD 4 HOH 79 2079 2079 HOH HOH A . \nD 4 HOH 80 2080 2080 HOH HOH A . \nD 4 HOH 81 2081 2081 HOH HOH A . \nD 4 HOH 82 2082 2082 HOH HOH A . \n# \n",
- "type": "blob"
- }
+ {
+ "binary": false,
+ "data": "HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-DEC-12 3W32\nTITLE MDANALYSIS FRAME 0: Created by PDBWriter\nCOMPND MOL_ID: 1;\nCOMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR;\nCOMPND 3 CHAIN: A;\nCOMPND 4 FRAGMENT: KINASE DOMAIN, UNP RESIDUES 696-1022;\nCOMPND 5 SYNONYM: PROTO-ONCOGENE C-ERBB-1, RECEPTOR TYROSINE-PROTEIN KINASE\nCOMPND 6 ERBB-1;\nCOMPND 7 EC: 2.7.10.1;\nCOMPND 8 ENGINEERED: YES\nREMARK 2\nREMARK 2 RESOLUTION. 1.80 ANGSTROMS.\nREMARK 3\nREMARK 3 REFINEMENT.\nREMARK 3 PROGRAM : REFMAC 5.7.0029\nREMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON\nREMARK 3\nREMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD\nREMARK 3\nREMARK 3 DATA USED IN REFINEMENT.\nREMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80\nREMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00\nREMARK 3 DATA CUTOFF (SIGMA(F)) : NULL\nREMARK 3 COMPLETENESS FOR RANGE (%) : 99.0\nREMARK 3 NUMBER OF REFLECTIONS : 29096\nREMARK 3\nREMARK 3 FIT TO DATA USED IN REFINEMENT.\nREMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT\nREMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM\nREMARK 3 R VALUE (WORKING + TEST SET) : 0.202\nREMARK 3 R VALUE (WORKING SET) : 0.200\nREMARK 3 FREE R VALUE : 0.236\nREMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000\nREMARK 3 FREE R VALUE TEST SET COUNT : 1539\nREMARK 3\nREMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.\nREMARK 3 TOTAL NUMBER OF BINS USED : 20\nREMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80\nREMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85\nREMARK 3 REFLECTION IN BIN (WORKING SET) : 2043\nREMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.73\nREMARK 3 BIN R VALUE (WORKING SET) : 0.3070\nREMARK 3 BIN FREE R VALUE SET COUNT : 110\nREMARK 3 BIN FREE R VALUE : 0.3440\nREMARK 3\nREMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.\nREMARK 3 PROTEIN ATOMS : 2545\nREMARK 3 NUCLEIC ACID ATOMS : 0\nREMARK 3 HETEROGEN ATOMS : 44\nREMARK 3 SOLVENT ATOMS : 82\nREMARK 3\nREMARK 3 B VALUES.\nREMARK 3 FROM WILSON PLOT (A**2) : NULL\nREMARK 3 MEAN B VALUE (OVERALL, A**2) : 46.45\nREMARK 3 OVERALL ANISOTROPIC B VALUE.\nREMARK 3 B11 (A**2) : 3.86000\nREMARK 3 B22 (A**2) : 0.11000\nREMARK 3 B33 (A**2) : -3.97000\nREMARK 3 B12 (A**2) : -0.00000\nREMARK 3 B13 (A**2) : -0.00000\nREMARK 3 B23 (A**2) : -0.00000\nREMARK 3\nREMARK 3 ESTIMATED OVERALL COORDINATE ERROR.\nREMARK 3 ESU BASED ON R VALUE (A): 0.141\nREMARK 3 ESU BASED ON FREE R VALUE (A): 0.131\nREMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.103\nREMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.930\nREMARK 3\nREMARK 3 CORRELATION COEFFICIENTS.\nREMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962\nREMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.943\nREMARK 3\nREMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT\nREMARK 3 BOND LENGTHS REFINED ATOMS (A): 2647 ; 0.009 ; 0.019\nREMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3587 ; 1.362 ; 1.995\nREMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL\nREMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 316 ; 5.462 ; 5.000\nREMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 114 ;34.868 ;24.123\nREMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 481 ;14.009 ;15.000\nREMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;16.236 ;15.000\nREMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 393 ; 0.092 ; 0.200\nREMARK 3 GENERAL PLANES REFINED ATOMS (A): 2017 ; 0.006 ; 0.021\nREMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 NCS RESTRAINTS STATISTICS\nREMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL\nREMARK 3\nREMARK 3 TLS DETAILS\nREMARK 3 NUMBER OF TLS GROUPS : 1\nREMARK 3\nREMARK 3 TLS GROUP : 1\nREMARK 3 NUMBER OF COMPONENTS GROUP : 2\nREMARK 3 COMPONENTS C SSSEQI TO C SSSEQI\nREMARK 3 RESIDUE RANGE : A 701 A 1017\nREMARK 3 RESIDUE RANGE : A 1101 A 1101\nREMARK 3 ORIGIN FOR THE GROUP (A): 18.7873 25.9155 14.3167\nREMARK 3 T TENSOR\nREMARK 3 T11: 0.0200 T22: 0.0753\nREMARK 3 T33: 0.1267 T12: 0.0062\nREMARK 3 T13: 0.0065 T23: -0.0066\nREMARK 3 L TENSOR\nREMARK 3 L11: 0.1474 L22: 0.8224\nREMARK 3 L33: 0.5626 L12: 0.1030\nREMARK 3 L13: 0.2626 L23: -0.0418\nREMARK 3 S TENSOR\nREMARK 3 S11: -0.0344 S12: -0.0030 S13: -0.0099\nREMARK 3 S21: 0.0695 S22: 0.0195 S23: 0.0685\nREMARK 3 S31: -0.0921 S32: -0.0269 S33: 0.0149\nREMARK 3\nREMARK 3 BULK SOLVENT MODELLING.\nREMARK 3 METHOD USED : MASK\nREMARK 3 PARAMETERS FOR MASK CALCULATION\nREMARK 3 VDW PROBE RADIUS : 1.40\nREMARK 3 ION PROBE RADIUS : 0.80\nREMARK 3 SHRINKAGE RADIUS : 0.80\nREMARK 3\nREMARK 3 OTHER REFINEMENT REMARKS: NULL\nREMARK 4\nREMARK 4 3W32 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11\nREMARK 100\nREMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-DEC-12.\nREMARK 100 THE RCSB ID CODE IS RCSB095823.\nREMARK 200\nREMARK 200 EXPERIMENTAL DETAILS\nREMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION\nREMARK 200 DATE OF DATA COLLECTION : 21-DEC-11\nREMARK 200 TEMPERATURE (KELVIN) : 100\nREMARK 200 PH : 5.5\nREMARK 200 NUMBER OF CRYSTALS USED : 1\nREMARK 200\nREMARK 200 SYNCHROTRON (Y/N) : Y\nREMARK 200 RADIATION SOURCE : ALS\nREMARK 200 BEAMLINE : 5.0.3\nREMARK 200 X-RAY GENERATOR MODEL : NULL\nREMARK 200 MONOCHROMATIC OR LAUE (M/L) : M\nREMARK 200 WAVELENGTH OR RANGE (A) : 0.97649\nREMARK 200 MONOCHROMATOR : NULL\nREMARK 200 OPTICS : NULL\nREMARK 200\nREMARK 200 DETECTOR TYPE : CCD\nREMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R\nREMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000\nREMARK 200 DATA SCALING SOFTWARE : HKL-2000\nREMARK 200\nREMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30817\nREMARK 200 RESOLUTION RANGE HIGH (A) : 1.800\nREMARK 200 RESOLUTION RANGE LOW (A) : 50.000\nREMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL\nREMARK 200\nREMARK 200 OVERALL.\nREMARK 200 COMPLETENESS FOR RANGE (%) : 99.7\nREMARK 200 DATA REDUNDANCY : 4.800\nREMARK 200 R MERGE (I) : NULL\nREMARK 200 R SYM (I) : 0.05400\nREMARK 200 FOR THE DATA SET : 26.1000\nREMARK 200\nREMARK 200 IN THE HIGHEST RESOLUTION SHELL.\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.83\nREMARK 200 COMPLETENESS FOR SHELL (%) : 99.9\nREMARK 200 DATA REDUNDANCY IN SHELL : 4.90\nREMARK 200 R MERGE FOR SHELL (I) : NULL\nREMARK 200 R SYM FOR SHELL (I) : 0.89800\nREMARK 200 FOR SHELL : 2.000\nREMARK 200\nREMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH\nREMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT\nREMARK 200 SOFTWARE USED: MOLREP\nREMARK 200 STARTING MODEL: 1XKK\nREMARK 200\nREMARK 200 REMARK: NULL\nREMARK 280\nREMARK 280 CRYSTAL\nREMARK 280 SOLVENT CONTENT, VS (%): 43.59\nREMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18\nREMARK 280\nREMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES, 0.2M LITHIUM SULFATE,\nREMARK 25%\nREMARK 280 PEG 3350, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE\nREMARK 298K\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY\nREMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21\nREMARK 290\nREMARK 290 SYMOP SYMMETRY\nREMARK 290 NNNMMM OPERATOR\nREMARK 290 1555 X,Y,Z\nREMARK 290 2555 -X+1/2,-Y,Z+1/2\nREMARK 290 3555 -X,Y+1/2,-Z+1/2\nREMARK 290 4555 X+1/2,-Y+1/2,-Z\nREMARK 290\nREMARK 290 WHERE NNN -> OPERATOR NUMBER\nREMARK 290 MMM -> TRANSLATION VECTOR\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS\nREMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM\nREMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY\nREMARK 290 RELATED MOLECULES.\nREMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.63650\nREMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.63650\nREMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000\nREMARK 290\nREMARK 290 REMARK: NULL\nREMARK 300\nREMARK 300 BIOMOLECULE: 1\nREMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM\nREMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN\nREMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON\nREMARK 300 BURIED SURFACE AREA.\nREMARK 350\nREMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN\nREMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE\nREMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS\nREMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND\nREMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.\nREMARK 350\nREMARK 350 BIOMOLECULE: 1\nREMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC\nREMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC\nREMARK 350 SOFTWARE USED: PISA\nREMARK 350 APPLY THE FOLLOWING TO CHAINS: A\nREMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 465\nREMARK 465 MISSING RESIDUES\nREMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE\nREMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN\nREMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)\nREMARK 465\nREMARK 465 M RES C SSSEQI\nREMARK 465 GLY A 693\nREMARK 465 ALA A 694\nREMARK 465 MET A 695\nREMARK 465 GLY A 696\nREMARK 465 GLU A 697\nREMARK 465 ALA A 698\nREMARK 465 PRO A 699\nREMARK 465 ASN A 700\nREMARK 465 ILE A 1018\nREMARK 465 PRO A 1019\nREMARK 465 GLN A 1020\nREMARK 465 GLN A 1021\nREMARK 465 GLY A 1022\nREMARK 500\nREMARK 500 GEOMETRY AND STEREOCHEMISTRY\nREMARK 500 SUBTOPIC: TORSION ANGLES\nREMARK 500\nREMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:\nREMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;\nREMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).\nREMARK 500\nREMARK 500 STANDARD TABLE:\nREMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)\nREMARK 500\nREMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-\nREMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400\nREMARK 500\nREMARK 500 M RES CSSEQI PSI PHI\nREMARK 500 LEU A 718 -61.72 -97.29\nREMARK 500 THR A 783 -130.68 -137.24\nREMARK 500 ARG A 836 -4.36 76.05\nREMARK 500 ASP A 837 39.52 -148.74\nREMARK 500 ARG A 986 60.75 -100.19\nREMARK 500 ASP A1008 -90.39 -70.75\nREMARK 500\nREMARK 500 REMARK: NULL\nREMARK 800\nREMARK 800 SITE\nREMARK 800 SITE_IDENTIFIER: AC1\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE W32 A 1101\nREMARK 800\nREMARK 800 SITE_IDENTIFIER: AC2\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1102\nREMARK 900\nREMARK 900 RELATED ENTRIES\nREMARK 900 RELATED ID: 3POZ RELATED DB: PDB\nREMARK 900 RELATED ID: 3W33 RELATED DB: PDB\nCRYST1 46.443 68.306 103.273 90.00 90.00 90.00 P 1 1\nATOM 1 N GLN A 701 -0.023 33.326 -4.411 1.00 47.95 A N\nATOM 2 CA GLN A 701 -0.291 31.978 -3.835 1.00 50.95 A C\nATOM 3 C GLN A 701 0.946 31.062 -3.957 1.00 47.20 A C\nATOM 4 O GLN A 701 0.876 29.863 -3.659 1.00 47.25 A O\nATOM 5 CB GLN A 701 -1.501 31.341 -4.517 1.00 64.85 A C\nATOM 6 CG GLN A 701 -2.441 30.619 -3.562 1.00 84.93 A C\nATOM 7 CD GLN A 701 -3.514 29.816 -4.282 1.00102.47 A C\nATOM 8 OE1 GLN A 701 -4.681 30.215 -4.329 1.00 95.64 A O\nATOM 9 NE2 GLN A 701 -3.123 28.679 -4.849 1.00100.38 A N\nATOM 10 N ALA A 702 2.069 31.642 -4.384 1.00 45.71 A N\nATOM 11 CA ALA A 702 3.343 30.929 -4.498 1.00 43.17 A C\nATOM 12 C ALA A 702 3.775 30.322 -3.161 1.00 47.99 A C\nATOM 13 O ALA A 702 3.538 30.924 -2.110 1.00 44.37 A O\nATOM 14 CB ALA A 702 4.416 31.882 -5.023 1.00 42.30 A C\nATOM 15 N LEU A 703 4.401 29.139 -3.199 1.00 38.24 A N\nATOM 16 CA LEU A 703 5.009 28.552 -2.003 1.00 37.89 A C\nATOM 17 C LEU A 703 6.142 29.430 -1.494 1.00 37.81 A C\nATOM 18 O LEU A 703 6.222 29.735 -0.302 1.00 39.19 A O\nATOM 19 CB LEU A 703 5.530 27.130 -2.289 1.00 36.07 A C\nATOM 20 CG LEU A 703 5.658 26.188 -1.082 1.00 46.85 A C\nATOM 21 CD1 LEU A 703 4.475 26.310 -0.125 1.00 49.71 A C\nATOM 22 CD2 LEU A 703 5.791 24.740 -1.541 1.00 44.12 A C\nATOM 23 N LEU A 704 7.016 29.822 -2.415 1.00 33.81 A N\nATOM 24 CA LEU A 704 8.054 30.799 -2.155 1.00 32.97 A C\nATOM 25 C LEU A 704 7.590 32.151 -2.677 1.00 34.88 A C\nATOM 26 O LEU A 704 7.644 32.424 -3.878 1.00 34.62 A O\nATOM 27 CB LEU A 704 9.371 30.386 -2.831 1.00 33.39 A C\nATOM 28 CG LEU A 704 10.591 31.295 -2.585 1.00 38.51 A C\nATOM 29 CD1 LEU A 704 10.953 31.361 -1.104 1.00 34.30 A C\nATOM 30 CD2 LEU A 704 11.796 30.854 -3.421 1.00 39.10 A C\nATOM 31 N ARG A 705 7.120 33.006 -1.775 1.00 35.37 A N\nATOM 32 CA ARG A 705 6.680 34.346 -2.183 1.00 37.73 A C\nATOM 33 C ARG A 705 7.840 35.253 -2.555 1.00 41.05 A C\nATOM 34 O ARG A 705 8.844 35.319 -1.838 1.00 40.80 A O\nATOM 35 CB ARG A 705 5.837 34.997 -1.093 1.00 46.62 A C\nATOM 36 CG ARG A 705 4.460 34.388 -0.965 1.00 48.65 A C\nATOM 37 CD ARG A 705 3.829 34.763 0.358 1.00 65.57 A C\nATOM 38 NE ARG A 705 2.514 35.377 0.173 1.00 86.68 A N\nATOM 39 CZ ARG A 705 1.353 34.757 0.356 1.00 93.12 A C\nATOM 40 NH1 ARG A 705 1.317 33.485 0.736 1.00 98.53 A N\nATOM 41 NH2 ARG A 705 0.220 35.417 0.161 1.00 92.67 A N\nATOM 42 N ILE A 706 7.698 35.943 -3.686 1.00 39.60 A N\nATOM 43 CA ILE A 706 8.700 36.898 -4.116 1.00 43.49 A C\nATOM 44 C ILE A 706 8.207 38.234 -3.610 1.00 47.29 A C\nATOM 45 O ILE A 706 7.260 38.798 -4.160 1.00 44.25 A O\nATOM 46 CB ILE A 706 8.837 36.961 -5.649 1.00 52.42 A C\nATOM 47 CG1 ILE A 706 9.004 35.559 -6.256 1.00 51.04 A C\nATOM 48 CG2 ILE A 706 9.975 37.897 -6.048 1.00 53.78 A C\nATOM 49 CD1 ILE A 706 10.122 34.729 -5.654 1.00 43.80 A C\nATOM 50 N LEU A 707 8.836 38.729 -2.552 1.00 44.78 A N\nATOM 51 CA LEU A 707 8.365 39.947 -1.911 1.00 45.23 A C\nATOM 52 C LEU A 707 9.109 41.154 -2.458 1.00 51.28 A C\nATOM 53 O LEU A 707 10.318 41.092 -2.692 1.00 49.23 A O\nATOM 54 CB LEU A 707 8.544 39.881 -0.391 1.00 47.65 A C\nATOM 55 CG LEU A 707 8.012 38.705 0.428 1.00 54.52 A C\nATOM 56 CD1 LEU A 707 8.324 38.928 1.896 1.00 43.38 A C\nATOM 57 CD2 LEU A 707 6.521 38.497 0.232 1.00 44.93 A C\nATOM 58 N LYS A 708 8.366 42.237 -2.676 1.00 49.18 A N\nATOM 59 CA LYS A 708 8.936 43.529 -3.035 1.00 61.50 A C\nATOM 60 C LYS A 708 9.393 44.224 -1.768 1.00 50.76 A C\nATOM 61 O LYS A 708 8.770 44.070 -0.717 1.00 45.43 A O\nATOM 62 CB LYS A 708 7.891 44.407 -3.729 1.00 62.24 A C\nATOM 63 CG LYS A 708 7.556 44.004 -5.157 1.00 77.38 A C\nATOM 64 CD LYS A 708 6.048 43.943 -5.381 1.00 92.20 A C\nATOM 65 CE LYS A 708 5.334 45.228 -4.984 1.00 96.25 A C\nATOM 66 NZ LYS A 708 3.853 45.097 -5.081 1.00100.00 A N\nATOM 67 N GLU A 709 10.473 44.994 -1.879 1.00 51.48 A N\nATOM 68 CA GLU A 709 11.019 45.768 -0.758 1.00 53.55 A C\nATOM 69 C GLU A 709 9.963 46.612 -0.044 1.00 57.51 A C\nATOM 70 O GLU A 709 10.016 46.795 1.175 1.00 53.23 A O\nATOM 71 CB GLU A 709 12.169 46.651 -1.235 1.00 59.31 A C\nATOM 72 CG GLU A 709 13.434 45.873 -1.562 1.00 72.06 A C\nATOM 73 CD GLU A 709 14.597 46.768 -1.940 1.00 93.68 A C\nATOM 74 OE1 GLU A 709 15.553 46.867 -1.141 1.00 83.68 A O\nATOM 75 OE2 GLU A 709 14.556 47.370 -3.037 1.00102.62 A O\nATOM 76 N THR A 710 9.000 47.113 -0.809 1.00 57.55 A N\nATOM 77 CA THR A 710 7.909 47.910 -0.252 1.00 61.28 A C\nATOM 78 C THR A 710 6.964 47.093 0.638 1.00 54.24 A C\nATOM 79 O THR A 710 6.198 47.661 1.416 1.00 57.81 A O\nATOM 80 CB THR A 710 7.093 48.606 -1.364 1.00 63.46 A C\nATOM 81 OG1 THR A 710 6.576 47.624 -2.275 1.00 63.38 A O\nATOM 82 CG2 THR A 710 7.958 49.614 -2.128 1.00 61.93 A C\nATOM 83 N GLU A 711 7.034 45.765 0.530 1.00 50.22 A N\nATOM 84 CA GLU A 711 6.124 44.862 1.239 1.00 56.68 A C\nATOM 85 C GLU A 711 6.551 44.536 2.659 1.00 57.72 A C\nATOM 86 O GLU A 711 5.754 44.024 3.451 1.00 52.39 A O\nATOM 87 CB GLU A 711 6.023 43.535 0.507 1.00 61.93 A C\nATOM 88 CG GLU A 711 5.118 43.514 -0.698 1.00 62.49 A C\nATOM 89 CD GLU A 711 5.016 42.116 -1.252 1.00 59.26 A C\nATOM 90 OE1 GLU A 711 5.574 41.880 -2.337 1.00 54.03 A O\nATOM 91 OE2 GLU A 711 4.413 41.250 -0.581 1.00 74.56 A O\nATOM 92 N PHE A 712 7.816 44.782 2.967 1.00 48.75 A N\nATOM 93 CA PHE A 712 8.343 44.449 4.291 1.00 54.26 A C\nATOM 94 C PHE A 712 9.321 45.508 4.795 1.00 45.27 A C\nATOM 95 O PHE A 712 9.920 46.235 4.000 1.00 48.92 A O\nATOM 96 CB PHE A 712 8.976 43.045 4.294 1.00 46.56 A C\nATOM 97 CG PHE A 712 10.222 42.928 3.457 1.00 42.91 A C\nATOM 98 CD1 PHE A 712 11.483 43.010 4.046 1.00 51.07 A C\nATOM 99 CD2 PHE A 712 10.147 42.734 2.077 1.00 46.22 A C\nATOM 100 CE1 PHE A 712 12.644 42.902 3.285 1.00 44.32 A C\nATOM 101 CE2 PHE A 712 11.308 42.632 1.312 1.00 42.45 A C\nATOM 102 CZ PHE A 712 12.558 42.714 1.917 1.00 46.72 A C\nATOM 103 N LYS A 713 9.481 45.577 6.115 1.00 46.12 A N\nATOM 104 CA LYS A 713 10.320 46.606 6.756 1.00 45.30 A C\nATOM 105 C LYS A 713 11.170 46.000 7.867 1.00 49.56 A C\nATOM 106 O LYS A 713 10.647 45.280 8.717 1.00 45.46 A O\nATOM 107 CB LYS A 713 9.456 47.720 7.356 1.00 49.90 A C\nATOM 108 CG LYS A 713 8.771 48.628 6.353 1.00 61.39 A C\nATOM 109 CD LYS A 713 7.824 49.599 7.050 1.00 81.27 A C\nATOM 110 CE LYS A 713 6.888 50.280 6.056 1.00 69.86 A C\nATOM 111 NZ LYS A 713 6.043 51.324 6.705 1.00 75.33 A N\nATOM 112 N LYS A 714 12.471 46.301 7.847 1.00 42.35 A N\nATOM 113 CA LYS A 714 13.389 45.951 8.930 1.00 46.11 A C\nATOM 114 C LYS A 714 13.160 46.943 10.061 1.00 49.85 A C\nATOM 115 O LYS A 714 13.256 48.154 9.856 1.00 46.66 A O\nATOM 116 CB LYS A 714 14.845 46.063 8.477 1.00 49.54 A C\nATOM 117 CG LYS A 714 15.287 45.129 7.369 1.00 53.76 A C\nATOM 118 CD LYS A 714 16.780 45.310 7.156 1.00 53.79 A C\nATOM 119 CE LYS A 714 17.258 44.686 5.862 1.00 52.83 A C\nATOM 120 NZ LYS A 714 16.787 45.457 4.676 1.00 51.68 A N\nATOM 121 N ILE A 715 12.852 46.439 11.251 1.00 41.67 A N\nATOM 122 CA ILE A 715 12.489 47.317 12.368 1.00 48.15 A C\nATOM 123 C ILE A 715 13.658 47.486 13.336 1.00 52.85 A C\nATOM 124 O ILE A 715 14.015 48.611 13.693 1.00 49.85 A O\nATOM 125 CB ILE A 715 11.191 46.843 13.061 1.00 41.49 A C\nATOM 126 CG1 ILE A 715 10.029 47.003 12.077 1.00 54.99 A C\nATOM 127 CG2 ILE A 715 10.918 47.629 14.339 1.00 47.96 A C\nATOM 128 CD1 ILE A 715 8.670 46.667 12.641 1.00 54.20 A C\nATOM 129 N LYS A 716 14.260 46.369 13.744 1.00 43.46 A N\nATOM 130 CA LYS A 716 15.429 46.392 14.621 1.00 42.49 A C\nATOM 131 C LYS A 716 16.392 45.271 14.247 1.00 45.76 A C\nATOM 132 O LYS A 716 15.983 44.237 13.719 1.00 37.65 A O\nATOM 133 CB LYS A 716 15.018 46.242 16.094 1.00 41.41 A C\nATOM 134 CG LYS A 716 14.316 47.443 16.710 1.00 50.17 A C\nATOM 135 CD LYS A 716 15.288 48.548 17.111 1.00 45.61 A C\nATOM 136 CE LYS A 716 14.606 49.912 17.154 1.00 50.59 A C\nATOM 137 NZ LYS A 716 13.715 50.066 18.332 1.00 57.19 A N\nATOM 138 N VAL A 717 17.673 45.475 14.541 1.00 41.16 A N\nATOM 139 CA VAL A 717 18.678 44.442 14.362 1.00 44.05 A C\nATOM 140 C VAL A 717 18.537 43.387 15.446 1.00 43.45 A C\nATOM 141 O VAL A 717 18.310 43.709 16.608 1.00 42.18 A O\nATOM 142 CB VAL A 717 20.107 45.009 14.449 1.00 51.16 A C\nATOM 143 CG1 VAL A 717 21.126 43.887 14.314 1.00 47.71 A C\nATOM 144 CG2 VAL A 717 20.336 46.059 13.379 1.00 50.70 A C\nATOM 145 N LEU A 718 18.670 42.119 15.068 1.00 37.54 A N\nATOM 146 CA LEU A 718 18.797 41.074 16.067 1.00 33.15 A C\nATOM 147 C LEU A 718 20.279 40.757 16.246 1.00 37.30 A C\nATOM 148 O LEU A 718 20.810 40.967 17.326 1.00 35.69 A O\nATOM 149 CB LEU A 718 17.938 39.850 15.721 1.00 36.59 A C\nATOM 150 CG LEU A 718 16.428 40.166 15.737 1.00 36.86 A C\nATOM 151 CD1 LEU A 718 15.544 39.021 15.239 1.00 37.85 A C\nATOM 152 CD2 LEU A 718 15.991 40.593 17.131 1.00 43.64 A C\nATOM 153 N GLY A 719 20.953 40.292 15.192 1.00 36.46 A N\nATOM 154 CA GLY A 719 22.388 39.991 15.276 1.00 44.27 A C\nATOM 155 C GLY A 719 23.000 39.439 14.002 1.00 57.08 A C\nATOM 156 O GLY A 719 22.282 39.077 13.066 1.00 53.06 A O\nATOM 157 N SER A 720 24.332 39.364 13.984 1.00 50.75 A N\nATOM 158 CA SER A 720 25.091 38.813 12.856 1.00 51.92 A C\nATOM 159 C SER A 720 25.623 37.404 13.118 1.00 49.94 A C\nATOM 160 O SER A 720 25.669 36.937 14.256 1.00 55.24 A O\nATOM 161 CB SER A 720 26.258 39.736 12.495 1.00 63.92 A C\nATOM 162 OG SER A 720 25.807 40.883 11.797 1.00 68.03 A O\nATOM 163 N GLY A 721 26.029 36.737 12.043 1.00 57.18 A N\nATOM 164 CA GLY A 721 26.598 35.399 12.113 1.00 57.01 A C\nATOM 165 C GLY A 721 27.510 35.199 10.922 1.00 63.27 A C\nATOM 166 O GLY A 721 27.672 36.108 10.098 1.00 61.34 A O\nATOM 167 N ALA A 722 28.107 34.012 10.835 1.00 71.41 A N\nATOM 168 CA ALA A 722 28.983 33.644 9.716 1.00 73.15 A C\nATOM 169 C ALA A 722 28.313 33.834 8.352 1.00 71.72 A C\nATOM 170 O ALA A 722 28.929 34.359 7.417 1.00 59.12 A O\nATOM 171 CB ALA A 722 29.472 32.207 9.870 1.00 75.65 A C\nATOM 172 N PHE A 723 27.048 33.425 8.245 1.00 55.28 A N\nATOM 173 CA PHE A 723 26.364 33.451 6.959 1.00 45.36 A C\nATOM 174 C PHE A 723 25.582 34.728 6.671 1.00 48.16 A C\nATOM 175 O PHE A 723 25.209 34.967 5.523 1.00 48.85 A O\nATOM 176 CB PHE A 723 25.478 32.207 6.773 1.00 54.29 A C\nATOM 177 CG PHE A 723 26.238 30.908 6.806 1.00 54.47 A C\nATOM 178 CD1 PHE A 723 25.767 29.831 7.558 1.00 50.67 A C\nATOM 179 CD2 PHE A 723 27.441 30.759 6.102 1.00 49.42 A C\nATOM 180 CE1 PHE A 723 26.475 28.635 7.608 1.00 55.72 A C\nATOM 181 CE2 PHE A 723 28.142 29.562 6.141 1.00 43.55 A C\nATOM 182 CZ PHE A 723 27.667 28.504 6.905 1.00 48.56 A C\nATOM 183 N GLY A 724 25.325 35.543 7.693 1.00 43.86 A N\nATOM 184 CA GLY A 724 24.590 36.788 7.469 1.00 31.49 A C\nATOM 185 C GLY A 724 24.017 37.449 8.711 1.00 41.98 A C\nATOM 186 O GLY A 724 24.322 37.039 9.836 1.00 47.37 A O\nATOM 187 N THR A 725 23.156 38.446 8.488 1.00 38.68 A N\nATOM 188 CA THR A 725 22.603 39.310 9.542 1.00 38.78 A C\nATOM 189 C THR A 725 21.065 39.285 9.625 1.00 38.49 A C\nATOM 190 O THR A 725 20.391 39.449 8.608 1.00 33.98 A O\nATOM 191 CB THR A 725 23.053 40.762 9.320 1.00 49.97 A C\nATOM 192 OG1 THR A 725 24.483 40.810 9.375 1.00 46.95 A O\nATOM 193 CG2 THR A 725 22.472 41.700 10.383 1.00 44.75 A C\nATOM 194 N VAL A 726 20.534 39.134 10.842 1.00 32.51 A N\nATOM 195 CA VAL A 726 19.070 38.979 11.051 1.00 35.80 A C\nATOM 196 C VAL A 726 18.414 40.191 11.729 1.00 34.03 A C\nATOM 197 O VAL A 726 18.988 40.751 12.672 1.00 34.12 A O\nATOM 198 CB VAL A 726 18.745 37.679 11.833 1.00 33.62 A C\nATOM 199 CG1 VAL A 726 17.231 37.439 11.869 1.00 35.20 A C\nATOM 200 CG2 VAL A 726 19.400 36.488 11.163 1.00 37.39 A C\nATOM 201 N TYR A 727 17.215 40.566 11.254 1.00 33.84 A N\nATOM 202 CA TYR A 727 16.439 41.698 11.760 1.00 32.33 A C\nATOM 203 C TYR A 727 15.042 41.252 12.170 1.00 37.12 A C\nATOM 204 O TYR A 727 14.463 40.338 11.555 1.00 34.66 A O\nATOM 205 CB TYR A 727 16.246 42.780 10.672 1.00 34.43 A C\nATOM 206 CG TYR A 727 17.514 43.312 10.073 1.00 40.06 A C\nATOM 207 CD1 TYR A 727 18.048 44.535 10.495 1.00 44.66 A C\nATOM 208 CD2 TYR A 727 18.204 42.586 9.100 1.00 48.07 A C\nATOM 209 CE1 TYR A 727 19.233 45.017 9.958 1.00 40.67 A C\nATOM 210 CE2 TYR A 727 19.393 43.057 8.559 1.00 45.69 A C\nATOM 211 CZ TYR A 727 19.897 44.277 8.987 1.00 50.79 A C\nATOM 212 OH TYR A 727 21.076 44.738 8.449 1.00 40.87 A O\nATOM 213 N LYS A 728 14.496 41.908 13.186 1.00 31.04 A N\nATOM 214 CA LYS A 728 13.046 41.836 13.452 1.00 34.53 A C\nATOM 215 C LYS A 728 12.362 42.756 12.451 1.00 38.87 A C\nATOM 216 O LYS A 728 12.862 43.841 12.167 1.00 39.43 A O\nATOM 217 CB LYS A 728 12.735 42.293 14.875 1.00 39.98 A C\nATOM 218 CG LYS A 728 11.263 42.187 15.275 1.00 50.05 A C\nATOM 219 CD LYS A 728 10.997 42.809 16.640 1.00 41.41 A C\nATOM 220 CE LYS A 728 10.879 44.322 16.557 1.00 49.69 A C\nATOM 221 NZ LYS A 728 10.778 44.921 17.913 1.00 50.16 A N\nATOM 222 N GLY A 729 11.222 42.334 11.912 1.00 38.44 A N\nATOM 223 CA GLY A 729 10.526 43.156 10.939 1.00 40.01 A C\nATOM 224 C GLY A 729 9.034 42.913 10.861 1.00 36.82 A C\nATOM 225 O GLY A 729 8.488 42.144 11.635 1.00 33.00 A O\nATOM 226 N LEU A 730 8.388 43.608 9.930 1.00 42.24 A N\nATOM 227 CA LEU A 730 6.978 43.392 9.627 1.00 41.16 A C\nATOM 228 C LEU A 730 6.790 43.121 8.139 1.00 37.54 A C\nATOM 229 O LEU A 730 7.381 43.794 7.295 1.00 43.28 A O\nATOM 230 CB LEU A 730 6.128 44.602 10.042 1.00 55.61 A C\nATOM 231 CG LEU A 730 5.797 44.815 11.522 1.00 54.61 A C\nATOM 232 CD1 LEU A 730 5.056 46.134 11.690 1.00 55.22 A C\nATOM 233 CD2 LEU A 730 4.985 43.665 12.105 1.00 62.65 A C\nATOM 234 N TRP A 731 5.976 42.119 7.831 1.00 42.21 A N\nATOM 235 CA TRP A 731 5.575 41.865 6.463 1.00 38.29 A C\nATOM 236 C TRP A 731 4.115 42.307 6.264 1.00 44.54 A C\nATOM 237 O TRP A 731 3.205 41.854 6.974 1.00 40.95 A O\nATOM 238 CB TRP A 731 5.791 40.400 6.085 1.00 44.76 A C\nATOM 239 CG TRP A 731 5.239 40.023 4.741 1.00 49.04 A C\nATOM 240 CD1 TRP A 731 5.266 40.773 3.595 1.00 56.68 A C\nATOM 241 CD2 TRP A 731 4.591 38.792 4.399 1.00 57.71 A C\nATOM 242 NE1 TRP A 731 4.663 40.089 2.569 1.00 61.09 A N\nATOM 243 CE2 TRP A 731 4.244 38.869 3.032 1.00 55.11 A C\nATOM 244 CE3 TRP A 731 4.266 37.631 5.118 1.00 50.16 A C\nATOM 245 CZ2 TRP A 731 3.587 37.833 2.369 1.00 65.58 A C\nATOM 246 CZ3 TRP A 731 3.615 36.603 4.461 1.00 59.33 A C\nATOM 247 CH2 TRP A 731 3.276 36.713 3.098 1.00 60.58 A C\nATOM 248 N ILE A 732 3.936 43.209 5.304 1.00 46.64 A N\nATOM 249 CA ILE A 732 2.625 43.709 4.887 1.00 54.61 A C\nATOM 250 C ILE A 732 2.347 43.178 3.476 1.00 52.31 A C\nATOM 251 O ILE A 732 2.779 43.779 2.492 1.00 58.58 A O\nATOM 252 CB ILE A 732 2.602 45.255 4.904 1.00 54.63 A C\nATOM 253 CG1 ILE A 732 3.132 45.776 6.246 1.00 54.82 A C\nATOM 254 CG2 ILE A 732 1.194 45.787 4.641 1.00 66.79 A C\nATOM 255 CD1 ILE A 732 3.898 47.083 6.154 1.00 59.18 A C\nATOM 256 N PRO A 733 1.668 42.016 3.370 1.00 54.05 A N\nATOM 257 CA PRO A 733 1.327 41.500 2.042 1.00 58.55 A C\nATOM 258 C PRO A 733 0.630 42.595 1.229 1.00 65.49 A C\nATOM 259 O PRO A 733 -0.188 43.342 1.778 1.00 49.96 A O\nATOM 260 CB PRO A 733 0.373 40.346 2.348 1.00 64.25 A C\nATOM 261 CG PRO A 733 0.768 39.882 3.707 1.00 61.88 A C\nATOM 262 CD PRO A 733 1.226 41.110 4.446 1.00 62.75 A C\nATOM 263 N GLU A 734 0.979 42.695 -0.052 1.00 70.24 A N\nATOM 264 CA GLU A 734 0.686 43.884 -0.872 1.00 94.73 A C\nATOM 265 C GLU A 734 -0.777 44.355 -0.899 1.00 97.63 A C\nATOM 266 O GLU A 734 -1.074 45.485 -0.500 1.00 94.38 A O\nATOM 267 CB GLU A 734 1.246 43.724 -2.298 1.00109.10 A C\nATOM 268 CG GLU A 734 1.023 42.356 -2.932 1.00121.90 A C\nATOM 269 CD GLU A 734 2.032 42.040 -4.022 1.00137.46 A C\nATOM 270 OE1 GLU A 734 2.181 42.851 -4.963 1.00133.69 A O\nATOM 271 OE2 GLU A 734 2.677 40.973 -3.941 1.00133.05 A O\nATOM 272 N GLY A 735 -1.679 43.493 -1.356 1.00 77.00 A N\nATOM 273 CA GLY A 735 -3.081 43.876 -1.524 1.00102.31 A C\nATOM 274 C GLY A 735 -3.886 43.756 -0.246 1.00 94.49 A C\nATOM 275 O GLY A 735 -4.924 44.398 -0.090 1.00 87.16 A O\nATOM 276 N GLU A 736 -3.388 42.942 0.677 1.00 84.67 A N\nATOM 277 CA GLU A 736 -4.127 42.579 1.880 1.00 78.16 A C\nATOM 278 C GLU A 736 -4.024 43.678 2.935 1.00 83.43 A C\nATOM 279 O GLU A 736 -3.373 44.703 2.709 1.00 81.42 A O\nATOM 280 CB GLU A 736 -3.615 41.237 2.397 1.00 81.23 A C\nATOM 281 CG GLU A 736 -3.274 40.281 1.260 1.00 77.57 A C\nATOM 282 CD GLU A 736 -2.886 38.898 1.726 1.00 87.99 A C\nATOM 283 OE1 GLU A 736 -1.955 38.315 1.129 1.00 79.62 A O\nATOM 284 OE2 GLU A 736 -3.512 38.390 2.680 1.00 96.84 A O\nATOM 285 N LYS A 737 -4.679 43.481 4.076 1.00 74.52 A N\nATOM 286 CA LYS A 737 -4.699 44.519 5.107 1.00 87.38 A C\nATOM 287 C LYS A 737 -4.260 44.016 6.485 1.00 96.71 A C\nATOM 288 O LYS A 737 -4.977 44.181 7.477 1.00109.85 A O\nATOM 289 CB LYS A 737 -6.077 45.199 5.170 1.00102.72 A C\nATOM 290 CG LYS A 737 -6.406 46.051 3.949 1.00109.69 A C\nATOM 291 CD LYS A 737 -7.648 46.936 4.172 1.00118.48 A C\nATOM 292 CE LYS A 737 -7.282 48.276 4.851 1.00123.12 A C\nATOM 293 NZ LYS A 737 -8.538 49.108 5.062 1.00124.87 A N\nATOM 294 N VAL A 738 -3.074 43.406 6.534 1.00 81.63 A N\nATOM 295 CA VAL A 738 -2.501 42.891 7.786 1.00 70.23 A C\nATOM 296 C VAL A 738 -0.992 43.163 7.922 1.00 67.18 A C\nATOM 297 O VAL A 738 -0.292 43.394 6.933 1.00 49.00 A O\nATOM 298 CB VAL A 738 -2.770 41.373 7.985 1.00 75.03 A C\nATOM 299 CG1 VAL A 738 -4.250 41.103 8.236 1.00 86.92 A C\nATOM 300 CG2 VAL A 738 -2.252 40.551 6.808 1.00 64.70 A C\nATOM 301 N LYS A 739 -0.516 43.146 9.165 1.00 59.40 A N\nATOM 302 CA LYS A 739 0.904 43.256 9.475 1.00 60.90 A C\nATOM 303 C LYS A 739 1.318 41.933 10.119 1.00 50.28 A C\nATOM 304 O LYS A 739 0.703 41.504 11.090 1.00 49.12 A O\nATOM 305 CB LYS A 739 1.147 44.419 10.443 1.00 54.97 A C\nATOM 306 CG LYS A 739 0.870 45.811 9.886 1.00 67.55 A C\nATOM 307 CD LYS A 739 0.807 46.815 11.029 1.00 68.22 A C\nATOM 308 CE LYS A 739 0.849 48.258 10.555 1.00 69.70 A C\nATOM 309 NZ LYS A 739 0.897 49.182 11.726 1.00 63.68 A N\nATOM 310 N ILE A 740 2.334 41.275 9.569 1.00 53.92 A N\nATOM 311 CA ILE A 740 2.775 39.976 10.098 1.00 43.42 A C\nATOM 312 C ILE A 740 4.222 40.069 10.602 1.00 38.89 A C\nATOM 313 O ILE A 740 5.111 40.395 9.830 1.00 37.20 A O\nATOM 314 CB ILE A 740 2.637 38.847 9.043 1.00 47.72 A C\nATOM 315 CG1 ILE A 740 1.192 38.754 8.531 1.00 44.69 A C\nATOM 316 CG2 ILE A 740 3.097 37.499 9.607 1.00 42.82 A C\nATOM 317 CD1 ILE A 740 1.076 38.138 7.152 1.00 46.45 A C\nATOM 318 N PRO A 741 4.452 39.781 11.897 1.00 40.77 A N\nATOM 319 CA PRO A 741 5.827 39.786 12.440 1.00 39.30 A C\nATOM 320 C PRO A 741 6.717 38.738 11.759 1.00 38.75 A C\nATOM 321 O PRO A 741 6.362 37.551 11.684 1.00 38.50 A O\nATOM 322 CB PRO A 741 5.632 39.455 13.923 1.00 38.97 A C\nATOM 323 CG PRO A 741 4.153 39.637 14.186 1.00 41.99 A C\nATOM 324 CD PRO A 741 3.478 39.309 12.893 1.00 42.15 A C\nATOM 325 N VAL A 742 7.853 39.202 11.251 1.00 38.86 A N\nATOM 326 CA VAL A 742 8.786 38.356 10.514 1.00 38.13 A C\nATOM 327 C VAL A 742 10.231 38.581 11.005 1.00 34.95 A C\nATOM 328 O VAL A 742 10.561 39.632 11.583 1.00 34.01 A O\nATOM 329 CB VAL A 742 8.687 38.599 8.982 1.00 37.29 A C\nATOM 330 CG1 VAL A 742 7.346 38.112 8.437 1.00 40.56 A C\nATOM 331 CG2 VAL A 742 8.931 40.075 8.615 1.00 37.85 A C\nATOM 332 N ALA A 743 11.064 37.564 10.815 1.00 30.95 A N\nATOM 333 CA ALA A 743 12.504 37.735 10.909 1.00 31.06 A C\nATOM 334 C ALA A 743 12.971 37.867 9.468 1.00 29.26 A C\nATOM 335 O ALA A 743 12.443 37.205 8.545 1.00 29.67 A O\nATOM 336 CB ALA A 743 13.145 36.521 11.607 1.00 27.75 A C\nATOM 337 N ILE A 744 13.960 38.729 9.257 1.00 29.82 A N\nATOM 338 CA ILE A 744 14.482 38.989 7.941 1.00 26.91 A C\nATOM 339 C ILE A 744 15.996 38.776 7.997 1.00 32.94 A C\nATOM 340 O ILE A 744 16.659 39.439 8.787 1.00 31.67 A O\nATOM 341 CB ILE A 744 14.187 40.451 7.521 1.00 32.45 A C\nATOM 342 CG1 ILE A 744 12.668 40.686 7.463 1.00 33.88 A C\nATOM 343 CG2 ILE A 744 14.811 40.752 6.170 1.00 33.17 A C\nATOM 344 CD1 ILE A 744 12.266 42.143 7.435 1.00 43.30 A C\nATOM 345 N LYS A 745 16.513 37.833 7.209 1.00 31.04 A N\nATOM 346 CA LYS A 745 17.973 37.573 7.139 1.00 31.99 A C\nATOM 347 C LYS A 745 18.524 38.109 5.822 1.00 39.09 A C\nATOM 348 O LYS A 745 18.134 37.638 4.751 1.00 38.70 A O\nATOM 349 CB LYS A 745 18.294 36.063 7.319 1.00 28.72 A C\nATOM 350 CG LYS A 745 19.802 35.726 7.423 1.00 31.87 A C\nATOM 351 CD LYS A 745 20.007 34.389 8.138 1.00 31.76 A C\nATOM 352 CE LYS A 745 21.491 34.095 8.338 1.00 35.24 A C\nATOM 353 NZ LYS A 745 21.698 32.907 9.205 1.00 39.22 A N\nATOM 354 N GLU A 746 19.416 39.106 5.904 1.00 34.93 A N\nATOM 355 CA GLU A 746 20.142 39.638 4.746 1.00 33.61 A C\nATOM 356 C GLU A 746 21.526 38.979 4.663 1.00 41.73 A C\nATOM 357 O GLU A 746 22.298 39.054 5.609 1.00 40.63 A O\nATOM 358 CB GLU A 746 20.301 41.152 4.901 1.00 38.35 A C\nATOM 359 CG GLU A 746 20.665 41.861 3.615 1.00 43.31 A C\nATOM 360 CD GLU A 746 20.339 43.344 3.649 1.00 56.57 A C\nATOM 361 OE1 GLU A 746 20.746 44.024 4.616 1.00 60.73 A O\nATOM 362 OE2 GLU A 746 19.673 43.828 2.704 1.00 56.47 A O\nATOM 363 N LEU A 747 21.833 38.337 3.537 1.00 44.06 A N\nATOM 364 CA LEU A 747 23.024 37.488 3.450 1.00 49.19 A C\nATOM 365 C LEU A 747 24.281 38.279 3.131 1.00 60.11 A C\nATOM 366 O LEU A 747 24.202 39.411 2.649 1.00 50.14 A O\nATOM 367 CB LEU A 747 22.837 36.348 2.436 1.00 42.55 A C\nATOM 368 CG LEU A 747 21.603 35.433 2.522 1.00 47.94 A C\nATOM 369 CD1 LEU A 747 21.721 34.261 1.547 1.00 56.88 A C\nATOM 370 CD2 LEU A 747 21.335 34.931 3.938 1.00 48.40 A C\nATOM 371 N ARG A 748 25.429 37.670 3.439 1.00 66.18 A N\nATOM 372 CA ARG A 748 26.741 38.168 3.020 1.00 88.68 A C\nATOM 373 C ARG A 748 26.890 37.940 1.518 1.00 83.15 A C\nATOM 374 O ARG A 748 26.540 36.871 1.007 1.00 58.47 A O\nATOM 375 CB ARG A 748 27.867 37.432 3.760 1.00 95.20 A C\nATOM 376 CG ARG A 748 27.684 37.308 5.267 1.00111.81 A C\nATOM 377 CD ARG A 748 28.485 38.345 6.036 1.00116.77 A C\nATOM 378 NE ARG A 748 28.166 38.317 7.463 1.00121.49 A N\nATOM 379 CZ ARG A 748 28.992 38.701 8.434 1.00124.58 A C\nATOM 380 NH1 ARG A 748 28.598 38.637 9.698 1.00118.79 A N\nATOM 381 NH2 ARG A 748 30.213 39.139 8.150 1.00121.87 A N\nATOM 382 N GLU A 749 27.406 38.949 0.821 1.00 98.46 A N\nATOM 383 CA GLU A 749 27.601 38.891 -0.630 1.00109.01 A C\nATOM 384 C GLU A 749 28.856 38.102 -1.017 1.00119.10 A C\nATOM 385 O GLU A 749 29.662 37.740 -0.156 1.00127.74 A O\nATOM 386 CB GLU A 749 27.675 40.307 -1.207 1.00107.94 A C\nATOM 387 CG GLU A 749 26.412 41.134 -1.012 1.00122.50 A C\nATOM 388 CD GLU A 749 26.530 42.544 -1.567 1.00131.75 A C\nATOM 389 OE1 GLU A 749 27.541 42.855 -2.234 1.00129.10 A O\nATOM 390 OE2 GLU A 749 25.601 43.347 -1.337 1.00141.68 A O\nATOM 391 N ALA A 750 29.008 37.836 -2.315 1.00115.00 A N\nATOM 392 CA ALA A 750 30.204 37.181 -2.856 1.00118.99 A C\nATOM 393 C ALA A 750 30.743 37.944 -4.068 1.00126.64 A C\nATOM 394 O ALA A 750 30.009 38.716 -4.692 1.00142.14 A O\nATOM 395 CB ALA A 750 29.900 35.736 -3.224 1.00111.74 A C\nATOM 396 N THR A 751 32.022 37.735 -4.391 1.00123.82 A N\nATOM 397 CA THR A 751 32.648 38.356 -5.569 1.00124.40 A C\nATOM 398 C THR A 751 32.044 37.774 -6.848 1.00124.78 A C\nATOM 399 O THR A 751 31.735 38.509 -7.791 1.00116.74 A O\nATOM 400 CB THR A 751 34.185 38.166 -5.588 1.00118.19 A C\nATOM 401 OG1 THR A 751 34.721 38.383 -4.277 1.00103.31 A O\nATOM 402 CG2 THR A 751 34.848 39.136 -6.573 1.00100.42 A C\nATOM 403 N SER A 752 31.885 36.451 -6.862 1.00121.20 A N\nATOM 404 CA SER A 752 31.194 35.752 -7.939 1.00135.31 A C\nATOM 405 C SER A 752 29.938 35.072 -7.380 1.00129.14 A C\nATOM 406 O SER A 752 29.976 33.894 -7.008 1.00125.03 A O\nATOM 407 CB SER A 752 32.123 34.735 -8.613 1.00131.46 A C\nATOM 408 OG SER A 752 31.457 34.039 -9.655 1.00119.19 A O\nATOM 409 N PRO A 753 28.819 35.821 -7.308 1.00118.58 A N\nATOM 410 CA PRO A 753 27.589 35.277 -6.740 1.00106.64 A C\nATOM 411 C PRO A 753 26.877 34.351 -7.720 1.00 97.42 A C\nATOM 412 O PRO A 753 27.150 34.390 -8.922 1.00 88.50 A O\nATOM 413 CB PRO A 753 26.730 36.526 -6.474 1.00107.50 A C\nATOM 414 CG PRO A 753 27.528 37.708 -6.938 1.00107.49 A C\nATOM 415 CD PRO A 753 28.618 37.187 -7.821 1.00102.77 A C\nATOM 416 N LYS A 754 25.976 33.523 -7.199 1.00 91.73 A N\nATOM 417 CA LYS A 754 25.143 32.653 -8.028 1.00 78.40 A C\nATOM 418 C LYS A 754 24.059 33.471 -8.747 1.00 72.59 A C\nATOM 419 O LYS A 754 23.679 34.553 -8.283 1.00 71.52 A O\nATOM 420 CB LYS A 754 24.516 31.548 -7.171 1.00 66.50 A C\nATOM 421 CG LYS A 754 25.522 30.572 -6.582 1.00 66.51 A C\nATOM 422 CD LYS A 754 24.844 29.511 -5.730 1.00 67.17 A C\nATOM 423 CE LYS A 754 25.850 28.490 -5.217 1.00 71.27 A C\nATOM 424 NZ LYS A 754 25.199 27.456 -4.367 1.00 72.05 A N\nATOM 425 N ALA A 755 23.582 32.965 -9.885 1.00 67.58 A N\nATOM 426 CA ALA A 755 22.470 33.596 -10.607 1.00 64.10 A C\nATOM 427 C ALA A 755 21.197 33.558 -9.757 1.00 59.06 A C\nATOM 428 O ALA A 755 21.026 32.662 -8.924 1.00 48.83 A O\nATOM 429 CB ALA A 755 22.241 32.908 -11.946 1.00 62.79 A C\nATOM 430 N ASN A 756 20.311 34.532 -9.961 1.00 55.32 A N\nATOM 431 CA ASN A 756 19.058 34.580 -9.210 1.00 57.65 A C\nATOM 432 C ASN A 756 18.246 33.282 -9.306 1.00 49.83 A C\nATOM 433 O ASN A 756 17.713 32.811 -8.305 1.00 52.47 A O\nATOM 434 CB ASN A 756 18.214 35.782 -9.636 1.00 61.10 A C\nATOM 435 CG ASN A 756 18.737 37.095 -9.070 1.00 65.60 A C\nATOM 436 OD1 ASN A 756 18.241 38.166 -9.417 1.00 66.39 A O\nATOM 437 ND2 ASN A 756 19.733 37.018 -8.188 1.00 62.03 A N\nATOM 438 N LYS A 757 18.188 32.693 -10.499 1.00 48.32 A N\nATOM 439 CA LYS A 757 17.363 31.496 -10.707 1.00 53.97 A C\nATOM 440 C LYS A 757 17.885 30.303 -9.916 1.00 52.23 A C\nATOM 441 O LYS A 757 17.101 29.474 -9.457 1.00 38.94 A O\nATOM 442 CB LYS A 757 17.178 31.163 -12.198 1.00 57.10 A C\nATOM 443 CG LYS A 757 18.445 30.784 -12.949 1.00 62.89 A C\nATOM 444 CD LYS A 757 18.134 30.400 -14.385 1.00 67.24 A C\nATOM 445 CE LYS A 757 19.369 29.866 -15.088 1.00 78.98 A C\nATOM 446 NZ LYS A 757 19.072 29.478 -16.495 1.00 98.58 A N\nATOM 447 N GLU A 758 19.205 30.237 -9.731 1.00 41.71 A N\nATOM 448 CA GLU A 758 19.816 29.184 -8.921 1.00 45.36 A C\nATOM 449 C GLU A 758 19.512 29.391 -7.426 1.00 45.14 A C\nATOM 450 O GLU A 758 19.180 28.437 -6.706 1.00 43.16 A O\nATOM 451 CB GLU A 758 21.327 29.142 -9.166 1.00 56.18 A C\nATOM 452 CG GLU A 758 22.010 27.873 -8.669 1.00 74.96 A C\nATOM 453 CD GLU A 758 23.509 27.857 -8.933 1.00 89.13 A C\nATOM 454 OE1 GLU A 758 24.235 27.159 -8.193 1.00109.33 A O\nATOM 455 OE2 GLU A 758 23.968 28.536 -9.878 1.00 81.56 A O\nATOM 456 N ILE A 759 19.643 30.638 -6.971 1.00 38.74 A N\nATOM 457 CA ILE A 759 19.234 31.052 -5.622 1.00 40.45 A C\nATOM 458 C ILE A 759 17.742 30.767 -5.383 1.00 37.42 A C\nATOM 459 O ILE A 759 17.347 30.206 -4.353 1.00 36.66 A O\nATOM 460 CB ILE A 759 19.533 32.554 -5.393 1.00 43.35 A C\nATOM 461 CG1 ILE A 759 21.053 32.762 -5.243 1.00 47.56 A C\nATOM 462 CG2 ILE A 759 18.767 33.078 -4.186 1.00 43.77 A C\nATOM 463 CD1 ILE A 759 21.516 34.207 -5.124 1.00 44.09 A C\nATOM 464 N LEU A 760 16.923 31.151 -6.340 1.00 32.59 A N\nATOM 465 CA LEU A 760 15.477 30.871 -6.229 1.00 44.54 A C\nATOM 466 C LEU A 760 15.206 29.372 -6.123 1.00 43.78 A C\nATOM 467 O LEU A 760 14.351 28.949 -5.341 1.00 38.07 A O\nATOM 468 CB LEU A 760 14.701 31.506 -7.382 1.00 37.58 A C\nATOM 469 CG LEU A 760 14.663 33.030 -7.272 1.00 40.85 A C\nATOM 470 CD1 LEU A 760 14.118 33.694 -8.532 1.00 47.14 A C\nATOM 471 CD2 LEU A 760 13.882 33.459 -6.040 1.00 39.46 A C\nATOM 472 N ASP A 761 15.966 28.576 -6.874 1.00 37.26 A N\nATOM 473 CA ASP A 761 15.788 27.126 -6.889 1.00 39.19 A C\nATOM 474 C ASP A 761 16.110 26.500 -5.525 1.00 46.00 A C\nATOM 475 O ASP A 761 15.381 25.626 -5.051 1.00 41.12 A O\nATOM 476 CB ASP A 761 16.625 26.501 -8.020 1.00 44.22 A C\nATOM 477 CG ASP A 761 16.461 24.979 -8.126 1.00 58.33 A C\nATOM 478 OD1 ASP A 761 17.492 24.284 -8.152 1.00 49.31 A O\nATOM 479 OD2 ASP A 761 15.316 24.470 -8.200 1.00 47.84 A O\nATOM 480 N GLU A 762 17.191 26.954 -4.888 1.00 36.07 A N\nATOM 481 CA GLU A 762 17.560 26.438 -3.576 1.00 34.81 A C\nATOM 482 C GLU A 762 16.600 26.948 -2.508 1.00 32.41 A C\nATOM 483 O GLU A 762 16.215 26.209 -1.596 1.00 36.70 A O\nATOM 484 CB GLU A 762 19.029 26.775 -3.256 1.00 39.98 A C\nATOM 485 CG GLU A 762 19.960 26.152 -4.283 1.00 46.30 A C\nATOM 486 CD GLU A 762 21.394 25.995 -3.807 1.00 67.31 A C\nATOM 487 OE1 GLU A 762 22.255 25.711 -4.666 1.00 61.02 A O\nATOM 488 OE2 GLU A 762 21.667 26.144 -2.592 1.00 60.07 A O\nATOM 489 N ALA A 763 16.161 28.196 -2.654 1.00 31.03 A N\nATOM 490 CA ALA A 763 15.258 28.767 -1.667 1.00 30.15 A C\nATOM 491 C ALA A 763 13.909 28.042 -1.718 1.00 31.96 A C\nATOM 492 O ALA A 763 13.237 27.930 -0.700 1.00 32.14 A O\nATOM 493 CB ALA A 763 15.065 30.253 -1.887 1.00 31.59 A C\nATOM 494 N TYR A 764 13.541 27.551 -2.895 1.00 28.99 A N\nATOM 495 CA TYR A 764 12.229 26.863 -3.044 1.00 29.83 A C\nATOM 496 C TYR A 764 12.189 25.668 -2.112 1.00 28.72 A C\nATOM 497 O TYR A 764 11.184 25.426 -1.469 1.00 29.34 A O\nATOM 498 CB TYR A 764 11.968 26.408 -4.481 1.00 30.91 A C\nATOM 499 CG TYR A 764 10.617 25.705 -4.651 1.00 30.27 A C\nATOM 500 CD1 TYR A 764 10.525 24.314 -4.685 1.00 29.95 A C\nATOM 501 CD2 TYR A 764 9.448 26.447 -4.774 1.00 31.11 A C\nATOM 502 CE1 TYR A 764 9.299 23.683 -4.830 1.00 36.51 A C\nATOM 503 CE2 TYR A 764 8.212 25.822 -4.915 1.00 34.02 A C\nATOM 504 CZ TYR A 764 8.153 24.440 -4.943 1.00 31.33 A C\nATOM 505 OH TYR A 764 6.926 23.819 -5.090 1.00 36.39 A O\nATOM 506 N VAL A 765 13.308 24.953 -1.983 1.00 30.36 A N\nATOM 507 CA VAL A 765 13.338 23.790 -1.106 1.00 30.00 A C\nATOM 508 C VAL A 765 13.144 24.241 0.339 1.00 28.48 A C\nATOM 509 O VAL A 765 12.510 23.540 1.135 1.00 28.46 A O\nATOM 510 CB VAL A 765 14.661 22.982 -1.249 1.00 34.35 A C\nATOM 511 CG1 VAL A 765 14.648 21.743 -0.361 1.00 37.76 A C\nATOM 512 CG2 VAL A 765 14.898 22.599 -2.708 1.00 39.05 A C\nATOM 513 N MET A 766 13.685 25.407 0.687 1.00 26.60 A N\nATOM 514 CA MET A 766 13.558 25.938 2.055 1.00 27.20 A C\nATOM 515 C MET A 766 12.106 26.365 2.345 1.00 32.09 A C\nATOM 516 O MET A 766 11.637 26.292 3.487 1.00 34.54 A O\nATOM 517 CB MET A 766 14.561 27.094 2.308 1.00 31.52 A C\nATOM 518 CG MET A 766 16.040 26.737 2.138 1.00 36.39 A C\nATOM 519 SD MET A 766 16.954 28.289 1.995 1.00 35.31 A S\nATOM 520 CE MET A 766 18.693 27.772 1.971 1.00 29.41 A C\nATOM 521 N ALA A 767 11.388 26.768 1.304 1.00 25.55 A N\nATOM 522 CA ALA A 767 9.955 27.147 1.461 1.00 28.35 A C\nATOM 523 C ALA A 767 8.996 25.957 1.419 1.00 30.50 A C\nATOM 524 O ALA A 767 7.810 26.051 1.829 1.00 35.24 A O\nATOM 525 CB ALA A 767 9.587 28.141 0.385 1.00 27.82 A C\nATOM 526 N SER A 768 9.486 24.841 0.921 1.00 33.39 A N\nATOM 527 CA SER A 768 8.674 23.650 0.666 1.00 36.62 A C\nATOM 528 C SER A 768 8.537 22.757 1.916 1.00 35.31 A C\nATOM 529 O SER A 768 7.706 21.837 1.944 1.00 41.31 A O\nATOM 530 CB SER A 768 9.315 22.842 -0.478 1.00 30.34 A C\nATOM 531 OG SER A 768 10.337 22.007 0.056 1.00 43.37 A O\nATOM 532 N VAL A 769 9.337 23.017 2.949 1.00 29.89 A N\nATOM 533 CA VAL A 769 9.346 22.117 4.112 1.00 31.80 A C\nATOM 534 C VAL A 769 8.076 22.226 4.967 1.00 35.73 A C\nATOM 535 O VAL A 769 7.587 23.322 5.240 1.00 40.87 A O\nATOM 536 CB VAL A 769 10.608 22.267 4.970 1.00 36.09 A C\nATOM 537 CG1 VAL A 769 11.840 21.931 4.144 1.00 34.12 A C\nATOM 538 CG2 VAL A 769 10.721 23.677 5.517 1.00 42.89 A C\nATOM 539 N ASP A 770 7.546 21.080 5.369 1.00 31.99 A N\nATOM 540 CA ASP A 770 6.279 21.036 6.088 1.00 39.53 A C\nATOM 541 C ASP A 770 6.391 20.001 7.188 1.00 32.29 A C\nATOM 542 O ASP A 770 6.093 18.820 6.974 1.00 33.73 A O\nATOM 543 CB ASP A 770 5.126 20.706 5.120 1.00 36.58 A C\nATOM 544 CG ASP A 770 3.755 20.745 5.793 1.00 41.55 A C\nATOM 545 OD1 ASP A 770 3.591 21.464 6.803 1.00 41.43 A O\nATOM 546 OD2 ASP A 770 2.839 20.055 5.297 1.00 61.49 A O\nATOM 547 N ASN A 771 6.841 20.458 8.358 1.00 27.92 A N\nATOM 548 CA ASN A 771 7.056 19.600 9.515 1.00 28.79 A C\nATOM 549 C ASN A 771 7.004 20.473 10.767 1.00 28.51 A C\nATOM 550 O ASN A 771 7.492 21.615 10.753 1.00 32.33 A O\nATOM 551 CB ASN A 771 8.427 18.877 9.404 1.00 31.63 A C\nATOM 552 CG ASN A 771 8.711 17.968 10.593 1.00 32.66 A C\nATOM 553 OD1 ASN A 771 9.198 18.412 11.634 1.00 32.35 A O\nATOM 554 ND2 ASN A 771 8.412 16.685 10.439 1.00 31.99 A N\nATOM 555 N PRO A 772 6.419 19.947 11.868 1.00 36.96 A N\nATOM 556 CA PRO A 772 6.237 20.746 13.090 1.00 37.28 A C\nATOM 557 C PRO A 772 7.540 21.226 13.729 1.00 33.19 A C\nATOM 558 O PRO A 772 7.524 22.216 14.470 1.00 30.61 A O\nATOM 559 CB PRO A 772 5.540 19.773 14.045 1.00 44.95 A C\nATOM 560 CG PRO A 772 4.862 18.792 13.164 1.00 49.09 A C\nATOM 561 CD PRO A 772 5.749 18.635 11.972 1.00 36.80 A C\nATOM 562 N HIS A 773 8.647 20.524 13.463 1.00 32.01 A N\nATOM 563 CA HIS A 773 9.923 20.890 14.095 1.00 32.30 A C\nATOM 564 C HIS A 773 10.938 21.522 13.140 1.00 29.91 A C\nATOM 565 O HIS A 773 12.141 21.581 13.433 1.00 31.48 A O\nATOM 566 CB HIS A 773 10.501 19.683 14.866 1.00 30.06 A C\nATOM 567 CG HIS A 773 9.481 19.002 15.740 1.00 38.50 A C\nATOM 568 ND1 HIS A 773 8.923 19.607 16.850 1.00 35.97 A N\nATOM 569 CD2 HIS A 773 8.862 17.803 15.617 1.00 43.44 A C\nATOM 570 CE1 HIS A 773 8.045 18.787 17.401 1.00 35.79 A C\nATOM 571 NE2 HIS A 773 7.979 17.690 16.666 1.00 33.01 A N\nATOM 572 N VAL A 774 10.444 22.029 12.011 1.00 32.42 A N\nATOM 573 CA VAL A 774 11.292 22.713 11.029 1.00 31.78 A C\nATOM 574 C VAL A 774 10.590 24.023 10.638 1.00 31.70 A C\nATOM 575 O VAL A 774 9.410 24.021 10.272 1.00 33.83 A O\nATOM 576 CB VAL A 774 11.562 21.858 9.757 1.00 37.83 A C\nATOM 577 CG1 VAL A 774 12.584 22.547 8.868 1.00 28.77 A C\nATOM 578 CG2 VAL A 774 12.050 20.442 10.095 1.00 34.53 A C\nATOM 579 N CYS A 775 11.299 25.132 10.784 1.00 31.06 A N\nATOM 580 CA CYS A 775 10.867 26.411 10.246 1.00 32.97 A C\nATOM 581 C CYS A 775 10.813 26.400 8.725 1.00 31.14 A C\nATOM 582 O CYS A 775 11.570 25.660 8.057 1.00 35.80 A O\nATOM 583 CB CYS A 775 11.836 27.504 10.707 1.00 29.32 A C\nATOM 584 SG CYS A 775 11.781 27.780 12.482 1.00 36.31 A S\nATOM 585 N ARG A 776 9.959 27.240 8.152 1.00 27.88 A N\nATOM 586 CA ARG A 776 9.926 27.322 6.704 1.00 26.20 A C\nATOM 587 C ARG A 776 10.059 28.744 6.212 1.00 25.09 A C\nATOM 588 O ARG A 776 9.700 29.688 6.895 1.00 28.55 A O\nATOM 589 CB ARG A 776 8.682 26.632 6.126 1.00 36.86 A C\nATOM 590 CG ARG A 776 7.473 27.513 6.073 1.00 39.62 A C\nATOM 591 CD ARG A 776 6.435 26.936 5.109 1.00 54.28 A C\nATOM 592 NE ARG A 776 5.496 27.982 4.720 1.00 51.59 A N\nATOM 593 CZ ARG A 776 5.521 28.662 3.573 1.00 56.49 A C\nATOM 594 NH1 ARG A 776 6.423 28.405 2.636 1.00 45.85 A N\nATOM 595 NH2 ARG A 776 4.607 29.596 3.351 1.00 62.64 A N\nATOM 596 N LEU A 777 10.660 28.874 5.042 1.00 32.82 A N\nATOM 597 CA LEU A 777 10.839 30.155 4.397 1.00 39.54 A C\nATOM 598 C LEU A 777 9.481 30.608 3.865 1.00 41.12 A C\nATOM 599 O LEU A 777 8.752 29.829 3.249 1.00 36.46 A O\nATOM 600 CB LEU A 777 11.873 30.008 3.284 1.00 37.75 A C\nATOM 601 CG LEU A 777 12.599 31.245 2.783 1.00 41.91 A C\nATOM 602 CD1 LEU A 777 13.269 31.938 3.962 1.00 35.23 A C\nATOM 603 CD2 LEU A 777 13.619 30.839 1.737 1.00 39.23 A C\nATOM 604 N LEU A 778 9.106 31.841 4.179 1.00 35.56 A N\nATOM 605 CA LEU A 778 7.850 32.407 3.671 1.00 37.08 A C\nATOM 606 C LEU A 778 8.067 33.176 2.372 1.00 39.75 A C\nATOM 607 O LEU A 778 7.184 33.229 1.510 1.00 45.05 A O\nATOM 608 CB LEU A 778 7.251 33.354 4.706 1.00 33.02 A C\nATOM 609 CG LEU A 778 6.736 32.791 6.028 1.00 43.06 A C\nATOM 610 CD1 LEU A 778 6.379 33.930 6.967 1.00 41.81 A C\nATOM 611 CD2 LEU A 778 5.533 31.872 5.829 1.00 55.69 A C\nATOM 612 N GLY A 779 9.235 33.799 2.246 1.00 38.68 A N\nATOM 613 CA GLY A 779 9.483 34.706 1.147 1.00 38.09 A C\nATOM 614 C GLY A 779 10.944 35.031 0.929 1.00 34.62 A C\nATOM 615 O GLY A 779 11.816 34.682 1.729 1.00 34.55 A O\nATOM 616 N ILE A 780 11.206 35.696 -0.181 1.00 36.47 A N\nATOM 617 CA ILE A 780 12.549 36.078 -0.537 1.00 32.86 A C\nATOM 618 C ILE A 780 12.467 37.364 -1.342 1.00 37.56 A C\nATOM 619 O ILE A 780 11.461 37.641 -2.019 1.00 35.89 A O\nATOM 620 CB ILE A 780 13.271 34.933 -1.305 1.00 36.74 A C\nATOM 621 CG1 ILE A 780 14.757 35.226 -1.508 1.00 37.01 A C\nATOM 622 CG2 ILE A 780 12.566 34.586 -2.612 1.00 39.84 A C\nATOM 623 CD1 ILE A 780 15.542 34.015 -1.981 1.00 41.12 A C\nATOM 624 N CYS A 781 13.504 38.179 -1.218 1.00 34.22 A N\nATOM 625 CA CYS A 781 13.584 39.409 -1.968 1.00 39.58 A C\nATOM 626 C CYS A 781 15.008 39.513 -2.476 1.00 42.52 A C\nATOM 627 O CYS A 781 15.968 39.597 -1.696 1.00 42.31 A O\nATOM 628 CB CYS A 781 13.209 40.593 -1.091 1.00 42.05 A C\nATOM 629 SG CYS A 781 13.340 42.208 -1.900 1.00 52.46 A S\nATOM 630 N LEU A 782 15.137 39.460 -3.794 1.00 40.33 A N\nATOM 631 CA LEU A 782 16.427 39.615 -4.427 1.00 52.46 A C\nATOM 632 C LEU A 782 16.577 41.062 -4.912 1.00 57.91 A C\nATOM 633 O LEU A 782 15.686 41.607 -5.575 1.00 53.42 A O\nATOM 634 CB LEU A 782 16.593 38.602 -5.561 1.00 46.81 A C\nATOM 635 CG LEU A 782 16.440 37.118 -5.193 1.00 50.02 A C\nATOM 636 CD1 LEU A 782 16.409 36.255 -6.440 1.00 58.30 A C\nATOM 637 CD2 LEU A 782 17.535 36.643 -4.245 1.00 47.01 A C\nATOM 638 N THR A 783 17.681 41.688 -4.513 1.00 57.02 A N\nATOM 639 CA THR A 783 18.058 43.033 -4.953 1.00 57.87 A C\nATOM 640 C THR A 783 19.559 42.976 -5.243 1.00 56.07 A C\nATOM 641 O THR A 783 20.020 42.064 -5.932 1.00 68.18 A O\nATOM 642 CB THR A 783 17.787 44.109 -3.877 1.00 57.17 A C\nATOM 643 OG1 THR A 783 18.534 43.803 -2.690 1.00 63.32 A O\nATOM 644 CG2 THR A 783 16.297 44.223 -3.544 1.00 60.21 A C\nATOM 645 N SER A 784 20.317 43.931 -4.705 1.00 61.57 A N\nATOM 646 CA SER A 784 21.778 43.830 -4.658 1.00 62.64 A C\nATOM 647 C SER A 784 22.205 42.824 -3.584 1.00 66.71 A C\nATOM 648 O SER A 784 23.330 42.310 -3.611 1.00 73.57 A O\nATOM 649 CB SER A 784 22.413 45.198 -4.391 1.00 65.94 A C\nATOM 650 OG SER A 784 21.881 45.793 -3.219 1.00 77.36 A O\nATOM 651 N THR A 785 21.296 42.553 -2.644 1.00 56.80 A N\nATOM 652 CA THR A 785 21.494 41.540 -1.602 1.00 50.80 A C\nATOM 653 C THR A 785 20.393 40.478 -1.669 1.00 48.30 A C\nATOM 654 O THR A 785 19.331 40.704 -2.264 1.00 47.91 A O\nATOM 655 CB THR A 785 21.428 42.150 -0.184 1.00 51.80 A C\nATOM 656 OG1 THR A 785 20.089 42.598 0.080 1.00 49.48 A O\nATOM 657 CG2 THR A 785 22.410 43.311 -0.027 1.00 59.94 A C\nATOM 658 N VAL A 786 20.645 39.332 -1.039 1.00 46.00 A N\nATOM 659 CA VAL A 786 19.597 38.329 -0.826 1.00 38.67 A C\nATOM 660 C VAL A 786 18.979 38.517 0.553 1.00 36.32 A C\nATOM 661 O VAL A 786 19.693 38.530 1.546 1.00 39.63 A O\nATOM 662 CB VAL A 786 20.142 36.898 -0.953 1.00 38.01 A C\nATOM 663 CG1 VAL A 786 19.031 35.871 -0.729 1.00 48.90 A C\nATOM 664 CG2 VAL A 786 20.782 36.700 -2.320 1.00 48.03 A C\nATOM 665 N GLN A 787 17.653 38.626 0.610 1.00 36.69 A N\nATOM 666 CA GLN A 787 16.944 38.695 1.883 1.00 35.65 A C\nATOM 667 C GLN A 787 15.909 37.581 2.032 1.00 39.78 A C\nATOM 668 O GLN A 787 15.052 37.404 1.156 1.00 35.85 A O\nATOM 669 CB GLN A 787 16.259 40.049 2.058 1.00 38.83 A C\nATOM 670 CG GLN A 787 17.235 41.187 2.339 1.00 38.72 A C\nATOM 671 CD GLN A 787 16.536 42.518 2.516 1.00 42.16 A C\nATOM 672 OE1 GLN A 787 16.253 42.927 3.638 1.00 41.78 A O\nATOM 673 NE2 GLN A 787 16.248 43.197 1.412 1.00 43.91 A N\nATOM 674 N LEU A 788 15.995 36.856 3.148 1.00 33.94 A N\nATOM 675 CA LEU A 788 15.086 35.737 3.441 1.00 35.29 A C\nATOM 676 C LEU A 788 14.084 36.113 4.506 1.00 30.71 A C\nATOM 677 O LEU A 788 14.427 36.716 5.524 1.00 32.86 A O\nATOM 678 CB LEU A 788 15.887 34.523 3.909 1.00 32.95 A C\nATOM 679 CG LEU A 788 17.028 34.042 3.026 1.00 35.16 A C\nATOM 680 CD1 LEU A 788 17.745 32.897 3.724 1.00 34.86 A C\nATOM 681 CD2 LEU A 788 16.502 33.617 1.664 1.00 37.74 A C\nATOM 682 N ILE A 789 12.820 35.776 4.290 1.00 30.64 A N\nATOM 683 CA ILE A 789 11.799 36.205 5.231 1.00 28.88 A C\nATOM 684 C ILE A 789 11.097 34.984 5.799 1.00 25.85 A C\nATOM 685 O ILE A 789 10.735 34.081 5.056 1.00 33.02 A O\nATOM 686 CB ILE A 789 10.799 37.178 4.563 1.00 34.04 A C\nATOM 687 CG1 ILE A 789 11.507 38.480 4.147 1.00 37.69 A C\nATOM 688 CG2 ILE A 789 9.617 37.488 5.479 1.00 35.36 A C\nATOM 689 CD1 ILE A 789 12.058 38.438 2.739 1.00 38.70 A C\nATOM 690 N THR A 790 10.936 34.964 7.116 1.00 25.06 A N\nATOM 691 CA THR A 790 10.342 33.827 7.816 1.00 27.17 A C\nATOM 692 C THR A 790 9.494 34.315 8.999 1.00 29.00 A C\nATOM 693 O THR A 790 9.635 35.461 9.477 1.00 29.51 A O\nATOM 694 CB THR A 790 11.412 32.818 8.305 1.00 30.02 A C\nATOM 695 OG1 THR A 790 10.789 31.611 8.765 1.00 34.01 A O\nATOM 696 CG2 THR A 790 12.237 33.433 9.444 1.00 31.21 A C\nATOM 697 N GLN A 791 8.618 33.441 9.488 1.00 30.66 A N\nATOM 698 CA GLN A 791 7.785 33.807 10.630 1.00 36.46 A C\nATOM 699 C GLN A 791 8.674 34.148 11.824 1.00 34.02 A C\nATOM 700 O GLN A 791 9.592 33.396 12.152 1.00 33.64 A O\nATOM 701 CB GLN A 791 6.819 32.678 10.987 1.00 35.09 A C\nATOM 702 CG GLN A 791 5.969 32.941 12.226 1.00 43.19 A C\nATOM 703 CD GLN A 791 5.029 31.789 12.571 1.00 55.79 A C\nATOM 704 OE1 GLN A 791 5.093 30.712 11.975 1.00 52.44 A O\nATOM 705 NE2 GLN A 791 4.162 32.011 13.552 1.00 61.70 A N\nATOM 706 N LEU A 792 8.411 35.287 12.464 1.00 31.17 A N\nATOM 707 CA LEU A 792 9.174 35.661 13.656 1.00 33.99 A C\nATOM 708 C LEU A 792 8.850 34.728 14.811 1.00 43.25 A C\nATOM 709 O LEU A 792 7.684 34.452 15.080 1.00 34.41 A O\nATOM 710 CB LEU A 792 8.922 37.111 14.075 1.00 29.38 A C\nATOM 711 CG LEU A 792 9.671 37.595 15.317 1.00 33.72 A C\nATOM 712 CD1 LEU A 792 11.186 37.568 15.018 1.00 31.79 A C\nATOM 713 CD2 LEU A 792 9.205 38.962 15.810 1.00 33.47 A C\nATOM 714 N MET A 793 9.888 34.228 15.477 1.00 34.59 A N\nATOM 715 CA MET A 793 9.710 33.390 16.667 1.00 38.57 A C\nATOM 716 C MET A 793 10.133 34.232 17.866 1.00 35.33 A C\nATOM 717 O MET A 793 11.318 34.339 18.163 1.00 31.81 A O\nATOM 718 CB MET A 793 10.542 32.098 16.609 1.00 31.33 A C\nATOM 719 CG MET A 793 10.279 31.184 15.428 1.00 47.71 A C\nATOM 720 SD MET A 793 8.821 30.169 15.693 1.00 56.46 A S\nATOM 721 CE MET A 793 7.733 30.916 14.499 1.00 48.95 A C\nATOM 722 N PRO A 794 9.162 34.859 18.553 1.00 35.55 A N\nATOM 723 CA PRO A 794 9.545 35.860 19.543 1.00 30.76 A C\nATOM 724 C PRO A 794 9.986 35.307 20.884 1.00 28.26 A C\nATOM 725 O PRO A 794 10.447 36.072 21.701 1.00 34.35 A O\nATOM 726 CB PRO A 794 8.248 36.694 19.710 1.00 42.71 A C\nATOM 727 CG PRO A 794 7.172 35.699 19.470 1.00 43.64 A C\nATOM 728 CD PRO A 794 7.693 34.780 18.392 1.00 44.18 A C\nATOM 729 N PHE A 795 9.891 33.990 21.115 1.00 29.98 A N\nATOM 730 CA PHE A 795 10.526 33.422 22.310 1.00 33.66 A C\nATOM 731 C PHE A 795 12.029 33.222 22.148 1.00 31.23 A C\nATOM 732 O PHE A 795 12.724 32.956 23.132 1.00 37.68 A O\nATOM 733 CB PHE A 795 9.840 32.132 22.793 1.00 39.00 A C\nATOM 734 CG PHE A 795 8.409 32.336 23.205 1.00 47.26 A C\nATOM 735 CD1 PHE A 795 7.408 31.504 22.721 1.00 53.18 A C\nATOM 736 CD2 PHE A 795 8.058 33.381 24.059 1.00 58.22 A C\nATOM 737 CE1 PHE A 795 6.080 31.702 23.090 1.00 72.79 A C\nATOM 738 CE2 PHE A 795 6.734 33.585 24.431 1.00 64.24 A C\nATOM 739 CZ PHE A 795 5.742 32.745 23.944 1.00 67.83 A C\nATOM 740 N GLY A 796 12.521 33.370 20.915 1.00 32.03 A N\nATOM 741 CA GLY A 796 13.979 33.388 20.629 1.00 34.05 A C\nATOM 742 C GLY A 796 14.608 32.018 20.441 1.00 33.43 A C\nATOM 743 O GLY A 796 13.889 31.009 20.242 1.00 31.30 A O\nATOM 744 N CYS A 797 15.943 31.954 20.486 1.00 30.57 A N\nATOM 745 CA CYS A 797 16.586 30.652 20.281 1.00 29.37 A C\nATOM 746 C CYS A 797 16.668 29.805 21.550 1.00 30.71 A C\nATOM 747 O CYS A 797 16.623 30.314 22.695 1.00 30.01 A O\nATOM 748 CB CYS A 797 17.978 30.814 19.648 1.00 43.11 A C\nATOM 749 SG CYS A 797 19.123 31.656 20.730 1.00 58.13 A S\nATOM 750 N LEU A 798 16.791 28.495 21.342 1.00 35.30 A N\nATOM 751 CA LEU A 798 16.874 27.549 22.445 1.00 34.49 A C\nATOM 752 C LEU A 798 18.173 27.763 23.222 1.00 29.27 A C\nATOM 753 O LEU A 798 18.205 27.541 24.431 1.00 31.95 A O\nATOM 754 CB LEU A 798 16.769 26.092 21.946 1.00 28.13 A C\nATOM 755 CG LEU A 798 16.579 25.005 23.020 1.00 30.34 A C\nATOM 756 CD1 LEU A 798 15.398 25.294 23.961 1.00 34.84 A C\nATOM 757 CD2 LEU A 798 16.357 23.627 22.364 1.00 29.21 A C\nATOM 758 N LEU A 799 19.221 28.218 22.540 1.00 31.78 A N\nATOM 759 CA LEU A 799 20.484 28.489 23.226 1.00 30.68 A C\nATOM 760 C LEU A 799 20.288 29.581 24.284 1.00 32.64 A C\nATOM 761 O LEU A 799 20.748 29.461 25.421 1.00 31.25 A O\nATOM 762 CB LEU A 799 21.592 28.875 22.230 1.00 32.88 A C\nATOM 763 CG LEU A 799 22.929 29.276 22.874 1.00 31.32 A C\nATOM 764 CD1 LEU A 799 23.518 28.108 23.667 1.00 36.85 A C\nATOM 765 CD2 LEU A 799 23.967 29.769 21.868 1.00 36.94 A C\nATOM 766 N ASP A 800 19.583 30.643 23.912 1.00 32.68 A N\nATOM 767 CA ASP A 800 19.374 31.739 24.855 1.00 34.91 A C\nATOM 768 C ASP A 800 18.443 31.291 25.942 1.00 31.79 A C\nATOM 769 O ASP A 800 18.597 31.688 27.095 1.00 32.60 A O\nATOM 770 CB ASP A 800 18.845 32.992 24.160 1.00 34.98 A C\nATOM 771 CG ASP A 800 19.900 33.683 23.315 1.00 52.24 A C\nATOM 772 OD1 ASP A 800 19.513 34.368 22.349 1.00 55.86 A O\nATOM 773 OD2 ASP A 800 21.114 33.544 23.610 1.00 50.16 A O\nATOM 774 N TYR A 801 17.485 30.434 25.575 1.00 32.99 A N\nATOM 775 CA TYR A 801 16.480 29.942 26.513 1.00 37.10 A C\nATOM 776 C TYR A 801 17.077 29.074 27.614 1.00 36.24 A C\nATOM 777 O TYR A 801 16.769 29.274 28.794 1.00 36.20 A O\nATOM 778 CB TYR A 801 15.381 29.168 25.781 1.00 31.79 A C\nATOM 779 CG TYR A 801 14.195 28.833 26.648 1.00 40.70 A C\nATOM 780 CD1 TYR A 801 14.160 27.658 27.392 1.00 40.54 A C\nATOM 781 CD2 TYR A 801 13.087 29.703 26.717 1.00 40.28 A C\nATOM 782 CE1 TYR A 801 13.060 27.344 28.187 1.00 45.35 A C\nATOM 783 CE2 TYR A 801 11.985 29.402 27.512 1.00 47.53 A C\nATOM 784 CZ TYR A 801 11.979 28.223 28.241 1.00 48.21 A C\nATOM 785 OH TYR A 801 10.900 27.909 29.028 1.00 52.74 A O\nATOM 786 N VAL A 802 17.945 28.132 27.248 1.00 34.38 A N\nATOM 787 CA VAL A 802 18.619 27.317 28.275 1.00 32.90 A C\nATOM 788 C VAL A 802 19.560 28.099 29.203 1.00 35.29 A C\nATOM 789 O VAL A 802 19.650 27.794 30.384 1.00 36.18 A O\nATOM 790 CB VAL A 802 19.318 26.049 27.707 1.00 35.68 A C\nATOM 791 CG1 VAL A 802 18.309 25.183 26.975 1.00 32.43 A C\nATOM 792 CG2 VAL A 802 20.491 26.388 26.799 1.00 30.24 A C\nATOM 793 N ARG A 803 20.273 29.077 28.652 1.00 35.21 A N\nATOM 794 CA ARG A 803 21.118 29.983 29.430 1.00 34.14 A C\nATOM 795 C ARG A 803 20.283 30.806 30.422 1.00 34.89 A C\nATOM 796 O ARG A 803 20.659 30.943 31.581 1.00 36.87 A O\nATOM 797 CB ARG A 803 21.882 30.923 28.493 1.00 37.80 A C\nATOM 798 CG ARG A 803 23.077 30.252 27.824 1.00 40.47 A C\nATOM 799 CD ARG A 803 23.626 31.102 26.693 1.00 37.81 A C\nATOM 800 NE ARG A 803 24.840 30.526 26.094 1.00 31.61 A N\nATOM 801 CZ ARG A 803 25.558 31.121 25.144 1.00 42.39 A C\nATOM 802 NH1 ARG A 803 25.187 32.304 24.666 1.00 40.81 A N\nATOM 803 NH2 ARG A 803 26.647 30.541 24.660 1.00 37.03 A N\nATOM 804 N GLU A 804 19.133 31.303 29.973 1.00 38.72 A N\nATOM 805 CA GLU A 804 18.271 32.145 30.822 1.00 41.32 A C\nATOM 806 C GLU A 804 17.514 31.355 31.902 1.00 49.15 A C\nATOM 807 O GLU A 804 17.378 31.812 33.048 1.00 42.48 A O\nATOM 808 CB GLU A 804 17.299 32.946 29.948 1.00 41.36 A C\nATOM 809 CG GLU A 804 16.339 33.862 30.708 1.00 59.06 A C\nATOM 810 CD GLU A 804 16.924 35.233 31.006 1.00 77.26 A C\nATOM 811 OE1 GLU A 804 18.167 35.388 30.997 1.00 77.65 A O\nATOM 812 OE2 GLU A 804 16.130 36.168 31.246 1.00 98.71 A O\nATOM 813 N HIS A 805 17.039 30.166 31.541 1.00 38.93 A N\nATOM 814 CA HIS A 805 16.138 29.400 32.401 1.00 43.34 A C\nATOM 815 C HIS A 805 16.748 28.177 33.068 1.00 43.35 A C\nATOM 816 O HIS A 805 16.020 27.342 33.600 1.00 51.79 A O\nATOM 817 CB HIS A 805 14.870 29.006 31.632 1.00 44.55 A C\nATOM 818 CG HIS A 805 14.083 30.182 31.156 1.00 52.86 A C\nATOM 819 ND1 HIS A 805 14.167 30.660 29.867 1.00 54.67 A N\nATOM 820 CD2 HIS A 805 13.232 31.007 31.809 1.00 55.38 A C\nATOM 821 CE1 HIS A 805 13.389 31.720 29.742 1.00 60.50 A C\nATOM 822 NE2 HIS A 805 12.809 31.950 30.905 1.00 62.29 A N\nATOM 823 N LYS A 806 18.074 28.090 33.066 1.00 44.74 A N\nATOM 824 CA LYS A 806 18.785 26.942 33.615 1.00 45.17 A C\nATOM 825 C LYS A 806 18.172 26.384 34.918 1.00 56.68 A C\nATOM 826 O LYS A 806 17.865 25.192 35.011 1.00 53.97 A O\nATOM 827 CB LYS A 806 20.268 27.288 33.806 1.00 43.12 A C\nATOM 828 CG LYS A 806 21.042 26.183 34.499 1.00 58.87 A C\nATOM 829 CD LYS A 806 22.491 26.560 34.763 1.00 64.56 A C\nATOM 830 CE LYS A 806 23.200 25.398 35.441 1.00 65.16 A C\nATOM 831 NZ LYS A 806 24.382 25.844 36.218 1.00 60.36 A N\nATOM 832 N ASP A 807 17.965 27.256 35.904 1.00 53.18 A N\nATOM 833 CA ASP A 807 17.482 26.843 37.231 1.00 56.78 A C\nATOM 834 C ASP A 807 16.028 26.323 37.271 1.00 63.01 A C\nATOM 835 O ASP A 807 15.553 25.851 38.313 1.00 56.81 A O\nATOM 836 CB ASP A 807 17.667 27.995 38.233 1.00 62.76 A C\nATOM 837 CG ASP A 807 19.124 28.431 38.363 1.00 73.79 A C\nATOM 838 OD1 ASP A 807 20.027 27.618 38.050 1.00 68.87 A O\nATOM 839 OD2 ASP A 807 19.366 29.586 38.782 1.00 75.03 A O\nATOM 840 N ASN A 808 15.330 26.396 36.142 1.00 45.89 A N\nATOM 841 CA ASN A 808 13.943 25.914 36.067 1.00 56.29 A C\nATOM 842 C ASN A 808 13.695 24.837 35.025 1.00 52.02 A C\nATOM 843 O ASN A 808 12.554 24.400 34.845 1.00 49.29 A O\nATOM 844 CB ASN A 808 12.980 27.078 35.838 1.00 48.40 A C\nATOM 845 CG ASN A 808 12.826 27.946 37.065 1.00 62.63 A C\nATOM 846 OD1 ASN A 808 12.477 27.461 38.144 1.00 73.28 A O\nATOM 847 ND2 ASN A 808 13.085 29.238 36.909 1.00 61.06 A N\nATOM 848 N ILE A 809 14.753 24.416 34.339 1.00 48.57 A N\nATOM 849 CA ILE A 809 14.637 23.400 33.288 1.00 41.03 A C\nATOM 850 C ILE A 809 14.874 21.999 33.849 1.00 45.86 A C\nATOM 851 O ILE A 809 15.958 21.694 34.351 1.00 41.10 A O\nATOM 852 CB ILE A 809 15.604 23.686 32.115 1.00 41.13 A C\nATOM 853 CG1 ILE A 809 15.190 24.972 31.390 1.00 35.35 A C\nATOM 854 CG2 ILE A 809 15.645 22.510 31.144 1.00 38.57 A C\nATOM 855 CD1 ILE A 809 16.272 25.545 30.484 1.00 34.81 A C\nATOM 856 N GLY A 810 13.852 21.151 33.736 1.00 42.20 A N\nATOM 857 CA GLY A 810 13.925 19.761 34.180 1.00 45.43 A C\nATOM 858 C GLY A 810 14.296 18.770 33.086 1.00 40.55 A C\nATOM 859 O GLY A 810 14.349 19.116 31.901 1.00 40.46 A O\nATOM 860 N SER A 811 14.534 17.525 33.485 1.00 36.70 A N\nATOM 861 CA SER A 811 15.009 16.508 32.567 1.00 39.63 A C\nATOM 862 C SER A 811 14.044 16.236 31.431 1.00 40.65 A C\nATOM 863 O SER A 811 14.482 15.944 30.322 1.00 35.55 A O\nATOM 864 CB SER A 811 15.310 15.211 33.314 1.00 42.84 A C\nATOM 865 OG SER A 811 14.205 14.860 34.128 1.00 46.09 A O\nATOM 866 N GLN A 812 12.738 16.306 31.721 1.00 36.00 A N\nATOM 867 CA GLN A 812 11.706 16.021 30.737 1.00 37.19 A C\nATOM 868 C GLN A 812 11.785 16.967 29.549 1.00 36.52 A C\nATOM 869 O GLN A 812 11.662 16.540 28.397 1.00 33.95 A O\nATOM 870 CB GLN A 812 10.313 16.118 31.379 1.00 42.80 A C\nATOM 871 CG GLN A 812 9.171 15.675 30.473 1.00 41.78 A C\nATOM 872 CD GLN A 812 9.182 14.179 30.210 1.00 46.95 A C\nATOM 873 OE1 GLN A 812 8.750 13.390 31.044 1.00 44.42 A O\nATOM 874 NE2 GLN A 812 9.675 13.785 29.044 1.00 42.08 A N\nATOM 875 N TYR A 813 11.963 18.254 29.832 1.00 32.34 A N\nATOM 876 CA TYR A 813 12.030 19.240 28.771 1.00 32.29 A C\nATOM 877 C TYR A 813 13.266 19.034 27.908 1.00 31.16 A C\nATOM 878 O TYR A 813 13.163 19.089 26.680 1.00 29.68 A O\nATOM 879 CB TYR A 813 12.024 20.652 29.344 1.00 38.14 A C\nATOM 880 CG TYR A 813 10.622 21.155 29.638 1.00 51.63 A C\nATOM 881 CD1 TYR A 813 9.906 21.869 28.679 1.00 54.26 A C\nATOM 882 CD2 TYR A 813 10.009 20.895 30.864 1.00 53.00 A C\nATOM 883 CE1 TYR A 813 8.622 22.329 28.940 1.00 68.44 A C\nATOM 884 CE2 TYR A 813 8.726 21.352 31.135 1.00 63.66 A C\nATOM 885 CZ TYR A 813 8.039 22.066 30.169 1.00 71.43 A C\nATOM 886 OH TYR A 813 6.767 22.523 30.430 1.00 76.05 A O\nATOM 887 N LEU A 814 14.420 18.807 28.549 1.00 36.58 A N\nATOM 888 CA LEU A 814 15.674 18.661 27.821 1.00 30.86 A C\nATOM 889 C LEU A 814 15.637 17.463 26.892 1.00 35.35 A C\nATOM 890 O LEU A 814 16.056 17.551 25.749 1.00 32.61 A O\nATOM 891 CB LEU A 814 16.871 18.486 28.781 1.00 34.36 A C\nATOM 892 CG LEU A 814 17.315 19.756 29.502 1.00 32.88 A C\nATOM 893 CD1 LEU A 814 18.045 19.417 30.796 1.00 31.09 A C\nATOM 894 CD2 LEU A 814 18.149 20.612 28.556 1.00 31.70 A C\nATOM 895 N LEU A 815 15.127 16.340 27.389 1.00 32.49 A N\nATOM 896 CA LEU A 815 15.018 15.148 26.557 1.00 32.42 A C\nATOM 897 C LEU A 815 13.996 15.297 25.445 1.00 28.76 A C\nATOM 898 O LEU A 815 14.208 14.802 24.337 1.00 26.06 A O\nATOM 899 CB LEU A 815 14.741 13.911 27.415 1.00 29.83 A C\nATOM 900 CG LEU A 815 15.915 13.501 28.312 1.00 33.92 A C\nATOM 901 CD1 LEU A 815 15.462 12.483 29.345 1.00 36.17 A C\nATOM 902 CD2 LEU A 815 17.080 12.941 27.508 1.00 37.71 A C\nATOM 903 N ASN A 816 12.867 15.947 25.736 1.00 30.63 A N\nATOM 904 CA ASN A 816 11.881 16.223 24.681 1.00 31.65 A C\nATOM 905 C ASN A 816 12.464 17.122 23.582 1.00 28.45 A C\nATOM 906 O ASN A 816 12.242 16.892 22.404 1.00 28.56 A O\nATOM 907 CB ASN A 816 10.589 16.848 25.249 1.00 31.15 A C\nATOM 908 CG ASN A 816 9.707 15.839 25.984 1.00 41.85 A C\nATOM 909 OD1 ASN A 816 9.945 14.631 25.965 1.00 44.46 A O\nATOM 910 ND2 ASN A 816 8.653 16.349 26.627 1.00 44.28 A N\nATOM 911 N TRP A 817 13.245 18.122 23.953 1.00 31.52 A N\nATOM 912 CA TRP A 817 13.885 18.918 22.908 1.00 34.10 A C\nATOM 913 C TRP A 817 14.764 18.075 21.997 1.00 28.46 A C\nATOM 914 O TRP A 817 14.776 18.295 20.785 1.00 27.78 A O\nATOM 915 CB TRP A 817 14.656 20.106 23.455 1.00 35.22 A C\nATOM 916 CG TRP A 817 13.763 21.120 24.175 1.00 35.48 A C\nATOM 917 CD1 TRP A 817 12.435 21.414 23.920 1.00 38.29 A C\nATOM 918 CD2 TRP A 817 14.147 21.925 25.286 1.00 33.22 A C\nATOM 919 NE1 TRP A 817 11.996 22.373 24.796 1.00 34.21 A N\nATOM 920 CE2 TRP A 817 13.019 22.700 25.653 1.00 42.26 A C\nATOM 921 CE3 TRP A 817 15.343 22.066 26.017 1.00 35.06 A C\nATOM 922 CZ2 TRP A 817 13.048 23.613 26.725 1.00 36.27 A C\nATOM 923 CZ3 TRP A 817 15.376 22.974 27.084 1.00 37.42 A C\nATOM 924 CH2 TRP A 817 14.226 23.738 27.424 1.00 39.45 A C\nATOM 925 N CYS A 818 15.495 17.121 22.578 1.00 31.30 A N\nATOM 926 CA CYS A 818 16.398 16.272 21.797 1.00 28.29 A C\nATOM 927 C CYS A 818 15.629 15.435 20.803 1.00 27.53 A C\nATOM 928 O CYS A 818 16.079 15.239 19.659 1.00 24.60 A O\nATOM 929 CB CYS A 818 17.216 15.373 22.712 1.00 30.70 A C\nATOM 930 SG CYS A 818 18.371 16.323 23.741 1.00 32.48 A S\nATOM 931 N VAL A 819 14.447 14.962 21.226 1.00 29.56 A N\nATOM 932 CA VAL A 819 13.585 14.184 20.330 1.00 26.87 A C\nATOM 933 C VAL A 819 13.133 15.070 19.189 1.00 22.48 A C\nATOM 934 O VAL A 819 13.221 14.688 18.026 1.00 27.83 A O\nATOM 935 CB VAL A 819 12.334 13.601 21.046 1.00 30.60 A C\nATOM 936 CG1 VAL A 819 11.386 12.992 20.031 1.00 33.23 A C\nATOM 937 CG2 VAL A 819 12.751 12.531 22.052 1.00 33.03 A C\nATOM 938 N GLN A 820 12.588 16.240 19.538 1.00 25.20 A N\nATOM 939 CA GLN A 820 12.071 17.161 18.544 1.00 24.15 A C\nATOM 940 C GLN A 820 13.084 17.584 17.506 1.00 28.99 A C\nATOM 941 O GLN A 820 12.771 17.653 16.320 1.00 26.26 A O\nATOM 942 CB GLN A 820 11.485 18.387 19.236 1.00 30.21 A C\nATOM 943 CG GLN A 820 10.167 18.044 19.948 1.00 29.63 A C\nATOM 944 CD GLN A 820 9.625 19.192 20.778 1.00 40.17 A C\nATOM 945 OE1 GLN A 820 10.012 20.344 20.586 1.00 38.95 A O\nATOM 946 NE2 GLN A 820 8.715 18.876 21.719 1.00 39.16 A N\nATOM 947 N ILE A 821 14.286 17.887 17.970 1.00 26.92 A N\nATOM 948 CA ILE A 821 15.378 18.243 17.044 1.00 27.15 A C\nATOM 949 C ILE A 821 15.708 17.057 16.121 1.00 21.32 A C\nATOM 950 O ILE A 821 15.835 17.221 14.917 1.00 22.85 A O\nATOM 951 CB ILE A 821 16.633 18.777 17.769 1.00 28.62 A C\nATOM 952 CG1 ILE A 821 16.328 20.096 18.516 1.00 25.26 A C\nATOM 953 CG2 ILE A 821 17.749 18.986 16.749 1.00 24.04 A C\nATOM 954 CD1 ILE A 821 17.358 20.475 19.579 1.00 24.33 A C\nATOM 955 N ALA A 822 15.776 15.855 16.678 1.00 23.15 A N\nATOM 956 CA ALA A 822 16.024 14.676 15.861 1.00 26.29 A C\nATOM 957 C ALA A 822 14.870 14.421 14.888 1.00 22.85 A C\nATOM 958 O ALA A 822 15.078 14.004 13.766 1.00 22.39 A O\nATOM 959 CB ALA A 822 16.303 13.459 16.738 1.00 32.12 A C\nATOM 960 N LYS A 823 13.620 14.706 15.281 1.00 22.94 A N\nATOM 961 CA LYS A 823 12.570 14.518 14.276 1.00 24.82 A C\nATOM 962 C LYS A 823 12.712 15.503 13.100 1.00 23.26 A C\nATOM 963 O LYS A 823 12.557 15.124 11.928 1.00 26.11 A O\nATOM 964 CB LYS A 823 11.183 14.694 14.927 1.00 22.51 A C\nATOM 965 CG LYS A 823 10.779 13.603 15.894 1.00 28.59 A C\nATOM 966 CD LYS A 823 9.395 13.859 16.515 1.00 31.72 A C\nATOM 967 CE LYS A 823 9.078 12.757 17.512 1.00 37.15 A C\nATOM 968 NZ LYS A 823 7.670 12.819 18.034 1.00 38.50 A N\nATOM 969 N GLY A 824 12.985 16.775 13.391 1.00 25.36 A N\nATOM 970 CA GLY A 824 13.145 17.759 12.309 1.00 29.39 A C\nATOM 971 C GLY A 824 14.330 17.419 11.403 1.00 26.12 A C\nATOM 972 O GLY A 824 14.287 17.590 10.179 1.00 24.27 A O\nATOM 973 N MET A 825 15.416 16.956 12.009 1.00 27.53 A N\nATOM 974 CA MET A 825 16.585 16.546 11.189 1.00 24.74 A C\nATOM 975 C MET A 825 16.271 15.293 10.348 1.00 23.11 A C\nATOM 976 O MET A 825 16.627 15.224 9.171 1.00 25.98 A O\nATOM 977 CB MET A 825 17.820 16.335 12.068 1.00 26.81 A C\nATOM 978 CG MET A 825 18.301 17.619 12.738 1.00 28.15 A C\nATOM 979 SD MET A 825 18.784 18.939 11.613 1.00 28.88 A S\nATOM 980 CE MET A 825 20.287 18.281 10.877 1.00 27.33 A C\nATOM 981 N ASN A 826 15.517 14.352 10.905 1.00 27.36 A N\nATOM 982 CA ASN A 826 15.105 13.212 10.109 1.00 26.66 A C\nATOM 983 C ASN A 826 14.194 13.641 8.933 1.00 24.20 A C\nATOM 984 O ASN A 826 14.274 13.071 7.825 1.00 22.04 A O\nATOM 985 CB ASN A 826 14.425 12.149 10.976 1.00 26.04 A C\nATOM 986 CG ASN A 826 14.052 10.912 10.187 1.00 28.55 A C\nATOM 987 OD1 ASN A 826 14.915 10.179 9.684 1.00 27.71 A O\nATOM 988 ND2 ASN A 826 12.746 10.665 10.078 1.00 31.03 A N\nATOM 989 N TYR A 827 13.365 14.662 9.159 1.00 30.63 A N\nATOM 990 CA TYR A 827 12.519 15.203 8.080 1.00 29.94 A C\nATOM 991 C TYR A 827 13.389 15.835 7.001 1.00 30.42 A C\nATOM 992 O TYR A 827 13.182 15.591 5.813 1.00 26.26 A O\nATOM 993 CB TYR A 827 11.488 16.219 8.608 1.00 27.76 A C\nATOM 994 CG TYR A 827 10.671 16.810 7.495 1.00 26.46 A C\nATOM 995 CD1 TYR A 827 9.442 16.223 7.089 1.00 28.24 A C\nATOM 996 CD2 TYR A 827 11.074 17.986 6.891 1.00 26.58 A C\nATOM 997 CE1 TYR A 827 8.711 16.792 6.051 1.00 24.43 A C\nATOM 998 CE2 TYR A 827 10.380 18.533 5.846 1.00 24.77 A C\nATOM 999 CZ TYR A 827 9.154 17.955 5.472 1.00 29.96 A C\nATOM 1000 OH TYR A 827 8.510 18.524 4.443 1.00 28.47 A O\nATOM 1001 N LEU A 828 14.400 16.619 7.395 1.00 28.36 A N\nATOM 1002 CA LEU A 828 15.313 17.165 6.391 1.00 30.91 A C\nATOM 1003 C LEU A 828 16.033 16.056 5.597 1.00 25.76 A C\nATOM 1004 O LEU A 828 16.242 16.188 4.400 1.00 24.44 A O\nATOM 1005 CB LEU A 828 16.298 18.149 7.029 1.00 24.38 A C\nATOM 1006 CG LEU A 828 15.708 19.448 7.601 1.00 26.71 A C\nATOM 1007 CD1 LEU A 828 16.776 20.314 8.270 1.00 34.46 A C\nATOM 1008 CD2 LEU A 828 15.025 20.236 6.478 1.00 32.58 A C\nATOM 1009 N GLU A 829 16.362 14.944 6.253 1.00 26.25 A N\nATOM 1010 CA GLU A 829 17.037 13.848 5.551 1.00 25.11 A C\nATOM 1011 C GLU A 829 16.085 13.197 4.524 1.00 28.25 A C\nATOM 1012 O GLU A 829 16.466 12.860 3.407 1.00 26.58 A O\nATOM 1013 CB GLU A 829 17.688 12.862 6.540 1.00 24.51 A C\nATOM 1014 CG GLU A 829 18.425 11.676 5.898 1.00 30.84 A C\nATOM 1015 CD GLU A 829 19.136 10.739 6.887 1.00 29.05 A C\nATOM 1016 OE1 GLU A 829 19.042 10.932 8.126 1.00 33.17 A O\nATOM 1017 OE2 GLU A 829 19.758 9.762 6.413 1.00 25.79 A O\nATOM 1018 N ASP A 830 14.822 13.067 4.895 1.00 28.69 A N\nATOM 1019 CA ASP A 830 13.805 12.642 3.916 1.00 32.95 A C\nATOM 1020 C ASP A 830 13.687 13.610 2.727 1.00 30.22 A C\nATOM 1021 O ASP A 830 13.474 13.181 1.591 1.00 31.90 A O\nATOM 1022 CB ASP A 830 12.453 12.404 4.600 1.00 30.71 A C\nATOM 1023 CG ASP A 830 12.429 11.120 5.445 1.00 33.56 A C\nATOM 1024 OD1 ASP A 830 11.726 11.097 6.469 1.00 33.94 A O\nATOM 1025 OD2 ASP A 830 13.131 10.142 5.116 1.00 34.53 A O\nATOM 1026 N ARG A 831 13.844 14.905 2.985 1.00 24.69 A N\nATOM 1027 CA ARG A 831 13.849 15.901 1.922 1.00 27.76 A C\nATOM 1028 C ARG A 831 15.213 15.968 1.207 1.00 30.75 A C\nATOM 1029 O ARG A 831 15.390 16.755 0.314 1.00 33.68 A O\nATOM 1030 CB ARG A 831 13.443 17.294 2.460 1.00 31.23 A C\nATOM 1031 CG ARG A 831 11.941 17.456 2.717 1.00 48.98 A C\nATOM 1032 CD ARG A 831 11.132 17.048 1.486 1.00 54.64 A C\nATOM 1033 NE ARG A 831 9.727 17.486 1.420 1.00 61.13 A N\nATOM 1034 CZ ARG A 831 9.329 18.755 1.320 1.00 57.98 A C\nATOM 1035 NH1 ARG A 831 8.030 19.054 1.222 1.00 43.34 A N\nATOM 1036 NH2 ARG A 831 10.224 19.734 1.332 1.00 75.24 A N\nATOM 1037 N ARG A 832 16.169 15.134 1.608 1.00 32.01 A N\nATOM 1038 CA ARG A 832 17.523 15.181 0.987 1.00 25.88 A C\nATOM 1039 C ARG A 832 18.165 16.581 1.055 1.00 26.82 A C\nATOM 1040 O ARG A 832 18.870 17.014 0.144 1.00 39.99 A O\nATOM 1041 CB ARG A 832 17.481 14.595 -0.449 1.00 26.75 A C\nATOM 1042 CG ARG A 832 16.852 13.203 -0.493 1.00 38.69 A C\nATOM 1043 CD ARG A 832 16.749 12.615 -1.901 1.00 44.66 A C\nATOM 1044 NE ARG A 832 18.060 12.375 -2.490 1.00 43.81 A N\nATOM 1045 CZ ARG A 832 18.292 12.142 -3.782 1.00 59.18 A C\nATOM 1046 NH1 ARG A 832 19.539 11.932 -4.198 1.00 65.97 A N\nATOM 1047 NH2 ARG A 832 17.295 12.120 -4.663 1.00 52.24 A N\nATOM 1048 N LEU A 833 17.972 17.251 2.186 1.00 27.81 A N\nATOM 1049 CA LEU A 833 18.510 18.577 2.418 1.00 34.21 A C\nATOM 1050 C LEU A 833 19.449 18.523 3.624 1.00 34.74 A C\nATOM 1051 O LEU A 833 18.999 18.429 4.771 1.00 30.53 A O\nATOM 1052 CB LEU A 833 17.364 19.579 2.657 1.00 34.42 A C\nATOM 1053 CG LEU A 833 17.613 21.095 2.539 1.00 38.35 A C\nATOM 1054 CD1 LEU A 833 16.355 21.860 2.907 1.00 47.96 A C\nATOM 1055 CD2 LEU A 833 18.768 21.594 3.393 1.00 52.23 A C\nATOM 1056 N VAL A 834 20.755 18.551 3.363 1.00 26.72 A N\nATOM 1057 CA VAL A 834 21.728 18.644 4.437 1.00 25.51 A C\nATOM 1058 C VAL A 834 21.700 20.057 5.048 1.00 23.33 A C\nATOM 1059 O VAL A 834 21.694 21.057 4.313 1.00 28.02 A O\nATOM 1060 CB VAL A 834 23.156 18.309 3.917 1.00 25.87 A C\nATOM 1061 CG1 VAL A 834 24.100 18.192 5.115 1.00 23.90 A C\nATOM 1062 CG2 VAL A 834 23.119 16.992 3.141 1.00 28.31 A C\nATOM 1063 N HIS A 835 21.660 20.124 6.381 1.00 24.32 A N\nATOM 1064 CA HIS A 835 21.506 21.383 7.113 1.00 23.28 A C\nATOM 1065 C HIS A 835 22.785 22.162 6.940 1.00 27.03 A C\nATOM 1066 O HIS A 835 22.813 23.290 6.411 1.00 26.76 A O\nATOM 1067 CB HIS A 835 21.277 21.097 8.607 1.00 22.96 A C\nATOM 1068 CG HIS A 835 20.801 22.288 9.388 1.00 25.87 A C\nATOM 1069 ND1 HIS A 835 21.552 23.426 9.550 1.00 25.72 A N\nATOM 1070 CD2 HIS A 835 19.625 22.522 10.030 1.00 29.70 A C\nATOM 1071 CE1 HIS A 835 20.875 24.313 10.264 1.00 26.78 A C\nATOM 1072 NE2 HIS A 835 19.701 23.783 10.576 1.00 27.19 A N\nATOM 1073 N ARG A 836 23.853 21.527 7.386 1.00 25.53 A N\nATOM 1074 CA ARG A 836 25.221 22.123 7.370 1.00 24.68 A C\nATOM 1075 C ARG A 836 25.537 23.182 8.437 1.00 30.73 A C\nATOM 1076 O ARG A 836 26.695 23.623 8.533 1.00 31.37 A O\nATOM 1077 CB ARG A 836 25.601 22.653 5.966 1.00 29.95 A C\nATOM 1078 CG ARG A 836 25.531 21.613 4.858 1.00 29.36 A C\nATOM 1079 CD ARG A 836 25.842 22.225 3.503 1.00 35.72 A C\nATOM 1080 NE ARG A 836 25.737 21.236 2.426 1.00 35.96 A N\nATOM 1081 CZ ARG A 836 24.613 20.915 1.795 1.00 42.66 A C\nATOM 1082 NH1 ARG A 836 23.454 21.500 2.119 1.00 43.85 A N\nATOM 1083 NH2 ARG A 836 24.655 20.006 0.825 1.00 45.95 A N\nATOM 1084 N ASP A 837 24.564 23.573 9.252 1.00 28.01 A N\nATOM 1085 CA ASP A 837 24.814 24.539 10.330 1.00 30.26 A C\nATOM 1086 C ASP A 837 23.893 24.288 11.553 1.00 24.80 A C\nATOM 1087 O ASP A 837 23.436 25.220 12.215 1.00 27.76 A O\nATOM 1088 CB ASP A 837 24.667 25.972 9.766 1.00 35.19 A C\nATOM 1089 CG ASP A 837 25.123 27.070 10.730 1.00 39.72 A C\nATOM 1090 OD1 ASP A 837 24.630 28.217 10.587 1.00 39.41 A O\nATOM 1091 OD2 ASP A 837 25.968 26.824 11.608 1.00 39.11 A O\nATOM 1092 N LEU A 838 23.664 23.019 11.894 1.00 22.90 A N\nATOM 1093 CA LEU A 838 22.936 22.738 13.109 1.00 26.01 A C\nATOM 1094 C LEU A 838 23.734 23.109 14.359 1.00 31.57 A C\nATOM 1095 O LEU A 838 24.933 22.815 14.484 1.00 23.80 A O\nATOM 1096 CB LEU A 838 22.428 21.289 13.139 1.00 23.02 A C\nATOM 1097 CG LEU A 838 21.594 20.979 14.380 1.00 21.58 A C\nATOM 1098 CD1 LEU A 838 20.220 21.710 14.325 1.00 23.98 A C\nATOM 1099 CD2 LEU A 838 21.381 19.486 14.377 1.00 26.15 A C\nATOM 1100 N ALA A 839 23.056 23.809 15.260 1.00 25.46 A N\nATOM 1101 CA ALA A 839 23.624 24.344 16.489 1.00 26.75 A C\nATOM 1102 C ALA A 839 22.450 24.802 17.349 1.00 26.96 A C\nATOM 1103 O ALA A 839 21.368 25.075 16.818 1.00 27.56 A O\nATOM 1104 CB ALA A 839 24.560 25.503 16.172 1.00 26.89 A C\nATOM 1105 N ALA A 840 22.647 24.874 18.660 1.00 25.41 A N\nATOM 1106 CA ALA A 840 21.586 25.344 19.568 1.00 28.19 A C\nATOM 1107 C ALA A 840 21.088 26.729 19.178 1.00 32.62 A C\nATOM 1108 O ALA A 840 19.888 27.022 19.337 1.00 26.09 A O\nATOM 1109 CB ALA A 840 22.036 25.315 21.015 1.00 31.55 A C\nATOM 1110 N ARG A 841 21.988 27.573 18.667 1.00 26.53 A N\nATOM 1111 CA ARG A 841 21.564 28.878 18.116 1.00 33.68 A C\nATOM 1112 C ARG A 841 20.540 28.815 16.971 1.00 29.87 A C\nATOM 1113 O ARG A 841 19.785 29.780 16.780 1.00 30.30 A O\nATOM 1114 CB ARG A 841 22.764 29.723 17.692 1.00 28.34 A C\nATOM 1115 CG ARG A 841 23.404 29.295 16.373 1.00 26.85 A C\nATOM 1116 CD ARG A 841 24.776 29.947 16.162 1.00 29.53 A C\nATOM 1117 NE ARG A 841 25.422 29.243 15.073 1.00 31.29 A N\nATOM 1118 CZ ARG A 841 26.341 28.302 15.254 1.00 39.55 A C\nATOM 1119 NH1 ARG A 841 26.771 28.031 16.482 1.00 34.98 A N\nATOM 1120 NH2 ARG A 841 26.851 27.654 14.208 1.00 34.16 A N\nATOM 1121 N ASN A 842 20.510 27.690 16.239 1.00 27.08 A N\nATOM 1122 CA ASN A 842 19.637 27.487 15.083 1.00 30.03 A C\nATOM 1123 C ASN A 842 18.422 26.601 15.370 1.00 24.67 A C\nATOM 1124 O ASN A 842 17.845 25.978 14.469 1.00 27.99 A O\nATOM 1125 CB ASN A 842 20.435 27.010 13.873 1.00 29.06 A C\nATOM 1126 CG ASN A 842 21.262 28.134 13.254 1.00 37.72 A C\nATOM 1127 OD1 ASN A 842 20.864 29.305 13.306 1.00 30.50 A O\nATOM 1128 ND2 ASN A 842 22.422 27.794 12.679 1.00 29.81 A N\nATOM 1129 N VAL A 843 18.136 26.486 16.658 1.00 23.76 A N\nATOM 1130 CA VAL A 843 16.903 25.867 17.159 1.00 30.91 A C\nATOM 1131 C VAL A 843 16.114 26.985 17.836 1.00 31.47 A C\nATOM 1132 O VAL A 843 16.638 27.662 18.721 1.00 31.89 A O\nATOM 1133 CB VAL A 843 17.212 24.725 18.140 1.00 27.97 A C\nATOM 1134 CG1 VAL A 843 15.915 24.065 18.619 1.00 27.30 A C\nATOM 1135 CG2 VAL A 843 18.140 23.693 17.466 1.00 24.18 A C\nATOM 1136 N LEU A 844 14.852 27.149 17.445 1.00 31.01 A N\nATOM 1137 CA LEU A 844 14.016 28.272 17.951 1.00 28.78 A C\nATOM 1138 C LEU A 844 12.878 27.747 18.798 1.00 31.95 A C\nATOM 1139 O LEU A 844 12.356 26.667 18.531 1.00 29.93 A O\nATOM 1140 CB LEU A 844 13.463 29.114 16.782 1.00 31.04 A C\nATOM 1141 CG LEU A 844 14.521 29.764 15.877 1.00 31.25 A C\nATOM 1142 CD1 LEU A 844 13.961 30.700 14.816 1.00 33.04 A C\nATOM 1143 CD2 LEU A 844 15.550 30.506 16.706 1.00 35.54 A C\nATOM 1144 N VAL A 845 12.508 28.516 19.819 1.00 33.45 A N\nATOM 1145 CA VAL A 845 11.410 28.169 20.722 1.00 37.40 A C\nATOM 1146 C VAL A 845 10.050 28.660 20.197 1.00 39.79 A C\nATOM 1147 O VAL A 845 9.791 29.864 20.151 1.00 40.55 A O\nATOM 1148 CB VAL A 845 11.706 28.704 22.144 1.00 37.90 A C\nATOM 1149 CG1 VAL A 845 10.598 28.332 23.123 1.00 34.42 A C\nATOM 1150 CG2 VAL A 845 13.046 28.162 22.639 1.00 34.23 A C\nATOM 1151 N LYS A 846 9.193 27.725 19.786 1.00 36.10 A N\nATOM 1152 CA LYS A 846 7.792 28.043 19.467 1.00 43.58 A C\nATOM 1153 C LYS A 846 7.040 28.141 20.792 1.00 38.19 A C\nATOM 1154 O LYS A 846 6.412 29.158 21.072 1.00 44.16 A O\nATOM 1155 CB LYS A 846 7.146 27.007 18.536 1.00 37.43 A C\nATOM 1156 CG LYS A 846 5.735 27.380 18.068 1.00 51.46 A C\nATOM 1157 CD LYS A 846 5.003 26.147 17.561 1.00 57.04 A C\nATOM 1158 CE LYS A 846 4.089 26.461 16.386 1.00 75.97 A C\nATOM 1159 NZ LYS A 846 2.821 27.114 16.809 1.00 61.01 A N\nATOM 1160 N THR A 847 7.130 27.085 21.599 1.00 36.95 A N\nATOM 1161 CA THR A 847 6.734 27.118 23.010 1.00 39.96 A C\nATOM 1162 C THR A 847 7.791 26.344 23.785 1.00 49.25 A C\nATOM 1163 O THR A 847 8.513 25.553 23.189 1.00 46.91 A O\nATOM 1164 CB THR A 847 5.344 26.477 23.270 1.00 42.03 A C\nATOM 1165 OG1 THR A 847 5.416 25.049 23.139 1.00 40.28 A O\nATOM 1166 CG2 THR A 847 4.263 27.039 22.331 1.00 47.29 A C\nATOM 1167 N PRO A 848 7.901 26.572 25.111 1.00 47.74 A N\nATOM 1168 CA PRO A 848 8.844 25.778 25.902 1.00 44.52 A C\nATOM 1169 C PRO A 848 8.762 24.277 25.619 1.00 44.91 A C\nATOM 1170 O PRO A 848 9.757 23.575 25.766 1.00 45.92 A O\nATOM 1171 CB PRO A 848 8.410 26.061 27.339 1.00 47.17 A C\nATOM 1172 CG PRO A 848 7.836 27.433 27.296 1.00 54.20 A C\nATOM 1173 CD PRO A 848 7.324 27.679 25.899 1.00 53.60 A C\nATOM 1174 N GLN A 849 7.596 23.779 25.211 1.00 43.27 A N\nATOM 1175 CA GLN A 849 7.475 22.347 24.901 1.00 42.19 A C\nATOM 1176 C GLN A 849 7.481 22.009 23.389 1.00 42.64 A C\nATOM 1177 O GLN A 849 7.190 20.866 23.001 1.00 45.37 A O\nATOM 1178 CB GLN A 849 6.267 21.718 25.627 1.00 58.29 A C\nATOM 1179 CG GLN A 849 4.961 22.504 25.555 1.00 66.43 A C\nATOM 1180 CD GLN A 849 4.884 23.642 26.570 1.00 62.36 A C\nATOM 1181 OE1 GLN A 849 4.609 24.782 26.211 1.00 63.71 A O\nATOM 1182 NE2 GLN A 849 5.141 23.334 27.838 1.00 63.07 A N\nATOM 1183 N HIS A 850 7.806 22.998 22.549 1.00 43.34 A N\nATOM 1184 CA HIS A 850 7.827 22.837 21.080 1.00 36.09 A C\nATOM 1185 C HIS A 850 8.939 23.707 20.451 1.00 35.72 A C\nATOM 1186 O HIS A 850 8.834 24.935 20.398 1.00 38.30 A O\nATOM 1187 CB HIS A 850 6.465 23.232 20.495 1.00 47.52 A C\nATOM 1188 CG HIS A 850 6.285 22.897 19.044 1.00 56.05 A C\nATOM 1189 ND1 HIS A 850 5.061 22.545 18.513 1.00 67.56 A N\nATOM 1190 CD2 HIS A 850 7.165 22.862 18.013 1.00 46.60 A C\nATOM 1191 CE1 HIS A 850 5.195 22.314 17.219 1.00 61.32 A C\nATOM 1192 NE2 HIS A 850 6.461 22.497 16.891 1.00 50.10 A N\nATOM 1193 N VAL A 851 9.997 23.065 19.957 1.00 30.62 A N\nATOM 1194 CA VAL A 851 11.119 23.801 19.316 1.00 27.66 A C\nATOM 1195 C VAL A 851 11.258 23.414 17.837 1.00 29.34 A C\nATOM 1196 O VAL A 851 10.790 22.339 17.409 1.00 37.31 A O\nATOM 1197 CB VAL A 851 12.459 23.615 20.093 1.00 27.08 A C\nATOM 1198 CG1 VAL A 851 12.320 24.093 21.527 1.00 28.71 A C\nATOM 1199 CG2 VAL A 851 12.917 22.166 20.074 1.00 29.61 A C\nATOM 1200 N LYS A 852 11.848 24.295 17.049 1.00 25.66 A N\nATOM 1201 CA LYS A 852 11.927 24.130 15.593 1.00 29.99 A C\nATOM 1202 C LYS A 852 13.322 24.502 15.084 1.00 31.41 A C\nATOM 1203 O LYS A 852 13.919 25.461 15.577 1.00 32.82 A O\nATOM 1204 CB LYS A 852 10.930 25.045 14.883 1.00 29.63 A C\nATOM 1205 CG LYS A 852 9.481 24.848 15.301 1.00 35.70 A C\nATOM 1206 CD LYS A 852 8.547 25.799 14.559 1.00 39.50 A C\nATOM 1207 CE LYS A 852 8.240 25.299 13.156 1.00 45.39 A C\nATOM 1208 NZ LYS A 852 7.134 26.073 12.523 1.00 54.24 A N\nATOM 1209 N ILE A 853 13.787 23.781 14.065 1.00 27.56 A N\nATOM 1210 CA ILE A 853 15.114 24.014 13.466 1.00 30.12 A C\nATOM 1211 C ILE A 853 15.005 25.045 12.339 1.00 31.59 A C\nATOM 1212 O ILE A 853 14.017 25.067 11.596 1.00 31.70 A O\nATOM 1213 CB ILE A 853 15.695 22.700 12.885 1.00 25.76 A C\nATOM 1214 CG1 ILE A 853 15.805 21.647 13.983 1.00 26.76 A C\nATOM 1215 CG2 ILE A 853 17.031 22.964 12.191 1.00 32.39 A C\nATOM 1216 CD1 ILE A 853 15.788 20.251 13.420 1.00 36.59 A C\nATOM 1217 N THR A 854 16.008 25.909 12.237 1.00 25.25 A N\nATOM 1218 CA THR A 854 16.073 26.896 11.179 1.00 27.24 A C\nATOM 1219 C THR A 854 17.503 26.936 10.582 1.00 28.06 A C\nATOM 1220 O THR A 854 18.380 26.227 11.069 1.00 31.74 A O\nATOM 1221 CB THR A 854 15.656 28.302 11.705 1.00 24.66 A C\nATOM 1222 OG1 THR A 854 15.473 29.166 10.579 1.00 25.50 A O\nATOM 1223 CG2 THR A 854 16.714 28.916 12.649 1.00 28.04 A C\nATOM 1224 N ASP A 855 17.692 27.727 9.517 1.00 26.22 A N\nATOM 1225 CA ASP A 855 19.025 28.078 8.949 1.00 33.58 A C\nATOM 1226 C ASP A 855 19.662 26.928 8.139 1.00 27.70 A C\nATOM 1227 O ASP A 855 20.866 26.952 7.856 1.00 41.67 A O\nATOM 1228 CB ASP A 855 19.977 28.578 10.059 1.00 34.40 A C\nATOM 1229 CG ASP A 855 20.915 29.702 9.592 1.00 43.40 A C\nATOM 1230 OD1 ASP A 855 20.500 30.546 8.761 1.00 40.77 A O\nATOM 1231 OD2 ASP A 855 22.072 29.765 10.083 1.00 42.67 A O\nATOM 1232 N PHE A 856 18.848 25.931 7.775 1.00 31.84 A N\nATOM 1233 CA PHE A 856 19.295 24.768 6.988 1.00 27.77 A C\nATOM 1234 C PHE A 856 19.514 25.134 5.526 1.00 38.25 A C\nATOM 1235 O PHE A 856 18.707 25.862 4.918 1.00 35.00 A O\nATOM 1236 CB PHE A 856 18.299 23.609 7.116 1.00 31.72 A C\nATOM 1237 CG PHE A 856 16.859 24.013 6.902 1.00 37.42 A C\nATOM 1238 CD1 PHE A 856 16.058 24.398 7.982 1.00 39.39 A C\nATOM 1239 CD2 PHE A 856 16.313 24.012 5.628 1.00 35.12 A C\nATOM 1240 CE1 PHE A 856 14.722 24.772 7.786 1.00 33.38 A C\nATOM 1241 CE2 PHE A 856 14.977 24.374 5.431 1.00 41.41 A C\nATOM 1242 CZ PHE A 856 14.198 24.755 6.510 1.00 31.08 A C\nATOM 1243 N GLY A 857 20.622 24.655 4.960 1.00 31.90 A N\nATOM 1244 CA GLY A 857 20.859 24.804 3.519 1.00 31.25 A C\nATOM 1245 C GLY A 857 21.491 26.110 3.089 1.00 35.22 A C\nATOM 1246 O GLY A 857 21.668 26.359 1.897 1.00 36.36 A O\nATOM 1247 N LEU A 858 21.834 26.959 4.051 1.00 36.41 A N\nATOM 1248 CA LEU A 858 22.374 28.251 3.733 1.00 33.90 A C\nATOM 1249 C LEU A 858 23.850 28.082 3.359 1.00 36.55 A C\nATOM 1250 O LEU A 858 24.343 28.746 2.449 1.00 35.70 A O\nATOM 1251 CB LEU A 858 22.223 29.193 4.931 1.00 41.10 A C\nATOM 1252 CG LEU A 858 22.171 30.700 4.704 1.00 43.83 A C\nATOM 1253 CD1 LEU A 858 21.064 31.083 3.723 1.00 46.99 A C\nATOM 1254 CD2 LEU A 858 21.948 31.375 6.046 1.00 35.64 A C\nATOM 1255 N ALA A 859 24.532 27.169 4.052 1.00 35.60 A N\nATOM 1256 CA ALA A 859 25.942 26.925 3.767 1.00 37.84 A C\nATOM 1257 C ALA A 859 26.099 26.444 2.330 1.00 40.12 A C\nATOM 1258 O ALA A 859 27.072 26.801 1.659 1.00 37.50 A O\nATOM 1259 CB ALA A 859 26.545 25.930 4.746 1.00 34.95 A C\nATOM 1260 N LYS A 860 25.133 25.648 1.851 1.00 35.37 A N\nATOM 1261 CA LYS A 860 25.130 25.217 0.457 1.00 40.64 A C\nATOM 1262 C LYS A 860 24.865 26.396 -0.464 1.00 37.43 A C\nATOM 1263 O LYS A 860 25.539 26.565 -1.475 1.00 43.25 A O\nATOM 1264 CB LYS A 860 24.093 24.118 0.194 1.00 47.18 A C\nATOM 1265 CG LYS A 860 23.823 23.875 -1.292 1.00 52.81 A C\nATOM 1266 CD LYS A 860 23.407 22.442 -1.573 1.00 54.14 A C\nATOM 1267 CE LYS A 860 23.585 22.101 -3.044 1.00 65.94 A C\nATOM 1268 NZ LYS A 860 23.618 20.628 -3.255 1.00 73.01 A N\nATOM 1269 N LEU A 861 23.869 27.198 -0.120 1.00 35.22 A N\nATOM 1270 CA LEU A 861 23.469 28.302 -0.989 1.00 42.52 A C\nATOM 1271 C LEU A 861 24.635 29.262 -1.217 1.00 43.31 A C\nATOM 1272 O LEU A 861 24.785 29.824 -2.307 1.00 42.59 A O\nATOM 1273 CB LEU A 861 22.281 29.042 -0.379 1.00 45.30 A C\nATOM 1274 CG LEU A 861 21.724 30.283 -1.079 1.00 60.80 A C\nATOM 1275 CD1 LEU A 861 21.344 29.986 -2.523 1.00 74.68 A C\nATOM 1276 CD2 LEU A 861 20.527 30.808 -0.297 1.00 46.66 A C\nATOM 1277 N LEU A 862 25.458 29.422 -0.184 1.00 43.61 A N\nATOM 1278 CA LEU A 862 26.554 30.390 -0.192 1.00 47.31 A C\nATOM 1279 C LEU A 862 27.869 29.821 -0.747 1.00 48.26 A C\nATOM 1280 O LEU A 862 28.882 30.523 -0.807 1.00 49.35 A O\nATOM 1281 CB LEU A 862 26.749 30.970 1.218 1.00 45.15 A C\nATOM 1282 CG LEU A 862 25.676 31.944 1.740 1.00 45.97 A C\nATOM 1283 CD1 LEU A 862 25.961 32.300 3.191 1.00 48.31 A C\nATOM 1284 CD2 LEU A 862 25.608 33.210 0.888 1.00 47.47 A C\nATOM 1285 N GLY A 863 27.853 28.549 -1.142 1.00 49.38 A N\nATOM 1286 CA GLY A 863 29.018 27.916 -1.781 1.00 45.16 A C\nATOM 1287 C GLY A 863 30.128 27.447 -0.847 1.00 39.80 A C\nATOM 1288 O GLY A 863 31.286 27.311 -1.271 1.00 50.15 A O\nATOM 1289 N ALA A 864 29.787 27.166 0.413 1.00 40.85 A N\nATOM 1290 CA ALA A 864 30.789 26.748 1.398 1.00 42.57 A C\nATOM 1291 C ALA A 864 31.329 25.336 1.148 1.00 38.79 A C\nATOM 1292 O ALA A 864 32.211 24.884 1.866 1.00 42.81 A O\nATOM 1293 CB ALA A 864 30.257 26.864 2.811 1.00 41.45 A C\nATOM 1294 N GLU A 865 30.779 24.650 0.148 1.00 36.82 A N\nATOM 1295 CA GLU A 865 31.281 23.322 -0.252 1.00 44.30 A C\nATOM 1296 C GLU A 865 32.377 23.443 -1.311 1.00 47.98 A C\nATOM 1297 O GLU A 865 32.982 22.444 -1.707 1.00 40.23 A O\nATOM 1298 CB GLU A 865 30.145 22.407 -0.761 1.00 41.00 A C\nATOM 1299 CG GLU A 865 29.020 22.190 0.244 1.00 53.30 A C\nATOM 1300 CD GLU A 865 28.086 21.053 -0.137 1.00 66.21 A C\nATOM 1301 OE1 GLU A 865 27.442 20.512 0.782 1.00 56.09 A O\nATOM 1302 OE2 GLU A 865 27.997 20.692 -1.337 1.00 63.67 A O\nATOM 1303 N GLU A 866 32.612 24.670 -1.770 1.00 47.17 A N\nATOM 1304 CA GLU A 866 33.608 24.955 -2.807 1.00 46.40 A C\nATOM 1305 C GLU A 866 34.700 25.832 -2.210 1.00 40.98 A C\nATOM 1306 O GLU A 866 34.497 26.450 -1.164 1.00 38.94 A O\nATOM 1307 CB GLU A 866 32.956 25.644 -4.019 1.00 46.22 A C\nATOM 1308 CG GLU A 866 32.102 24.730 -4.897 1.00 54.50 A C\nATOM 1309 CD GLU A 866 30.714 24.468 -4.337 1.00 68.80 A C\nATOM 1310 OE1 GLU A 866 30.121 23.425 -4.688 1.00 79.63 A O\nATOM 1311 OE2 GLU A 866 30.206 25.299 -3.553 1.00 68.10 A O\nATOM 1312 N LYS A 867 35.854 25.893 -2.877 1.00 37.24 A N\nATOM 1313 CA LYS A 867 37.036 26.539 -2.313 1.00 47.53 A C\nATOM 1314 C LYS A 867 36.911 28.067 -2.320 1.00 42.85 A C\nATOM 1315 O LYS A 867 37.482 28.740 -1.459 1.00 40.83 A O\nATOM 1316 CB LYS A 867 38.325 26.074 -3.037 1.00 37.61 A C\nATOM 1317 CG LYS A 867 38.432 26.433 -4.517 1.00 41.83 A C\nATOM 1318 CD LYS A 867 39.175 25.359 -5.323 1.00 39.74 A C\nATOM 1319 CE LYS A 867 38.867 25.438 -6.819 1.00 39.65 A C\nATOM 1320 NZ LYS A 867 37.395 25.435 -7.144 1.00 43.75 A N\nATOM 1321 N GLU A 868 36.150 28.584 -3.288 1.00 40.06 A N\nATOM 1322 CA GLU A 868 36.053 30.019 -3.559 1.00 46.64 A C\nATOM 1323 C GLU A 868 35.553 30.809 -2.344 1.00 48.10 A C\nATOM 1324 O GLU A 868 36.168 31.809 -1.964 1.00 42.32 A O\nATOM 1325 CB GLU A 868 35.192 30.281 -4.806 1.00 51.74 A C\nATOM 1326 CG GLU A 868 35.891 29.990 -6.136 1.00 53.17 A C\nATOM 1327 CD GLU A 868 35.976 28.505 -6.493 1.00 55.69 A C\nATOM 1328 OE1 GLU A 868 35.179 27.686 -5.971 1.00 42.46 A O\nATOM 1329 OE2 GLU A 868 36.850 28.153 -7.324 1.00 48.42 A O\nATOM 1330 N TYR A 869 34.454 30.346 -1.739 1.00 45.27 A N\nATOM 1331 CA TYR A 869 33.932 30.900 -0.471 1.00 44.49 A C\nATOM 1332 C TYR A 869 35.024 31.102 0.592 1.00 48.57 A C\nATOM 1333 O TYR A 869 35.104 32.164 1.215 1.00 44.29 A O\nATOM 1334 CB TYR A 869 32.801 29.997 0.082 1.00 48.00 A C\nATOM 1335 CG TYR A 869 32.241 30.446 1.420 1.00 43.34 A C\nATOM 1336 CD1 TYR A 869 32.588 29.791 2.597 1.00 37.95 A C\nATOM 1337 CD2 TYR A 869 31.372 31.544 1.509 1.00 44.45 A C\nATOM 1338 CE1 TYR A 869 32.083 30.202 3.827 1.00 37.47 A C\nATOM 1339 CE2 TYR A 869 30.878 31.968 2.739 1.00 42.96 A C\nATOM 1340 CZ TYR A 869 31.234 31.291 3.891 1.00 42.37 A C\nATOM 1341 OH TYR A 869 30.756 31.702 5.118 1.00 42.81 A O\nATOM 1342 N HIS A 870 35.870 30.090 0.777 1.00 42.45 A N\nATOM 1343 CA HIS A 870 36.910 30.105 1.819 1.00 39.96 A C\nATOM 1344 C HIS A 870 38.101 30.984 1.432 1.00 48.03 A C\nATOM 1345 O HIS A 870 38.716 31.644 2.285 1.00 44.35 A O\nATOM 1346 CB HIS A 870 37.352 28.671 2.130 1.00 43.61 A C\nATOM 1347 CG HIS A 870 36.249 27.816 2.689 1.00 45.24 A C\nATOM 1348 ND1 HIS A 870 35.330 27.165 1.891 1.00 48.50 A N\nATOM 1349 CD2 HIS A 870 35.909 27.525 3.966 1.00 41.55 A C\nATOM 1350 CE1 HIS A 870 34.478 26.501 2.653 1.00 40.12 A C\nATOM 1351 NE2 HIS A 870 34.803 26.708 3.917 1.00 54.39 A N\nATOM 1352 N ALA A 871 38.424 30.987 0.142 1.00 48.53 A N\nATOM 1353 CA ALA A 871 39.483 31.851 -0.386 1.00 52.92 A C\nATOM 1354 C ALA A 871 39.090 33.330 -0.289 1.00 57.64 A C\nATOM 1355 O ALA A 871 39.955 34.191 -0.122 1.00 49.04 A O\nATOM 1356 CB ALA A 871 39.812 31.468 -1.828 1.00 50.28 A C\nATOM 1357 N GLU A 872 37.784 33.610 -0.363 1.00 52.01 A N\nATOM 1358 CA GLU A 872 37.262 34.982 -0.336 1.00 56.03 A C\nATOM 1359 C GLU A 872 36.943 35.500 1.077 1.00 59.17 A C\nATOM 1360 O GLU A 872 36.239 36.500 1.231 1.00 61.85 A O\nATOM 1361 CB GLU A 872 36.029 35.099 -1.244 1.00 68.02 A C\nATOM 1362 CG GLU A 872 36.346 35.099 -2.734 1.00 77.21 A C\nATOM 1363 CD GLU A 872 35.157 34.711 -3.601 1.00 97.81 A C\nATOM 1364 OE1 GLU A 872 34.010 35.092 -3.275 1.00102.61 A O\nATOM 1365 OE2 GLU A 872 35.372 34.023 -4.622 1.00 97.00 A O\nATOM 1366 N GLY A 873 37.469 34.823 2.098 1.00 58.69 A N\nATOM 1367 CA GLY A 873 37.326 35.262 3.487 1.00 54.40 A C\nATOM 1368 C GLY A 873 36.155 34.670 4.258 1.00 44.99 A C\nATOM 1369 O GLY A 873 35.994 34.948 5.449 1.00 46.72 A O\nATOM 1370 N GLY A 874 35.348 33.841 3.597 1.00 41.02 A N\nATOM 1371 CA GLY A 874 34.156 33.248 4.231 1.00 46.70 A C\nATOM 1372 C GLY A 874 34.533 32.316 5.367 1.00 46.89 A C\nATOM 1373 O GLY A 874 35.565 31.640 5.303 1.00 38.65 A O\nATOM 1374 N LYS A 875 33.707 32.283 6.417 1.00 40.97 A N\nATOM 1375 CA LYS A 875 33.971 31.414 7.573 1.00 44.70 A C\nATOM 1376 C LYS A 875 32.851 30.407 7.758 1.00 45.71 A C\nATOM 1377 O LYS A 875 31.728 30.605 7.264 1.00 42.27 A O\nATOM 1378 CB LYS A 875 34.153 32.227 8.861 1.00 57.63 A C\nATOM 1379 CG LYS A 875 35.303 33.225 8.833 1.00 64.74 A C\nATOM 1380 CD LYS A 875 36.627 32.601 9.255 1.00 68.35 A C\nATOM 1381 CE LYS A 875 37.710 33.669 9.334 1.00 73.60 A C\nATOM 1382 NZ LYS A 875 38.878 33.251 10.159 1.00 70.79 A N\nATOM 1383 N VAL A 876 33.178 29.320 8.449 1.00 41.20 A N\nATOM 1384 CA VAL A 876 32.211 28.241 8.736 1.00 40.30 A C\nATOM 1385 C VAL A 876 32.294 27.905 10.232 1.00 36.00 A C\nATOM 1386 O VAL A 876 33.310 28.204 10.880 1.00 41.42 A O\nATOM 1387 CB VAL A 876 32.448 26.993 7.845 1.00 35.33 A C\nATOM 1388 CG1 VAL A 876 31.864 27.218 6.452 1.00 38.11 A C\nATOM 1389 CG2 VAL A 876 33.937 26.669 7.743 1.00 40.25 A C\nATOM 1390 N PRO A 877 31.232 27.304 10.788 1.00 36.65 A N\nATOM 1391 CA PRO A 877 31.168 27.085 12.243 1.00 32.43 A C\nATOM 1392 C PRO A 877 31.989 25.871 12.669 1.00 33.61 A C\nATOM 1393 O PRO A 877 31.446 24.822 12.981 1.00 29.15 A O\nATOM 1394 CB PRO A 877 29.664 26.864 12.491 1.00 35.69 A C\nATOM 1395 CG PRO A 877 29.144 26.302 11.211 1.00 33.67 A C\nATOM 1396 CD PRO A 877 29.979 26.910 10.106 1.00 41.66 A C\nATOM 1397 N ILE A 878 33.310 26.025 12.729 1.00 27.90 A N\nATOM 1398 CA ILE A 878 34.195 24.889 12.915 1.00 32.46 A C\nATOM 1399 C ILE A 878 33.910 24.020 14.142 1.00 28.85 A C\nATOM 1400 O ILE A 878 34.082 22.801 14.086 1.00 28.98 A O\nATOM 1401 CB ILE A 878 35.683 25.345 12.980 1.00 32.09 A C\nATOM 1402 CG1 ILE A 878 36.148 25.881 11.621 1.00 36.30 A C\nATOM 1403 CG2 ILE A 878 36.569 24.207 13.469 1.00 32.69 A C\nATOM 1404 CD1 ILE A 878 36.435 24.842 10.543 1.00 39.95 A C\nATOM 1405 N LYS A 879 33.533 24.645 15.259 1.00 29.60 A N\nATOM 1406 CA LYS A 879 33.367 23.911 16.510 1.00 26.22 A C\nATOM 1407 C LYS A 879 32.094 23.034 16.526 1.00 24.84 A C\nATOM 1408 O LYS A 879 31.891 22.260 17.448 1.00 28.78 A O\nATOM 1409 CB LYS A 879 33.430 24.858 17.716 1.00 28.83 A C\nATOM 1410 CG LYS A 879 34.842 25.401 17.951 1.00 38.19 A C\nATOM 1411 CD LYS A 879 34.830 26.562 18.934 1.00 40.19 A C\nATOM 1412 CE LYS A 879 36.246 27.029 19.228 1.00 32.84 A C\nATOM 1413 NZ LYS A 879 36.263 28.136 20.240 1.00 34.70 A N\nATOM 1414 N TRP A 880 31.280 23.157 15.489 1.00 24.85 A N\nATOM 1415 CA TRP A 880 30.110 22.292 15.307 1.00 31.64 A C\nATOM 1416 C TRP A 880 30.306 21.259 14.183 1.00 30.59 A C\nATOM 1417 O TRP A 880 29.457 20.390 13.978 1.00 34.02 A O\nATOM 1418 CB TRP A 880 28.878 23.149 15.031 1.00 27.14 A C\nATOM 1419 CG TRP A 880 28.339 23.795 16.290 1.00 28.73 A C\nATOM 1420 CD1 TRP A 880 27.276 23.367 17.051 1.00 28.66 A C\nATOM 1421 CD2 TRP A 880 28.859 24.962 16.945 1.00 31.97 A C\nATOM 1422 NE1 TRP A 880 27.115 24.199 18.138 1.00 28.60 A N\nATOM 1423 CE2 TRP A 880 28.064 25.190 18.091 1.00 30.62 A C\nATOM 1424 CE3 TRP A 880 29.917 25.850 16.662 1.00 31.59 A C\nATOM 1425 CZ2 TRP A 880 28.291 26.276 18.965 1.00 31.23 A C\nATOM 1426 CZ3 TRP A 880 30.154 26.923 17.542 1.00 30.88 A C\nATOM 1427 CH2 TRP A 880 29.358 27.112 18.676 1.00 25.65 A C\nATOM 1428 N MET A 881 31.427 21.349 13.460 1.00 27.44 A N\nATOM 1429 CA MET A 881 31.540 20.623 12.193 1.00 26.86 A C\nATOM 1430 C MET A 881 32.150 19.249 12.353 1.00 28.50 A C\nATOM 1431 O MET A 881 33.062 19.068 13.159 1.00 28.72 A O\nATOM 1432 CB MET A 881 32.326 21.432 11.154 1.00 29.39 A C\nATOM 1433 CG MET A 881 31.563 22.600 10.554 1.00 32.10 A C\nATOM 1434 SD MET A 881 32.705 23.710 9.728 1.00 36.98 A S\nATOM 1435 CE MET A 881 33.274 22.696 8.370 1.00 32.20 A C\nATOM 1436 N ALA A 882 31.666 18.280 11.573 1.00 27.59 A N\nATOM 1437 CA ALA A 882 32.274 16.941 11.583 1.00 23.42 A C\nATOM 1438 C ALA A 882 33.701 17.054 11.025 1.00 26.24 A C\nATOM 1439 O ALA A 882 33.983 17.914 10.193 1.00 25.83 A O\nATOM 1440 CB ALA A 882 31.483 15.966 10.710 1.00 21.36 A C\nATOM 1441 N LEU A 883 34.575 16.153 11.432 1.00 29.23 A N\nATOM 1442 CA LEU A 883 35.973 16.210 10.953 1.00 30.11 A C\nATOM 1443 C LEU A 883 36.095 16.155 9.415 1.00 31.93 A C\nATOM 1444 O LEU A 883 36.886 16.913 8.820 1.00 28.83 A O\nATOM 1445 CB LEU A 883 36.804 15.101 11.603 1.00 29.10 A C\nATOM 1446 CG LEU A 883 38.327 15.214 11.398 1.00 28.93 A C\nATOM 1447 CD1 LEU A 883 38.797 16.632 11.665 1.00 33.97 A C\nATOM 1448 CD2 LEU A 883 39.017 14.211 12.293 1.00 29.31 A C\nATOM 1449 N GLU A 884 35.311 15.288 8.761 1.00 21.95 A N\nATOM 1450 CA GLU A 884 35.344 15.209 7.296 1.00 22.92 A C\nATOM 1451 C GLU A 884 34.876 16.508 6.591 1.00 26.17 A C\nATOM 1452 O GLU A 884 35.268 16.778 5.447 1.00 24.35 A O\nATOM 1453 CB GLU A 884 34.646 13.943 6.753 1.00 26.86 A C\nATOM 1454 CG GLU A 884 33.105 13.951 6.895 1.00 27.94 A C\nATOM 1455 CD GLU A 884 32.564 13.567 8.273 1.00 29.05 A C\nATOM 1456 OE1 GLU A 884 33.301 13.408 9.265 1.00 25.06 A O\nATOM 1457 OE2 GLU A 884 31.319 13.447 8.409 1.00 23.90 A O\nATOM 1458 N SER A 885 34.033 17.294 7.263 1.00 30.81 A N\nATOM 1459 CA SER A 885 33.587 18.585 6.721 1.00 25.73 A C\nATOM 1460 C SER A 885 34.723 19.608 6.802 1.00 27.51 A C\nATOM 1461 O SER A 885 34.939 20.392 5.877 1.00 29.16 A O\nATOM 1462 CB SER A 885 32.382 19.102 7.520 1.00 26.41 A C\nATOM 1463 OG SER A 885 31.330 18.146 7.461 1.00 29.44 A O\nATOM 1464 N ILE A 886 35.414 19.578 7.929 1.00 25.32 A N\nATOM 1465 CA ILE A 886 36.574 20.454 8.176 1.00 30.05 A C\nATOM 1466 C ILE A 886 37.659 20.144 7.152 1.00 30.18 A C\nATOM 1467 O ILE A 886 38.150 21.055 6.475 1.00 32.84 A O\nATOM 1468 CB ILE A 886 37.110 20.303 9.615 1.00 36.22 A C\nATOM 1469 CG1 ILE A 886 36.049 20.780 10.634 1.00 31.72 A C\nATOM 1470 CG2 ILE A 886 38.400 21.107 9.804 1.00 32.89 A C\nATOM 1471 CD1 ILE A 886 36.393 20.470 12.086 1.00 30.73 A C\nATOM 1472 N LEU A 887 37.993 18.853 6.989 1.00 31.51 A N\nATOM 1473 CA LEU A 887 39.125 18.443 6.148 1.00 34.19 A C\nATOM 1474 C LEU A 887 38.849 18.409 4.655 1.00 36.04 A C\nATOM 1475 O LEU A 887 39.732 18.687 3.891 1.00 26.34 A O\nATOM 1476 CB LEU A 887 39.729 17.097 6.600 1.00 30.53 A C\nATOM 1477 CG LEU A 887 40.150 17.042 8.077 1.00 39.64 A C\nATOM 1478 CD1 LEU A 887 40.469 15.608 8.488 1.00 38.89 A C\nATOM 1479 CD2 LEU A 887 41.336 17.967 8.366 1.00 35.87 A C\nATOM 1480 N HIS A 888 37.628 18.086 4.233 1.00 26.10 A N\nATOM 1481 CA HIS A 888 37.369 17.835 2.818 1.00 24.98 A C\nATOM 1482 C HIS A 888 36.058 18.409 2.302 1.00 28.24 A C\nATOM 1483 O HIS A 888 35.654 18.072 1.186 1.00 27.84 A O\nATOM 1484 CB HIS A 888 37.363 16.319 2.542 1.00 29.19 A C\nATOM 1485 CG HIS A 888 38.705 15.681 2.728 1.00 31.15 A C\nATOM 1486 ND1 HIS A 888 39.739 15.857 1.835 1.00 34.56 A N\nATOM 1487 CD2 HIS A 888 39.188 14.892 3.718 1.00 31.38 A C\nATOM 1488 CE1 HIS A 888 40.807 15.208 2.270 1.00 34.69 A C\nATOM 1489 NE2 HIS A 888 40.496 14.601 3.401 1.00 35.08 A N\nATOM 1490 N ARG A 889 35.422 19.255 3.114 1.00 25.02 A N\nATOM 1491 CA ARG A 889 34.179 19.942 2.731 1.00 32.39 A C\nATOM 1492 C ARG A 889 33.118 18.923 2.370 1.00 26.78 A C\nATOM 1493 O ARG A 889 32.276 19.159 1.484 1.00 29.23 A O\nATOM 1494 CB ARG A 889 34.429 20.930 1.578 1.00 31.37 A C\nATOM 1495 CG ARG A 889 35.516 21.943 1.891 1.00 33.25 A C\nATOM 1496 CD ARG A 889 35.608 22.980 0.779 1.00 39.11 A C\nATOM 1497 NE ARG A 889 36.544 24.044 1.105 1.00 37.65 A N\nATOM 1498 CZ ARG A 889 37.701 24.266 0.468 1.00 46.93 A C\nATOM 1499 NH1 ARG A 889 38.074 23.526 -0.570 1.00 38.03 A N\nATOM 1500 NH2 ARG A 889 38.476 25.267 0.846 1.00 40.00 A N\nATOM 1501 N ILE A 890 33.175 17.774 3.039 1.00 26.13 A N\nATOM 1502 CA ILE A 890 32.145 16.730 2.876 1.00 29.66 A C\nATOM 1503 C ILE A 890 31.018 17.016 3.855 1.00 26.43 A C\nATOM 1504 O ILE A 890 31.245 17.066 5.063 1.00 26.43 A O\nATOM 1505 CB ILE A 890 32.701 15.296 3.144 1.00 29.59 A C\nATOM 1506 CG1 ILE A 890 33.716 14.901 2.071 1.00 34.56 A C\nATOM 1507 CG2 ILE A 890 31.564 14.262 3.147 1.00 26.41 A C\nATOM 1508 CD1 ILE A 890 34.686 13.798 2.502 1.00 27.38 A C\nATOM 1509 N TYR A 891 29.787 17.135 3.328 1.00 27.40 A N\nATOM 1510 CA TYR A 891 28.606 17.370 4.144 1.00 29.79 A C\nATOM 1511 C TYR A 891 27.537 16.381 3.726 1.00 26.49 A C\nATOM 1512 O TYR A 891 27.188 16.314 2.550 1.00 29.21 A O\nATOM 1513 CB TYR A 891 28.046 18.756 3.884 1.00 31.16 A C\nATOM 1514 CG TYR A 891 28.844 19.897 4.436 1.00 32.59 A C\nATOM 1515 CD1 TYR A 891 28.639 20.341 5.751 1.00 30.54 A C\nATOM 1516 CD2 TYR A 891 29.797 20.548 3.648 1.00 32.80 A C\nATOM 1517 CE1 TYR A 891 29.363 21.411 6.254 1.00 37.58 A C\nATOM 1518 CE2 TYR A 891 30.514 21.623 4.141 1.00 34.48 A C\nATOM 1519 CZ TYR A 891 30.291 22.043 5.443 1.00 35.46 A C\nATOM 1520 OH TYR A 891 30.976 23.117 5.945 1.00 42.40 A O\nATOM 1521 N THR A 892 27.092 15.591 4.699 1.00 27.14 A N\nATOM 1522 CA THR A 892 26.052 14.573 4.503 1.00 28.00 A C\nATOM 1523 C THR A 892 25.132 14.670 5.688 1.00 24.99 A C\nATOM 1524 O THR A 892 25.394 15.437 6.647 1.00 24.52 A O\nATOM 1525 CB THR A 892 26.656 13.161 4.529 1.00 24.93 A C\nATOM 1526 OG1 THR A 892 27.152 12.906 5.842 1.00 26.37 A O\nATOM 1527 CG2 THR A 892 27.808 13.012 3.492 1.00 29.56 A C\nATOM 1528 N HIS A 893 24.060 13.868 5.664 1.00 26.44 A N\nATOM 1529 CA HIS A 893 23.230 13.753 6.839 1.00 29.70 A C\nATOM 1530 C HIS A 893 23.987 13.219 8.061 1.00 24.12 A C\nATOM 1531 O HIS A 893 23.680 13.585 9.197 1.00 22.63 A O\nATOM 1532 CB HIS A 893 21.929 12.993 6.484 1.00 25.97 A C\nATOM 1533 CG HIS A 893 21.172 13.679 5.386 1.00 27.52 A C\nATOM 1534 ND1 HIS A 893 20.529 14.883 5.575 1.00 28.59 A N\nATOM 1535 CD2 HIS A 893 21.051 13.390 4.069 1.00 28.83 A C\nATOM 1536 CE1 HIS A 893 20.035 15.299 4.425 1.00 27.39 A C\nATOM 1537 NE2 HIS A 893 20.298 14.394 3.505 1.00 32.49 A N\nATOM 1538 N GLN A 894 25.059 12.470 7.828 1.00 26.66 A N\nATOM 1539 CA GLN A 894 25.919 11.997 8.926 1.00 29.47 A C\nATOM 1540 C GLN A 894 26.906 13.056 9.499 1.00 26.86 A C\nATOM 1541 O GLN A 894 27.298 12.991 10.667 1.00 22.97 A O\nATOM 1542 CB GLN A 894 26.654 10.708 8.491 1.00 27.17 A C\nATOM 1543 CG GLN A 894 25.705 9.525 8.192 1.00 24.91 A C\nATOM 1544 CD GLN A 894 24.783 9.234 9.369 1.00 30.07 A C\nATOM 1545 OE1 GLN A 894 23.581 9.588 9.349 1.00 27.00 A O\nATOM 1546 NE2 GLN A 894 25.334 8.605 10.418 1.00 27.72 A N\nATOM 1547 N SER A 895 27.288 14.034 8.695 1.00 24.14 A N\nATOM 1548 CA SER A 895 27.927 15.211 9.257 1.00 27.27 A C\nATOM 1549 C SER A 895 26.958 16.056 10.075 1.00 27.74 A C\nATOM 1550 O SER A 895 27.372 16.618 11.077 1.00 25.43 A O\nATOM 1551 CB SER A 895 28.699 16.026 8.208 1.00 31.60 A C\nATOM 1552 OG SER A 895 27.862 16.621 7.234 1.00 25.89 A O\nATOM 1553 N ASP A 896 25.672 16.123 9.675 1.00 26.73 A N\nATOM 1554 CA ASP A 896 24.643 16.770 10.518 1.00 24.53 A C\nATOM 1555 C ASP A 896 24.481 16.058 11.860 1.00 20.29 A C\nATOM 1556 O ASP A 896 24.275 16.687 12.887 1.00 22.46 A O\nATOM 1557 CB ASP A 896 23.246 16.817 9.833 1.00 28.43 A C\nATOM 1558 CG ASP A 896 23.121 17.900 8.737 1.00 31.24 A C\nATOM 1559 OD1 ASP A 896 22.115 17.834 7.982 1.00 27.91 A O\nATOM 1560 OD2 ASP A 896 23.997 18.781 8.573 1.00 26.34 A O\nATOM 1561 N VAL A 897 24.598 14.736 11.846 1.00 20.23 A N\nATOM 1562 CA VAL A 897 24.610 13.991 13.102 1.00 19.28 A C\nATOM 1563 C VAL A 897 25.629 14.450 14.120 1.00 25.81 A C\nATOM 1564 O VAL A 897 25.320 14.560 15.295 1.00 22.78 A O\nATOM 1565 CB VAL A 897 24.658 12.448 12.868 1.00 19.54 A C\nATOM 1566 CG1 VAL A 897 24.843 11.704 14.183 1.00 19.88 A C\nATOM 1567 CG2 VAL A 897 23.325 11.945 12.233 1.00 24.43 A C\nATOM 1568 N TRP A 898 26.864 14.693 13.659 1.00 21.20 A N\nATOM 1569 CA TRP A 898 27.927 15.223 14.521 1.00 24.82 A C\nATOM 1570 C TRP A 898 27.505 16.541 15.151 1.00 23.28 A C\nATOM 1571 O TRP A 898 27.615 16.712 16.379 1.00 21.81 A O\nATOM 1572 CB TRP A 898 29.205 15.401 13.666 1.00 22.74 A C\nATOM 1573 CG TRP A 898 30.380 15.970 14.398 1.00 20.42 A C\nATOM 1574 CD1 TRP A 898 30.466 17.185 15.058 1.00 24.29 A C\nATOM 1575 CD2 TRP A 898 31.674 15.336 14.558 1.00 24.05 A C\nATOM 1576 NE1 TRP A 898 31.757 17.336 15.607 1.00 23.39 A N\nATOM 1577 CE2 TRP A 898 32.494 16.220 15.304 1.00 23.70 A C\nATOM 1578 CE3 TRP A 898 32.210 14.127 14.116 1.00 26.61 A C\nATOM 1579 CZ2 TRP A 898 33.837 15.910 15.635 1.00 27.97 A C\nATOM 1580 CZ3 TRP A 898 33.568 13.828 14.425 1.00 27.65 A C\nATOM 1581 CH2 TRP A 898 34.333 14.704 15.185 1.00 26.29 A C\nATOM 1582 N SER A 899 26.971 17.444 14.316 1.00 21.82 A N\nATOM 1583 CA SER A 899 26.558 18.772 14.763 1.00 21.42 A C\nATOM 1584 C SER A 899 25.369 18.645 15.715 1.00 24.08 A C\nATOM 1585 O SER A 899 25.228 19.457 16.652 1.00 23.02 A O\nATOM 1586 CB SER A 899 26.142 19.636 13.571 1.00 22.79 A C\nATOM 1587 OG SER A 899 27.196 19.709 12.622 1.00 29.32 A O\nATOM 1588 N TYR A 900 24.551 17.615 15.484 1.00 24.08 A N\nATOM 1589 CA TYR A 900 23.474 17.266 16.443 1.00 22.45 A C\nATOM 1590 C TYR A 900 24.039 16.904 17.797 1.00 24.83 A C\nATOM 1591 O TYR A 900 23.514 17.330 18.811 1.00 22.80 A O\nATOM 1592 CB TYR A 900 22.565 16.129 15.923 1.00 26.91 A C\nATOM 1593 CG TYR A 900 21.483 15.683 16.918 1.00 24.64 A C\nATOM 1594 CD1 TYR A 900 21.709 14.629 17.818 1.00 24.58 A C\nATOM 1595 CD2 TYR A 900 20.207 16.282 16.921 1.00 29.41 A C\nATOM 1596 CE1 TYR A 900 20.714 14.188 18.692 1.00 30.37 A C\nATOM 1597 CE2 TYR A 900 19.220 15.867 17.813 1.00 25.82 A C\nATOM 1598 CZ TYR A 900 19.472 14.819 18.694 1.00 30.20 A C\nATOM 1599 OH TYR A 900 18.495 14.386 19.571 1.00 29.23 A O\nATOM 1600 N GLY A 901 25.144 16.142 17.822 1.00 25.68 A N\nATOM 1601 CA GLY A 901 25.756 15.748 19.096 1.00 23.98 A C\nATOM 1602 C GLY A 901 26.223 17.007 19.827 1.00 24.33 A C\nATOM 1603 O GLY A 901 26.101 17.084 21.035 1.00 23.86 A O\nATOM 1604 N VAL A 902 26.818 17.960 19.086 1.00 25.05 A N\nATOM 1605 CA VAL A 902 27.315 19.214 19.683 1.00 21.83 A C\nATOM 1606 C VAL A 902 26.114 20.019 20.243 1.00 24.08 A C\nATOM 1607 O VAL A 902 26.152 20.532 21.345 1.00 26.25 A O\nATOM 1608 CB VAL A 902 28.167 20.062 18.704 1.00 24.89 A C\nATOM 1609 CG1 VAL A 902 28.771 21.289 19.420 1.00 26.81 A C\nATOM 1610 CG2 VAL A 902 29.308 19.223 18.111 1.00 22.20 A C\nATOM 1611 N THR A 903 25.058 20.097 19.457 1.00 23.91 A N\nATOM 1612 CA THR A 903 23.826 20.789 19.902 1.00 24.59 A C\nATOM 1613 C THR A 903 23.306 20.220 21.235 1.00 20.47 A C\nATOM 1614 O THR A 903 23.031 20.953 22.193 1.00 23.36 A O\nATOM 1615 CB THR A 903 22.761 20.724 18.787 1.00 22.55 A C\nATOM 1616 OG1 THR A 903 23.273 21.268 17.569 1.00 24.10 A O\nATOM 1617 CG2 THR A 903 21.429 21.492 19.168 1.00 24.23 A C\nATOM 1618 N VAL A 904 23.170 18.901 21.300 1.00 22.65 A N\nATOM 1619 CA VAL A 904 22.729 18.231 22.517 1.00 24.32 A C\nATOM 1620 C VAL A 904 23.639 18.562 23.686 1.00 29.53 A C\nATOM 1621 O VAL A 904 23.174 18.813 24.780 1.00 25.51 A O\nATOM 1622 CB VAL A 904 22.614 16.698 22.303 1.00 26.14 A C\nATOM 1623 CG1 VAL A 904 22.367 15.967 23.621 1.00 32.14 A C\nATOM 1624 CG2 VAL A 904 21.469 16.388 21.352 1.00 29.78 A C\nATOM 1625 N TRP A 905 24.951 18.547 23.442 1.00 25.37 A N\nATOM 1626 CA TRP A 905 25.909 18.952 24.450 1.00 26.02 A C\nATOM 1627 C TRP A 905 25.618 20.397 24.929 1.00 25.24 A C\nATOM 1628 O TRP A 905 25.647 20.692 26.122 1.00 25.58 A O\nATOM 1629 CB TRP A 905 27.344 18.846 23.879 1.00 27.12 A C\nATOM 1630 CG TRP A 905 28.457 19.135 24.901 1.00 29.75 A C\nATOM 1631 CD1 TRP A 905 29.071 18.227 25.727 1.00 29.86 A C\nATOM 1632 CD2 TRP A 905 29.059 20.406 25.194 1.00 29.09 A C\nATOM 1633 NE1 TRP A 905 30.016 18.857 26.518 1.00 27.53 A N\nATOM 1634 CE2 TRP A 905 30.038 20.187 26.202 1.00 31.67 A C\nATOM 1635 CE3 TRP A 905 28.896 21.705 24.680 1.00 29.99 A C\nATOM 1636 CZ2 TRP A 905 30.822 21.226 26.732 1.00 31.76 A C\nATOM 1637 CZ3 TRP A 905 29.670 22.739 25.211 1.00 29.19 A C\nATOM 1638 CH2 TRP A 905 30.632 22.487 26.218 1.00 31.16 A C\nATOM 1639 N GLU A 906 25.375 21.300 23.992 1.00 23.57 A N\nATOM 1640 CA GLU A 906 25.081 22.673 24.361 1.00 26.68 A C\nATOM 1641 C GLU A 906 23.849 22.707 25.272 1.00 29.46 A C\nATOM 1642 O GLU A 906 23.811 23.439 26.244 1.00 30.72 A O\nATOM 1643 CB GLU A 906 24.731 23.494 23.126 1.00 29.21 A C\nATOM 1644 CG GLU A 906 25.885 23.793 22.205 1.00 26.76 A C\nATOM 1645 CD GLU A 906 25.419 24.646 21.045 1.00 26.29 A C\nATOM 1646 OE1 GLU A 906 25.522 25.884 21.177 1.00 28.98 A O\nATOM 1647 OE2 GLU A 906 24.934 24.103 20.035 1.00 28.76 A O\nATOM 1648 N LEU A 907 22.852 21.897 24.946 1.00 28.88 A N\nATOM 1649 CA LEU A 907 21.629 21.859 25.737 1.00 31.17 A C\nATOM 1650 C LEU A 907 21.876 21.375 27.176 1.00 30.41 A C\nATOM 1651 O LEU A 907 21.476 22.031 28.157 1.00 31.35 A O\nATOM 1652 CB LEU A 907 20.588 20.965 25.036 1.00 30.07 A C\nATOM 1653 CG LEU A 907 20.073 21.493 23.692 1.00 29.46 A C\nATOM 1654 CD1 LEU A 907 18.881 20.670 23.250 1.00 32.66 A C\nATOM 1655 CD2 LEU A 907 19.698 22.976 23.760 1.00 30.38 A C\nATOM 1656 N MET A 908 22.572 20.248 27.280 1.00 33.26 A N\nATOM 1657 CA MET A 908 22.815 19.567 28.555 1.00 33.03 A C\nATOM 1658 C MET A 908 23.776 20.319 29.480 1.00 33.19 A C\nATOM 1659 O MET A 908 23.833 20.034 30.667 1.00 32.50 A O\nATOM 1660 CB MET A 908 23.378 18.162 28.308 1.00 29.57 A C\nATOM 1661 CG MET A 908 22.499 17.227 27.502 1.00 31.43 A C\nATOM 1662 SD MET A 908 20.915 16.950 28.305 1.00 38.14 A S\nATOM 1663 CE MET A 908 19.955 16.171 26.994 1.00 35.57 A C\nATOM 1664 N THR A 909 24.529 21.266 28.926 1.00 34.84 A N\nATOM 1665 CA THR A 909 25.422 22.110 29.715 1.00 31.46 A C\nATOM 1666 C THR A 909 24.758 23.462 29.973 1.00 35.43 A C\nATOM 1667 O THR A 909 25.369 24.375 30.533 1.00 33.37 A O\nATOM 1668 CB THR A 909 26.755 22.383 28.990 1.00 30.17 A C\nATOM 1669 OG1 THR A 909 26.503 23.074 27.759 1.00 32.39 A O\nATOM 1670 CG2 THR A 909 27.548 21.085 28.733 1.00 34.41 A C\nATOM 1671 N PHE A 910 23.507 23.580 29.542 1.00 32.72 A N\nATOM 1672 CA PHE A 910 22.753 24.834 29.661 1.00 39.49 A C\nATOM 1673 C PHE A 910 23.452 25.975 28.916 1.00 37.32 A C\nATOM 1674 O PHE A 910 23.512 27.121 29.379 1.00 34.56 A O\nATOM 1675 CB PHE A 910 22.465 25.145 31.144 1.00 38.60 A C\nATOM 1676 CG PHE A 910 21.737 24.031 31.852 1.00 35.82 A C\nATOM 1677 CD1 PHE A 910 20.360 23.874 31.695 1.00 42.92 A C\nATOM 1678 CD2 PHE A 910 22.424 23.129 32.671 1.00 39.39 A C\nATOM 1679 CE1 PHE A 910 19.684 22.843 32.335 1.00 38.58 A C\nATOM 1680 CE2 PHE A 910 21.751 22.095 33.320 1.00 38.85 A C\nATOM 1681 CZ PHE A 910 20.377 21.960 33.156 1.00 39.25 A C\nATOM 1682 N GLY A 911 23.972 25.646 27.741 1.00 30.24 A N\nATOM 1683 CA GLY A 911 24.480 26.659 26.818 1.00 30.44 A C\nATOM 1684 C GLY A 911 25.938 27.038 26.976 1.00 31.34 A C\nATOM 1685 O GLY A 911 26.322 28.160 26.631 1.00 31.20 A O\nATOM 1686 N SER A 912 26.761 26.109 27.461 1.00 34.43 A N\nATOM 1687 CA SER A 912 28.216 26.310 27.408 1.00 32.44 A C\nATOM 1688 C SER A 912 28.744 26.398 25.977 1.00 30.35 A C\nATOM 1689 O SER A 912 28.186 25.815 25.051 1.00 29.13 A O\nATOM 1690 CB SER A 912 28.963 25.201 28.160 1.00 37.09 A C\nATOM 1691 OG SER A 912 28.615 25.224 29.524 1.00 37.39 A O\nATOM 1692 N LYS A 913 29.864 27.105 25.822 1.00 34.33 A N\nATOM 1693 CA LYS A 913 30.544 27.258 24.535 1.00 36.05 A C\nATOM 1694 C LYS A 913 31.469 26.073 24.282 1.00 36.45 A C\nATOM 1695 O LYS A 913 32.367 25.819 25.085 1.00 32.75 A O\nATOM 1696 CB LYS A 913 31.374 28.541 24.538 1.00 37.89 A C\nATOM 1697 CG LYS A 913 30.549 29.809 24.490 1.00 41.62 A C\nATOM 1698 CD LYS A 913 31.439 31.046 24.591 1.00 54.77 A C\nATOM 1699 CE LYS A 913 32.281 31.258 23.338 1.00 63.20 A C\nATOM 1700 NZ LYS A 913 33.156 32.457 23.448 1.00 79.59 A N\nATOM 1701 N PRO A 914 31.254 25.337 23.175 1.00 34.16 A N\nATOM 1702 CA PRO A 914 32.058 24.118 22.968 1.00 29.10 A C\nATOM 1703 C PRO A 914 33.536 24.481 22.719 1.00 34.77 A C\nATOM 1704 O PRO A 914 33.814 25.439 21.996 1.00 33.33 A O\nATOM 1705 CB PRO A 914 31.411 23.481 21.733 1.00 33.91 A C\nATOM 1706 CG PRO A 914 30.778 24.614 21.005 1.00 34.78 A C\nATOM 1707 CD PRO A 914 30.298 25.560 22.076 1.00 32.97 A C\nATOM 1708 N TYR A 915 34.458 23.737 23.325 1.00 33.25 A N\nATOM 1709 CA TYR A 915 35.895 23.998 23.177 1.00 33.85 A C\nATOM 1710 C TYR A 915 36.207 25.471 23.468 1.00 39.64 A C\nATOM 1711 O TYR A 915 36.948 26.117 22.718 1.00 45.53 A O\nATOM 1712 CB TYR A 915 36.364 23.665 21.764 1.00 33.52 A C\nATOM 1713 CG TYR A 915 35.818 22.388 21.190 1.00 29.32 A C\nATOM 1714 CD1 TYR A 915 36.385 21.162 21.511 1.00 32.58 A C\nATOM 1715 CD2 TYR A 915 34.742 22.417 20.307 1.00 36.08 A C\nATOM 1716 CE1 TYR A 915 35.888 19.981 20.977 1.00 33.76 A C\nATOM 1717 CE2 TYR A 915 34.231 21.250 19.767 1.00 31.31 A C\nATOM 1718 CZ TYR A 915 34.802 20.038 20.107 1.00 30.34 A C\nATOM 1719 OH TYR A 915 34.315 18.876 19.539 1.00 36.05 A O\nATOM 1720 N ASP A 916 35.618 25.991 24.543 1.00 43.33 A N\nATOM 1721 CA ASP A 916 35.768 27.396 24.940 1.00 48.23 A C\nATOM 1722 C ASP A 916 37.254 27.719 25.124 1.00 48.30 A C\nATOM 1723 O ASP A 916 37.983 26.961 25.774 1.00 46.71 A O\nATOM 1724 CB ASP A 916 34.988 27.650 26.242 1.00 52.14 A C\nATOM 1725 CG ASP A 916 34.922 29.136 26.628 1.00 54.58 A C\nATOM 1726 OD1 ASP A 916 34.708 29.421 27.821 1.00 60.52 A O\nATOM 1727 OD2 ASP A 916 35.064 30.008 25.751 1.00 47.27 A O\nATOM 1728 N GLY A 917 37.697 28.813 24.511 1.00 56.46 A N\nATOM 1729 CA GLY A 917 39.085 29.258 24.635 1.00 76.19 A C\nATOM 1730 C GLY A 917 40.035 28.671 23.604 1.00 72.63 A C\nATOM 1731 O GLY A 917 41.021 29.316 23.238 1.00 63.76 A O\nATOM 1732 N ILE A 918 39.738 27.452 23.143 1.00 63.90 A N\nATOM 1733 CA ILE A 918 40.529 26.764 22.114 1.00 49.40 A C\nATOM 1734 C ILE A 918 40.345 27.411 20.732 1.00 55.67 A C\nATOM 1735 O ILE A 918 39.215 27.569 20.259 1.00 53.67 A O\nATOM 1736 CB ILE A 918 40.247 25.246 22.089 1.00 58.39 A C\nATOM 1737 CG1 ILE A 918 40.788 24.592 23.362 1.00 67.71 A C\nATOM 1738 CG2 ILE A 918 40.855 24.585 20.856 1.00 49.74 A C\nATOM 1739 CD1 ILE A 918 40.277 23.185 23.600 1.00 83.95 A C\nATOM 1740 N PRO A 919 41.465 27.809 20.091 1.00 55.34 A N\nATOM 1741 CA PRO A 919 41.367 28.478 18.797 1.00 51.65 A C\nATOM 1742 C PRO A 919 40.839 27.524 17.737 1.00 46.00 A C\nATOM 1743 O PRO A 919 41.228 26.335 17.700 1.00 36.86 A O\nATOM 1744 CB PRO A 919 42.817 28.854 18.466 1.00 48.91 A C\nATOM 1745 CG PRO A 919 43.602 28.650 19.726 1.00 59.54 A C\nATOM 1746 CD PRO A 919 42.867 27.590 20.494 1.00 61.20 A C\nATOM 1747 N ALA A 920 39.982 28.055 16.877 1.00 42.96 A N\nATOM 1748 CA ALA A 920 39.380 27.267 15.795 1.00 53.07 A C\nATOM 1749 C ALA A 920 40.428 26.554 14.926 1.00 52.49 A C\nATOM 1750 O ALA A 920 40.200 25.430 14.477 1.00 39.45 A O\nATOM 1751 CB ALA A 920 38.482 28.136 14.939 1.00 41.74 A C\nATOM 1752 N SER A 921 41.578 27.191 14.706 1.00 42.14 A N\nATOM 1753 CA SER A 921 42.638 26.564 13.918 1.00 38.91 A C\nATOM 1754 C SER A 921 43.218 25.280 14.535 1.00 41.47 A C\nATOM 1755 O SER A 921 43.852 24.491 13.834 1.00 45.17 A O\nATOM 1756 CB SER A 921 43.758 27.580 13.611 1.00 43.76 A C\nATOM 1757 OG SER A 921 44.498 27.894 14.783 1.00 45.49 A O\nATOM 1758 N GLU A 922 42.994 25.066 15.832 1.00 38.81 A N\nATOM 1759 CA GLU A 922 43.508 23.877 16.524 1.00 37.90 A C\nATOM 1760 C GLU A 922 42.483 22.741 16.610 1.00 32.89 A C\nATOM 1761 O GLU A 922 42.824 21.636 17.051 1.00 37.01 A O\nATOM 1762 CB GLU A 922 43.996 24.218 17.938 1.00 43.95 A C\nATOM 1763 CG GLU A 922 45.241 25.107 17.988 1.00 58.60 A C\nATOM 1764 CD GLU A 922 46.562 24.340 17.959 1.00 74.68 A C\nATOM 1765 OE1 GLU A 922 47.536 24.836 18.567 1.00 92.16 A O\nATOM 1766 OE2 GLU A 922 46.653 23.253 17.338 1.00 65.14 A O\nATOM 1767 N ILE A 923 41.253 22.998 16.186 1.00 36.85 A N\nATOM 1768 CA ILE A 923 40.183 21.993 16.380 1.00 30.58 A C\nATOM 1769 C ILE A 923 40.420 20.666 15.649 1.00 27.72 A C\nATOM 1770 O ILE A 923 40.283 19.600 16.258 1.00 32.41 A O\nATOM 1771 CB ILE A 923 38.766 22.575 16.099 1.00 36.31 A C\nATOM 1772 CG1 ILE A 923 38.369 23.629 17.159 1.00 35.07 A C\nATOM 1773 CG2 ILE A 923 37.725 21.455 16.020 1.00 31.73 A C\nATOM 1774 CD1 ILE A 923 38.250 23.123 18.592 1.00 32.22 A C\nATOM 1775 N SER A 924 40.756 20.704 14.355 1.00 28.13 A N\nATOM 1776 CA SER A 924 41.002 19.463 13.633 1.00 35.63 A C\nATOM 1777 C SER A 924 42.110 18.610 14.291 1.00 34.96 A C\nATOM 1778 O SER A 924 41.992 17.378 14.352 1.00 29.18 A O\nATOM 1779 CB SER A 924 41.305 19.725 12.150 1.00 39.13 A C\nATOM 1780 OG SER A 924 42.613 20.267 11.983 1.00 41.55 A O\nATOM 1781 N SER A 925 43.194 19.226 14.792 1.00 38.53 A N\nATOM 1782 CA SER A 925 44.236 18.385 15.393 1.00 37.45 A C\nATOM 1783 C SER A 925 43.771 17.767 16.716 1.00 35.21 A C\nATOM 1784 O SER A 925 44.032 16.602 16.994 1.00 33.66 A O\nATOM 1785 CB SER A 925 45.579 19.125 15.558 1.00 47.26 A C\nATOM 1786 OG SER A 925 45.435 20.233 16.416 1.00 54.50 A O\nATOM 1787 N ILE A 926 43.029 18.547 17.497 1.00 35.17 A N\nATOM 1788 CA ILE A 926 42.404 18.065 18.728 1.00 40.33 A C\nATOM 1789 C ILE A 926 41.474 16.855 18.453 1.00 34.53 A C\nATOM 1790 O ILE A 926 41.637 15.787 19.056 1.00 32.95 A O\nATOM 1791 CB ILE A 926 41.718 19.262 19.443 1.00 44.79 A C\nATOM 1792 CG1 ILE A 926 42.727 19.924 20.400 1.00 48.92 A C\nATOM 1793 CG2 ILE A 926 40.399 18.888 20.114 1.00 51.95 A C\nATOM 1794 CD1 ILE A 926 42.280 21.255 20.973 1.00 61.81 A C\nATOM 1795 N LEU A 927 40.532 17.007 17.520 1.00 37.12 A N\nATOM 1796 CA LEU A 927 39.655 15.893 17.106 1.00 32.43 A C\nATOM 1797 C LEU A 927 40.412 14.654 16.605 1.00 30.80 A C\nATOM 1798 O LEU A 927 40.043 13.515 16.922 1.00 31.95 A O\nATOM 1799 CB LEU A 927 38.673 16.349 16.012 1.00 30.99 A C\nATOM 1800 CG LEU A 927 37.709 17.440 16.463 1.00 32.53 A C\nATOM 1801 CD1 LEU A 927 36.815 17.889 15.312 1.00 33.89 A C\nATOM 1802 CD2 LEU A 927 36.891 16.918 17.625 1.00 30.69 A C\nATOM 1803 N GLU A 928 41.450 14.888 15.810 1.00 37.01 A N\nATOM 1804 CA GLU A 928 42.284 13.804 15.268 1.00 39.13 A C\nATOM 1805 C GLU A 928 43.002 13.019 16.360 1.00 41.39 A C\nATOM 1806 O GLU A 928 43.225 11.816 16.209 1.00 38.80 A O\nATOM 1807 CB GLU A 928 43.307 14.339 14.255 1.00 40.49 A C\nATOM 1808 CG GLU A 928 42.754 14.636 12.870 1.00 44.84 A C\nATOM 1809 CD GLU A 928 43.660 15.532 12.036 1.00 69.64 A C\nATOM 1810 OE1 GLU A 928 43.599 15.442 10.790 1.00 74.90 A O\nATOM 1811 OE2 GLU A 928 44.432 16.332 12.616 1.00 62.95 A O\nATOM 1812 N LYS A 929 43.370 13.694 17.448 1.00 40.90 A N\nATOM 1813 CA LYS A 929 44.002 13.020 18.591 1.00 41.80 A C\nATOM 1814 C LYS A 929 43.006 12.231 19.453 1.00 46.80 A C\nATOM 1815 O LYS A 929 43.398 11.536 20.394 1.00 44.25 A O\nATOM 1816 CB LYS A 929 44.758 14.025 19.459 1.00 50.08 A C\nATOM 1817 CG LYS A 929 45.966 14.663 18.770 1.00 40.31 A C\nATOM 1818 CD LYS A 929 46.644 15.696 19.666 1.00 67.33 A C\nATOM 1819 CE LYS A 929 47.436 15.043 20.796 1.00 79.96 A C\nATOM 1820 NZ LYS A 929 48.135 16.035 21.664 1.00 77.70 A N\nATOM 1821 N GLY A 930 41.721 12.345 19.125 1.00 37.47 A N\nATOM 1822 CA GLY A 930 40.652 11.633 19.840 1.00 39.43 A C\nATOM 1823 C GLY A 930 39.970 12.436 20.930 1.00 38.99 A C\nATOM 1824 O GLY A 930 39.110 11.903 21.646 1.00 41.30 A O\nATOM 1825 N GLU A 931 40.330 13.714 21.069 1.00 32.16 A N\nATOM 1826 CA GLU A 931 39.759 14.534 22.132 1.00 32.85 A C\nATOM 1827 C GLU A 931 38.329 14.954 21.745 1.00 28.27 A C\nATOM 1828 O GLU A 931 38.075 15.227 20.573 1.00 28.77 A O\nATOM 1829 CB GLU A 931 40.603 15.762 22.393 1.00 36.69 A C\nATOM 1830 CG GLU A 931 40.082 16.662 23.503 1.00 49.53 A C\nATOM 1831 CD GLU A 931 41.036 17.806 23.818 1.00 69.08 A C\nATOM 1832 OE1 GLU A 931 42.249 17.685 23.508 1.00 53.32 A O\nATOM 1833 OE2 GLU A 931 40.568 18.828 24.374 1.00 53.97 A O\nATOM 1834 N ARG A 932 37.436 14.994 22.732 1.00 32.01 A N\nATOM 1835 CA ARG A 932 35.995 15.304 22.490 1.00 28.11 A C\nATOM 1836 C ARG A 932 35.471 16.272 23.565 1.00 32.94 A C\nATOM 1837 O ARG A 932 36.145 16.500 24.574 1.00 32.49 A O\nATOM 1838 CB ARG A 932 35.184 14.002 22.501 1.00 26.86 A C\nATOM 1839 CG ARG A 932 35.365 13.048 21.316 1.00 27.27 A C\nATOM 1840 CD ARG A 932 35.153 13.715 19.958 1.00 27.89 A C\nATOM 1841 NE ARG A 932 35.303 12.791 18.844 1.00 28.64 A N\nATOM 1842 CZ ARG A 932 36.449 12.531 18.213 1.00 43.88 A C\nATOM 1843 NH1 ARG A 932 36.458 11.657 17.217 1.00 36.00 A N\nATOM 1844 NH2 ARG A 932 37.584 13.133 18.580 1.00 28.88 A N\nATOM 1845 N LEU A 933 34.284 16.855 23.361 1.00 28.49 A N\nATOM 1846 CA LEU A 933 33.643 17.646 24.416 1.00 26.44 A C\nATOM 1847 C LEU A 933 33.400 16.752 25.622 1.00 27.19 A C\nATOM 1848 O LEU A 933 33.077 15.575 25.443 1.00 32.58 A O\nATOM 1849 CB LEU A 933 32.311 18.241 23.907 1.00 29.48 A C\nATOM 1850 CG LEU A 933 32.510 19.274 22.790 1.00 28.80 A C\nATOM 1851 CD1 LEU A 933 31.191 19.477 22.015 1.00 25.49 A C\nATOM 1852 CD2 LEU A 933 33.058 20.587 23.368 1.00 24.54 A C\nATOM 1853 N PRO A 934 33.563 17.290 26.848 1.00 29.32 A N\nATOM 1854 CA PRO A 934 33.465 16.519 28.091 1.00 31.42 A C\nATOM 1855 C PRO A 934 32.034 16.165 28.451 1.00 31.97 A C\nATOM 1856 O PRO A 934 31.093 16.860 28.022 1.00 30.19 A O\nATOM 1857 CB PRO A 934 34.021 17.485 29.144 1.00 39.73 A C\nATOM 1858 CG PRO A 934 33.717 18.844 28.599 1.00 38.13 A C\nATOM 1859 CD PRO A 934 33.907 18.703 27.109 1.00 35.28 A C\nATOM 1860 N GLN A 935 31.885 15.115 29.245 1.00 30.53 A N\nATOM 1861 CA GLN A 935 30.573 14.712 29.766 1.00 29.08 A C\nATOM 1862 C GLN A 935 29.934 15.848 30.576 1.00 32.66 A C\nATOM 1863 O GLN A 935 30.528 16.340 31.528 1.00 36.94 A O\nATOM 1864 CB GLN A 935 30.703 13.453 30.638 1.00 32.68 A C\nATOM 1865 CG GLN A 935 29.388 13.003 31.278 1.00 37.61 A C\nATOM 1866 CD GLN A 935 29.522 11.707 32.068 1.00 41.28 A C\nATOM 1867 OE1 GLN A 935 30.577 11.088 32.077 1.00 38.24 A O\nATOM 1868 NE2 GLN A 935 28.447 11.306 32.755 1.00 34.59 A N\nATOM 1869 N PRO A 936 28.713 16.273 30.190 1.00 36.45 A N\nATOM 1870 CA PRO A 936 28.008 17.267 31.005 1.00 39.54 A C\nATOM 1871 C PRO A 936 27.664 16.677 32.377 1.00 36.69 A C\nATOM 1872 O PRO A 936 27.317 15.497 32.453 1.00 35.68 A O\nATOM 1873 CB PRO A 936 26.741 17.562 30.181 1.00 34.20 A C\nATOM 1874 CG PRO A 936 27.131 17.223 28.774 1.00 32.85 A C\nATOM 1875 CD PRO A 936 27.993 15.990 28.938 1.00 36.06 A C\nATOM 1876 N PRO A 937 27.830 17.472 33.457 1.00 38.32 A N\nATOM 1877 CA PRO A 937 27.599 17.015 34.833 1.00 40.21 A C\nATOM 1878 C PRO A 937 26.233 16.386 35.062 1.00 40.46 A C\nATOM 1879 O PRO A 937 26.126 15.433 35.842 1.00 37.59 A O\nATOM 1880 CB PRO A 937 27.741 18.296 35.655 1.00 46.41 A C\nATOM 1881 CG PRO A 937 28.715 19.118 34.886 1.00 46.70 A C\nATOM 1882 CD PRO A 937 28.506 18.788 33.426 1.00 39.47 A C\nATOM 1883 N ILE A 938 25.204 16.876 34.374 1.00 34.10 A N\nATOM 1884 CA ILE A 938 23.855 16.329 34.558 1.00 37.91 A C\nATOM 1885 C ILE A 938 23.631 14.986 33.839 1.00 37.49 A C\nATOM 1886 O ILE A 938 22.660 14.289 34.126 1.00 41.11 A O\nATOM 1887 CB ILE A 938 22.731 17.329 34.163 1.00 33.35 A C\nATOM 1888 CG1 ILE A 938 22.714 17.586 32.640 1.00 35.59 A C\nATOM 1889 CG2 ILE A 938 22.828 18.633 34.966 1.00 36.27 A C\nATOM 1890 CD1 ILE A 938 21.420 18.224 32.136 1.00 34.32 A C\nATOM 1891 N CYS A 939 24.516 14.620 32.915 1.00 34.04 A N\nATOM 1892 CA CYS A 939 24.244 13.437 32.081 1.00 31.20 A C\nATOM 1893 C CYS A 939 24.743 12.159 32.706 1.00 36.53 A C\nATOM 1894 O CYS A 939 25.908 12.071 33.106 1.00 31.88 A O\nATOM 1895 CB CYS A 939 24.905 13.551 30.709 1.00 32.11 A C\nATOM 1896 SG CYS A 939 24.327 14.888 29.665 1.00 37.25 A S\nATOM 1897 N THR A 940 23.891 11.141 32.747 1.00 32.45 A N\nATOM 1898 CA THR A 940 24.426 9.802 32.980 1.00 35.97 A C\nATOM 1899 C THR A 940 25.287 9.401 31.793 1.00 34.97 A C\nATOM 1900 O THR A 940 25.203 10.005 30.717 1.00 33.70 A O\nATOM 1901 CB THR A 940 23.305 8.757 33.128 1.00 35.72 A C\nATOM 1902 OG1 THR A 940 22.500 8.763 31.945 1.00 39.68 A O\nATOM 1903 CG2 THR A 940 22.449 9.071 34.363 1.00 40.81 A C\nATOM 1904 N ILE A 941 26.085 8.351 31.966 1.00 33.98 A N\nATOM 1905 CA ILE A 941 26.923 7.835 30.883 1.00 36.66 A C\nATOM 1906 C ILE A 941 26.138 7.370 29.646 1.00 29.75 A C\nATOM 1907 O ILE A 941 26.623 7.493 28.531 1.00 33.08 A O\nATOM 1908 CB ILE A 941 27.930 6.758 31.391 1.00 41.29 A C\nATOM 1909 CG1 ILE A 941 29.080 6.560 30.399 1.00 41.07 A C\nATOM 1910 CG2 ILE A 941 27.233 5.445 31.720 1.00 36.91 A C\nATOM 1911 CD1 ILE A 941 30.126 7.650 30.441 1.00 44.87 A C\nATOM 1912 N ASP A 942 24.925 6.850 29.840 1.00 35.62 A N\nATOM 1913 CA ASP A 942 24.058 6.438 28.727 1.00 35.94 A C\nATOM 1914 C ASP A 942 23.799 7.600 27.757 1.00 33.14 A C\nATOM 1915 O ASP A 942 23.804 7.423 26.529 1.00 31.94 A O\nATOM 1916 CB ASP A 942 22.716 5.941 29.274 1.00 34.61 A C\nATOM 1917 CG ASP A 942 22.882 4.975 30.427 1.00 57.33 A C\nATOM 1918 OD1 ASP A 942 22.854 3.759 30.156 1.00 55.48 A O\nATOM 1919 OD2 ASP A 942 23.075 5.431 31.589 1.00 61.31 A O\nATOM 1920 N VAL A 943 23.575 8.782 28.316 1.00 31.75 A N\nATOM 1921 CA VAL A 943 23.296 9.965 27.488 1.00 32.99 A C\nATOM 1922 C VAL A 943 24.574 10.469 26.835 1.00 32.91 A C\nATOM 1923 O VAL A 943 24.594 10.757 25.638 1.00 30.24 A O\nATOM 1924 CB VAL A 943 22.603 11.095 28.278 1.00 38.37 A C\nATOM 1925 CG1 VAL A 943 22.510 12.373 27.438 1.00 34.73 A C\nATOM 1926 CG2 VAL A 943 21.217 10.649 28.705 1.00 36.83 A C\nATOM 1927 N TYR A 944 25.647 10.557 27.612 1.00 32.14 A N\nATOM 1928 CA TYR A 944 26.927 10.980 27.042 1.00 31.45 A C\nATOM 1929 C TYR A 944 27.404 10.020 25.942 1.00 29.66 A C\nATOM 1930 O TYR A 944 27.973 10.463 24.949 1.00 30.29 A O\nATOM 1931 CB TYR A 944 27.964 11.172 28.146 1.00 31.25 A C\nATOM 1932 CG TYR A 944 29.292 11.716 27.677 1.00 33.16 A C\nATOM 1933 CD1 TYR A 944 30.480 11.078 28.026 1.00 38.27 A C\nATOM 1934 CD2 TYR A 944 29.363 12.874 26.876 1.00 30.07 A C\nATOM 1935 CE1 TYR A 944 31.701 11.576 27.611 1.00 34.59 A C\nATOM 1936 CE2 TYR A 944 30.586 13.381 26.456 1.00 30.25 A C\nATOM 1937 CZ TYR A 944 31.740 12.734 26.829 1.00 33.30 A C\nATOM 1938 OH TYR A 944 32.946 13.214 26.403 1.00 32.21 A O\nATOM 1939 N MET A 945 27.179 8.710 26.113 1.00 28.39 A N\nATOM 1940 CA MET A 945 27.573 7.751 25.079 1.00 31.97 A C\nATOM 1941 C MET A 945 26.931 8.061 23.738 1.00 36.65 A C\nATOM 1942 O MET A 945 27.522 7.845 22.690 1.00 28.47 A O\nATOM 1943 CB MET A 945 27.202 6.316 25.454 1.00 38.25 A C\nATOM 1944 CG MET A 945 28.192 5.594 26.346 1.00 55.75 A C\nATOM 1945 SD MET A 945 29.792 5.350 25.555 1.00 67.50 A S\nATOM 1946 CE MET A 945 30.653 6.763 26.204 1.00 33.80 A C\nATOM 1947 N ILE A 946 25.689 8.529 23.763 1.00 30.37 A N\nATOM 1948 CA ILE A 946 25.062 8.912 22.527 1.00 31.60 A C\nATOM 1949 C ILE A 946 25.826 10.040 21.849 1.00 24.60 A C\nATOM 1950 O ILE A 946 26.081 9.958 20.654 1.00 26.88 A O\nATOM 1951 CB ILE A 946 23.604 9.359 22.747 1.00 34.97 A C\nATOM 1952 CG1 ILE A 946 22.796 8.227 23.371 1.00 41.69 A C\nATOM 1953 CG2 ILE A 946 22.984 9.808 21.430 1.00 36.80 A C\nATOM 1954 CD1 ILE A 946 21.374 8.639 23.700 1.00 41.79 A C\nATOM 1955 N MET A 947 26.132 11.097 22.606 1.00 24.86 A N\nATOM 1956 CA MET A 947 26.870 12.239 22.100 1.00 30.27 A C\nATOM 1957 C MET A 947 28.209 11.750 21.532 1.00 28.44 A C\nATOM 1958 O MET A 947 28.639 12.157 20.443 1.00 29.20 A O\nATOM 1959 CB MET A 947 27.147 13.237 23.233 1.00 31.12 A C\nATOM 1960 CG MET A 947 26.092 14.323 23.437 1.00 37.09 A C\nATOM 1961 SD MET A 947 26.416 15.215 24.976 1.00 41.55 A S\nATOM 1962 CE MET A 947 25.321 14.328 26.057 1.00 38.59 A C\nATOM 1963 N VAL A 948 28.856 10.867 22.284 1.00 27.85 A N\nATOM 1964 CA VAL A 948 30.157 10.315 21.867 1.00 28.13 A C\nATOM 1965 C VAL A 948 30.089 9.557 20.548 1.00 25.79 A C\nATOM 1966 O VAL A 948 30.941 9.740 19.686 1.00 26.90 A O\nATOM 1967 CB VAL A 948 30.817 9.463 22.997 1.00 35.26 A C\nATOM 1968 CG1 VAL A 948 32.037 8.701 22.473 1.00 32.02 A C\nATOM 1969 CG2 VAL A 948 31.236 10.376 24.148 1.00 32.56 A C\nATOM 1970 N LYS A 949 29.031 8.755 20.361 1.00 27.83 A N\nATOM 1971 CA LYS A 949 28.774 8.081 19.101 1.00 27.08 A C\nATOM 1972 C LYS A 949 28.585 9.047 17.933 1.00 25.07 A C\nATOM 1973 O LYS A 949 29.025 8.744 16.823 1.00 24.22 A O\nATOM 1974 CB LYS A 949 27.539 7.151 19.198 1.00 30.67 A C\nATOM 1975 CG LYS A 949 27.699 5.954 20.116 1.00 50.64 A C\nATOM 1976 CD LYS A 949 26.468 5.062 20.040 1.00 51.67 A C\nATOM 1977 CE LYS A 949 26.423 4.044 21.167 1.00 82.77 A C\nATOM 1978 NZ LYS A 949 25.147 3.272 21.132 1.00 91.62 A N\nATOM 1979 N CYS A 950 27.916 10.191 18.177 1.00 25.41 A N\nATOM 1980 CA CYS A 950 27.705 11.180 17.129 1.00 19.95 A C\nATOM 1981 C CYS A 950 29.041 11.770 16.638 1.00 23.74 A C\nATOM 1982 O CYS A 950 29.101 12.339 15.565 1.00 25.93 A O\nATOM 1983 CB CYS A 950 26.879 12.333 17.670 1.00 19.18 A C\nATOM 1984 SG CYS A 950 25.132 11.865 17.902 1.00 27.36 A S\nATOM 1985 N TRP A 951 30.088 11.654 17.440 1.00 26.52 A N\nATOM 1986 CA TRP A 951 31.397 12.217 17.056 1.00 25.40 A C\nATOM 1987 C TRP A 951 32.490 11.223 16.667 1.00 26.10 A C\nATOM 1988 O TRP A 951 33.711 11.543 16.678 1.00 28.21 A O\nATOM 1989 CB TRP A 951 31.924 13.148 18.145 1.00 29.36 A C\nATOM 1990 CG TRP A 951 30.945 14.182 18.676 1.00 26.70 A C\nATOM 1991 CD1 TRP A 951 30.089 14.983 17.956 1.00 24.99 A C\nATOM 1992 CD2 TRP A 951 30.788 14.550 20.045 1.00 27.29 A C\nATOM 1993 NE1 TRP A 951 29.440 15.834 18.802 1.00 24.81 A N\nATOM 1994 CE2 TRP A 951 29.813 15.567 20.092 1.00 28.56 A C\nATOM 1995 CE3 TRP A 951 31.365 14.099 21.250 1.00 21.85 A C\nATOM 1996 CZ2 TRP A 951 29.396 16.145 21.294 1.00 29.28 A C\nATOM 1997 CZ3 TRP A 951 30.964 14.656 22.427 1.00 26.79 A C\nATOM 1998 CH2 TRP A 951 29.962 15.679 22.449 1.00 25.12 A C\nATOM 1999 N MET A 952 32.068 10.028 16.295 1.00 28.04 A N\nATOM 2000 CA MET A 952 32.971 9.031 15.724 1.00 31.49 A C\nATOM 2001 C MET A 952 33.558 9.485 14.406 1.00 31.35 A C\nATOM 2002 O MET A 952 32.898 10.092 13.574 1.00 22.79 A O\nATOM 2003 CB MET A 952 32.235 7.699 15.549 1.00 29.84 A C\nATOM 2004 CG MET A 952 31.955 7.055 16.881 1.00 35.69 A C\nATOM 2005 SD MET A 952 31.264 5.418 16.645 1.00 50.21 A S\nATOM 2006 CE MET A 952 29.532 5.748 16.482 1.00 49.56 A C\nATOM 2007 N ILE A 953 34.849 9.215 14.207 1.00 26.28 A N\nATOM 2008 CA ILE A 953 35.477 9.572 12.945 1.00 26.84 A C\nATOM 2009 C ILE A 953 34.795 8.949 11.721 1.00 26.04 A C\nATOM 2010 O ILE A 953 34.618 9.606 10.661 1.00 27.41 A O\nATOM 2011 CB ILE A 953 37.008 9.189 13.002 1.00 27.73 A C\nATOM 2012 CG1 ILE A 953 37.730 10.036 14.057 1.00 41.78 A C\nATOM 2013 CG2 ILE A 953 37.658 9.347 11.637 1.00 34.33 A C\nATOM 2014 CD1 ILE A 953 37.358 11.509 14.059 1.00 44.58 A C\nATOM 2015 N ASP A 954 34.376 7.696 11.878 1.00 29.16 A N\nATOM 2016 CA ASP A 954 33.643 6.975 10.837 1.00 25.74 A C\nATOM 2017 C ASP A 954 32.196 7.450 10.801 1.00 28.20 A C\nATOM 2018 O ASP A 954 31.405 7.040 11.644 1.00 28.96 A O\nATOM 2019 CB ASP A 954 33.681 5.473 11.100 1.00 29.26 A C\nATOM 2020 CG ASP A 954 32.932 4.663 10.055 1.00 44.06 A C\nATOM 2021 OD1 ASP A 954 32.812 3.447 10.275 1.00 41.62 A O\nATOM 2022 OD2 ASP A 954 32.448 5.217 9.035 1.00 48.86 A O\nATOM 2023 N ALA A 955 31.874 8.302 9.828 1.00 23.94 A N\nATOM 2024 CA ALA A 955 30.497 8.895 9.752 1.00 27.43 A C\nATOM 2025 C ALA A 955 29.398 7.840 9.609 1.00 26.35 A C\nATOM 2026 O ALA A 955 28.243 8.053 10.075 1.00 28.83 A O\nATOM 2027 CB ALA A 955 30.425 9.862 8.584 1.00 28.45 A C\nATOM 2028 N ASP A 956 29.709 6.752 8.874 1.00 26.69 A N\nATOM 2029 CA ASP A 956 28.798 5.640 8.673 1.00 35.35 A C\nATOM 2030 C ASP A 956 28.457 4.912 9.979 1.00 40.99 A C\nATOM 2031 O ASP A 956 27.404 4.282 10.089 1.00 37.36 A O\nATOM 2032 CB ASP A 956 29.334 4.636 7.633 1.00 32.05 A C\nATOM 2033 CG ASP A 956 29.294 5.172 6.206 1.00 36.02 A C\nATOM 2034 OD1 ASP A 956 28.299 5.828 5.811 1.00 35.49 A O\nATOM 2035 OD2 ASP A 956 30.257 4.924 5.444 1.00 34.40 A O\nATOM 2036 N SER A 957 29.350 4.987 10.957 1.00 27.19 A N\nATOM 2037 CA SER A 957 29.096 4.376 12.282 1.00 33.80 A C\nATOM 2038 C SER A 957 28.258 5.210 13.267 1.00 30.15 A C\nATOM 2039 O SER A 957 27.822 4.689 14.294 1.00 29.39 A O\nATOM 2040 CB SER A 957 30.420 3.971 12.943 1.00 38.98 A C\nATOM 2041 OG SER A 957 30.965 2.841 12.272 1.00 49.31 A O\nATOM 2042 N ARG A 958 28.104 6.507 12.989 1.00 24.60 A N\nATOM 2043 CA ARG A 958 27.427 7.421 13.874 1.00 22.34 A C\nATOM 2044 C ARG A 958 25.958 6.978 13.823 1.00 26.19 A C\nATOM 2045 O ARG A 958 25.567 6.399 12.818 1.00 29.89 A O\nATOM 2046 CB ARG A 958 27.487 8.840 13.320 1.00 22.29 A C\nATOM 2047 CG ARG A 958 28.877 9.471 13.416 1.00 26.42 A C\nATOM 2048 CD ARG A 958 28.968 10.829 12.731 1.00 21.30 A C\nATOM 2049 NE ARG A 958 30.421 11.064 12.508 1.00 23.89 A N\nATOM 2050 CZ ARG A 958 30.895 11.848 11.556 1.00 24.19 A C\nATOM 2051 NH1 ARG A 958 32.214 11.950 11.405 1.00 25.65 A N\nATOM 2052 NH2 ARG A 958 30.062 12.523 10.754 1.00 24.53 A N\nATOM 2053 N PRO A 959 25.180 7.292 14.873 1.00 25.41 A N\nATOM 2054 CA PRO A 959 23.727 6.979 14.901 1.00 29.19 A C\nATOM 2055 C PRO A 959 23.027 7.670 13.743 1.00 29.90 A C\nATOM 2056 O PRO A 959 23.515 8.685 13.220 1.00 29.85 A O\nATOM 2057 CB PRO A 959 23.253 7.611 16.218 1.00 27.16 A C\nATOM 2058 CG PRO A 959 24.496 7.779 17.044 1.00 33.36 A C\nATOM 2059 CD PRO A 959 25.558 8.113 16.031 1.00 25.57 A C\nATOM 2060 N LYS A 960 21.865 7.156 13.352 1.00 29.28 A N\nATOM 2061 CA LYS A 960 21.033 7.865 12.390 1.00 30.63 A C\nATOM 2062 C LYS A 960 19.933 8.641 13.110 1.00 31.70 A C\nATOM 2063 O LYS A 960 19.543 8.314 14.221 1.00 28.52 A O\nATOM 2064 CB LYS A 960 20.365 6.870 11.429 1.00 32.29 A C\nATOM 2065 CG LYS A 960 21.313 5.899 10.741 1.00 36.44 A C\nATOM 2066 CD LYS A 960 22.209 6.612 9.746 1.00 37.47 A C\nATOM 2067 CE LYS A 960 23.462 5.782 9.499 1.00 48.14 A C\nATOM 2068 NZ LYS A 960 23.127 4.504 8.814 1.00 57.44 A N\nATOM 2069 N PHE A 961 19.394 9.652 12.456 1.00 24.91 A N\nATOM 2070 CA PHE A 961 18.433 10.468 13.137 1.00 26.97 A C\nATOM 2071 C PHE A 961 17.237 9.612 13.525 1.00 22.48 A C\nATOM 2072 O PHE A 961 16.689 9.800 14.595 1.00 26.85 A O\nATOM 2073 CB PHE A 961 18.014 11.643 12.277 1.00 33.43 A C\nATOM 2074 CG PHE A 961 19.026 12.743 12.274 1.00 24.90 A C\nATOM 2075 CD1 PHE A 961 19.358 13.369 13.466 1.00 23.94 A C\nATOM 2076 CD2 PHE A 961 19.630 13.143 11.093 1.00 24.13 A C\nATOM 2077 CE1 PHE A 961 20.352 14.358 13.498 1.00 26.04 A C\nATOM 2078 CE2 PHE A 961 20.554 14.165 11.109 1.00 27.17 A C\nATOM 2079 CZ PHE A 961 20.904 14.778 12.306 1.00 25.42 A C\nATOM 2080 N ARG A 962 16.913 8.620 12.705 1.00 24.16 A N\nATOM 2081 CA ARG A 962 15.698 7.803 12.997 1.00 32.45 A C\nATOM 2082 C ARG A 962 15.979 7.043 14.307 1.00 35.66 A C\nATOM 2083 O ARG A 962 15.109 6.916 15.173 1.00 34.39 A O\nATOM 2084 CB ARG A 962 15.393 6.848 11.821 1.00 36.50 A C\nATOM 2085 CG ARG A 962 16.445 5.762 11.594 1.00 48.32 A C\nATOM 2086 CD ARG A 962 16.647 5.384 10.127 1.00 72.54 A C\nATOM 2087 NE ARG A 962 17.491 6.337 9.388 1.00 61.27 A N\nATOM 2088 CZ ARG A 962 18.232 6.030 8.322 1.00 64.43 A C\nATOM 2089 NH1 ARG A 962 18.264 4.780 7.865 1.00 77.99 A N\nATOM 2090 NH2 ARG A 962 18.964 6.968 7.716 1.00 54.18 A N\nATOM 2091 N GLU A 963 17.232 6.598 14.462 1.00 30.85 A N\nATOM 2092 CA GLU A 963 17.713 5.932 15.695 1.00 32.05 A C\nATOM 2093 C GLU A 963 17.723 6.833 16.937 1.00 31.45 A C\nATOM 2094 O GLU A 963 17.424 6.388 18.040 1.00 29.54 A O\nATOM 2095 CB GLU A 963 19.123 5.344 15.466 1.00 37.66 A C\nATOM 2096 CG GLU A 963 19.140 4.191 14.463 1.00 39.70 A C\nATOM 2097 CD GLU A 963 20.539 3.774 14.022 1.00 60.45 A C\nATOM 2098 OE1 GLU A 963 20.644 2.752 13.313 1.00 56.23 A O\nATOM 2099 OE2 GLU A 963 21.533 4.453 14.369 1.00 41.38 A O\nATOM 2100 N LEU A 964 18.100 8.096 16.762 1.00 25.31 A N\nATOM 2101 CA LEU A 964 18.184 9.032 17.859 1.00 26.32 A C\nATOM 2102 C LEU A 964 16.778 9.424 18.328 1.00 26.13 A C\nATOM 2103 O LEU A 964 16.542 9.584 19.516 1.00 28.65 A O\nATOM 2104 CB LEU A 964 18.960 10.264 17.395 1.00 25.89 A C\nATOM 2105 CG LEU A 964 20.460 10.072 17.111 1.00 28.60 A C\nATOM 2106 CD1 LEU A 964 20.942 11.251 16.261 1.00 28.66 A C\nATOM 2107 CD2 LEU A 964 21.206 9.996 18.428 1.00 27.47 A C\nATOM 2108 N ILE A 965 15.848 9.508 17.390 1.00 28.34 A N\nATOM 2109 CA ILE A 965 14.435 9.745 17.762 1.00 26.46 A C\nATOM 2110 C ILE A 965 13.987 8.624 18.726 1.00 30.61 A C\nATOM 2111 O ILE A 965 13.446 8.890 19.807 1.00 35.75 A O\nATOM 2112 CB ILE A 965 13.507 9.775 16.531 1.00 25.40 A C\nATOM 2113 CG1 ILE A 965 13.784 10.979 15.618 1.00 25.97 A C\nATOM 2114 CG2 ILE A 965 12.032 9.811 17.000 1.00 25.35 A C\nATOM 2115 CD1 ILE A 965 13.176 10.873 14.232 1.00 30.34 A C\nATOM 2116 N ILE A 966 14.233 7.375 18.338 1.00 29.68 A N\nATOM 2117 CA ILE A 966 13.841 6.221 19.176 1.00 33.21 A C\nATOM 2118 C ILE A 966 14.534 6.232 20.529 1.00 36.70 A C\nATOM 2119 O ILE A 966 13.885 6.070 21.549 1.00 31.29 A O\nATOM 2120 CB ILE A 966 14.066 4.878 18.435 1.00 37.90 A C\nATOM 2121 CG1 ILE A 966 13.175 4.837 17.184 1.00 35.13 A C\nATOM 2122 CG2 ILE A 966 13.825 3.690 19.359 1.00 38.22 A C\nATOM 2123 CD1 ILE A 966 13.473 3.718 16.211 1.00 39.64 A C\nATOM 2124 N GLU A 967 15.857 6.436 20.546 1.00 29.87 A N\nATOM 2125 CA GLU A 967 16.596 6.395 21.799 1.00 30.45 A C\nATOM 2126 C GLU A 967 16.229 7.514 22.744 1.00 27.32 A C\nATOM 2127 O GLU A 967 16.050 7.279 23.938 1.00 31.31 A O\nATOM 2128 CB GLU A 967 18.118 6.417 21.550 1.00 29.82 A C\nATOM 2129 CG GLU A 967 18.888 6.111 22.833 1.00 41.91 A C\nATOM 2130 CD GLU A 967 20.220 5.413 22.612 1.00 67.96 A C\nATOM 2131 OE1 GLU A 967 20.706 5.384 21.459 1.00 72.73 A O\nATOM 2132 OE2 GLU A 967 20.787 4.895 23.605 1.00 71.12 A O\nATOM 2133 N PHE A 968 16.157 8.746 22.244 1.00 25.09 A N\nATOM 2134 CA PHE A 968 15.799 9.825 23.118 1.00 24.70 A C\nATOM 2135 C PHE A 968 14.334 9.732 23.526 1.00 27.77 A C\nATOM 2136 O PHE A 968 13.984 10.202 24.602 1.00 33.79 A O\nATOM 2137 CB PHE A 968 16.098 11.200 22.519 1.00 29.04 A C\nATOM 2138 CG PHE A 968 17.534 11.615 22.687 1.00 26.08 A C\nATOM 2139 CD1 PHE A 968 17.986 12.107 23.923 1.00 28.02 A C\nATOM 2140 CD2 PHE A 968 18.414 11.523 21.643 1.00 31.48 A C\nATOM 2141 CE1 PHE A 968 19.312 12.484 24.098 1.00 37.91 A C\nATOM 2142 CE2 PHE A 968 19.764 11.894 21.814 1.00 28.57 A C\nATOM 2143 CZ PHE A 968 20.193 12.375 23.040 1.00 28.34 A C\nATOM 2144 N SER A 969 13.498 9.131 22.682 1.00 30.87 A N\nATOM 2145 CA SER A 969 12.068 8.965 23.060 1.00 33.85 A C\nATOM 2146 C SER A 969 11.898 7.999 24.228 1.00 33.17 A C\nATOM 2147 O SER A 969 11.093 8.243 25.128 1.00 34.84 A O\nATOM 2148 CB SER A 969 11.181 8.532 21.883 1.00 32.06 A C\nATOM 2149 OG SER A 969 10.991 9.585 20.955 1.00 33.02 A O\nATOM 2150 N LYS A 970 12.652 6.908 24.205 1.00 32.14 A N\nATOM 2151 CA LYS A 970 12.703 5.961 25.309 1.00 37.37 A C\nATOM 2152 C LYS A 970 13.193 6.609 26.609 1.00 39.04 A C\nATOM 2153 O LYS A 970 12.638 6.378 27.685 1.00 34.22 A O\nATOM 2154 CB LYS A 970 13.586 4.781 24.930 1.00 44.71 A C\nATOM 2155 CG LYS A 970 13.514 3.603 25.888 1.00 54.40 A C\nATOM 2156 CD LYS A 970 14.842 2.871 25.914 1.00 66.75 A C\nATOM 2157 CE LYS A 970 15.858 3.647 26.735 1.00 61.14 A C\nATOM 2158 NZ LYS A 970 17.221 3.578 26.145 1.00 57.30 A N\nATOM 2159 N MET A 971 14.221 7.447 26.507 1.00 34.27 A N\nATOM 2160 CA MET A 971 14.714 8.170 27.667 1.00 38.53 A C\nATOM 2161 C MET A 971 13.699 9.182 28.205 1.00 36.40 A C\nATOM 2162 O MET A 971 13.541 9.326 29.421 1.00 37.01 A O\nATOM 2163 CB MET A 971 16.045 8.860 27.343 1.00 32.59 A C\nATOM 2164 CG MET A 971 17.187 7.876 27.201 1.00 37.63 A C\nATOM 2165 SD MET A 971 18.730 8.693 26.743 1.00 42.65 A S\nATOM 2166 CE MET A 971 19.755 7.243 26.504 1.00 41.03 A C\nATOM 2167 N ALA A 972 13.022 9.881 27.306 1.00 35.63 A N\nATOM 2168 CA ALA A 972 12.009 10.863 27.707 1.00 40.29 A C\nATOM 2169 C ALA A 972 10.846 10.214 28.471 1.00 39.74 A C\nATOM 2170 O ALA A 972 10.048 10.905 29.100 1.00 41.83 A O\nATOM 2171 CB ALA A 972 11.484 11.612 26.501 1.00 36.65 A C\nATOM 2172 N ARG A 973 10.763 8.890 28.411 1.00 38.80 A N\nATOM 2173 CA ARG A 973 9.721 8.145 29.122 1.00 45.17 A C\nATOM 2174 C ARG A 973 10.071 7.938 30.587 1.00 46.95 A C\nATOM 2175 O ARG A 973 9.193 7.680 31.408 1.00 46.82 A O\nATOM 2176 CB ARG A 973 9.460 6.799 28.448 1.00 49.11 A C\nATOM 2177 CG ARG A 973 8.497 6.894 27.281 1.00 63.00 A C\nATOM 2178 CD ARG A 973 8.006 5.523 26.852 1.00 68.86 A C\nATOM 2179 NE ARG A 973 8.972 4.845 25.992 1.00 74.80 A N\nATOM 2180 CZ ARG A 973 9.147 5.112 24.699 1.00 74.25 A C\nATOM 2181 NH1 ARG A 973 8.426 6.054 24.094 1.00 60.78 A N\nATOM 2182 NH2 ARG A 973 10.052 4.439 24.007 1.00 62.58 A N\nATOM 2183 N ASP A 974 11.356 8.059 30.913 1.00 44.27 A N\nATOM 2184 CA ASP A 974 11.825 7.902 32.281 1.00 40.09 A C\nATOM 2185 C ASP A 974 12.989 8.886 32.485 1.00 43.22 A C\nATOM 2186 O ASP A 974 14.125 8.467 32.685 1.00 44.56 A O\nATOM 2187 CB ASP A 974 12.254 6.440 32.496 1.00 49.38 A C\nATOM 2188 CG ASP A 974 12.701 6.146 33.922 1.00 50.59 A C\nATOM 2189 OD1 ASP A 974 12.452 6.968 34.825 1.00 48.82 A O\nATOM 2190 OD2 ASP A 974 13.317 5.076 34.134 1.00 59.91 A O\nATOM 2191 N PRO A 975 12.706 10.199 32.427 1.00 47.74 A N\nATOM 2192 CA PRO A 975 13.787 11.200 32.291 1.00 38.86 A C\nATOM 2193 C PRO A 975 14.784 11.235 33.452 1.00 49.16 A C\nATOM 2194 O PRO A 975 15.972 11.511 33.256 1.00 35.53 A O\nATOM 2195 CB PRO A 975 13.033 12.530 32.189 1.00 42.70 A C\nATOM 2196 CG PRO A 975 11.678 12.271 32.763 1.00 40.71 A C\nATOM 2197 CD PRO A 975 11.371 10.826 32.491 1.00 37.78 A C\nATOM 2198 N GLN A 976 14.305 10.943 34.654 1.00 46.37 A N\nATOM 2199 CA GLN A 976 15.132 11.037 35.844 1.00 44.65 A C\nATOM 2200 C GLN A 976 16.125 9.898 35.976 1.00 44.99 A C\nATOM 2201 O GLN A 976 17.103 10.018 36.712 1.00 46.21 A O\nATOM 2202 CB GLN A 976 14.268 11.228 37.092 1.00 49.69 A C\nATOM 2203 CG GLN A 976 13.475 12.530 37.034 1.00 56.06 A C\nATOM 2204 CD GLN A 976 12.517 12.716 38.191 1.00 63.88 A C\nATOM 2205 OE1 GLN A 976 11.316 12.930 37.993 1.00 71.50 A O\nATOM 2206 NE2 GLN A 976 13.039 12.644 39.403 1.00 50.50 A N\nATOM 2207 N ARG A 977 15.884 8.808 35.243 1.00 42.74 A N\nATOM 2208 CA ARG A 977 16.888 7.757 35.069 1.00 45.63 A C\nATOM 2209 C ARG A 977 18.112 8.246 34.274 1.00 43.53 A C\nATOM 2210 O ARG A 977 19.234 7.782 34.496 1.00 42.89 A O\nATOM 2211 CB ARG A 977 16.281 6.535 34.364 1.00 45.27 A C\nATOM 2212 CG ARG A 977 17.132 5.283 34.472 1.00 46.22 A C\nATOM 2213 CD ARG A 977 16.596 4.107 33.671 1.00 54.73 A C\nATOM 2214 NE ARG A 977 17.709 3.226 33.297 1.00 57.38 A N\nATOM 2215 CZ ARG A 977 17.623 2.135 32.532 1.00 64.89 A C\nATOM 2216 NH1 ARG A 977 18.720 1.429 32.275 1.00 58.85 A N\nATOM 2217 NH2 ARG A 977 16.465 1.744 32.016 1.00 46.96 A N\nATOM 2218 N TYR A 978 17.904 9.187 33.354 1.00 45.93 A N\nATOM 2219 CA TYR A 978 18.962 9.530 32.383 1.00 38.90 A C\nATOM 2220 C TYR A 978 19.665 10.872 32.595 1.00 39.82 A C\nATOM 2221 O TYR A 978 20.848 11.039 32.216 1.00 32.24 A O\nATOM 2222 CB TYR A 978 18.411 9.401 30.966 1.00 35.50 A C\nATOM 2223 CG TYR A 978 17.969 7.990 30.665 1.00 38.93 A C\nATOM 2224 CD1 TYR A 978 16.619 7.628 30.743 1.00 41.70 A C\nATOM 2225 CD2 TYR A 978 18.900 7.009 30.321 1.00 39.01 A C\nATOM 2226 CE1 TYR A 978 16.211 6.324 30.474 1.00 40.99 A C\nATOM 2227 CE2 TYR A 978 18.500 5.699 30.064 1.00 43.77 A C\nATOM 2228 CZ TYR A 978 17.154 5.369 30.140 1.00 47.30 A C\nATOM 2229 OH TYR A 978 16.756 4.081 29.863 1.00 43.86 A O\nATOM 2230 N LEU A 979 18.938 11.822 33.181 1.00 32.08 A N\nATOM 2231 CA LEU A 979 19.534 13.110 33.578 1.00 32.15 A C\nATOM 2232 C LEU A 979 19.379 13.331 35.074 1.00 37.34 A C\nATOM 2233 O LEU A 979 18.300 13.095 35.640 1.00 40.97 A O\nATOM 2234 CB LEU A 979 18.920 14.286 32.787 1.00 32.90 A C\nATOM 2235 CG LEU A 979 19.028 14.222 31.257 1.00 37.92 A C\nATOM 2236 CD1 LEU A 979 18.289 15.375 30.604 1.00 34.76 A C\nATOM 2237 CD2 LEU A 979 20.481 14.218 30.787 1.00 30.23 A C\nATOM 2238 N VAL A 980 20.460 13.780 35.710 1.00 35.35 A N\nATOM 2239 CA VAL A 980 20.490 14.006 37.150 1.00 41.00 A C\nATOM 2240 C VAL A 980 20.533 15.506 37.424 1.00 40.10 A C\nATOM 2241 O VAL A 980 21.585 16.134 37.309 1.00 40.40 A O\nATOM 2242 CB VAL A 980 21.692 13.297 37.827 1.00 41.35 A C\nATOM 2243 CG1 VAL A 980 21.594 13.413 39.343 1.00 47.67 A C\nATOM 2244 CG2 VAL A 980 21.748 11.832 37.428 1.00 44.11 A C\nATOM 2245 N ILE A 981 19.380 16.067 37.785 1.00 38.21 A N\nATOM 2246 CA ILE A 981 19.229 17.500 38.005 1.00 41.44 A C\nATOM 2247 C ILE A 981 18.665 17.708 39.411 1.00 50.08 A C\nATOM 2248 O ILE A 981 17.603 17.179 39.731 1.00 46.16 A O\nATOM 2249 CB ILE A 981 18.273 18.126 36.956 1.00 43.63 A C\nATOM 2250 CG1 ILE A 981 18.811 17.912 35.526 1.00 40.45 A C\nATOM 2251 CG2 ILE A 981 18.020 19.603 37.244 1.00 44.86 A C\nATOM 2252 CD1 ILE A 981 17.808 18.200 34.428 1.00 44.41 A C\nATOM 2253 N GLN A 982 19.367 18.469 40.247 1.00 50.83 A N\nATOM 2254 CA GLN A 982 18.880 18.741 41.600 1.00 51.62 A C\nATOM 2255 C GLN A 982 17.574 19.526 41.551 1.00 55.46 A C\nATOM 2256 O GLN A 982 17.480 20.552 40.874 1.00 57.81 A O\nATOM 2257 CB GLN A 982 19.919 19.503 42.417 1.00 66.60 A C\nATOM 2258 CG GLN A 982 19.629 19.481 43.912 1.00 84.41 A C\nATOM 2259 CD GLN A 982 20.596 20.323 44.721 1.00 91.98 A C\nATOM 2260 OE1 GLN A 982 20.963 21.428 44.321 1.00 79.66 A O\nATOM 2261 NE2 GLN A 982 21.005 19.805 45.874 1.00 98.17 A N\nATOM 2262 N GLY A 983 16.564 19.031 42.260 1.00 57.34 A N\nATOM 2263 CA GLY A 983 15.272 19.707 42.324 1.00 58.56 A C\nATOM 2264 C GLY A 983 14.382 19.380 41.140 1.00 64.74 A C\nATOM 2265 O GLY A 983 13.302 19.957 40.991 1.00 57.96 A O\nATOM 2266 N ASP A 984 14.829 18.429 40.319 1.00 58.41 A N\nATOM 2267 CA ASP A 984 14.153 18.052 39.082 1.00 50.51 A C\nATOM 2268 C ASP A 984 12.631 17.979 39.234 1.00 54.41 A C\nATOM 2269 O ASP A 984 11.900 18.579 38.444 1.00 54.82 A O\nATOM 2270 CB ASP A 984 14.706 16.714 38.572 1.00 41.18 A C\nATOM 2271 CG ASP A 984 14.494 16.510 37.081 1.00 51.31 A C\nATOM 2272 OD1 ASP A 984 13.942 17.406 36.407 1.00 55.80 A O\nATOM 2273 OD2 ASP A 984 14.890 15.434 36.583 1.00 53.67 A O\nATOM 2274 N GLU A 985 12.168 17.250 40.250 1.00 61.44 A N\nATOM 2275 CA GLU A 985 10.734 17.068 40.514 1.00 75.39 A C\nATOM 2276 C GLU A 985 9.997 18.398 40.742 1.00 70.39 A C\nATOM 2277 O GLU A 985 8.878 18.582 40.260 1.00 71.81 A O\nATOM 2278 CB GLU A 985 10.529 16.127 41.710 1.00 87.47 A C\nATOM 2279 CG GLU A 985 9.132 15.530 41.829 1.00106.30 A C\nATOM 2280 CD GLU A 985 8.910 14.338 40.911 1.00119.07 A C\nATOM 2281 OE1 GLU A 985 9.723 13.387 40.948 1.00109.24 A O\nATOM 2282 OE2 GLU A 985 7.911 14.345 40.160 1.00120.64 A O\nATOM 2283 N ARG A 986 10.636 19.315 41.465 1.00 70.04 A N\nATOM 2284 CA ARG A 986 10.063 20.626 41.770 1.00 74.49 A C\nATOM 2285 C ARG A 986 10.618 21.720 40.852 1.00 82.24 A C\nATOM 2286 O ARG A 986 11.241 22.679 41.317 1.00 98.92 A O\nATOM 2287 CB ARG A 986 10.291 20.990 43.249 1.00 78.16 A C\nATOM 2288 CG ARG A 986 9.347 20.310 44.236 1.00 89.52 A C\nATOM 2289 CD ARG A 986 9.857 18.947 44.685 1.00 91.30 A C\nATOM 2290 NE ARG A 986 10.823 19.046 45.780 1.00105.11 A N\nATOM 2291 CZ ARG A 986 10.561 18.740 47.050 1.00116.04 A C\nATOM 2292 NH1 ARG A 986 9.358 18.302 47.404 1.00113.63 A N\nATOM 2293 NH2 ARG A 986 11.509 18.865 47.973 1.00102.80 A N\nATOM 2294 N MET A 987 10.395 21.570 39.548 1.00 81.34 A N\nATOM 2295 CA MET A 987 10.823 22.582 38.579 1.00 74.92 A C\nATOM 2296 C MET A 987 9.706 23.056 37.667 1.00 78.05 A C\nATOM 2297 O MET A 987 9.112 22.272 36.924 1.00 65.68 A O\nATOM 2298 CB MET A 987 12.022 22.112 37.756 1.00 80.36 A C\nATOM 2299 CG MET A 987 13.333 22.695 38.244 1.00 67.52 A C\nATOM 2300 SD MET A 987 14.745 21.861 37.521 1.00 74.21 A S\nATOM 2301 CE MET A 987 16.070 22.517 38.532 1.00 74.56 A C\nATOM 2302 N HIS A 988 9.450 24.356 37.730 1.00 94.20 A N\nATOM 2303 CA HIS A 988 8.340 24.980 37.028 1.00 94.97 A C\nATOM 2304 C HIS A 988 8.871 25.986 36.014 1.00 76.90 A C\nATOM 2305 O HIS A 988 9.596 26.914 36.376 1.00 78.04 A O\nATOM 2306 CB HIS A 988 7.414 25.673 38.040 1.00115.88 A C\nATOM 2307 CG HIS A 988 8.135 26.558 39.016 1.00132.41 A C\nATOM 2308 ND1 HIS A 988 8.836 26.062 40.095 1.00126.55 A N\nATOM 2309 CD2 HIS A 988 8.264 27.905 39.071 1.00128.35 A C\nATOM 2310 CE1 HIS A 988 9.366 27.065 40.772 1.00120.82 A C\nATOM 2311 NE2 HIS A 988 9.034 28.194 40.172 1.00121.40 A N\nATOM 2312 N LEU A 989 8.529 25.798 34.744 1.00 61.44 A N\nATOM 2313 CA LEU A 989 8.944 26.763 33.728 1.00 72.63 A C\nATOM 2314 C LEU A 989 8.065 28.009 33.747 1.00 85.75 A C\nATOM 2315 O LEU A 989 6.834 27.894 33.749 1.00 68.16 A O\nATOM 2316 CB LEU A 989 8.997 26.145 32.325 1.00 67.66 A C\nATOM 2317 CG LEU A 989 10.311 25.454 31.936 1.00 67.91 A C\nATOM 2318 CD1 LEU A 989 10.234 25.008 30.488 1.00 65.81 A C\nATOM 2319 CD2 LEU A 989 11.531 26.344 32.152 1.00 50.84 A C\nATOM 2320 N PRO A 990 8.700 29.202 33.773 1.00 86.52 A N\nATOM 2321 CA PRO A 990 7.985 30.476 33.786 1.00 89.95 A C\nATOM 2322 C PRO A 990 7.082 30.614 32.576 1.00 85.79 A C\nATOM 2323 O PRO A 990 7.395 30.085 31.505 1.00 80.02 A O\nATOM 2324 CB PRO A 990 9.110 31.515 33.708 1.00 92.65 A C\nATOM 2325 CG PRO A 990 10.305 30.821 34.259 1.00 91.35 A C\nATOM 2326 CD PRO A 990 10.161 29.400 33.802 1.00 83.38 A C\nATOM 2327 N SER A 991 5.965 31.312 32.762 1.00 84.48 A N\nATOM 2328 CA SER A 991 5.051 31.639 31.676 1.00 93.44 A C\nATOM 2329 C SER A 991 5.854 32.156 30.482 1.00 92.51 A C\nATOM 2330 O SER A 991 6.660 33.080 30.632 1.00 91.73 A O\nATOM 2331 CB SER A 991 4.032 32.684 32.138 1.00 98.17 A C\nATOM 2332 OG SER A 991 3.057 32.924 31.141 1.00 92.32 A O\nATOM 2333 N PRO A 992 5.655 31.541 29.299 1.00 96.28 A N\nATOM 2334 CA PRO A 992 6.471 31.836 28.118 1.00 93.22 A C\nATOM 2335 C PRO A 992 6.521 33.327 27.773 1.00101.42 A C\nATOM 2336 O PRO A 992 7.588 33.832 27.417 1.00105.40 A O\nATOM 2337 CB PRO A 992 5.781 31.044 26.999 1.00 89.86 A C\nATOM 2338 CG PRO A 992 5.037 29.959 27.697 1.00 95.22 A C\nATOM 2339 CD PRO A 992 4.610 30.540 29.012 1.00100.69 A C\nATOM 2340 N THR A 993 5.386 34.019 27.896 1.00 81.78 A N\nATOM 2341 CA THR A 993 5.290 35.439 27.527 1.00 91.40 A C\nATOM 2342 C THR A 993 5.809 36.395 28.607 1.00106.34 A C\nATOM 2343 O THR A 993 5.974 37.594 28.355 1.00103.45 A O\nATOM 2344 CB THR A 993 3.857 35.833 27.114 1.00 90.34 A C\nATOM 2345 OG1 THR A 993 2.911 35.171 27.963 1.00 97.10 A O\nATOM 2346 CG2 THR A 993 3.590 35.439 25.666 1.00 85.30 A C\nATOM 2347 N ASP A 994 6.066 35.861 29.800 1.00111.43 A N\nATOM 2348 CA ASP A 994 6.711 36.622 30.869 1.00102.16 A C\nATOM 2349 C ASP A 994 8.228 36.642 30.686 1.00 91.62 A C\nATOM 2350 O ASP A 994 8.942 37.286 31.459 1.00 91.58 A O\nATOM 2351 CB ASP A 994 6.352 36.050 32.248 1.00102.74 A C\nATOM 2352 CG ASP A 994 4.889 36.266 32.618 1.00109.76 A C\nATOM 2353 OD1 ASP A 994 4.078 36.622 31.733 1.00 97.63 A O\nATOM 2354 OD2 ASP A 994 4.551 36.072 33.807 1.00 97.59 A O\nATOM 2355 N SER A 995 8.716 35.937 29.664 1.00 82.22 A N\nATOM 2356 CA SER A 995 10.146 35.925 29.364 1.00 72.60 A C\nATOM 2357 C SER A 995 10.578 37.299 28.878 1.00 75.53 A C\nATOM 2358 O SER A 995 9.802 38.037 28.253 1.00 70.58 A O\nATOM 2359 CB SER A 995 10.526 34.838 28.336 1.00 76.40 A C\nATOM 2360 OG SER A 995 10.649 35.348 27.010 1.00 56.44 A O\nATOM 2361 N ASN A 996 11.823 37.631 29.181 1.00 70.57 A N\nATOM 2362 CA ASN A 996 12.399 38.885 28.758 1.00 73.99 A C\nATOM 2363 C ASN A 996 12.426 38.999 27.234 1.00 75.58 A C\nATOM 2364 O ASN A 996 12.012 40.027 26.679 1.00 73.07 A O\nATOM 2365 CB ASN A 996 13.791 39.042 29.372 1.00 63.63 A C\nATOM 2366 CG ASN A 996 13.744 39.179 30.887 1.00 74.59 A C\nATOM 2367 OD1 ASN A 996 12.766 39.689 31.448 1.00 68.42 A O\nATOM 2368 ND2 ASN A 996 14.799 38.723 31.558 1.00 60.65 A N\nATOM 2369 N PHE A 997 12.862 37.923 26.570 1.00 67.63 A N\nATOM 2370 CA PHE A 997 13.005 37.907 25.112 1.00 45.42 A C\nATOM 2371 C PHE A 997 11.723 38.287 24.381 1.00 51.92 A C\nATOM 2372 O PHE A 997 11.767 39.103 23.461 1.00 62.38 A O\nATOM 2373 CB PHE A 997 13.574 36.568 24.597 1.00 55.03 A C\nATOM 2374 CG PHE A 997 14.234 36.683 23.247 1.00 45.20 A C\nATOM 2375 CD1 PHE A 997 13.478 36.619 22.079 1.00 41.23 A C\nATOM 2376 CD2 PHE A 997 15.601 36.904 23.143 1.00 48.66 A C\nATOM 2377 CE1 PHE A 997 14.070 36.757 20.831 1.00 36.44 A C\nATOM 2378 CE2 PHE A 997 16.208 37.047 21.903 1.00 48.46 A C\nATOM 2379 CZ PHE A 997 15.445 36.979 20.742 1.00 37.79 A C\nATOM 2380 N TYR A 998 10.589 37.715 24.789 1.00 43.98 A N\nATOM 2381 CA TYR A 998 9.319 37.981 24.111 1.00 50.06 A C\nATOM 2382 C TYR A 998 8.932 39.466 24.207 1.00 52.66 A C\nATOM 2383 O TYR A 998 8.694 40.110 23.181 1.00 50.37 A O\nATOM 2384 CB TYR A 998 8.182 37.087 24.631 1.00 50.26 A C\nATOM 2385 CG TYR A 998 6.861 37.329 23.917 1.00 53.59 A C\nATOM 2386 CD1 TYR A 998 6.503 36.573 22.808 1.00 65.72 A C\nATOM 2387 CD2 TYR A 998 5.975 38.320 24.349 1.00 66.46 A C\nATOM 2388 CE1 TYR A 998 5.305 36.785 22.146 1.00 71.54 A C\nATOM 2389 CE2 TYR A 998 4.776 38.545 23.691 1.00 67.06 A C\nATOM 2390 CZ TYR A 998 4.445 37.775 22.590 1.00 81.38 A C\nATOM 2391 OH TYR A 998 3.255 37.987 21.927 1.00 83.86 A O\nATOM 2392 N ARG A 999 8.874 39.991 25.432 1.00 56.42 A N\nATOM 2393 CA ARG A 999 8.503 41.399 25.661 1.00 66.76 A C\nATOM 2394 C ARG A 999 9.413 42.378 24.905 1.00 72.09 A C\nATOM 2395 O ARG A 999 8.908 43.316 24.264 1.00 54.14 A O\nATOM 2396 CB ARG A 999 8.470 41.731 27.157 1.00 75.45 A C\nATOM 2397 CG ARG A 999 7.216 41.268 27.883 1.00 74.94 A C\nATOM 2398 CD ARG A 999 7.080 41.993 29.214 1.00 92.57 A C\nATOM 2399 NE ARG A 999 5.868 41.637 29.954 1.00100.40 A N\nATOM 2400 CZ ARG A 999 4.684 42.235 29.815 1.00 91.52 A C\nATOM 2401 NH1 ARG A 999 3.653 41.834 30.548 1.00 82.09 A N\nATOM 2402 NH2 ARG A 999 4.521 43.229 28.948 1.00 73.74 A N\nATOM 2403 N ALA A1000 10.733 42.126 24.981 1.00 57.15 A N\nATOM 2404 CA ALA A1000 11.789 42.855 24.248 1.00 68.38 A C\nATOM 2405 C ALA A1000 11.556 42.981 22.738 1.00 71.95 A C\nATOM 2406 O ALA A1000 12.022 43.944 22.112 1.00 65.03 A O\nATOM 2407 CB ALA A1000 13.165 42.217 24.502 1.00 40.39 A C\nATOM 2408 N LEU A1001 10.858 42.001 22.161 1.00 46.21 A N\nATOM 2409 CA LEU A1001 10.599 41.970 20.736 1.00 40.49 A C\nATOM 2410 C LEU A1001 9.259 42.576 20.348 1.00 53.57 A C\nATOM 2411 O LEU A1001 9.165 43.282 19.337 1.00 53.84 A O\nATOM 2412 CB LEU A1001 10.631 40.517 20.238 1.00 45.77 A C\nATOM 2413 CG LEU A1001 11.848 40.057 19.447 1.00 44.23 A C\nATOM 2414 CD1 LEU A1001 13.080 40.042 20.339 1.00 48.87 A C\nATOM 2415 CD2 LEU A1001 11.594 38.682 18.855 1.00 41.26 A C\nATOM 2416 N MET A1002 8.227 42.280 21.138 1.00 53.10 A N\nATOM 2417 CA MET A1002 6.840 42.522 20.706 1.00 62.26 A C\nATOM 2418 C MET A1002 6.179 43.786 21.256 1.00 69.68 A C\nATOM 2419 O MET A1002 5.263 44.326 20.625 1.00 61.34 A O\nATOM 2420 CB MET A1002 5.961 41.304 21.002 1.00 58.73 A C\nATOM 2421 CG MET A1002 6.454 39.993 20.406 1.00 69.22 A C\nATOM 2422 SD MET A1002 6.912 40.077 18.661 1.00 66.89 A S\nATOM 2423 CE MET A1002 5.350 40.495 17.883 1.00 72.08 A C\nATOM 2424 N ASP A1003 6.640 44.251 22.416 1.00 73.79 A N\nATOM 2425 CA ASP A1003 6.024 45.404 23.095 1.00 93.71 A C\nATOM 2426 C ASP A1003 6.280 46.765 22.430 1.00 87.67 A C\nATOM 2427 O ASP A1003 5.575 47.736 22.721 1.00 88.50 A O\nATOM 2428 CB ASP A1003 6.420 45.449 24.578 1.00 89.49 A C\nATOM 2429 CG ASP A1003 5.643 44.452 25.426 1.00 94.17 A C\nATOM 2430 OD1 ASP A1003 5.332 43.344 24.936 1.00 89.80 A O\nATOM 2431 OD2 ASP A1003 5.350 44.779 26.596 1.00109.80 A O\nATOM 2432 N GLU A1004 7.276 46.830 21.546 1.00 85.41 A N\nATOM 2433 CA GLU A1004 7.565 48.046 20.781 1.00 93.45 A C\nATOM 2434 C GLU A1004 6.314 48.554 20.060 1.00 91.45 A C\nATOM 2435 O GLU A1004 5.539 47.762 19.520 1.00 82.23 A O\nATOM 2436 CB GLU A1004 8.690 47.788 19.775 1.00 93.39 A C\nATOM 2437 CG GLU A1004 9.148 49.021 19.005 1.00 94.09 A C\nATOM 2438 CD GLU A1004 10.248 48.715 18.005 1.00101.52 A C\nATOM 2439 OE1 GLU A1004 10.530 49.583 17.147 1.00 80.73 A O\nATOM 2440 OE2 GLU A1004 10.832 47.611 18.072 1.00 81.92 A O\nATOM 2441 N GLU A1005 6.126 49.874 20.064 1.00 95.81 A N\nATOM 2442 CA GLU A1005 4.944 50.509 19.468 1.00104.88 A C\nATOM 2443 C GLU A1005 4.859 50.336 17.949 1.00106.59 A C\nATOM 2444 O GLU A1005 3.762 50.332 17.384 1.00111.84 A O\nATOM 2445 CB GLU A1005 4.872 51.991 19.851 1.00104.00 A C\nATOM 2446 CG GLU A1005 4.303 52.231 21.243 1.00107.89 A C\nATOM 2447 CD GLU A1005 4.496 53.654 21.742 1.00110.98 A C\nATOM 2448 OE1 GLU A1005 4.178 53.906 22.925 1.00 95.43 A O\nATOM 2449 OE2 GLU A1005 4.963 54.518 20.966 1.00103.24 A O\nATOM 2450 N ASP A1006 6.016 50.190 17.301 1.00117.69 A N\nATOM 2451 CA ASP A1006 6.085 49.910 15.862 1.00122.83 A C\nATOM 2452 C ASP A1006 5.346 48.617 15.502 1.00114.70 A C\nATOM 2453 O ASP A1006 4.738 48.520 14.432 1.00108.57 A O\nATOM 2454 CB ASP A1006 7.541 49.857 15.382 1.00123.65 A C\nATOM 2455 CG ASP A1006 8.165 51.241 15.222 1.00120.44 A C\nATOM 2456 OD1 ASP A1006 7.426 52.226 15.000 1.00108.22 A O\nATOM 2457 OD2 ASP A1006 9.407 51.342 15.307 1.00108.51 A O\nATOM 2458 N MET A1007 5.403 47.637 16.405 1.00 95.23 A N\nATOM 2459 CA MET A1007 4.582 46.431 16.311 1.00 90.94 A C\nATOM 2460 C MET A1007 3.162 46.781 16.768 1.00 99.19 A C\nATOM 2461 O MET A1007 2.757 46.435 17.880 1.00109.79 A O\nATOM 2462 CB MET A1007 5.163 45.292 17.172 1.00 83.16 A C\nATOM 2463 CG MET A1007 6.685 45.153 17.169 1.00 67.00 A C\nATOM 2464 SD MET A1007 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OD2 ASP A1009 -3.754 46.668 17.231 1.00113.63 A O\nATOM 2482 N VAL A1010 -0.985 43.353 14.957 1.00 93.07 A N\nATOM 2483 CA VAL A1010 -0.383 42.257 14.187 1.00 80.23 A C\nATOM 2484 C VAL A1010 -1.136 40.925 14.278 1.00 79.25 A C\nATOM 2485 O VAL A1010 -1.857 40.676 15.248 1.00 78.35 A O\nATOM 2486 CB VAL A1010 1.103 42.050 14.572 1.00 82.37 A C\nATOM 2487 CG1 VAL A1010 1.915 43.299 14.251 1.00 87.87 A C\nATOM 2488 CG2 VAL A1010 1.248 41.678 16.045 1.00 79.77 A C\nATOM 2489 N VAL A1011 -0.963 40.087 13.251 1.00 68.99 A N\nATOM 2490 CA VAL A1011 -1.523 38.727 13.204 1.00 64.51 A C\nATOM 2491 C VAL A1011 -0.404 37.704 12.973 1.00 77.21 A C\nATOM 2492 O VAL A1011 0.322 37.780 11.976 1.00 67.63 A O\nATOM 2493 CB VAL A1011 -2.604 38.567 12.100 1.00 69.31 A C\nATOM 2494 CG1 VAL A1011 -3.068 37.117 11.995 1.00 73.03 A C\nATOM 2495 CG2 VAL A1011 -3.800 39.476 12.359 1.00 60.85 A C\nATOM 2496 N ASP A1012 -0.283 36.751 13.898 1.00 78.10 A N\nATOM 2497 CA ASP A1012 0.709 35.675 13.829 1.00 78.78 A 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C\nATOM 2515 OD1 ASP A1014 2.458 29.709 14.454 1.00 96.46 A O\nATOM 2516 OD2 ASP A1014 2.546 29.131 12.339 1.00 92.15 A O\nATOM 2517 N GLU A1015 -1.762 32.013 12.255 1.00 69.63 A N\nATOM 2518 CA GLU A1015 -3.169 32.406 12.205 1.00 84.01 A C\nATOM 2519 C GLU A1015 -3.563 32.965 10.830 1.00 81.26 A C\nATOM 2520 O GLU A1015 -4.711 32.817 10.401 1.00 75.65 A O\nATOM 2521 CB GLU A1015 -3.466 33.432 13.304 1.00 89.15 A C\nATOM 2522 CG GLU A1015 -4.941 33.592 13.645 1.00106.04 A C\nATOM 2523 CD GLU A1015 -5.193 34.639 14.717 1.00119.25 A C\nATOM 2524 OE1 GLU A1015 -4.251 34.982 15.465 1.00124.44 A O\nATOM 2525 OE2 GLU A1015 -6.342 35.119 14.814 1.00124.84 A O\nATOM 2526 N TYR A1016 -2.609 33.605 10.154 1.00 71.06 A N\nATOM 2527 CA TYR A1016 -2.825 34.180 8.825 1.00 72.33 A C\nATOM 2528 C TYR A1016 -2.791 33.132 7.709 1.00 74.97 A C\nATOM 2529 O TYR A1016 -3.570 33.223 6.756 1.00 81.17 A O\nATOM 2530 CB TYR A1016 -1.810 35.297 8.549 1.00 84.93 A C\nATOM 2531 CG TYR A1016 -1.665 35.681 7.088 1.00 86.99 A C\nATOM 2532 CD1 TYR A1016 -0.805 34.974 6.243 1.00 91.38 A C\nATOM 2533 CD2 TYR A1016 -2.379 36.754 6.552 1.00 79.32 A C\nATOM 2534 CE1 TYR A1016 -0.668 35.316 4.908 1.00 95.57 A C\nATOM 2535 CE2 TYR A1016 -2.244 37.108 5.217 1.00 82.46 A C\nATOM 2536 CZ TYR A1016 -1.387 36.385 4.400 1.00 97.13 A C\nATOM 2537 OH TYR A1016 -1.236 36.717 3.072 1.00 93.34 A O\nATOM 2538 N LEU A1017 -1.889 32.157 7.823 1.00 79.31 A N\nATOM 2539 CA LEU A1017 -1.752 31.089 6.826 1.00 78.37 A C\nATOM 2540 C LEU A1017 -2.418 29.794 7.290 1.00 79.78 A C\nATOM 2541 O LEU A1017 -3.584 29.532 6.982 1.00 86.61 A O\nATOM 2542 CB LEU A1017 -0.272 30.850 6.492 1.00 96.14 A C\nATOM 2543 CG LEU A1017 0.143 29.601 5.697 1.00116.26 A C\nATOM 2544 CD1 LEU A1017 -0.313 29.652 4.243 1.00121.68 A C\nATOM 2545 CD2 LEU A1017 1.648 29.383 5.783 1.00110.27 A C\nEND\n",
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+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_4 and C_20\nREMARK 2 A between atoms: C_20 and N_21\nREMARK 3 A between atoms: C_22 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK 5 A between atoms: C_26 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.042 32.283 12.552 0.00 0.00 +0.190 C \nATOM 2 N UNL 1 18.579 32.623 12.648 0.00 0.00 +0.236 N \nATOM 3 C UNL 1 18.084 33.395 11.436 0.00 0.00 +0.136 C \nATOM 4 C UNL 1 16.559 33.481 11.490 0.00 0.00 +0.052 C \nATOM 5 C UNL 1 16.084 34.131 12.795 0.00 0.00 +0.024 C \nATOM 6 C UNL 1 16.613 33.400 14.036 0.00 0.00 +0.069 C \nATOM 7 C UNL 1 18.183 33.257 13.992 0.00 0.00 +0.076 C \nATOM 8 C UNL 1 18.999 34.568 14.281 0.00 0.00 +0.092 C \nATOM 9 C UNL 1 18.424 35.291 15.447 0.00 0.00 -0.017 C \nATOM 10 C UNL 1 18.920 36.251 16.297 0.00 0.00 +0.090 C \nATOM 11 N UNL 1 17.915 36.584 17.185 0.00 0.00 -0.349 N \nATOM 12 C UNL 1 16.780 35.842 16.926 0.00 0.00 +0.049 C \nATOM 13 C UNL 1 15.509 35.793 17.507 0.00 0.00 +0.026 C \nATOM 14 C UNL 1 14.579 34.904 16.940 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 14.900 34.097 15.841 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 16.177 34.151 15.274 0.00 0.00 -0.030 C \nATOM 17 C UNL 1 17.095 35.040 15.846 0.00 0.00 +0.007 C \nATOM 18 C UNL 1 18.028 37.587 18.222 0.00 0.00 +0.149 C \nATOM 19 H UNL 1 18.101 31.711 12.627 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 4 20\nATOM 20 C UNL 1 15.986 34.178 10.244 0.00 0.00 +0.116 C \nBRANCH 20 21\nATOM 21 N UNL 1 15.954 33.359 9.056 0.00 0.00 -0.281 N \nATOM 22 C UNL 1 15.463 33.834 7.873 0.00 0.00 +0.401 C \nATOM 23 O UNL 1 14.805 34.851 7.743 0.00 0.00 -0.226 OA\nATOM 24 H UNL 1 16.592 32.585 8.915 0.00 0.00 +0.152 HD\nBRANCH 22 25\nATOM 25 O UNL 1 15.881 33.018 6.883 0.00 0.00 -0.446 OA\nBRANCH 25 26\nATOM 26 C UNL 1 16.484 31.802 7.340 0.00 0.00 +0.269 C \nBRANCH 26 27\nATOM 27 C UNL 1 15.653 30.645 6.843 0.00 0.00 -0.010 C \nATOM 28 C UNL 1 16.137 29.793 5.842 0.00 0.00 +0.007 C \nATOM 29 C UNL 1 15.371 28.714 5.396 0.00 0.00 +0.000 C \nATOM 30 C UNL 1 14.114 28.475 5.946 0.00 0.00 +0.000 C \nATOM 31 C UNL 1 13.621 29.312 6.944 0.00 0.00 +0.000 C \nATOM 32 C UNL 1 14.386 30.389 7.393 0.00 0.00 +0.007 C \nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 22 25\nENDBRANCH 20 21\nENDBRANCH 4 20\nTORSDOF 5\n",
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"type": "call_method"
},
{
@@ -35536,7 +38213,9 @@
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"kwargs": {
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+ "colorScheme": "chainindex",
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},
"methodName": "addRepresentation",
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@@ -35545,19 +38224,17 @@
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- "binary": false,
- "data": "data_3W32\n# \n_entry.id 3W32 \n# \n_audit_conform.dict_name mmcif_pdbx.dic \n_audit_conform.dict_version 5.281 \n_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic \n# \nloop_\n_database_2.database_id \n_database_2.database_code \nPDB 3W32 \nRCSB RCSB095823 \nWWPDB D_1000095823 \n# \nloop_\n_pdbx_database_related.db_name \n_pdbx_database_related.db_id \n_pdbx_database_related.details \n_pdbx_database_related.content_type \nPDB 3POZ . unspecified \nPDB 3W33 . unspecified \n# \n_pdbx_database_status.status_code REL \n_pdbx_database_status.entry_id 3W32 \n_pdbx_database_status.recvd_initial_deposition_date 2012-12-07 \n_pdbx_database_status.deposit_site PDBJ \n_pdbx_database_status.process_site PDBJ \n_pdbx_database_status.methods_development_category ? \n_pdbx_database_status.status_code_sf REL \n_pdbx_database_status.status_code_mr ? \n_pdbx_database_status.SG_entry ? \n_pdbx_database_status.status_code_cs ? \n_pdbx_database_status.pdb_format_compatible Y \n# \nloop_\n_audit_author.name \n_audit_author.pdbx_ordinal \n'Sogabe, S.' 1 \n'Kawakita, Y.' 2 \n# \n_citation.id primary \n_citation.title 'Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors' \n_citation.journal_abbrev Bioorg.Med.Chem. \n_citation.journal_volume 21 \n_citation.page_first 2250 \n_citation.page_last 2261 \n_citation.year 2013 \n_citation.journal_id_ASTM BMECEP \n_citation.country UK \n_citation.journal_id_ISSN 0968-0896 \n_citation.journal_id_CSD 1200 \n_citation.book_publisher ? \n_citation.pdbx_database_id_PubMed 23490150 \n_citation.pdbx_database_id_DOI 10.1016/j.bmc.2013.02.014 \n# \nloop_\n_citation_author.citation_id \n_citation_author.name \n_citation_author.ordinal \nprimary 'Kawakita, Y.' 1 \nprimary 'Seto, M.' 2 \nprimary 'Ohashi, T.' 3 \nprimary 'Tamura, T.' 4 \nprimary 'Yusa, T.' 5 \nprimary 'Miki, H.' 6 \nprimary 'Iwata, H.' 7 \nprimary 'Kamiguchi, H.' 8 \nprimary 'Tanaka, T.' 9 \nprimary 'Sogabe, S.' 10 \nprimary 'Ohta, Y.' 11 \nprimary 'Ishikawa, T.' 12 \n# \n_cell.entry_id 3W32 \n_cell.length_a 46.443 \n_cell.length_b 68.306 \n_cell.length_c 103.273 \n_cell.angle_alpha 90.00 \n_cell.angle_beta 90.00 \n_cell.angle_gamma 90.00 \n_cell.Z_PDB 4 \n_cell.pdbx_unique_axis ? \n_cell.length_a_esd ? \n_cell.length_b_esd ? \n_cell.length_c_esd ? \n_cell.angle_alpha_esd ? \n_cell.angle_beta_esd ? \n_cell.angle_gamma_esd ? \n# \n_symmetry.entry_id 3W32 \n_symmetry.space_group_name_H-M 'P 21 21 21' \n_symmetry.pdbx_full_space_group_name_H-M ? \n_symmetry.cell_setting ? \n_symmetry.Int_Tables_number 19 \n_symmetry.space_group_name_Hall ? \n# \nloop_\n_entity.id \n_entity.type \n_entity.src_method \n_entity.pdbx_description \n_entity.formula_weight \n_entity.pdbx_number_of_molecules \n_entity.pdbx_ec \n_entity.pdbx_mutation \n_entity.pdbx_fragment \n_entity.details \n1 polymer man 'Epidermal growth factor receptor' 37563.457 1 2.7.10.1 ? 'Kinase domain, UNP residues 696-1022' ? \n2 non-polymer syn \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n581.994 1 ? ? ? ? \n3 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? \n4 water nat water 18.015 82 ? ? ? ? \n# \n_entity_name_com.entity_id 1 \n_entity_name_com.name 'Proto-oncogene c-ErbB-1, Receptor tyrosine-protein kinase erbB-1' \n# \n_entity_poly.entity_id 1 \n_entity_poly.type 'polypeptide(L)' \n_entity_poly.nstd_linkage no \n_entity_poly.nstd_monomer no \n_entity_poly.pdbx_seq_one_letter_code \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_seq_one_letter_code_can \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_strand_id A \n_entity_poly.pdbx_target_identifier ? \n# \nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.num \n_entity_poly_seq.mon_id \n_entity_poly_seq.hetero \n1 1 GLY n \n1 2 ALA n \n1 3 MET n \n1 4 GLY n \n1 5 GLU n \n1 6 ALA n \n1 7 PRO n \n1 8 ASN n \n1 9 GLN n \n1 10 ALA n \n1 11 LEU n \n1 12 LEU n \n1 13 ARG n \n1 14 ILE n \n1 15 LEU n \n1 16 LYS n \n1 17 GLU n \n1 18 THR n \n1 19 GLU n \n1 20 PHE n \n1 21 LYS n \n1 22 LYS n \n1 23 ILE n \n1 24 LYS n \n1 25 VAL n \n1 26 LEU n \n1 27 GLY n \n1 28 SER n \n1 29 GLY n \n1 30 ALA n \n1 31 PHE n \n1 32 GLY n \n1 33 THR n \n1 34 VAL n \n1 35 TYR n \n1 36 LYS n \n1 37 GLY n \n1 38 LEU n \n1 39 TRP n \n1 40 ILE n \n1 41 PRO n \n1 42 GLU n \n1 43 GLY n \n1 44 GLU n \n1 45 LYS n \n1 46 VAL n \n1 47 LYS n \n1 48 ILE n \n1 49 PRO n \n1 50 VAL n \n1 51 ALA n \n1 52 ILE n \n1 53 LYS n \n1 54 GLU n \n1 55 LEU n \n1 56 ARG n \n1 57 GLU n \n1 58 ALA n \n1 59 THR n \n1 60 SER n \n1 61 PRO n \n1 62 LYS n \n1 63 ALA n \n1 64 ASN n \n1 65 LYS n \n1 66 GLU n \n1 67 ILE n \n1 68 LEU n \n1 69 ASP n \n1 70 GLU n \n1 71 ALA n \n1 72 TYR n \n1 73 VAL n \n1 74 MET n \n1 75 ALA n \n1 76 SER n \n1 77 VAL n \n1 78 ASP n \n1 79 ASN n \n1 80 PRO n \n1 81 HIS n \n1 82 VAL n \n1 83 CYS n \n1 84 ARG n \n1 85 LEU n \n1 86 LEU n \n1 87 GLY n \n1 88 ILE n \n1 89 CYS n \n1 90 LEU n \n1 91 THR n \n1 92 SER n \n1 93 THR n \n1 94 VAL n \n1 95 GLN n \n1 96 LEU n \n1 97 ILE n \n1 98 THR n \n1 99 GLN n \n1 100 LEU n \n1 101 MET n \n1 102 PRO n \n1 103 PHE n \n1 104 GLY n \n1 105 CYS n \n1 106 LEU n \n1 107 LEU n \n1 108 ASP n \n1 109 TYR n \n1 110 VAL n \n1 111 ARG n \n1 112 GLU n \n1 113 HIS n \n1 114 LYS n \n1 115 ASP n \n1 116 ASN n \n1 117 ILE n \n1 118 GLY n \n1 119 SER n \n1 120 GLN n \n1 121 TYR n \n1 122 LEU n \n1 123 LEU n \n1 124 ASN n \n1 125 TRP n \n1 126 CYS n \n1 127 VAL n \n1 128 GLN n \n1 129 ILE n \n1 130 ALA n \n1 131 LYS n \n1 132 GLY n \n1 133 MET n \n1 134 ASN n \n1 135 TYR n \n1 136 LEU n \n1 137 GLU n \n1 138 ASP n \n1 139 ARG n \n1 140 ARG n \n1 141 LEU n \n1 142 VAL n \n1 143 HIS n \n1 144 ARG n \n1 145 ASP n \n1 146 LEU n \n1 147 ALA n \n1 148 ALA n \n1 149 ARG n \n1 150 ASN n \n1 151 VAL n \n1 152 LEU n \n1 153 VAL n \n1 154 LYS n \n1 155 THR n \n1 156 PRO n \n1 157 GLN n \n1 158 HIS n \n1 159 VAL n \n1 160 LYS n \n1 161 ILE n \n1 162 THR n \n1 163 ASP n \n1 164 PHE n \n1 165 GLY n \n1 166 LEU n \n1 167 ALA n \n1 168 LYS n \n1 169 LEU n \n1 170 LEU n \n1 171 GLY n \n1 172 ALA n \n1 173 GLU n \n1 174 GLU n \n1 175 LYS n \n1 176 GLU n \n1 177 TYR n \n1 178 HIS n \n1 179 ALA n \n1 180 GLU n \n1 181 GLY n \n1 182 GLY n \n1 183 LYS n \n1 184 VAL n \n1 185 PRO n \n1 186 ILE n \n1 187 LYS n \n1 188 TRP n \n1 189 MET n \n1 190 ALA n \n1 191 LEU n \n1 192 GLU n \n1 193 SER n \n1 194 ILE n \n1 195 LEU n \n1 196 HIS n \n1 197 ARG n \n1 198 ILE n \n1 199 TYR n \n1 200 THR n \n1 201 HIS n \n1 202 GLN n \n1 203 SER n \n1 204 ASP n \n1 205 VAL n \n1 206 TRP n \n1 207 SER n \n1 208 TYR n \n1 209 GLY n \n1 210 VAL n \n1 211 THR n \n1 212 VAL n \n1 213 TRP n \n1 214 GLU n \n1 215 LEU n \n1 216 MET n \n1 217 THR n \n1 218 PHE n \n1 219 GLY n \n1 220 SER n \n1 221 LYS n \n1 222 PRO n \n1 223 TYR n \n1 224 ASP n \n1 225 GLY n \n1 226 ILE n \n1 227 PRO n \n1 228 ALA n \n1 229 SER n \n1 230 GLU n \n1 231 ILE n \n1 232 SER n \n1 233 SER n \n1 234 ILE n \n1 235 LEU n \n1 236 GLU n \n1 237 LYS n \n1 238 GLY n \n1 239 GLU n \n1 240 ARG n \n1 241 LEU n \n1 242 PRO n \n1 243 GLN n \n1 244 PRO n \n1 245 PRO n \n1 246 ILE n \n1 247 CYS n \n1 248 THR n \n1 249 ILE n \n1 250 ASP n \n1 251 VAL n \n1 252 TYR n \n1 253 MET n \n1 254 ILE n \n1 255 MET n \n1 256 VAL n \n1 257 LYS n \n1 258 CYS n \n1 259 TRP n \n1 260 MET n \n1 261 ILE n \n1 262 ASP n \n1 263 ALA n \n1 264 ASP n \n1 265 SER n \n1 266 ARG n \n1 267 PRO n \n1 268 LYS n \n1 269 PHE n \n1 270 ARG n \n1 271 GLU n \n1 272 LEU n \n1 273 ILE n \n1 274 ILE n \n1 275 GLU n \n1 276 PHE n \n1 277 SER n \n1 278 LYS n \n1 279 MET n \n1 280 ALA n \n1 281 ARG n \n1 282 ASP n \n1 283 PRO n \n1 284 GLN n \n1 285 ARG n \n1 286 TYR n \n1 287 LEU n \n1 288 VAL n \n1 289 ILE n \n1 290 GLN n \n1 291 GLY n \n1 292 ASP n \n1 293 GLU n \n1 294 ARG n \n1 295 MET n \n1 296 HIS n \n1 297 LEU n \n1 298 PRO n \n1 299 SER n \n1 300 PRO n \n1 301 THR n \n1 302 ASP n \n1 303 SER n \n1 304 ASN n \n1 305 PHE n \n1 306 TYR n \n1 307 ARG n \n1 308 ALA n \n1 309 LEU n \n1 310 MET n \n1 311 ASP n \n1 312 GLU n \n1 313 GLU n \n1 314 ASP n \n1 315 MET n \n1 316 ASP n \n1 317 ASP n \n1 318 VAL n \n1 319 VAL n \n1 320 ASP n \n1 321 ALA n \n1 322 ASP n \n1 323 GLU n \n1 324 TYR n \n1 325 LEU n \n1 326 ILE n \n1 327 PRO n \n1 328 GLN n \n1 329 GLN n \n1 330 GLY n \n# \n_entity_src_gen.entity_id 1 \n_entity_src_gen.pdbx_src_id 1 \n_entity_src_gen.pdbx_alt_source_flag sample \n_entity_src_gen.pdbx_seq_type ? \n_entity_src_gen.pdbx_beg_seq_num ? \n_entity_src_gen.pdbx_end_seq_num ? \n_entity_src_gen.gene_src_common_name human \n_entity_src_gen.gene_src_genus ? \n_entity_src_gen.pdbx_gene_src_gene 'EGFR, ERBB, ERBB1, HER1' \n_entity_src_gen.gene_src_species ? \n_entity_src_gen.gene_src_strain ? \n_entity_src_gen.gene_src_tissue ? \n_entity_src_gen.gene_src_tissue_fraction ? \n_entity_src_gen.gene_src_details ? \n_entity_src_gen.pdbx_gene_src_fragment ? \n_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' \n_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 \n_entity_src_gen.pdbx_gene_src_variant ? \n_entity_src_gen.pdbx_gene_src_cell_line ? \n_entity_src_gen.pdbx_gene_src_atcc ? \n_entity_src_gen.pdbx_gene_src_organ ? \n_entity_src_gen.pdbx_gene_src_organelle ? \n_entity_src_gen.pdbx_gene_src_cell ? \n_entity_src_gen.pdbx_gene_src_cellular_location ? \n_entity_src_gen.host_org_common_name ? \n_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' \n_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 \n_entity_src_gen.host_org_genus ? \n_entity_src_gen.pdbx_host_org_gene ? \n_entity_src_gen.pdbx_host_org_organ ? \n_entity_src_gen.host_org_species ? \n_entity_src_gen.pdbx_host_org_tissue ? \n_entity_src_gen.pdbx_host_org_tissue_fraction ? \n_entity_src_gen.pdbx_host_org_strain ? \n_entity_src_gen.pdbx_host_org_variant ? \n_entity_src_gen.pdbx_host_org_cell_line Sf9 \n_entity_src_gen.pdbx_host_org_atcc ? \n_entity_src_gen.pdbx_host_org_culture_collection ? \n_entity_src_gen.pdbx_host_org_cell ? \n_entity_src_gen.pdbx_host_org_organelle ? \n_entity_src_gen.pdbx_host_org_cellular_location ? \n_entity_src_gen.pdbx_host_org_vector_type baculovirus \n_entity_src_gen.pdbx_host_org_vector ? \n_entity_src_gen.host_org_details ? \n_entity_src_gen.expression_system_id ? \n_entity_src_gen.plasmid_name pFastBac1 \n_entity_src_gen.plasmid_details ? \n_entity_src_gen.pdbx_description ? \n# \n_struct_ref.id 1 \n_struct_ref.db_name UNP \n_struct_ref.db_code EGFR_HUMAN \n_struct_ref.pdbx_db_accession P00533 \n_struct_ref.entity_id 1 \n_struct_ref.pdbx_seq_one_letter_code \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_struct_ref.pdbx_align_begin 696 \n_struct_ref.pdbx_db_isoform ? \n# \n_struct_ref_seq.align_id 1 \n_struct_ref_seq.ref_id 1 \n_struct_ref_seq.pdbx_PDB_id_code 3W32 \n_struct_ref_seq.pdbx_strand_id A \n_struct_ref_seq.seq_align_beg 4 \n_struct_ref_seq.pdbx_seq_align_beg_ins_code ? \n_struct_ref_seq.seq_align_end 330 \n_struct_ref_seq.pdbx_seq_align_end_ins_code ? \n_struct_ref_seq.pdbx_db_accession P00533 \n_struct_ref_seq.db_align_beg 696 \n_struct_ref_seq.pdbx_db_align_beg_ins_code ? \n_struct_ref_seq.db_align_end 1022 \n_struct_ref_seq.pdbx_db_align_end_ins_code ? \n_struct_ref_seq.pdbx_auth_seq_align_beg 696 \n_struct_ref_seq.pdbx_auth_seq_align_end 1022 \n# \nloop_\n_struct_ref_seq_dif.align_id \n_struct_ref_seq_dif.pdbx_pdb_id_code \n_struct_ref_seq_dif.mon_id \n_struct_ref_seq_dif.pdbx_pdb_strand_id \n_struct_ref_seq_dif.seq_num \n_struct_ref_seq_dif.pdbx_pdb_ins_code \n_struct_ref_seq_dif.pdbx_seq_db_name \n_struct_ref_seq_dif.pdbx_seq_db_accession_code \n_struct_ref_seq_dif.db_mon_id \n_struct_ref_seq_dif.pdbx_seq_db_seq_num \n_struct_ref_seq_dif.details \n_struct_ref_seq_dif.pdbx_auth_seq_num \n_struct_ref_seq_dif.pdbx_ordinal \n1 3W32 GLY A 1 ? UNP P00533 ? ? 'EXPRESSION TAG' 693 1 \n1 3W32 ALA A 2 ? UNP P00533 ? ? 'EXPRESSION TAG' 694 2 \n1 3W32 MET A 3 ? UNP P00533 ? ? 'EXPRESSION TAG' 695 3 \n# \nloop_\n_chem_comp.id \n_chem_comp.type \n_chem_comp.mon_nstd_flag \n_chem_comp.name \n_chem_comp.pdbx_synonyms \n_chem_comp.formula \n_chem_comp.formula_weight \nALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 \nARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 \nASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 \nASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 \nCYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 \nGLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 \nGLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 \nGLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 \nHIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 \nHOH non-polymer . WATER ? 'H2 O' 18.015 \nILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 \nLEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 \nLYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 \nMET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 \nPHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 \nPRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 \nSER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 \nSO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 \nTHR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 \nTRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 \nTYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 \nVAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 \nW32 non-polymer . \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n? 'C25 H23 Cl F3 N5 O4 S' 581.994 \n# \n_exptl.entry_id 3W32 \n_exptl.method 'X-RAY DIFFRACTION' \n_exptl.crystals_number 1 \n# \n_exptl_crystal.id 1 \n_exptl_crystal.density_meas ? \n_exptl_crystal.density_Matthews 2.18 \n_exptl_crystal.density_percent_sol 43.59 \n_exptl_crystal.description ? \n_exptl_crystal.F_000 ? \n_exptl_crystal.preparation ? \n# \n_exptl_crystal_grow.crystal_id 1 \n_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' \n_exptl_crystal_grow.temp 298 \n_exptl_crystal_grow.temp_details ? \n_exptl_crystal_grow.pH 5.5 \n_exptl_crystal_grow.pdbx_pH_range ? \n_exptl_crystal_grow.pdbx_details \n'0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K' \n# \n_diffrn.id 1 \n_diffrn.ambient_temp 100 \n_diffrn.ambient_temp_details ? \n_diffrn.crystal_id 1 \n# \n_diffrn_detector.diffrn_id 1 \n_diffrn_detector.detector CCD \n_diffrn_detector.type 'ADSC QUANTUM 315r' \n_diffrn_detector.pdbx_collection_date 2011-12-21 \n_diffrn_detector.details ? \n# \n_diffrn_radiation.diffrn_id 1 \n_diffrn_radiation.wavelength_id 1 \n_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M \n_diffrn_radiation.monochromator ? \n_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' \n_diffrn_radiation.pdbx_scattering_type x-ray \n# \n_diffrn_radiation_wavelength.id 1 \n_diffrn_radiation_wavelength.wavelength 0.97649 \n_diffrn_radiation_wavelength.wt 1.0 \n# \n_diffrn_source.diffrn_id 1 \n_diffrn_source.source SYNCHROTRON \n_diffrn_source.type 'ALS BEAMLINE 5.0.3' \n_diffrn_source.pdbx_synchrotron_site ALS \n_diffrn_source.pdbx_synchrotron_beamline 5.0.3 \n_diffrn_source.pdbx_wavelength ? \n_diffrn_source.pdbx_wavelength_list 0.97649 \n# \n_reflns.pdbx_diffrn_id 1 \n_reflns.pdbx_ordinal 1 \n_reflns.entry_id 3W32 \n_reflns.observed_criterion_sigma_I ? \n_reflns.observed_criterion_sigma_F ? \n_reflns.d_resolution_low 50 \n_reflns.d_resolution_high 1.8 \n_reflns.number_obs 30817 \n_reflns.number_all ? \n_reflns.percent_possible_obs 99.7 \n_reflns.pdbx_Rmerge_I_obs ? \n_reflns.pdbx_Rsym_value 0.054 \n_reflns.pdbx_netI_over_sigmaI 26.1 \n_reflns.B_iso_Wilson_estimate ? \n_reflns.pdbx_redundancy 4.8 \n_reflns.R_free_details ? \n_reflns.limit_h_max ? \n_reflns.limit_h_min ? \n_reflns.limit_k_max ? \n_reflns.limit_k_min ? \n_reflns.limit_l_max ? \n_reflns.limit_l_min ? \n_reflns.observed_criterion_F_max ? \n_reflns.observed_criterion_F_min ? \n_reflns.pdbx_chi_squared ? \n_reflns.pdbx_scaling_rejects ? \n# \n_reflns_shell.pdbx_diffrn_id 1 \n_reflns_shell.pdbx_ordinal 1 \n_reflns_shell.d_res_high 1.8 \n_reflns_shell.d_res_low 1.83 \n_reflns_shell.percent_possible_all 99.9 \n_reflns_shell.Rmerge_I_obs ? \n_reflns_shell.pdbx_Rsym_value 0.898 \n_reflns_shell.meanI_over_sigI_obs 2.0 \n_reflns_shell.pdbx_redundancy 4.9 \n_reflns_shell.percent_possible_obs ? \n_reflns_shell.number_unique_all ? \n_reflns_shell.number_measured_all ? \n_reflns_shell.number_measured_obs ? \n_reflns_shell.number_unique_obs ? \n_reflns_shell.pdbx_chi_squared ? \n# \n_refine.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine.entry_id 3W32 \n_refine.pdbx_diffrn_id 1 \n_refine.pdbx_TLS_residual_ADP_flag ? \n_refine.ls_number_reflns_obs 29096 \n_refine.ls_number_reflns_all ? \n_refine.pdbx_ls_sigma_I ? \n_refine.pdbx_ls_sigma_F . \n_refine.pdbx_data_cutoff_high_absF ? \n_refine.pdbx_data_cutoff_low_absF ? \n_refine.pdbx_data_cutoff_high_rms_absF ? \n_refine.ls_d_res_low 40.00 \n_refine.ls_d_res_high 1.80 \n_refine.ls_percent_reflns_obs 98.97 \n_refine.ls_R_factor_obs 0.20219 \n_refine.ls_R_factor_all ? \n_refine.ls_R_factor_R_work 0.20045 \n_refine.ls_R_factor_R_free 0.23552 \n_refine.ls_R_factor_R_free_error ? \n_refine.ls_R_factor_R_free_error_details ? \n_refine.ls_percent_reflns_R_free 5.0 \n_refine.ls_number_reflns_R_free 1539 \n_refine.ls_number_parameters ? \n_refine.ls_number_restraints ? \n_refine.occupancy_min ? \n_refine.occupancy_max ? \n_refine.correlation_coeff_Fo_to_Fc 0.962 \n_refine.correlation_coeff_Fo_to_Fc_free 0.943 \n_refine.B_iso_mean 46.448 \n_refine.aniso_B[1][1] 3.86 \n_refine.aniso_B[2][2] 0.11 \n_refine.aniso_B[3][3] -3.97 \n_refine.aniso_B[1][2] -0.00 \n_refine.aniso_B[1][3] -0.00 \n_refine.aniso_B[2][3] -0.00 \n_refine.solvent_model_details MASK \n_refine.solvent_model_param_ksol ? \n_refine.solvent_model_param_bsol ? \n_refine.pdbx_solvent_vdw_probe_radii 1.40 \n_refine.pdbx_solvent_ion_probe_radii 0.80 \n_refine.pdbx_solvent_shrinkage_radii 0.80 \n_refine.pdbx_ls_cross_valid_method THROUGHOUT \n_refine.details ? \n_refine.pdbx_starting_model 1XKK \n_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' \n_refine.pdbx_isotropic_thermal_model ? \n_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' \n_refine.pdbx_stereochem_target_val_spec_case ? \n_refine.pdbx_R_Free_selection_details RANDOM \n_refine.pdbx_overall_ESU_R 0.141 \n_refine.pdbx_overall_ESU_R_Free 0.131 \n_refine.overall_SU_ML 0.103 \n_refine.pdbx_overall_phase_error ? \n_refine.overall_SU_B 6.930 \n_refine.overall_SU_R_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_Blow_DPI ? \n_refine.pdbx_overall_SU_R_free_Blow_DPI ? \n_refine.ls_redundancy_reflns_obs ? \n_refine.B_iso_min ? \n_refine.B_iso_max ? \n_refine.overall_SU_R_free ? \n_refine.ls_wR_factor_R_free ? \n_refine.ls_wR_factor_R_work ? \n_refine.overall_FOM_free_R_set ? \n_refine.overall_FOM_work_R_set ? \n# \n_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_hist.cycle_id LAST \n_refine_hist.pdbx_number_atoms_protein 2545 \n_refine_hist.pdbx_number_atoms_nucleic_acid 0 \n_refine_hist.pdbx_number_atoms_ligand 44 \n_refine_hist.number_atoms_solvent 82 \n_refine_hist.number_atoms_total 2671 \n_refine_hist.d_res_high 1.80 \n_refine_hist.d_res_low 40.00 \n# \nloop_\n_refine_ls_restr.type \n_refine_ls_restr.dev_ideal \n_refine_ls_restr.dev_ideal_target \n_refine_ls_restr.weight \n_refine_ls_restr.number \n_refine_ls_restr.pdbx_refine_id \n_refine_ls_restr.pdbx_restraint_function \nr_bond_refined_d 0.009 0.019 ? 2647 'X-RAY DIFFRACTION' ? \nr_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_angle_refined_deg 1.362 1.995 ? 3587 'X-RAY DIFFRACTION' ? \nr_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_1_deg 5.462 5.000 ? 316 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_2_deg 34.868 24.123 ? 114 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_3_deg 14.009 15.000 ? 481 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_4_deg 16.236 15.000 ? 16 'X-RAY DIFFRACTION' ? \nr_chiral_restr 0.092 0.200 ? 393 'X-RAY DIFFRACTION' ? \nr_gen_planes_refined 0.006 0.021 ? 2017 'X-RAY DIFFRACTION' ? \nr_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? \n# \n_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_ls_shell.pdbx_total_number_of_bins_used 20 \n_refine_ls_shell.d_res_high 1.805 \n_refine_ls_shell.d_res_low 1.852 \n_refine_ls_shell.number_reflns_R_work 2043 \n_refine_ls_shell.R_factor_R_work 0.307 \n_refine_ls_shell.percent_reflns_obs 95.73 \n_refine_ls_shell.R_factor_R_free 0.344 \n_refine_ls_shell.R_factor_R_free_error ? \n_refine_ls_shell.percent_reflns_R_free ? \n_refine_ls_shell.number_reflns_R_free 110 \n_refine_ls_shell.number_reflns_all ? \n_refine_ls_shell.R_factor_all ? \n_refine_ls_shell.redundancy_reflns_obs ? \n_refine_ls_shell.number_reflns_obs ? \n# \n_struct.entry_id 3W32 \n_struct.title 'EGFR kinase domain complexed with compound 20a' \n_struct.pdbx_descriptor 'Epidermal growth factor receptor (E.C.2.7.10.1)' \n_struct.pdbx_model_details ? \n_struct.pdbx_CASP_flag ? \n_struct.pdbx_model_type_details ? \n# \n_struct_keywords.entry_id 3W32 \n_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' \n_struct_keywords.text \n'ANTI-ONCOGENE, CELL CYCLE, DISEASE MUTATION, KINASE DOMAIN, RECEPTOR, TRANSFERASE-TRANSFERASE INHIBITOR complex' \n# \nloop_\n_struct_asym.id \n_struct_asym.pdbx_blank_PDB_chainid_flag \n_struct_asym.pdbx_modified \n_struct_asym.entity_id \n_struct_asym.details \nA N N 1 ? \nB N N 2 ? \nC N N 3 ? \nD N N 4 ? \n# \n_struct_biol.id 1 \n_struct_biol.details ? \n# \nloop_\n_struct_conf.conf_type_id \n_struct_conf.id \n_struct_conf.pdbx_PDB_helix_id \n_struct_conf.beg_label_comp_id \n_struct_conf.beg_label_asym_id \n_struct_conf.beg_label_seq_id \n_struct_conf.pdbx_beg_PDB_ins_code \n_struct_conf.end_label_comp_id \n_struct_conf.end_label_asym_id \n_struct_conf.end_label_seq_id \n_struct_conf.pdbx_end_PDB_ins_code \n_struct_conf.beg_auth_comp_id \n_struct_conf.beg_auth_asym_id \n_struct_conf.beg_auth_seq_id \n_struct_conf.end_auth_comp_id \n_struct_conf.end_auth_asym_id \n_struct_conf.end_auth_seq_id \n_struct_conf.pdbx_PDB_helix_class \n_struct_conf.details \n_struct_conf.pdbx_PDB_helix_length \nHELX_P HELX_P1 1 LYS A 16 ? THR A 18 ? LYS A 708 THR A 710 5 ? 3 \nHELX_P HELX_P2 2 ALA A 63 ? VAL A 77 ? ALA A 755 VAL A 769 1 ? 15 \nHELX_P HELX_P3 3 CYS A 105 ? LYS A 114 ? CYS A 797 LYS A 806 1 ? 10 \nHELX_P HELX_P4 4 ASP A 115 ? ILE A 117 ? ASP A 807 ILE A 809 5 ? 3 \nHELX_P HELX_P5 5 GLY A 118 ? ARG A 139 ? GLY A 810 ARG A 831 1 ? 22 \nHELX_P HELX_P6 6 ALA A 147 ? ARG A 149 ? ALA A 839 ARG A 841 5 ? 3 \nHELX_P HELX_P7 7 GLY A 165 ? LEU A 170 ? GLY A 857 LEU A 862 1 ? 6 \nHELX_P HELX_P8 8 GLU A 174 ? GLU A 180 ? GLU A 866 GLU A 872 1 ? 7 \nHELX_P HELX_P9 9 PRO A 185 ? MET A 189 ? PRO A 877 MET A 881 5 ? 5 \nHELX_P HELX_P10 10 ALA A 190 ? ARG A 197 ? ALA A 882 ARG A 889 1 ? 8 \nHELX_P HELX_P11 11 THR A 200 ? THR A 217 ? THR A 892 THR A 909 1 ? 18 \nHELX_P HELX_P12 12 PRO A 227 ? SER A 229 ? PRO A 919 SER A 921 5 ? 3 \nHELX_P HELX_P13 13 GLU A 230 ? LYS A 237 ? GLU A 922 LYS A 929 1 ? 8 \nHELX_P HELX_P14 14 THR A 248 ? TRP A 259 ? THR A 940 TRP A 951 1 ? 12 \nHELX_P HELX_P15 15 ASP A 262 ? ARG A 266 ? ASP A 954 ARG A 958 5 ? 5 \nHELX_P HELX_P16 16 LYS A 268 ? ALA A 280 ? LYS A 960 ALA A 972 1 ? 13 \nHELX_P HELX_P17 17 ASP A 282 ? LEU A 287 ? ASP A 974 LEU A 979 1 ? 6 \nHELX_P HELX_P18 18 GLY A 291 ? MET A 295 ? GLY A 983 MET A 987 5 ? 5 \nHELX_P HELX_P19 19 SER A 299 ? ASP A 302 ? SER A 991 ASP A 994 5 ? 4 \nHELX_P HELX_P20 20 SER A 303 ? ASP A 311 ? SER A 995 ASP A 1003 1 ? 9 \nHELX_P HELX_P21 21 ASP A 320 ? LEU A 325 ? ASP A 1012 LEU A 1017 1 ? 6 \n# \n_struct_conf_type.id HELX_P \n_struct_conf_type.criteria ? \n_struct_conf_type.reference ? \n# \nloop_\n_struct_sheet.id \n_struct_sheet.type \n_struct_sheet.number_strands \n_struct_sheet.details \nA ? 6 ? \nB ? 2 ? \n# \nloop_\n_struct_sheet_order.sheet_id \n_struct_sheet_order.range_id_1 \n_struct_sheet_order.range_id_2 \n_struct_sheet_order.offset \n_struct_sheet_order.sense \nA 1 2 ? parallel \nA 2 3 ? anti-parallel \nA 3 4 ? anti-parallel \nA 4 5 ? anti-parallel \nA 5 6 ? anti-parallel \nB 1 2 ? anti-parallel \n# \nloop_\n_struct_sheet_range.sheet_id \n_struct_sheet_range.id \n_struct_sheet_range.beg_label_comp_id \n_struct_sheet_range.beg_label_asym_id \n_struct_sheet_range.beg_label_seq_id \n_struct_sheet_range.pdbx_beg_PDB_ins_code \n_struct_sheet_range.end_label_comp_id \n_struct_sheet_range.end_label_asym_id \n_struct_sheet_range.end_label_seq_id \n_struct_sheet_range.pdbx_end_PDB_ins_code \n_struct_sheet_range.beg_auth_comp_id \n_struct_sheet_range.beg_auth_asym_id \n_struct_sheet_range.beg_auth_seq_id \n_struct_sheet_range.end_auth_comp_id \n_struct_sheet_range.end_auth_asym_id \n_struct_sheet_range.end_auth_seq_id \nA 1 ARG A 13 ? ILE A 14 ? ARG A 705 ILE A 706 \nA 2 LEU A 85 ? LEU A 90 ? LEU A 777 LEU A 782 \nA 3 VAL A 94 ? GLN A 99 ? VAL A 786 GLN A 791 \nA 4 ILE A 48 ? LEU A 55 ? ILE A 740 LEU A 747 \nA 5 GLY A 32 ? TRP A 39 ? GLY A 724 TRP A 731 \nA 6 PHE A 20 ? SER A 28 ? PHE A 712 SER A 720 \nB 1 VAL A 151 ? THR A 155 ? VAL A 843 THR A 847 \nB 2 HIS A 158 ? ILE A 161 ? HIS A 850 ILE A 853 \n# \nloop_\n_pdbx_struct_sheet_hbond.sheet_id \n_pdbx_struct_sheet_hbond.range_id_1 \n_pdbx_struct_sheet_hbond.range_id_2 \n_pdbx_struct_sheet_hbond.range_1_label_atom_id \n_pdbx_struct_sheet_hbond.range_1_label_comp_id \n_pdbx_struct_sheet_hbond.range_1_label_asym_id \n_pdbx_struct_sheet_hbond.range_1_label_seq_id \n_pdbx_struct_sheet_hbond.range_1_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_1_auth_atom_id \n_pdbx_struct_sheet_hbond.range_1_auth_comp_id \n_pdbx_struct_sheet_hbond.range_1_auth_asym_id \n_pdbx_struct_sheet_hbond.range_1_auth_seq_id \n_pdbx_struct_sheet_hbond.range_2_label_atom_id \n_pdbx_struct_sheet_hbond.range_2_label_comp_id \n_pdbx_struct_sheet_hbond.range_2_label_asym_id \n_pdbx_struct_sheet_hbond.range_2_label_seq_id \n_pdbx_struct_sheet_hbond.range_2_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_2_auth_atom_id \n_pdbx_struct_sheet_hbond.range_2_auth_comp_id \n_pdbx_struct_sheet_hbond.range_2_auth_asym_id \n_pdbx_struct_sheet_hbond.range_2_auth_seq_id \nA 1 2 N ARG A 13 ? N ARG A 705 O ILE A 88 ? O ILE A 780 \nA 2 3 N GLY A 87 ? N GLY A 779 O ILE A 97 ? O ILE A 789 \nA 3 4 O LEU A 96 ? O LEU A 788 N LYS A 53 ? N LYS A 745 \nA 4 5 O ILE A 48 ? O ILE A 740 N TRP A 39 ? N TRP A 731 \nA 5 6 O LYS A 36 ? O LYS A 728 N ILE A 23 ? N ILE A 715 \nB 1 2 N LEU A 152 ? N LEU A 844 O LYS A 160 ? O LYS A 852 \n# \nloop_\n_struct_site.id \n_struct_site.pdbx_evidence_code \n_struct_site.pdbx_auth_asym_id \n_struct_site.pdbx_auth_comp_id \n_struct_site.pdbx_auth_seq_id \n_struct_site.pdbx_auth_ins_code \n_struct_site.pdbx_num_residues \n_struct_site.details \nAC1 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE W32 A 1101' \nAC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1102' \n# \nloop_\n_struct_site_gen.id \n_struct_site_gen.site_id \n_struct_site_gen.pdbx_num_res \n_struct_site_gen.label_comp_id \n_struct_site_gen.label_asym_id \n_struct_site_gen.label_seq_id \n_struct_site_gen.pdbx_auth_ins_code \n_struct_site_gen.auth_comp_id \n_struct_site_gen.auth_asym_id \n_struct_site_gen.auth_seq_id \n_struct_site_gen.label_atom_id \n_struct_site_gen.label_alt_id \n_struct_site_gen.symmetry \n_struct_site_gen.details \n1 AC1 20 SER A 28 ? SER A 720 . ? 1_555 ? \n2 AC1 20 ALA A 51 ? ALA A 743 . ? 1_555 ? \n3 AC1 20 LYS A 53 ? LYS A 745 . ? 1_555 ? \n4 AC1 20 MET A 74 ? MET A 766 . ? 1_555 ? \n5 AC1 20 CYS A 83 ? CYS A 775 . ? 1_555 ? \n6 AC1 20 ARG A 84 ? ARG A 776 . ? 1_555 ? \n7 AC1 20 LEU A 85 ? LEU A 777 . ? 1_555 ? \n8 AC1 20 LEU A 96 ? LEU A 788 . ? 1_555 ? \n9 AC1 20 THR A 98 ? THR A 790 . ? 1_555 ? \n10 AC1 20 GLN A 99 ? GLN A 791 . ? 1_555 ? \n11 AC1 20 LEU A 100 ? LEU A 792 . ? 1_555 ? \n12 AC1 20 MET A 101 ? MET A 793 . ? 1_555 ? \n13 AC1 20 LEU A 152 ? LEU A 844 . ? 1_555 ? \n14 AC1 20 THR A 162 ? THR A 854 . ? 1_555 ? \n15 AC1 20 ASP A 163 ? ASP A 855 . ? 1_555 ? \n16 AC1 20 PHE A 164 ? PHE A 856 . ? 1_555 ? \n17 AC1 20 ASP A 250 ? ASP A 942 . ? 3_655 ? \n18 AC1 20 PHE A 305 ? PHE A 997 . ? 1_555 ? \n19 AC1 20 HOH D . ? HOH A 2001 . ? 1_555 ? \n20 AC1 20 HOH D . ? HOH A 2010 . ? 1_555 ? \n21 AC2 4 ARG A 111 ? ARG A 803 . ? 1_555 ? \n22 AC2 4 LYS A 221 ? LYS A 913 . ? 1_555 ? \n23 AC2 4 ARG A 285 ? ARG A 977 . ? 3_655 ? \n24 AC2 4 HOH D . ? HOH A 2037 . ? 1_555 ? \n# \n_database_PDB_matrix.entry_id 3W32 \n_database_PDB_matrix.origx[1][1] 1.000000 \n_database_PDB_matrix.origx[1][2] 0.000000 \n_database_PDB_matrix.origx[1][3] 0.000000 \n_database_PDB_matrix.origx[2][1] 0.000000 \n_database_PDB_matrix.origx[2][2] 1.000000 \n_database_PDB_matrix.origx[2][3] 0.000000 \n_database_PDB_matrix.origx[3][1] 0.000000 \n_database_PDB_matrix.origx[3][2] 0.000000 \n_database_PDB_matrix.origx[3][3] 1.000000 \n_database_PDB_matrix.origx_vector[1] 0.00000 \n_database_PDB_matrix.origx_vector[2] 0.00000 \n_database_PDB_matrix.origx_vector[3] 0.00000 \n# \n_atom_sites.entry_id 3W32 \n_atom_sites.fract_transf_matrix[1][1] 0.021532 \n_atom_sites.fract_transf_matrix[1][2] 0.000000 \n_atom_sites.fract_transf_matrix[1][3] 0.000000 \n_atom_sites.fract_transf_matrix[2][1] 0.000000 \n_atom_sites.fract_transf_matrix[2][2] 0.014640 \n_atom_sites.fract_transf_matrix[2][3] 0.000000 \n_atom_sites.fract_transf_matrix[3][1] 0.000000 \n_atom_sites.fract_transf_matrix[3][2] 0.000000 \n_atom_sites.fract_transf_matrix[3][3] 0.009683 \n_atom_sites.fract_transf_vector[1] 0.00000 \n_atom_sites.fract_transf_vector[2] 0.00000 \n_atom_sites.fract_transf_vector[3] 0.00000 \n# \nloop_\n_atom_type.symbol \nC \nCL \nF \nN \nO \nS \n# \nloop_\n_atom_site.group_PDB \n_atom_site.id \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.occupancy \n_atom_site.B_iso_or_equiv \n_atom_site.pdbx_formal_charge \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.pdbx_PDB_model_num \nATOM 1 N N . GLN A 1 9 ? -0.023 33.326 -4.411 1.00 47.95 ? 701 GLN A N 1 \nATOM 2 C CA . GLN A 1 9 ? -0.291 31.978 -3.835 1.00 50.95 ? 701 GLN A CA 1 \nATOM 3 C C . GLN A 1 9 ? 0.946 31.062 -3.957 1.00 47.20 ? 701 GLN A C 1 \nATOM 4 O O . GLN A 1 9 ? 0.876 29.863 -3.659 1.00 47.25 ? 701 GLN A O 1 \nATOM 5 C CB . GLN A 1 9 ? -1.501 31.341 -4.517 1.00 64.85 ? 701 GLN A CB 1 \nATOM 6 C CG . GLN A 1 9 ? -2.441 30.619 -3.562 1.00 84.93 ? 701 GLN A CG 1 \nATOM 7 C CD . GLN A 1 9 ? -3.514 29.816 -4.282 1.00 102.47 ? 701 GLN A CD 1 \nATOM 8 O OE1 . GLN A 1 9 ? -4.681 30.215 -4.329 1.00 95.64 ? 701 GLN A OE1 1 \nATOM 9 N NE2 . GLN A 1 9 ? -3.123 28.679 -4.849 1.00 100.38 ? 701 GLN A NE2 1 \nATOM 10 N N . ALA A 1 10 ? 2.069 31.642 -4.384 1.00 45.71 ? 702 ALA A N 1 \nATOM 11 C CA . ALA A 1 10 ? 3.343 30.929 -4.498 1.00 43.17 ? 702 ALA A CA 1 \nATOM 12 C C . ALA A 1 10 ? 3.775 30.322 -3.161 1.00 47.99 ? 702 ALA A C 1 \nATOM 13 O O . ALA A 1 10 ? 3.538 30.924 -2.110 1.00 44.37 ? 702 ALA A O 1 \nATOM 14 C CB . ALA A 1 10 ? 4.416 31.882 -5.023 1.00 42.30 ? 702 ALA A CB 1 \nATOM 15 N N . LEU A 1 11 ? 4.401 29.139 -3.199 1.00 38.24 ? 703 LEU A N 1 \nATOM 16 C CA . LEU A 1 11 ? 5.009 28.552 -2.003 1.00 37.89 ? 703 LEU A CA 1 \nATOM 17 C C . LEU A 1 11 ? 6.142 29.430 -1.494 1.00 37.81 ? 703 LEU A C 1 \nATOM 18 O O . LEU A 1 11 ? 6.222 29.735 -0.302 1.00 39.19 ? 703 LEU A O 1 \nATOM 19 C CB . LEU A 1 11 ? 5.530 27.130 -2.289 1.00 36.07 ? 703 LEU A CB 1 \nATOM 20 C CG . LEU A 1 11 ? 5.658 26.188 -1.082 1.00 46.85 ? 703 LEU A CG 1 \nATOM 21 C CD1 . LEU A 1 11 ? 4.475 26.310 -0.125 1.00 49.71 ? 703 LEU A CD1 1 \nATOM 22 C CD2 . LEU A 1 11 ? 5.791 24.740 -1.541 1.00 44.12 ? 703 LEU A CD2 1 \nATOM 23 N N . LEU A 1 12 ? 7.016 29.822 -2.415 1.00 33.81 ? 704 LEU A N 1 \nATOM 24 C CA . LEU A 1 12 ? 8.054 30.799 -2.155 1.00 32.97 ? 704 LEU A CA 1 \nATOM 25 C C . LEU A 1 12 ? 7.590 32.151 -2.677 1.00 34.88 ? 704 LEU A C 1 \nATOM 26 O O . LEU A 1 12 ? 7.644 32.424 -3.878 1.00 34.62 ? 704 LEU A O 1 \nATOM 27 C CB . LEU A 1 12 ? 9.371 30.386 -2.831 1.00 33.39 ? 704 LEU A CB 1 \nATOM 28 C CG . LEU A 1 12 ? 10.591 31.295 -2.585 1.00 38.51 ? 704 LEU A CG 1 \nATOM 29 C CD1 . LEU A 1 12 ? 10.953 31.361 -1.104 1.00 34.30 ? 704 LEU A CD1 1 \nATOM 30 C CD2 . LEU A 1 12 ? 11.796 30.854 -3.421 1.00 39.10 ? 704 LEU A CD2 1 \nATOM 31 N N . ARG A 1 13 ? 7.120 33.006 -1.775 1.00 35.37 ? 705 ARG A N 1 \nATOM 32 C CA . ARG A 1 13 ? 6.680 34.346 -2.183 1.00 37.73 ? 705 ARG A CA 1 \nATOM 33 C C . ARG A 1 13 ? 7.840 35.253 -2.555 1.00 41.05 ? 705 ARG A C 1 \nATOM 34 O O . ARG A 1 13 ? 8.844 35.319 -1.838 1.00 40.80 ? 705 ARG A O 1 \nATOM 35 C CB . ARG A 1 13 ? 5.837 34.997 -1.093 1.00 46.62 ? 705 ARG A CB 1 \nATOM 36 C CG . ARG A 1 13 ? 4.460 34.388 -0.965 1.00 48.65 ? 705 ARG A CG 1 \nATOM 37 C CD . ARG A 1 13 ? 3.829 34.763 0.358 1.00 65.57 ? 705 ARG A CD 1 \nATOM 38 N NE . ARG A 1 13 ? 2.514 35.377 0.173 1.00 86.68 ? 705 ARG A NE 1 \nATOM 39 C CZ . ARG A 1 13 ? 1.353 34.757 0.356 1.00 93.12 ? 705 ARG A CZ 1 \nATOM 40 N NH1 . ARG A 1 13 ? 1.317 33.485 0.736 1.00 98.53 ? 705 ARG A NH1 1 \nATOM 41 N NH2 . ARG A 1 13 ? 0.220 35.417 0.161 1.00 92.67 ? 705 ARG A NH2 1 \nATOM 42 N N . ILE A 1 14 ? 7.698 35.943 -3.686 1.00 39.60 ? 706 ILE A N 1 \nATOM 43 C CA . ILE A 1 14 ? 8.700 36.898 -4.116 1.00 43.49 ? 706 ILE A CA 1 \nATOM 44 C C . ILE A 1 14 ? 8.207 38.234 -3.610 1.00 47.29 ? 706 ILE A C 1 \nATOM 45 O O . ILE A 1 14 ? 7.260 38.798 -4.160 1.00 44.25 ? 706 ILE A O 1 \nATOM 46 C CB . ILE A 1 14 ? 8.837 36.961 -5.649 1.00 52.42 ? 706 ILE A CB 1 \nATOM 47 C CG1 . ILE A 1 14 ? 9.004 35.559 -6.256 1.00 51.04 ? 706 ILE A CG1 1 \nATOM 48 C CG2 . ILE A 1 14 ? 9.975 37.897 -6.048 1.00 53.78 ? 706 ILE A CG2 1 \nATOM 49 C CD1 . ILE A 1 14 ? 10.122 34.729 -5.654 1.00 43.80 ? 706 ILE A CD1 1 \nATOM 50 N N . LEU A 1 15 ? 8.836 38.729 -2.552 1.00 44.78 ? 707 LEU A N 1 \nATOM 51 C CA . LEU A 1 15 ? 8.365 39.947 -1.911 1.00 45.23 ? 707 LEU A CA 1 \nATOM 52 C C . LEU A 1 15 ? 9.109 41.154 -2.458 1.00 51.28 ? 707 LEU A C 1 \nATOM 53 O O . LEU A 1 15 ? 10.318 41.092 -2.692 1.00 49.23 ? 707 LEU A O 1 \nATOM 54 C CB . LEU A 1 15 ? 8.544 39.881 -0.391 1.00 47.65 ? 707 LEU A CB 1 \nATOM 55 C CG . LEU A 1 15 ? 8.012 38.705 0.428 1.00 54.52 ? 707 LEU A CG 1 \nATOM 56 C CD1 . LEU A 1 15 ? 8.324 38.928 1.896 1.00 43.38 ? 707 LEU A CD1 1 \nATOM 57 C CD2 . LEU A 1 15 ? 6.521 38.497 0.232 1.00 44.93 ? 707 LEU A CD2 1 \nATOM 58 N N . LYS A 1 16 ? 8.366 42.237 -2.676 1.00 49.18 ? 708 LYS A N 1 \nATOM 59 C CA . LYS A 1 16 ? 8.936 43.529 -3.035 1.00 61.50 ? 708 LYS A CA 1 \nATOM 60 C C . LYS A 1 16 ? 9.393 44.224 -1.768 1.00 50.76 ? 708 LYS A C 1 \nATOM 61 O O . LYS A 1 16 ? 8.770 44.070 -0.717 1.00 45.43 ? 708 LYS A O 1 \nATOM 62 C CB . LYS A 1 16 ? 7.891 44.407 -3.729 1.00 62.24 ? 708 LYS A CB 1 \nATOM 63 C CG . LYS A 1 16 ? 7.556 44.004 -5.157 1.00 77.38 ? 708 LYS A CG 1 \nATOM 64 C CD . LYS A 1 16 ? 6.048 43.943 -5.381 1.00 92.20 ? 708 LYS A CD 1 \nATOM 65 C CE . LYS A 1 16 ? 5.334 45.228 -4.984 1.00 96.25 ? 708 LYS A CE 1 \nATOM 66 N NZ . LYS A 1 16 ? 3.853 45.097 -5.081 1.00 100.00 ? 708 LYS A NZ 1 \nATOM 67 N N . GLU A 1 17 ? 10.473 44.994 -1.879 1.00 51.48 ? 709 GLU A N 1 \nATOM 68 C CA . GLU A 1 17 ? 11.019 45.768 -0.758 1.00 53.55 ? 709 GLU A CA 1 \nATOM 69 C C . GLU A 1 17 ? 9.963 46.612 -0.044 1.00 57.51 ? 709 GLU A C 1 \nATOM 70 O O . GLU A 1 17 ? 10.016 46.795 1.175 1.00 53.23 ? 709 GLU A O 1 \nATOM 71 C CB . GLU A 1 17 ? 12.169 46.651 -1.235 1.00 59.31 ? 709 GLU A CB 1 \nATOM 72 C CG . GLU A 1 17 ? 13.434 45.873 -1.562 1.00 72.06 ? 709 GLU A CG 1 \nATOM 73 C CD . GLU A 1 17 ? 14.597 46.768 -1.940 1.00 93.68 ? 709 GLU A CD 1 \nATOM 74 O OE1 . GLU A 1 17 ? 15.553 46.867 -1.141 1.00 83.68 ? 709 GLU A OE1 1 \nATOM 75 O OE2 . GLU A 1 17 ? 14.556 47.370 -3.037 1.00 102.62 ? 709 GLU A OE2 1 \nATOM 76 N N . THR A 1 18 ? 9.000 47.113 -0.809 1.00 57.55 ? 710 THR A N 1 \nATOM 77 C CA . THR A 1 18 ? 7.909 47.910 -0.252 1.00 61.28 ? 710 THR A CA 1 \nATOM 78 C C . THR A 1 18 ? 6.964 47.093 0.638 1.00 54.24 ? 710 THR A C 1 \nATOM 79 O O . THR A 1 18 ? 6.198 47.661 1.416 1.00 57.81 ? 710 THR A O 1 \nATOM 80 C CB . THR A 1 18 ? 7.093 48.606 -1.364 1.00 63.46 ? 710 THR A CB 1 \nATOM 81 O OG1 . THR A 1 18 ? 6.576 47.624 -2.275 1.00 63.38 ? 710 THR A OG1 1 \nATOM 82 C CG2 . THR A 1 18 ? 7.958 49.614 -2.128 1.00 61.93 ? 710 THR A CG2 1 \nATOM 83 N N . GLU A 1 19 ? 7.034 45.765 0.530 1.00 50.22 ? 711 GLU A N 1 \nATOM 84 C CA . GLU A 1 19 ? 6.124 44.862 1.239 1.00 56.68 ? 711 GLU A CA 1 \nATOM 85 C C . GLU A 1 19 ? 6.551 44.536 2.659 1.00 57.72 ? 711 GLU A C 1 \nATOM 86 O O . GLU A 1 19 ? 5.754 44.024 3.451 1.00 52.39 ? 711 GLU A O 1 \nATOM 87 C CB . GLU A 1 19 ? 6.023 43.535 0.507 1.00 61.93 ? 711 GLU A CB 1 \nATOM 88 C CG . GLU A 1 19 ? 5.118 43.514 -0.698 1.00 62.49 ? 711 GLU A CG 1 \nATOM 89 C CD . GLU A 1 19 ? 5.016 42.116 -1.252 1.00 59.26 ? 711 GLU A CD 1 \nATOM 90 O OE1 . GLU A 1 19 ? 5.574 41.880 -2.337 1.00 54.03 ? 711 GLU A OE1 1 \nATOM 91 O OE2 . GLU A 1 19 ? 4.413 41.250 -0.581 1.00 74.56 ? 711 GLU A OE2 1 \nATOM 92 N N . PHE A 1 20 ? 7.816 44.782 2.967 1.00 48.75 ? 712 PHE A N 1 \nATOM 93 C CA . PHE A 1 20 ? 8.343 44.449 4.291 1.00 54.26 ? 712 PHE A CA 1 \nATOM 94 C C . PHE A 1 20 ? 9.321 45.508 4.795 1.00 45.27 ? 712 PHE A C 1 \nATOM 95 O O . PHE A 1 20 ? 9.920 46.235 4.000 1.00 48.92 ? 712 PHE A O 1 \nATOM 96 C CB . PHE A 1 20 ? 8.976 43.045 4.294 1.00 46.56 ? 712 PHE A CB 1 \nATOM 97 C CG . PHE A 1 20 ? 10.222 42.928 3.457 1.00 42.91 ? 712 PHE A CG 1 \nATOM 98 C CD1 . PHE A 1 20 ? 11.483 43.010 4.046 1.00 51.07 ? 712 PHE A CD1 1 \nATOM 99 C CD2 . PHE A 1 20 ? 10.147 42.734 2.077 1.00 46.22 ? 712 PHE A CD2 1 \nATOM 100 C CE1 . PHE A 1 20 ? 12.644 42.902 3.285 1.00 44.32 ? 712 PHE A CE1 1 \nATOM 101 C CE2 . PHE A 1 20 ? 11.308 42.632 1.312 1.00 42.45 ? 712 PHE A CE2 1 \nATOM 102 C CZ . PHE A 1 20 ? 12.558 42.714 1.917 1.00 46.72 ? 712 PHE A CZ 1 \nATOM 103 N N . LYS A 1 21 ? 9.481 45.577 6.115 1.00 46.12 ? 713 LYS A N 1 \nATOM 104 C CA . LYS A 1 21 ? 10.320 46.606 6.756 1.00 45.30 ? 713 LYS A CA 1 \nATOM 105 C C . LYS A 1 21 ? 11.170 46.000 7.867 1.00 49.56 ? 713 LYS A C 1 \nATOM 106 O O . LYS A 1 21 ? 10.647 45.280 8.717 1.00 45.46 ? 713 LYS A O 1 \nATOM 107 C CB . LYS A 1 21 ? 9.456 47.720 7.356 1.00 49.90 ? 713 LYS A CB 1 \nATOM 108 C CG . LYS A 1 21 ? 8.771 48.628 6.353 1.00 61.39 ? 713 LYS A CG 1 \nATOM 109 C CD . LYS A 1 21 ? 7.824 49.599 7.050 1.00 81.27 ? 713 LYS A CD 1 \nATOM 110 C CE . LYS A 1 21 ? 6.888 50.280 6.056 1.00 69.86 ? 713 LYS A CE 1 \nATOM 111 N NZ . LYS A 1 21 ? 6.043 51.324 6.705 1.00 75.33 ? 713 LYS A NZ 1 \nATOM 112 N N . LYS A 1 22 ? 12.471 46.301 7.847 1.00 42.35 ? 714 LYS A N 1 \nATOM 113 C CA . LYS A 1 22 ? 13.389 45.951 8.930 1.00 46.11 ? 714 LYS A CA 1 \nATOM 114 C C . LYS A 1 22 ? 13.160 46.943 10.061 1.00 49.85 ? 714 LYS A C 1 \nATOM 115 O O . LYS A 1 22 ? 13.256 48.154 9.856 1.00 46.66 ? 714 LYS A O 1 \nATOM 116 C CB . LYS A 1 22 ? 14.845 46.063 8.477 1.00 49.54 ? 714 LYS A CB 1 \nATOM 117 C CG . LYS A 1 22 ? 15.287 45.129 7.369 1.00 53.76 ? 714 LYS A CG 1 \nATOM 118 C CD . LYS A 1 22 ? 16.780 45.310 7.156 1.00 53.79 ? 714 LYS A CD 1 \nATOM 119 C CE . LYS A 1 22 ? 17.258 44.686 5.862 1.00 52.83 ? 714 LYS A CE 1 \nATOM 120 N NZ . LYS A 1 22 ? 16.787 45.457 4.676 1.00 51.68 ? 714 LYS A NZ 1 \nATOM 121 N N . ILE A 1 23 ? 12.852 46.439 11.251 1.00 41.67 ? 715 ILE A N 1 \nATOM 122 C CA . ILE A 1 23 ? 12.489 47.317 12.368 1.00 48.15 ? 715 ILE A CA 1 \nATOM 123 C C . ILE A 1 23 ? 13.658 47.486 13.336 1.00 52.85 ? 715 ILE A C 1 \nATOM 124 O O . ILE A 1 23 ? 14.015 48.611 13.693 1.00 49.85 ? 715 ILE A O 1 \nATOM 125 C CB . ILE A 1 23 ? 11.191 46.843 13.061 1.00 41.49 ? 715 ILE A CB 1 \nATOM 126 C CG1 . ILE A 1 23 ? 10.029 47.003 12.077 1.00 54.99 ? 715 ILE A CG1 1 \nATOM 127 C CG2 . ILE A 1 23 ? 10.918 47.629 14.339 1.00 47.96 ? 715 ILE A CG2 1 \nATOM 128 C CD1 . ILE A 1 23 ? 8.670 46.667 12.641 1.00 54.20 ? 715 ILE A CD1 1 \nATOM 129 N N . LYS A 1 24 ? 14.260 46.369 13.744 1.00 43.46 ? 716 LYS A N 1 \nATOM 130 C CA . LYS A 1 24 ? 15.429 46.392 14.621 1.00 42.49 ? 716 LYS A CA 1 \nATOM 131 C C . LYS A 1 24 ? 16.392 45.271 14.247 1.00 45.76 ? 716 LYS A C 1 \nATOM 132 O O . LYS A 1 24 ? 15.983 44.237 13.719 1.00 37.65 ? 716 LYS A O 1 \nATOM 133 C CB . LYS A 1 24 ? 15.018 46.242 16.094 1.00 41.41 ? 716 LYS A CB 1 \nATOM 134 C CG . LYS A 1 24 ? 14.316 47.443 16.710 1.00 50.17 ? 716 LYS A CG 1 \nATOM 135 C CD . LYS A 1 24 ? 15.288 48.548 17.111 1.00 45.61 ? 716 LYS A CD 1 \nATOM 136 C CE . LYS A 1 24 ? 14.606 49.912 17.154 1.00 50.59 ? 716 LYS A CE 1 \nATOM 137 N NZ . LYS A 1 24 ? 13.715 50.066 18.332 1.00 57.19 ? 716 LYS A NZ 1 \nATOM 138 N N . VAL A 1 25 ? 17.673 45.475 14.541 1.00 41.16 ? 717 VAL A N 1 \nATOM 139 C CA . VAL A 1 25 ? 18.678 44.442 14.362 1.00 44.05 ? 717 VAL A CA 1 \nATOM 140 C C . VAL A 1 25 ? 18.537 43.387 15.446 1.00 43.45 ? 717 VAL A C 1 \nATOM 141 O O . VAL A 1 25 ? 18.310 43.709 16.608 1.00 42.18 ? 717 VAL A O 1 \nATOM 142 C CB . VAL A 1 25 ? 20.107 45.009 14.449 1.00 51.16 ? 717 VAL A CB 1 \nATOM 143 C CG1 . VAL A 1 25 ? 21.126 43.887 14.314 1.00 47.71 ? 717 VAL A CG1 1 \nATOM 144 C CG2 . VAL A 1 25 ? 20.336 46.059 13.379 1.00 50.70 ? 717 VAL A CG2 1 \nATOM 145 N N . LEU A 1 26 ? 18.670 42.119 15.068 1.00 37.54 ? 718 LEU A N 1 \nATOM 146 C CA . LEU A 1 26 ? 18.797 41.074 16.067 1.00 33.15 ? 718 LEU A CA 1 \nATOM 147 C C . LEU A 1 26 ? 20.279 40.757 16.246 1.00 37.30 ? 718 LEU A C 1 \nATOM 148 O O . LEU A 1 26 ? 20.810 40.967 17.326 1.00 35.69 ? 718 LEU A O 1 \nATOM 149 C CB . LEU A 1 26 ? 17.938 39.850 15.721 1.00 36.59 ? 718 LEU A CB 1 \nATOM 150 C CG . LEU A 1 26 ? 16.428 40.166 15.737 1.00 36.86 ? 718 LEU A CG 1 \nATOM 151 C CD1 . LEU A 1 26 ? 15.544 39.021 15.239 1.00 37.85 ? 718 LEU A CD1 1 \nATOM 152 C CD2 . LEU A 1 26 ? 15.991 40.593 17.131 1.00 43.64 ? 718 LEU A CD2 1 \nATOM 153 N N . GLY A 1 27 ? 20.953 40.292 15.192 1.00 36.46 ? 719 GLY A N 1 \nATOM 154 C CA . GLY A 1 27 ? 22.388 39.991 15.276 1.00 44.27 ? 719 GLY A CA 1 \nATOM 155 C C . GLY A 1 27 ? 23.000 39.439 14.002 1.00 57.08 ? 719 GLY A C 1 \nATOM 156 O O . GLY A 1 27 ? 22.282 39.077 13.066 1.00 53.06 ? 719 GLY A O 1 \nATOM 157 N N . SER A 1 28 ? 24.332 39.364 13.984 1.00 50.75 ? 720 SER A N 1 \nATOM 158 C CA . SER A 1 28 ? 25.091 38.813 12.856 1.00 51.92 ? 720 SER A CA 1 \nATOM 159 C C . SER A 1 28 ? 25.623 37.404 13.118 1.00 49.94 ? 720 SER A C 1 \nATOM 160 O O . SER A 1 28 ? 25.669 36.937 14.256 1.00 55.24 ? 720 SER A O 1 \nATOM 161 C CB . SER A 1 28 ? 26.258 39.736 12.495 1.00 63.92 ? 720 SER A CB 1 \nATOM 162 O OG . SER A 1 28 ? 25.807 40.883 11.797 1.00 68.03 ? 720 SER A OG 1 \nATOM 163 N N . GLY A 1 29 ? 26.029 36.737 12.043 1.00 57.18 ? 721 GLY A N 1 \nATOM 164 C CA . GLY A 1 29 ? 26.598 35.399 12.113 1.00 57.01 ? 721 GLY A CA 1 \nATOM 165 C C . GLY A 1 29 ? 27.510 35.199 10.922 1.00 63.27 ? 721 GLY A C 1 \nATOM 166 O O . GLY A 1 29 ? 27.672 36.108 10.098 1.00 61.34 ? 721 GLY A O 1 \nATOM 167 N N . ALA A 1 30 ? 28.107 34.012 10.835 1.00 71.41 ? 722 ALA A N 1 \nATOM 168 C CA . ALA A 1 30 ? 28.983 33.644 9.716 1.00 73.15 ? 722 ALA A CA 1 \nATOM 169 C C . ALA A 1 30 ? 28.313 33.834 8.352 1.00 71.72 ? 722 ALA A C 1 \nATOM 170 O O . ALA A 1 30 ? 28.929 34.359 7.417 1.00 59.12 ? 722 ALA A O 1 \nATOM 171 C CB . ALA A 1 30 ? 29.472 32.207 9.870 1.00 75.65 ? 722 ALA A CB 1 \nATOM 172 N N . PHE A 1 31 ? 27.048 33.425 8.245 1.00 55.28 ? 723 PHE A N 1 \nATOM 173 C CA . PHE A 1 31 ? 26.364 33.451 6.959 1.00 45.36 ? 723 PHE A CA 1 \nATOM 174 C C . PHE A 1 31 ? 25.582 34.728 6.671 1.00 48.16 ? 723 PHE A C 1 \nATOM 175 O O . PHE A 1 31 ? 25.209 34.967 5.523 1.00 48.85 ? 723 PHE A O 1 \nATOM 176 C CB . PHE A 1 31 ? 25.478 32.207 6.773 1.00 54.29 ? 723 PHE A CB 1 \nATOM 177 C CG . PHE A 1 31 ? 26.238 30.908 6.806 1.00 54.47 ? 723 PHE A CG 1 \nATOM 178 C CD1 . PHE A 1 31 ? 25.767 29.831 7.558 1.00 50.67 ? 723 PHE A CD1 1 \nATOM 179 C CD2 . PHE A 1 31 ? 27.441 30.759 6.102 1.00 49.42 ? 723 PHE A CD2 1 \nATOM 180 C CE1 . PHE A 1 31 ? 26.475 28.635 7.608 1.00 55.72 ? 723 PHE A CE1 1 \nATOM 181 C CE2 . PHE A 1 31 ? 28.142 29.562 6.141 1.00 43.55 ? 723 PHE A CE2 1 \nATOM 182 C CZ . PHE A 1 31 ? 27.667 28.504 6.905 1.00 48.56 ? 723 PHE A CZ 1 \nATOM 183 N N . GLY A 1 32 ? 25.325 35.543 7.693 1.00 43.86 ? 724 GLY A N 1 \nATOM 184 C CA . GLY A 1 32 ? 24.590 36.788 7.469 1.00 31.49 ? 724 GLY A CA 1 \nATOM 185 C C . GLY A 1 32 ? 24.017 37.449 8.711 1.00 41.98 ? 724 GLY A C 1 \nATOM 186 O O . GLY A 1 32 ? 24.322 37.039 9.836 1.00 47.37 ? 724 GLY A O 1 \nATOM 187 N N . THR A 1 33 ? 23.156 38.446 8.488 1.00 38.68 ? 725 THR A N 1 \nATOM 188 C CA . THR A 1 33 ? 22.603 39.310 9.542 1.00 38.78 ? 725 THR A CA 1 \nATOM 189 C C . THR A 1 33 ? 21.065 39.285 9.625 1.00 38.49 ? 725 THR A C 1 \nATOM 190 O O . THR A 1 33 ? 20.391 39.449 8.608 1.00 33.98 ? 725 THR A O 1 \nATOM 191 C CB . THR A 1 33 ? 23.053 40.762 9.320 1.00 49.97 ? 725 THR A CB 1 \nATOM 192 O OG1 . THR A 1 33 ? 24.483 40.810 9.375 1.00 46.95 ? 725 THR A OG1 1 \nATOM 193 C CG2 . THR A 1 33 ? 22.472 41.700 10.383 1.00 44.75 ? 725 THR A CG2 1 \nATOM 194 N N . VAL A 1 34 ? 20.534 39.134 10.842 1.00 32.51 ? 726 VAL A N 1 \nATOM 195 C CA . VAL A 1 34 ? 19.070 38.979 11.051 1.00 35.80 ? 726 VAL A CA 1 \nATOM 196 C C . VAL A 1 34 ? 18.414 40.191 11.729 1.00 34.03 ? 726 VAL A C 1 \nATOM 197 O O . VAL A 1 34 ? 18.988 40.751 12.672 1.00 34.12 ? 726 VAL A O 1 \nATOM 198 C CB . VAL A 1 34 ? 18.745 37.679 11.833 1.00 33.62 ? 726 VAL A CB 1 \nATOM 199 C CG1 . VAL A 1 34 ? 17.231 37.439 11.869 1.00 35.20 ? 726 VAL A CG1 1 \nATOM 200 C CG2 . VAL A 1 34 ? 19.400 36.488 11.163 1.00 37.39 ? 726 VAL A CG2 1 \nATOM 201 N N . TYR A 1 35 ? 17.215 40.566 11.254 1.00 33.84 ? 727 TYR A N 1 \nATOM 202 C CA . TYR A 1 35 ? 16.439 41.698 11.760 1.00 32.33 ? 727 TYR A CA 1 \nATOM 203 C C . TYR A 1 35 ? 15.042 41.252 12.170 1.00 37.12 ? 727 TYR A C 1 \nATOM 204 O O . TYR A 1 35 ? 14.463 40.338 11.555 1.00 34.66 ? 727 TYR A O 1 \nATOM 205 C CB . TYR A 1 35 ? 16.246 42.780 10.672 1.00 34.43 ? 727 TYR A CB 1 \nATOM 206 C CG . TYR A 1 35 ? 17.514 43.312 10.073 1.00 40.06 ? 727 TYR A CG 1 \nATOM 207 C CD1 . TYR A 1 35 ? 18.048 44.535 10.495 1.00 44.66 ? 727 TYR A CD1 1 \nATOM 208 C CD2 . TYR A 1 35 ? 18.204 42.586 9.100 1.00 48.07 ? 727 TYR A CD2 1 \nATOM 209 C CE1 . TYR A 1 35 ? 19.233 45.017 9.958 1.00 40.67 ? 727 TYR A CE1 1 \nATOM 210 C CE2 . TYR A 1 35 ? 19.393 43.057 8.559 1.00 45.69 ? 727 TYR A CE2 1 \nATOM 211 C CZ . TYR A 1 35 ? 19.897 44.277 8.987 1.00 50.79 ? 727 TYR A CZ 1 \nATOM 212 O OH . TYR A 1 35 ? 21.076 44.738 8.449 1.00 40.87 ? 727 TYR A OH 1 \nATOM 213 N N . LYS A 1 36 ? 14.496 41.908 13.186 1.00 31.04 ? 728 LYS A N 1 \nATOM 214 C CA . LYS A 1 36 ? 13.046 41.836 13.452 1.00 34.53 ? 728 LYS A CA 1 \nATOM 215 C C . LYS A 1 36 ? 12.362 42.756 12.451 1.00 38.87 ? 728 LYS A C 1 \nATOM 216 O O . LYS A 1 36 ? 12.862 43.841 12.167 1.00 39.43 ? 728 LYS A O 1 \nATOM 217 C CB . LYS A 1 36 ? 12.735 42.293 14.875 1.00 39.98 ? 728 LYS A CB 1 \nATOM 218 C CG . LYS A 1 36 ? 11.263 42.187 15.275 1.00 50.05 ? 728 LYS A CG 1 \nATOM 219 C CD . LYS A 1 36 ? 10.997 42.809 16.640 1.00 41.41 ? 728 LYS A CD 1 \nATOM 220 C CE . LYS A 1 36 ? 10.879 44.322 16.557 1.00 49.69 ? 728 LYS A CE 1 \nATOM 221 N NZ . LYS A 1 36 ? 10.778 44.921 17.913 1.00 50.16 ? 728 LYS A NZ 1 \nATOM 222 N N . GLY A 1 37 ? 11.222 42.334 11.912 1.00 38.44 ? 729 GLY A N 1 \nATOM 223 C CA . GLY A 1 37 ? 10.526 43.156 10.939 1.00 40.01 ? 729 GLY A CA 1 \nATOM 224 C C . GLY A 1 37 ? 9.034 42.913 10.861 1.00 36.82 ? 729 GLY A C 1 \nATOM 225 O O . GLY A 1 37 ? 8.488 42.144 11.635 1.00 33.00 ? 729 GLY A O 1 \nATOM 226 N N . LEU A 1 38 ? 8.388 43.608 9.930 1.00 42.24 ? 730 LEU A N 1 \nATOM 227 C CA . LEU A 1 38 ? 6.978 43.392 9.627 1.00 41.16 ? 730 LEU A CA 1 \nATOM 228 C C . LEU A 1 38 ? 6.790 43.121 8.139 1.00 37.54 ? 730 LEU A C 1 \nATOM 229 O O . LEU A 1 38 ? 7.381 43.794 7.295 1.00 43.28 ? 730 LEU A O 1 \nATOM 230 C CB . LEU A 1 38 ? 6.128 44.602 10.042 1.00 55.61 ? 730 LEU A CB 1 \nATOM 231 C CG . LEU A 1 38 ? 5.797 44.815 11.522 1.00 54.61 ? 730 LEU A CG 1 \nATOM 232 C CD1 . LEU A 1 38 ? 5.056 46.134 11.690 1.00 55.22 ? 730 LEU A CD1 1 \nATOM 233 C CD2 . LEU A 1 38 ? 4.985 43.665 12.105 1.00 62.65 ? 730 LEU A CD2 1 \nATOM 234 N N . TRP A 1 39 ? 5.976 42.119 7.831 1.00 42.21 ? 731 TRP A N 1 \nATOM 235 C CA . TRP A 1 39 ? 5.575 41.865 6.463 1.00 38.29 ? 731 TRP A CA 1 \nATOM 236 C C . TRP A 1 39 ? 4.115 42.307 6.264 1.00 44.54 ? 731 TRP A C 1 \nATOM 237 O O . TRP A 1 39 ? 3.205 41.854 6.974 1.00 40.95 ? 731 TRP A O 1 \nATOM 238 C CB . TRP A 1 39 ? 5.791 40.400 6.085 1.00 44.76 ? 731 TRP A CB 1 \nATOM 239 C CG . TRP A 1 39 ? 5.239 40.023 4.741 1.00 49.04 ? 731 TRP A CG 1 \nATOM 240 C CD1 . TRP A 1 39 ? 5.266 40.773 3.595 1.00 56.68 ? 731 TRP A CD1 1 \nATOM 241 C CD2 . TRP A 1 39 ? 4.591 38.792 4.399 1.00 57.71 ? 731 TRP A CD2 1 \nATOM 242 N NE1 . TRP A 1 39 ? 4.663 40.089 2.569 1.00 61.09 ? 731 TRP A NE1 1 \nATOM 243 C CE2 . TRP A 1 39 ? 4.244 38.869 3.032 1.00 55.11 ? 731 TRP A CE2 1 \nATOM 244 C CE3 . TRP A 1 39 ? 4.266 37.631 5.118 1.00 50.16 ? 731 TRP A CE3 1 \nATOM 245 C CZ2 . TRP A 1 39 ? 3.587 37.833 2.369 1.00 65.58 ? 731 TRP A CZ2 1 \nATOM 246 C CZ3 . TRP A 1 39 ? 3.615 36.603 4.461 1.00 59.33 ? 731 TRP A CZ3 1 \nATOM 247 C CH2 . TRP A 1 39 ? 3.276 36.713 3.098 1.00 60.58 ? 731 TRP A CH2 1 \nATOM 248 N N . ILE A 1 40 ? 3.936 43.209 5.304 1.00 46.64 ? 732 ILE A N 1 \nATOM 249 C CA . ILE A 1 40 ? 2.625 43.709 4.887 1.00 54.61 ? 732 ILE A CA 1 \nATOM 250 C C . ILE A 1 40 ? 2.347 43.178 3.476 1.00 52.31 ? 732 ILE A C 1 \nATOM 251 O O . ILE A 1 40 ? 2.779 43.779 2.492 1.00 58.58 ? 732 ILE A O 1 \nATOM 252 C CB . ILE A 1 40 ? 2.602 45.255 4.904 1.00 54.63 ? 732 ILE A CB 1 \nATOM 253 C CG1 . ILE A 1 40 ? 3.132 45.776 6.246 1.00 54.82 ? 732 ILE A CG1 1 \nATOM 254 C CG2 . ILE A 1 40 ? 1.194 45.787 4.641 1.00 66.79 ? 732 ILE A CG2 1 \nATOM 255 C CD1 . ILE A 1 40 ? 3.898 47.083 6.154 1.00 59.18 ? 732 ILE A CD1 1 \nATOM 256 N N . PRO A 1 41 ? 1.668 42.016 3.370 1.00 54.05 ? 733 PRO A N 1 \nATOM 257 C CA . PRO A 1 41 ? 1.327 41.500 2.042 1.00 58.55 ? 733 PRO A CA 1 \nATOM 258 C C . PRO A 1 41 ? 0.630 42.595 1.229 1.00 65.49 ? 733 PRO A C 1 \nATOM 259 O O . PRO A 1 41 ? -0.188 43.342 1.778 1.00 49.96 ? 733 PRO A O 1 \nATOM 260 C CB . PRO A 1 41 ? 0.373 40.346 2.348 1.00 64.25 ? 733 PRO A CB 1 \nATOM 261 C CG . PRO A 1 41 ? 0.768 39.882 3.707 1.00 61.88 ? 733 PRO A CG 1 \nATOM 262 C CD . PRO A 1 41 ? 1.226 41.110 4.446 1.00 62.75 ? 733 PRO A CD 1 \nATOM 263 N N . GLU A 1 42 ? 0.979 42.695 -0.052 1.00 70.24 ? 734 GLU A N 1 \nATOM 264 C CA . GLU A 1 42 ? 0.686 43.884 -0.872 1.00 94.73 ? 734 GLU A CA 1 \nATOM 265 C C . GLU A 1 42 ? -0.777 44.355 -0.899 1.00 97.63 ? 734 GLU A C 1 \nATOM 266 O O . GLU A 1 42 ? -1.074 45.485 -0.500 1.00 94.38 ? 734 GLU A O 1 \nATOM 267 C CB . GLU A 1 42 ? 1.246 43.724 -2.298 1.00 109.10 ? 734 GLU A CB 1 \nATOM 268 C CG . GLU A 1 42 ? 1.023 42.356 -2.932 1.00 121.90 ? 734 GLU A CG 1 \nATOM 269 C CD . GLU A 1 42 ? 2.032 42.040 -4.022 1.00 137.46 ? 734 GLU A CD 1 \nATOM 270 O OE1 . GLU A 1 42 ? 2.181 42.851 -4.963 1.00 133.69 ? 734 GLU A OE1 1 \nATOM 271 O OE2 . GLU A 1 42 ? 2.677 40.973 -3.941 1.00 133.05 ? 734 GLU A OE2 1 \nATOM 272 N N . GLY A 1 43 ? -1.679 43.493 -1.356 1.00 77.00 ? 735 GLY A N 1 \nATOM 273 C CA . GLY A 1 43 ? -3.081 43.876 -1.524 1.00 102.31 ? 735 GLY A CA 1 \nATOM 274 C C . GLY A 1 43 ? -3.886 43.756 -0.246 1.00 94.49 ? 735 GLY A C 1 \nATOM 275 O O . GLY A 1 43 ? -4.924 44.398 -0.090 1.00 87.16 ? 735 GLY A O 1 \nATOM 276 N N . GLU A 1 44 ? -3.388 42.942 0.677 1.00 84.67 ? 736 GLU A N 1 \nATOM 277 C CA . GLU A 1 44 ? -4.127 42.579 1.880 1.00 78.16 ? 736 GLU A CA 1 \nATOM 278 C C . GLU A 1 44 ? -4.024 43.678 2.935 1.00 83.43 ? 736 GLU A C 1 \nATOM 279 O O . GLU A 1 44 ? -3.373 44.703 2.709 1.00 81.42 ? 736 GLU A O 1 \nATOM 280 C CB . GLU A 1 44 ? -3.615 41.237 2.397 1.00 81.23 ? 736 GLU A CB 1 \nATOM 281 C CG . GLU A 1 44 ? -3.274 40.281 1.260 1.00 77.57 ? 736 GLU A CG 1 \nATOM 282 C CD . GLU A 1 44 ? -2.886 38.898 1.726 1.00 87.99 ? 736 GLU A CD 1 \nATOM 283 O OE1 . GLU A 1 44 ? -1.955 38.315 1.129 1.00 79.62 ? 736 GLU A OE1 1 \nATOM 284 O OE2 . GLU A 1 44 ? -3.512 38.390 2.680 1.00 96.84 ? 736 GLU A OE2 1 \nATOM 285 N N . LYS A 1 45 ? -4.679 43.481 4.076 1.00 74.52 ? 737 LYS A N 1 \nATOM 286 C CA . LYS A 1 45 ? -4.699 44.519 5.107 1.00 87.38 ? 737 LYS A CA 1 \nATOM 287 C C . LYS A 1 45 ? -4.260 44.016 6.485 1.00 96.71 ? 737 LYS A C 1 \nATOM 288 O O . LYS A 1 45 ? -4.977 44.181 7.477 1.00 109.85 ? 737 LYS A O 1 \nATOM 289 C CB . LYS A 1 45 ? -6.077 45.199 5.170 1.00 102.72 ? 737 LYS A CB 1 \nATOM 290 C CG . LYS A 1 45 ? -6.406 46.051 3.949 1.00 109.69 ? 737 LYS A CG 1 \nATOM 291 C CD . LYS A 1 45 ? -7.648 46.936 4.172 1.00 118.48 ? 737 LYS A CD 1 \nATOM 292 C CE . LYS A 1 45 ? -7.282 48.276 4.851 1.00 123.12 ? 737 LYS A CE 1 \nATOM 293 N NZ . LYS A 1 45 ? -8.538 49.108 5.062 1.00 124.87 ? 737 LYS A NZ 1 \nATOM 294 N N . VAL A 1 46 ? -3.074 43.406 6.534 1.00 81.63 ? 738 VAL A N 1 \nATOM 295 C CA . VAL A 1 46 ? -2.501 42.891 7.786 1.00 70.23 ? 738 VAL A CA 1 \nATOM 296 C C . VAL A 1 46 ? -0.992 43.163 7.922 1.00 67.18 ? 738 VAL A C 1 \nATOM 297 O O . VAL A 1 46 ? -0.292 43.394 6.933 1.00 49.00 ? 738 VAL A O 1 \nATOM 298 C CB . VAL A 1 46 ? -2.770 41.373 7.985 1.00 75.03 ? 738 VAL A CB 1 \nATOM 299 C CG1 . VAL A 1 46 ? -4.250 41.103 8.236 1.00 86.92 ? 738 VAL A CG1 1 \nATOM 300 C CG2 . VAL A 1 46 ? -2.252 40.551 6.808 1.00 64.70 ? 738 VAL A CG2 1 \nATOM 301 N N . LYS A 1 47 ? -0.516 43.146 9.165 1.00 59.40 ? 739 LYS A N 1 \nATOM 302 C CA . LYS A 1 47 ? 0.904 43.256 9.475 1.00 60.90 ? 739 LYS A CA 1 \nATOM 303 C C . LYS A 1 47 ? 1.318 41.933 10.119 1.00 50.28 ? 739 LYS A C 1 \nATOM 304 O O . LYS A 1 47 ? 0.703 41.504 11.090 1.00 49.12 ? 739 LYS A O 1 \nATOM 305 C CB . LYS A 1 47 ? 1.147 44.419 10.443 1.00 54.97 ? 739 LYS A CB 1 \nATOM 306 C CG . LYS A 1 47 ? 0.870 45.811 9.886 1.00 67.55 ? 739 LYS A CG 1 \nATOM 307 C CD . LYS A 1 47 ? 0.807 46.815 11.029 1.00 68.22 ? 739 LYS A CD 1 \nATOM 308 C CE . LYS A 1 47 ? 0.849 48.258 10.555 1.00 69.70 ? 739 LYS A CE 1 \nATOM 309 N NZ . LYS A 1 47 ? 0.897 49.182 11.726 1.00 63.68 ? 739 LYS A NZ 1 \nATOM 310 N N . ILE A 1 48 ? 2.334 41.275 9.569 1.00 53.92 ? 740 ILE A N 1 \nATOM 311 C CA . ILE A 1 48 ? 2.775 39.976 10.098 1.00 43.42 ? 740 ILE A CA 1 \nATOM 312 C C . ILE A 1 48 ? 4.222 40.069 10.602 1.00 38.89 ? 740 ILE A C 1 \nATOM 313 O O . ILE A 1 48 ? 5.111 40.395 9.830 1.00 37.20 ? 740 ILE A O 1 \nATOM 314 C CB . ILE A 1 48 ? 2.637 38.847 9.043 1.00 47.72 ? 740 ILE A CB 1 \nATOM 315 C CG1 . ILE A 1 48 ? 1.192 38.754 8.531 1.00 44.69 ? 740 ILE A CG1 1 \nATOM 316 C CG2 . ILE A 1 48 ? 3.097 37.499 9.607 1.00 42.82 ? 740 ILE A CG2 1 \nATOM 317 C CD1 . ILE A 1 48 ? 1.076 38.138 7.152 1.00 46.45 ? 740 ILE A CD1 1 \nATOM 318 N N . PRO A 1 49 ? 4.452 39.781 11.897 1.00 40.77 ? 741 PRO A N 1 \nATOM 319 C CA . PRO A 1 49 ? 5.827 39.786 12.440 1.00 39.30 ? 741 PRO A CA 1 \nATOM 320 C C . PRO A 1 49 ? 6.717 38.738 11.759 1.00 38.75 ? 741 PRO A C 1 \nATOM 321 O O . PRO A 1 49 ? 6.362 37.551 11.684 1.00 38.50 ? 741 PRO A O 1 \nATOM 322 C CB . PRO A 1 49 ? 5.632 39.455 13.923 1.00 38.97 ? 741 PRO A CB 1 \nATOM 323 C CG . PRO A 1 49 ? 4.153 39.637 14.186 1.00 41.99 ? 741 PRO A CG 1 \nATOM 324 C CD . PRO A 1 49 ? 3.478 39.309 12.893 1.00 42.15 ? 741 PRO A CD 1 \nATOM 325 N N . VAL A 1 50 ? 7.853 39.202 11.251 1.00 38.86 ? 742 VAL A N 1 \nATOM 326 C CA . VAL A 1 50 ? 8.786 38.356 10.514 1.00 38.13 ? 742 VAL A CA 1 \nATOM 327 C C . VAL A 1 50 ? 10.231 38.581 11.005 1.00 34.95 ? 742 VAL A C 1 \nATOM 328 O O . VAL A 1 50 ? 10.561 39.632 11.583 1.00 34.01 ? 742 VAL A O 1 \nATOM 329 C CB . VAL A 1 50 ? 8.687 38.599 8.982 1.00 37.29 ? 742 VAL A CB 1 \nATOM 330 C CG1 . VAL A 1 50 ? 7.346 38.112 8.437 1.00 40.56 ? 742 VAL A CG1 1 \nATOM 331 C CG2 . VAL A 1 50 ? 8.931 40.075 8.615 1.00 37.85 ? 742 VAL A CG2 1 \nATOM 332 N N . ALA A 1 51 ? 11.064 37.564 10.815 1.00 30.95 ? 743 ALA A N 1 \nATOM 333 C CA . ALA A 1 51 ? 12.504 37.735 10.909 1.00 31.06 ? 743 ALA A CA 1 \nATOM 334 C C . ALA A 1 51 ? 12.971 37.867 9.468 1.00 29.26 ? 743 ALA A C 1 \nATOM 335 O O . ALA A 1 51 ? 12.443 37.205 8.545 1.00 29.67 ? 743 ALA A O 1 \nATOM 336 C CB . ALA A 1 51 ? 13.145 36.521 11.607 1.00 27.75 ? 743 ALA A CB 1 \nATOM 337 N N . ILE A 1 52 ? 13.960 38.729 9.257 1.00 29.82 ? 744 ILE A N 1 \nATOM 338 C CA . ILE A 1 52 ? 14.482 38.989 7.941 1.00 26.91 ? 744 ILE A CA 1 \nATOM 339 C C . ILE A 1 52 ? 15.996 38.776 7.997 1.00 32.94 ? 744 ILE A C 1 \nATOM 340 O O . ILE A 1 52 ? 16.659 39.439 8.787 1.00 31.67 ? 744 ILE A O 1 \nATOM 341 C CB . ILE A 1 52 ? 14.187 40.451 7.521 1.00 32.45 ? 744 ILE A CB 1 \nATOM 342 C CG1 . ILE A 1 52 ? 12.668 40.686 7.463 1.00 33.88 ? 744 ILE A CG1 1 \nATOM 343 C CG2 . ILE A 1 52 ? 14.811 40.752 6.170 1.00 33.17 ? 744 ILE A CG2 1 \nATOM 344 C CD1 . ILE A 1 52 ? 12.266 42.143 7.435 1.00 43.30 ? 744 ILE A CD1 1 \nATOM 345 N N . LYS A 1 53 ? 16.513 37.833 7.209 1.00 31.04 ? 745 LYS A N 1 \nATOM 346 C CA . LYS A 1 53 ? 17.973 37.573 7.139 1.00 31.99 ? 745 LYS A CA 1 \nATOM 347 C C . LYS A 1 53 ? 18.524 38.109 5.822 1.00 39.09 ? 745 LYS A C 1 \nATOM 348 O O . LYS A 1 53 ? 18.134 37.638 4.751 1.00 38.70 ? 745 LYS A O 1 \nATOM 349 C CB . LYS A 1 53 ? 18.294 36.063 7.319 1.00 28.72 ? 745 LYS A CB 1 \nATOM 350 C CG . LYS A 1 53 ? 19.802 35.726 7.423 1.00 31.87 ? 745 LYS A CG 1 \nATOM 351 C CD . LYS A 1 53 ? 20.007 34.389 8.138 1.00 31.76 ? 745 LYS A CD 1 \nATOM 352 C CE . LYS A 1 53 ? 21.491 34.095 8.338 1.00 35.24 ? 745 LYS A CE 1 \nATOM 353 N NZ . LYS A 1 53 ? 21.698 32.907 9.205 1.00 39.22 ? 745 LYS A NZ 1 \nATOM 354 N N . GLU A 1 54 ? 19.416 39.106 5.904 1.00 34.93 ? 746 GLU A N 1 \nATOM 355 C CA . GLU A 1 54 ? 20.142 39.638 4.746 1.00 33.61 ? 746 GLU A CA 1 \nATOM 356 C C . GLU A 1 54 ? 21.526 38.979 4.663 1.00 41.73 ? 746 GLU A C 1 \nATOM 357 O O . GLU A 1 54 ? 22.298 39.054 5.609 1.00 40.63 ? 746 GLU A O 1 \nATOM 358 C CB . GLU A 1 54 ? 20.301 41.152 4.901 1.00 38.35 ? 746 GLU A CB 1 \nATOM 359 C CG . GLU A 1 54 ? 20.665 41.861 3.615 1.00 43.31 ? 746 GLU A CG 1 \nATOM 360 C CD . GLU A 1 54 ? 20.339 43.344 3.649 1.00 56.57 ? 746 GLU A CD 1 \nATOM 361 O OE1 . GLU A 1 54 ? 20.746 44.024 4.616 1.00 60.73 ? 746 GLU A OE1 1 \nATOM 362 O OE2 . GLU A 1 54 ? 19.673 43.828 2.704 1.00 56.47 ? 746 GLU A OE2 1 \nATOM 363 N N . LEU A 1 55 ? 21.833 38.337 3.537 1.00 44.06 ? 747 LEU A N 1 \nATOM 364 C CA . LEU A 1 55 ? 23.024 37.488 3.450 1.00 49.19 ? 747 LEU A CA 1 \nATOM 365 C C . LEU A 1 55 ? 24.281 38.279 3.131 1.00 60.11 ? 747 LEU A C 1 \nATOM 366 O O . LEU A 1 55 ? 24.202 39.411 2.649 1.00 50.14 ? 747 LEU A O 1 \nATOM 367 C CB . LEU A 1 55 ? 22.837 36.348 2.436 1.00 42.55 ? 747 LEU A CB 1 \nATOM 368 C CG . LEU A 1 55 ? 21.603 35.433 2.522 1.00 47.94 ? 747 LEU A CG 1 \nATOM 369 C CD1 . LEU A 1 55 ? 21.721 34.261 1.547 1.00 56.88 ? 747 LEU A CD1 1 \nATOM 370 C CD2 . LEU A 1 55 ? 21.335 34.931 3.938 1.00 48.40 ? 747 LEU A CD2 1 \nATOM 371 N N . ARG A 1 56 ? 25.429 37.670 3.439 1.00 66.18 ? 748 ARG A N 1 \nATOM 372 C CA . ARG A 1 56 ? 26.741 38.168 3.020 1.00 88.68 ? 748 ARG A CA 1 \nATOM 373 C C . ARG A 1 56 ? 26.890 37.940 1.518 1.00 83.15 ? 748 ARG A C 1 \nATOM 374 O O . ARG A 1 56 ? 26.540 36.871 1.007 1.00 58.47 ? 748 ARG A O 1 \nATOM 375 C CB . ARG A 1 56 ? 27.867 37.432 3.760 1.00 95.20 ? 748 ARG A CB 1 \nATOM 376 C CG . ARG A 1 56 ? 27.684 37.308 5.267 1.00 111.81 ? 748 ARG A CG 1 \nATOM 377 C CD . ARG A 1 56 ? 28.485 38.345 6.036 1.00 116.77 ? 748 ARG A CD 1 \nATOM 378 N NE . ARG A 1 56 ? 28.166 38.317 7.463 1.00 121.49 ? 748 ARG A NE 1 \nATOM 379 C CZ . ARG A 1 56 ? 28.992 38.701 8.434 1.00 124.58 ? 748 ARG A CZ 1 \nATOM 380 N NH1 . ARG A 1 56 ? 28.598 38.637 9.698 1.00 118.79 ? 748 ARG A NH1 1 \nATOM 381 N NH2 . ARG A 1 56 ? 30.213 39.139 8.150 1.00 121.87 ? 748 ARG A NH2 1 \nATOM 382 N N . GLU A 1 57 ? 27.406 38.949 0.821 1.00 98.46 ? 749 GLU A N 1 \nATOM 383 C CA . GLU A 1 57 ? 27.601 38.891 -0.630 1.00 109.01 ? 749 GLU A CA 1 \nATOM 384 C C . GLU A 1 57 ? 28.856 38.102 -1.017 1.00 119.10 ? 749 GLU A C 1 \nATOM 385 O O . GLU A 1 57 ? 29.662 37.740 -0.156 1.00 127.74 ? 749 GLU A O 1 \nATOM 386 C CB . GLU A 1 57 ? 27.675 40.307 -1.207 1.00 107.94 ? 749 GLU A CB 1 \nATOM 387 C CG . GLU A 1 57 ? 26.412 41.134 -1.012 1.00 122.50 ? 749 GLU A CG 1 \nATOM 388 C CD . GLU A 1 57 ? 26.530 42.544 -1.567 1.00 131.75 ? 749 GLU A CD 1 \nATOM 389 O OE1 . GLU A 1 57 ? 27.541 42.855 -2.234 1.00 129.10 ? 749 GLU A OE1 1 \nATOM 390 O OE2 . GLU A 1 57 ? 25.601 43.347 -1.337 1.00 141.68 ? 749 GLU A OE2 1 \nATOM 391 N N . ALA A 1 58 ? 29.008 37.836 -2.315 1.00 115.00 ? 750 ALA A N 1 \nATOM 392 C CA . ALA A 1 58 ? 30.204 37.181 -2.856 1.00 118.99 ? 750 ALA A CA 1 \nATOM 393 C C . ALA A 1 58 ? 30.743 37.944 -4.068 1.00 126.64 ? 750 ALA A C 1 \nATOM 394 O O . ALA A 1 58 ? 30.009 38.716 -4.692 1.00 142.14 ? 750 ALA A O 1 \nATOM 395 C CB . ALA A 1 58 ? 29.900 35.736 -3.224 1.00 111.74 ? 750 ALA A CB 1 \nATOM 396 N N . THR A 1 59 ? 32.022 37.735 -4.391 1.00 123.82 ? 751 THR A N 1 \nATOM 397 C CA . THR A 1 59 ? 32.648 38.356 -5.569 1.00 124.40 ? 751 THR A CA 1 \nATOM 398 C C . THR A 1 59 ? 32.044 37.774 -6.848 1.00 124.78 ? 751 THR A C 1 \nATOM 399 O O . THR A 1 59 ? 31.735 38.509 -7.791 1.00 116.74 ? 751 THR A O 1 \nATOM 400 C CB . THR A 1 59 ? 34.185 38.166 -5.588 1.00 118.19 ? 751 THR A CB 1 \nATOM 401 O OG1 . THR A 1 59 ? 34.721 38.383 -4.277 1.00 103.31 ? 751 THR A OG1 1 \nATOM 402 C CG2 . THR A 1 59 ? 34.848 39.136 -6.573 1.00 100.42 ? 751 THR A CG2 1 \nATOM 403 N N . SER A 1 60 ? 31.885 36.451 -6.862 1.00 121.20 ? 752 SER A N 1 \nATOM 404 C CA . SER A 1 60 ? 31.194 35.752 -7.939 1.00 135.31 ? 752 SER A CA 1 \nATOM 405 C C . SER A 1 60 ? 29.938 35.072 -7.380 1.00 129.14 ? 752 SER A C 1 \nATOM 406 O O . SER A 1 60 ? 29.976 33.894 -7.008 1.00 125.03 ? 752 SER A O 1 \nATOM 407 C CB . SER A 1 60 ? 32.123 34.735 -8.613 1.00 131.46 ? 752 SER A CB 1 \nATOM 408 O OG . SER A 1 60 ? 31.457 34.039 -9.655 1.00 119.19 ? 752 SER A OG 1 \nATOM 409 N N . PRO A 1 61 ? 28.819 35.821 -7.308 1.00 118.58 ? 753 PRO A N 1 \nATOM 410 C CA . PRO A 1 61 ? 27.589 35.277 -6.740 1.00 106.64 ? 753 PRO A CA 1 \nATOM 411 C C . PRO A 1 61 ? 26.877 34.351 -7.720 1.00 97.42 ? 753 PRO A C 1 \nATOM 412 O O . PRO A 1 61 ? 27.150 34.390 -8.922 1.00 88.50 ? 753 PRO A O 1 \nATOM 413 C CB . PRO A 1 61 ? 26.730 36.526 -6.474 1.00 107.50 ? 753 PRO A CB 1 \nATOM 414 C CG . PRO A 1 61 ? 27.528 37.708 -6.938 1.00 107.49 ? 753 PRO A CG 1 \nATOM 415 C CD . PRO A 1 61 ? 28.618 37.187 -7.821 1.00 102.77 ? 753 PRO A CD 1 \nATOM 416 N N . LYS A 1 62 ? 25.976 33.523 -7.199 1.00 91.73 ? 754 LYS A N 1 \nATOM 417 C CA . LYS A 1 62 ? 25.143 32.653 -8.028 1.00 78.40 ? 754 LYS A CA 1 \nATOM 418 C C . LYS A 1 62 ? 24.059 33.471 -8.747 1.00 72.59 ? 754 LYS A C 1 \nATOM 419 O O . LYS A 1 62 ? 23.679 34.553 -8.283 1.00 71.52 ? 754 LYS A O 1 \nATOM 420 C CB . LYS A 1 62 ? 24.516 31.548 -7.171 1.00 66.50 ? 754 LYS A CB 1 \nATOM 421 C CG . LYS A 1 62 ? 25.522 30.572 -6.582 1.00 66.51 ? 754 LYS A CG 1 \nATOM 422 C CD . LYS A 1 62 ? 24.844 29.511 -5.730 1.00 67.17 ? 754 LYS A CD 1 \nATOM 423 C CE . LYS A 1 62 ? 25.850 28.490 -5.217 1.00 71.27 ? 754 LYS A CE 1 \nATOM 424 N NZ . LYS A 1 62 ? 25.199 27.456 -4.367 1.00 72.05 ? 754 LYS A NZ 1 \nATOM 425 N N . ALA A 1 63 ? 23.582 32.965 -9.885 1.00 67.58 ? 755 ALA A N 1 \nATOM 426 C CA . ALA A 1 63 ? 22.470 33.596 -10.607 1.00 64.10 ? 755 ALA A CA 1 \nATOM 427 C C . ALA A 1 63 ? 21.197 33.558 -9.757 1.00 59.06 ? 755 ALA A C 1 \nATOM 428 O O . ALA A 1 63 ? 21.026 32.662 -8.924 1.00 48.83 ? 755 ALA A O 1 \nATOM 429 C CB . ALA A 1 63 ? 22.241 32.908 -11.946 1.00 62.79 ? 755 ALA A CB 1 \nATOM 430 N N . ASN A 1 64 ? 20.311 34.532 -9.961 1.00 55.32 ? 756 ASN A N 1 \nATOM 431 C CA . ASN A 1 64 ? 19.058 34.580 -9.210 1.00 57.65 ? 756 ASN A CA 1 \nATOM 432 C C . ASN A 1 64 ? 18.246 33.282 -9.306 1.00 49.83 ? 756 ASN A C 1 \nATOM 433 O O . ASN A 1 64 ? 17.713 32.811 -8.305 1.00 52.47 ? 756 ASN A O 1 \nATOM 434 C CB . ASN A 1 64 ? 18.214 35.782 -9.636 1.00 61.10 ? 756 ASN A CB 1 \nATOM 435 C CG . ASN A 1 64 ? 18.737 37.095 -9.070 1.00 65.60 ? 756 ASN A CG 1 \nATOM 436 O OD1 . ASN A 1 64 ? 18.241 38.166 -9.417 1.00 66.39 ? 756 ASN A OD1 1 \nATOM 437 N ND2 . ASN A 1 64 ? 19.733 37.018 -8.188 1.00 62.03 ? 756 ASN A ND2 1 \nATOM 438 N N . LYS A 1 65 ? 18.188 32.693 -10.499 1.00 48.32 ? 757 LYS A N 1 \nATOM 439 C CA . LYS A 1 65 ? 17.363 31.496 -10.707 1.00 53.97 ? 757 LYS A CA 1 \nATOM 440 C C . LYS A 1 65 ? 17.885 30.303 -9.916 1.00 52.23 ? 757 LYS A C 1 \nATOM 441 O O . LYS A 1 65 ? 17.101 29.474 -9.457 1.00 38.94 ? 757 LYS A O 1 \nATOM 442 C CB . LYS A 1 65 ? 17.178 31.163 -12.198 1.00 57.10 ? 757 LYS A CB 1 \nATOM 443 C CG . LYS A 1 65 ? 18.445 30.784 -12.949 1.00 62.89 ? 757 LYS A CG 1 \nATOM 444 C CD . LYS A 1 65 ? 18.134 30.400 -14.385 1.00 67.24 ? 757 LYS A CD 1 \nATOM 445 C CE . LYS A 1 65 ? 19.369 29.866 -15.088 1.00 78.98 ? 757 LYS A CE 1 \nATOM 446 N NZ . LYS A 1 65 ? 19.072 29.478 -16.495 1.00 98.58 ? 757 LYS A NZ 1 \nATOM 447 N N . GLU A 1 66 ? 19.205 30.237 -9.731 1.00 41.71 ? 758 GLU A N 1 \nATOM 448 C CA . GLU A 1 66 ? 19.816 29.184 -8.921 1.00 45.36 ? 758 GLU A CA 1 \nATOM 449 C C . GLU A 1 66 ? 19.512 29.391 -7.426 1.00 45.14 ? 758 GLU A C 1 \nATOM 450 O O . GLU A 1 66 ? 19.180 28.437 -6.706 1.00 43.16 ? 758 GLU A O 1 \nATOM 451 C CB . GLU A 1 66 ? 21.327 29.142 -9.166 1.00 56.18 ? 758 GLU A CB 1 \nATOM 452 C CG . GLU A 1 66 ? 22.010 27.873 -8.669 1.00 74.96 ? 758 GLU A CG 1 \nATOM 453 C CD . GLU A 1 66 ? 23.509 27.857 -8.933 1.00 89.13 ? 758 GLU A CD 1 \nATOM 454 O OE1 . GLU A 1 66 ? 24.235 27.159 -8.193 1.00 109.33 ? 758 GLU A OE1 1 \nATOM 455 O OE2 . GLU A 1 66 ? 23.968 28.536 -9.878 1.00 81.56 ? 758 GLU A OE2 1 \nATOM 456 N N . ILE A 1 67 ? 19.643 30.638 -6.971 1.00 38.74 ? 759 ILE A N 1 \nATOM 457 C CA . ILE A 1 67 ? 19.234 31.052 -5.622 1.00 40.45 ? 759 ILE A CA 1 \nATOM 458 C C . ILE A 1 67 ? 17.742 30.767 -5.383 1.00 37.42 ? 759 ILE A C 1 \nATOM 459 O O . ILE A 1 67 ? 17.347 30.206 -4.353 1.00 36.66 ? 759 ILE A O 1 \nATOM 460 C CB . ILE A 1 67 ? 19.533 32.554 -5.393 1.00 43.35 ? 759 ILE A CB 1 \nATOM 461 C CG1 . ILE A 1 67 ? 21.053 32.762 -5.243 1.00 47.56 ? 759 ILE A CG1 1 \nATOM 462 C CG2 . ILE A 1 67 ? 18.767 33.078 -4.186 1.00 43.77 ? 759 ILE A CG2 1 \nATOM 463 C CD1 . ILE A 1 67 ? 21.516 34.207 -5.124 1.00 44.09 ? 759 ILE A CD1 1 \nATOM 464 N N . LEU A 1 68 ? 16.923 31.151 -6.340 1.00 32.59 ? 760 LEU A N 1 \nATOM 465 C CA . LEU A 1 68 ? 15.477 30.871 -6.229 1.00 44.54 ? 760 LEU A CA 1 \nATOM 466 C C . LEU A 1 68 ? 15.206 29.372 -6.123 1.00 43.78 ? 760 LEU A C 1 \nATOM 467 O O . LEU A 1 68 ? 14.351 28.949 -5.341 1.00 38.07 ? 760 LEU A O 1 \nATOM 468 C CB . LEU A 1 68 ? 14.701 31.506 -7.382 1.00 37.58 ? 760 LEU A CB 1 \nATOM 469 C CG . LEU A 1 68 ? 14.663 33.030 -7.272 1.00 40.85 ? 760 LEU A CG 1 \nATOM 470 C CD1 . LEU A 1 68 ? 14.118 33.694 -8.532 1.00 47.14 ? 760 LEU A CD1 1 \nATOM 471 C CD2 . LEU A 1 68 ? 13.882 33.459 -6.040 1.00 39.46 ? 760 LEU A CD2 1 \nATOM 472 N N . ASP A 1 69 ? 15.966 28.576 -6.874 1.00 37.26 ? 761 ASP A N 1 \nATOM 473 C CA . ASP A 1 69 ? 15.788 27.126 -6.889 1.00 39.19 ? 761 ASP A CA 1 \nATOM 474 C C . ASP A 1 69 ? 16.110 26.500 -5.525 1.00 46.00 ? 761 ASP A C 1 \nATOM 475 O O . ASP A 1 69 ? 15.381 25.626 -5.051 1.00 41.12 ? 761 ASP A O 1 \nATOM 476 C CB . ASP A 1 69 ? 16.625 26.501 -8.020 1.00 44.22 ? 761 ASP A CB 1 \nATOM 477 C CG . ASP A 1 69 ? 16.461 24.979 -8.126 1.00 58.33 ? 761 ASP A CG 1 \nATOM 478 O OD1 . ASP A 1 69 ? 17.492 24.284 -8.152 1.00 49.31 ? 761 ASP A OD1 1 \nATOM 479 O OD2 . ASP A 1 69 ? 15.316 24.470 -8.200 1.00 47.84 ? 761 ASP A OD2 1 \nATOM 480 N N . GLU A 1 70 ? 17.191 26.954 -4.888 1.00 36.07 ? 762 GLU A N 1 \nATOM 481 C CA . GLU A 1 70 ? 17.560 26.438 -3.576 1.00 34.81 ? 762 GLU A CA 1 \nATOM 482 C C . GLU A 1 70 ? 16.600 26.948 -2.508 1.00 32.41 ? 762 GLU A C 1 \nATOM 483 O O . GLU A 1 70 ? 16.215 26.209 -1.596 1.00 36.70 ? 762 GLU A O 1 \nATOM 484 C CB . GLU A 1 70 ? 19.029 26.775 -3.256 1.00 39.98 ? 762 GLU A CB 1 \nATOM 485 C CG . GLU A 1 70 ? 19.960 26.152 -4.283 1.00 46.30 ? 762 GLU A CG 1 \nATOM 486 C CD . GLU A 1 70 ? 21.394 25.995 -3.807 1.00 67.31 ? 762 GLU A CD 1 \nATOM 487 O OE1 . GLU A 1 70 ? 22.255 25.711 -4.666 1.00 61.02 ? 762 GLU A OE1 1 \nATOM 488 O OE2 . GLU A 1 70 ? 21.667 26.144 -2.592 1.00 60.07 ? 762 GLU A OE2 1 \nATOM 489 N N . ALA A 1 71 ? 16.161 28.196 -2.654 1.00 31.03 ? 763 ALA A N 1 \nATOM 490 C CA . ALA A 1 71 ? 15.258 28.767 -1.667 1.00 30.15 ? 763 ALA A CA 1 \nATOM 491 C C . ALA A 1 71 ? 13.909 28.042 -1.718 1.00 31.96 ? 763 ALA A C 1 \nATOM 492 O O . ALA A 1 71 ? 13.237 27.930 -0.700 1.00 32.14 ? 763 ALA A O 1 \nATOM 493 C CB . ALA A 1 71 ? 15.065 30.253 -1.887 1.00 31.59 ? 763 ALA A CB 1 \nATOM 494 N N . TYR A 1 72 ? 13.541 27.551 -2.895 1.00 28.99 ? 764 TYR A N 1 \nATOM 495 C CA . TYR A 1 72 ? 12.229 26.863 -3.044 1.00 29.83 ? 764 TYR A CA 1 \nATOM 496 C C . TYR A 1 72 ? 12.189 25.668 -2.112 1.00 28.72 ? 764 TYR A C 1 \nATOM 497 O O . TYR A 1 72 ? 11.184 25.426 -1.469 1.00 29.34 ? 764 TYR A O 1 \nATOM 498 C CB . TYR A 1 72 ? 11.968 26.408 -4.481 1.00 30.91 ? 764 TYR A CB 1 \nATOM 499 C CG . TYR A 1 72 ? 10.617 25.705 -4.651 1.00 30.27 ? 764 TYR A CG 1 \nATOM 500 C CD1 . TYR A 1 72 ? 10.525 24.314 -4.685 1.00 29.95 ? 764 TYR A CD1 1 \nATOM 501 C CD2 . TYR A 1 72 ? 9.448 26.447 -4.774 1.00 31.11 ? 764 TYR A CD2 1 \nATOM 502 C CE1 . TYR A 1 72 ? 9.299 23.683 -4.830 1.00 36.51 ? 764 TYR A CE1 1 \nATOM 503 C CE2 . TYR A 1 72 ? 8.212 25.822 -4.915 1.00 34.02 ? 764 TYR A CE2 1 \nATOM 504 C CZ . TYR A 1 72 ? 8.153 24.440 -4.943 1.00 31.33 ? 764 TYR A CZ 1 \nATOM 505 O OH . TYR A 1 72 ? 6.926 23.819 -5.090 1.00 36.39 ? 764 TYR A OH 1 \nATOM 506 N N . VAL A 1 73 ? 13.308 24.953 -1.983 1.00 30.36 ? 765 VAL A N 1 \nATOM 507 C CA . VAL A 1 73 ? 13.338 23.790 -1.106 1.00 30.00 ? 765 VAL A CA 1 \nATOM 508 C C . VAL A 1 73 ? 13.144 24.241 0.339 1.00 28.48 ? 765 VAL A C 1 \nATOM 509 O O . VAL A 1 73 ? 12.510 23.540 1.135 1.00 28.46 ? 765 VAL A O 1 \nATOM 510 C CB . VAL A 1 73 ? 14.661 22.982 -1.249 1.00 34.35 ? 765 VAL A CB 1 \nATOM 511 C CG1 . VAL A 1 73 ? 14.648 21.743 -0.361 1.00 37.76 ? 765 VAL A CG1 1 \nATOM 512 C CG2 . VAL A 1 73 ? 14.898 22.599 -2.708 1.00 39.05 ? 765 VAL A CG2 1 \nATOM 513 N N . MET A 1 74 ? 13.685 25.407 0.687 1.00 26.60 ? 766 MET A N 1 \nATOM 514 C CA . MET A 1 74 ? 13.558 25.938 2.055 1.00 27.20 ? 766 MET A CA 1 \nATOM 515 C C . MET A 1 74 ? 12.106 26.365 2.345 1.00 32.09 ? 766 MET A C 1 \nATOM 516 O O . MET A 1 74 ? 11.637 26.292 3.487 1.00 34.54 ? 766 MET A O 1 \nATOM 517 C CB . MET A 1 74 ? 14.561 27.094 2.308 1.00 31.52 ? 766 MET A CB 1 \nATOM 518 C CG . MET A 1 74 ? 16.040 26.737 2.138 1.00 36.39 ? 766 MET A CG 1 \nATOM 519 S SD . MET A 1 74 ? 16.954 28.289 1.995 1.00 35.31 ? 766 MET A SD 1 \nATOM 520 C CE . MET A 1 74 ? 18.693 27.772 1.971 1.00 29.41 ? 766 MET A CE 1 \nATOM 521 N N . ALA A 1 75 ? 11.388 26.768 1.304 1.00 25.55 ? 767 ALA A N 1 \nATOM 522 C CA . ALA A 1 75 ? 9.955 27.147 1.461 1.00 28.35 ? 767 ALA A CA 1 \nATOM 523 C C . ALA A 1 75 ? 8.996 25.957 1.419 1.00 30.50 ? 767 ALA A C 1 \nATOM 524 O O . ALA A 1 75 ? 7.810 26.051 1.829 1.00 35.24 ? 767 ALA A O 1 \nATOM 525 C CB . ALA A 1 75 ? 9.587 28.141 0.385 1.00 27.82 ? 767 ALA A CB 1 \nATOM 526 N N . SER A 1 76 ? 9.486 24.841 0.921 1.00 33.39 ? 768 SER A N 1 \nATOM 527 C CA . SER A 1 76 ? 8.674 23.650 0.666 1.00 36.62 ? 768 SER A CA 1 \nATOM 528 C C . SER A 1 76 ? 8.537 22.757 1.916 1.00 35.31 ? 768 SER A C 1 \nATOM 529 O O . SER A 1 76 ? 7.706 21.837 1.944 1.00 41.31 ? 768 SER A O 1 \nATOM 530 C CB . SER A 1 76 ? 9.315 22.842 -0.478 1.00 30.34 ? 768 SER A CB 1 \nATOM 531 O OG . SER A 1 76 ? 10.337 22.007 0.056 1.00 43.37 ? 768 SER A OG 1 \nATOM 532 N N . VAL A 1 77 ? 9.337 23.017 2.949 1.00 29.89 ? 769 VAL A N 1 \nATOM 533 C CA . VAL A 1 77 ? 9.346 22.117 4.112 1.00 31.80 ? 769 VAL A CA 1 \nATOM 534 C C . VAL A 1 77 ? 8.076 22.226 4.967 1.00 35.73 ? 769 VAL A C 1 \nATOM 535 O O . VAL A 1 77 ? 7.587 23.322 5.240 1.00 40.87 ? 769 VAL A O 1 \nATOM 536 C CB . VAL A 1 77 ? 10.608 22.267 4.970 1.00 36.09 ? 769 VAL A CB 1 \nATOM 537 C CG1 . VAL A 1 77 ? 11.840 21.931 4.144 1.00 34.12 ? 769 VAL A CG1 1 \nATOM 538 C CG2 . VAL A 1 77 ? 10.721 23.677 5.517 1.00 42.89 ? 769 VAL A CG2 1 \nATOM 539 N N . ASP A 1 78 ? 7.546 21.080 5.369 1.00 31.99 ? 770 ASP A N 1 \nATOM 540 C CA . ASP A 1 78 ? 6.279 21.036 6.088 1.00 39.53 ? 770 ASP A CA 1 \nATOM 541 C C . ASP A 1 78 ? 6.391 20.001 7.188 1.00 32.29 ? 770 ASP A C 1 \nATOM 542 O O . ASP A 1 78 ? 6.093 18.820 6.974 1.00 33.73 ? 770 ASP A O 1 \nATOM 543 C CB . ASP A 1 78 ? 5.126 20.706 5.120 1.00 36.58 ? 770 ASP A CB 1 \nATOM 544 C CG . ASP A 1 78 ? 3.755 20.745 5.793 1.00 41.55 ? 770 ASP A CG 1 \nATOM 545 O OD1 . ASP A 1 78 ? 3.591 21.464 6.803 1.00 41.43 ? 770 ASP A OD1 1 \nATOM 546 O OD2 . ASP A 1 78 ? 2.839 20.055 5.297 1.00 61.49 ? 770 ASP A OD2 1 \nATOM 547 N N . ASN A 1 79 ? 6.841 20.458 8.358 1.00 27.92 ? 771 ASN A N 1 \nATOM 548 C CA . ASN A 1 79 ? 7.056 19.600 9.515 1.00 28.79 ? 771 ASN A CA 1 \nATOM 549 C C . ASN A 1 79 ? 7.004 20.473 10.767 1.00 28.51 ? 771 ASN A C 1 \nATOM 550 O O . ASN A 1 79 ? 7.492 21.615 10.753 1.00 32.33 ? 771 ASN A O 1 \nATOM 551 C CB . ASN A 1 79 ? 8.427 18.877 9.404 1.00 31.63 ? 771 ASN A CB 1 \nATOM 552 C CG . ASN A 1 79 ? 8.711 17.968 10.593 1.00 32.66 ? 771 ASN A CG 1 \nATOM 553 O OD1 . ASN A 1 79 ? 9.198 18.412 11.634 1.00 32.35 ? 771 ASN A OD1 1 \nATOM 554 N ND2 . ASN A 1 79 ? 8.412 16.685 10.439 1.00 31.99 ? 771 ASN A ND2 1 \nATOM 555 N N . PRO A 1 80 ? 6.419 19.947 11.868 1.00 36.96 ? 772 PRO A N 1 \nATOM 556 C CA . PRO A 1 80 ? 6.237 20.746 13.090 1.00 37.28 ? 772 PRO A CA 1 \nATOM 557 C C . PRO A 1 80 ? 7.540 21.226 13.729 1.00 33.19 ? 772 PRO A C 1 \nATOM 558 O O . PRO A 1 80 ? 7.524 22.216 14.470 1.00 30.61 ? 772 PRO A O 1 \nATOM 559 C CB . PRO A 1 80 ? 5.540 19.773 14.045 1.00 44.95 ? 772 PRO A CB 1 \nATOM 560 C CG . PRO A 1 80 ? 4.862 18.792 13.164 1.00 49.09 ? 772 PRO A CG 1 \nATOM 561 C CD . PRO A 1 80 ? 5.749 18.635 11.972 1.00 36.80 ? 772 PRO A CD 1 \nATOM 562 N N . HIS A 1 81 ? 8.647 20.524 13.463 1.00 32.01 ? 773 HIS A N 1 \nATOM 563 C CA . HIS A 1 81 ? 9.923 20.890 14.095 1.00 32.30 ? 773 HIS A CA 1 \nATOM 564 C C . HIS A 1 81 ? 10.938 21.522 13.140 1.00 29.91 ? 773 HIS A C 1 \nATOM 565 O O . HIS A 1 81 ? 12.141 21.581 13.433 1.00 31.48 ? 773 HIS A O 1 \nATOM 566 C CB . HIS A 1 81 ? 10.501 19.683 14.866 1.00 30.06 ? 773 HIS A CB 1 \nATOM 567 C CG . HIS A 1 81 ? 9.481 19.002 15.740 1.00 38.50 ? 773 HIS A CG 1 \nATOM 568 N ND1 . HIS A 1 81 ? 8.923 19.607 16.850 1.00 35.97 ? 773 HIS A ND1 1 \nATOM 569 C CD2 . HIS A 1 81 ? 8.862 17.803 15.617 1.00 43.44 ? 773 HIS A CD2 1 \nATOM 570 C CE1 . HIS A 1 81 ? 8.045 18.787 17.401 1.00 35.79 ? 773 HIS A CE1 1 \nATOM 571 N NE2 . HIS A 1 81 ? 7.979 17.690 16.666 1.00 33.01 ? 773 HIS A NE2 1 \nATOM 572 N N . VAL A 1 82 ? 10.444 22.029 12.011 1.00 32.42 ? 774 VAL A N 1 \nATOM 573 C CA . VAL A 1 82 ? 11.292 22.713 11.029 1.00 31.78 ? 774 VAL A CA 1 \nATOM 574 C C . VAL A 1 82 ? 10.590 24.023 10.638 1.00 31.70 ? 774 VAL A C 1 \nATOM 575 O O . VAL A 1 82 ? 9.410 24.021 10.272 1.00 33.83 ? 774 VAL A O 1 \nATOM 576 C CB . VAL A 1 82 ? 11.562 21.858 9.757 1.00 37.83 ? 774 VAL A CB 1 \nATOM 577 C CG1 . VAL A 1 82 ? 12.584 22.547 8.868 1.00 28.77 ? 774 VAL A CG1 1 \nATOM 578 C CG2 . VAL A 1 82 ? 12.050 20.442 10.095 1.00 34.53 ? 774 VAL A CG2 1 \nATOM 579 N N . CYS A 1 83 ? 11.299 25.132 10.784 1.00 31.06 ? 775 CYS A N 1 \nATOM 580 C CA . CYS A 1 83 ? 10.867 26.411 10.246 1.00 32.97 ? 775 CYS A CA 1 \nATOM 581 C C . CYS A 1 83 ? 10.813 26.400 8.725 1.00 31.14 ? 775 CYS A C 1 \nATOM 582 O O . CYS A 1 83 ? 11.570 25.660 8.057 1.00 35.80 ? 775 CYS A O 1 \nATOM 583 C CB . CYS A 1 83 ? 11.836 27.504 10.707 1.00 29.32 ? 775 CYS A CB 1 \nATOM 584 S SG . CYS A 1 83 ? 11.781 27.780 12.482 1.00 36.31 ? 775 CYS A SG 1 \nATOM 585 N N . ARG A 1 84 ? 9.959 27.240 8.152 1.00 27.88 ? 776 ARG A N 1 \nATOM 586 C CA . ARG A 1 84 ? 9.926 27.322 6.704 1.00 26.20 ? 776 ARG A CA 1 \nATOM 587 C C . ARG A 1 84 ? 10.059 28.744 6.212 1.00 25.09 ? 776 ARG A C 1 \nATOM 588 O O . ARG A 1 84 ? 9.700 29.688 6.895 1.00 28.55 ? 776 ARG A O 1 \nATOM 589 C CB . ARG A 1 84 ? 8.682 26.632 6.126 1.00 36.86 ? 776 ARG A CB 1 \nATOM 590 C CG . ARG A 1 84 ? 7.473 27.513 6.073 1.00 39.62 ? 776 ARG A CG 1 \nATOM 591 C CD . ARG A 1 84 ? 6.435 26.936 5.109 1.00 54.28 ? 776 ARG A CD 1 \nATOM 592 N NE . ARG A 1 84 ? 5.496 27.982 4.720 1.00 51.59 ? 776 ARG A NE 1 \nATOM 593 C CZ . ARG A 1 84 ? 5.521 28.662 3.573 1.00 56.49 ? 776 ARG A CZ 1 \nATOM 594 N NH1 . ARG A 1 84 ? 6.423 28.405 2.636 1.00 45.85 ? 776 ARG A NH1 1 \nATOM 595 N NH2 . ARG A 1 84 ? 4.607 29.596 3.351 1.00 62.64 ? 776 ARG A NH2 1 \nATOM 596 N N . LEU A 1 85 ? 10.660 28.874 5.042 1.00 32.82 ? 777 LEU A N 1 \nATOM 597 C CA . LEU A 1 85 ? 10.839 30.155 4.397 1.00 39.54 ? 777 LEU A CA 1 \nATOM 598 C C . LEU A 1 85 ? 9.481 30.608 3.865 1.00 41.12 ? 777 LEU A C 1 \nATOM 599 O O . LEU A 1 85 ? 8.752 29.829 3.249 1.00 36.46 ? 777 LEU A O 1 \nATOM 600 C CB . LEU A 1 85 ? 11.873 30.008 3.284 1.00 37.75 ? 777 LEU A CB 1 \nATOM 601 C CG . LEU A 1 85 ? 12.599 31.245 2.783 1.00 41.91 ? 777 LEU A CG 1 \nATOM 602 C CD1 . LEU A 1 85 ? 13.269 31.938 3.962 1.00 35.23 ? 777 LEU A CD1 1 \nATOM 603 C CD2 . LEU A 1 85 ? 13.619 30.839 1.737 1.00 39.23 ? 777 LEU A CD2 1 \nATOM 604 N N . LEU A 1 86 ? 9.106 31.841 4.179 1.00 35.56 ? 778 LEU A N 1 \nATOM 605 C CA . LEU A 1 86 ? 7.850 32.407 3.671 1.00 37.08 ? 778 LEU A CA 1 \nATOM 606 C C . LEU A 1 86 ? 8.067 33.176 2.372 1.00 39.75 ? 778 LEU A C 1 \nATOM 607 O O . LEU A 1 86 ? 7.184 33.229 1.510 1.00 45.05 ? 778 LEU A O 1 \nATOM 608 C CB . LEU A 1 86 ? 7.251 33.354 4.706 1.00 33.02 ? 778 LEU A CB 1 \nATOM 609 C CG . LEU A 1 86 ? 6.736 32.791 6.028 1.00 43.06 ? 778 LEU A CG 1 \nATOM 610 C CD1 . LEU A 1 86 ? 6.379 33.930 6.967 1.00 41.81 ? 778 LEU A CD1 1 \nATOM 611 C CD2 . LEU A 1 86 ? 5.533 31.872 5.829 1.00 55.69 ? 778 LEU A CD2 1 \nATOM 612 N N . GLY A 1 87 ? 9.235 33.799 2.246 1.00 38.68 ? 779 GLY A N 1 \nATOM 613 C CA . GLY A 1 87 ? 9.483 34.706 1.147 1.00 38.09 ? 779 GLY A CA 1 \nATOM 614 C C . GLY A 1 87 ? 10.944 35.031 0.929 1.00 34.62 ? 779 GLY A C 1 \nATOM 615 O O . GLY A 1 87 ? 11.816 34.682 1.729 1.00 34.55 ? 779 GLY A O 1 \nATOM 616 N N . ILE A 1 88 ? 11.206 35.696 -0.181 1.00 36.47 ? 780 ILE A N 1 \nATOM 617 C CA . ILE A 1 88 ? 12.549 36.078 -0.537 1.00 32.86 ? 780 ILE A CA 1 \nATOM 618 C C . ILE A 1 88 ? 12.467 37.364 -1.342 1.00 37.56 ? 780 ILE A C 1 \nATOM 619 O O . ILE A 1 88 ? 11.461 37.641 -2.019 1.00 35.89 ? 780 ILE A O 1 \nATOM 620 C CB . ILE A 1 88 ? 13.271 34.933 -1.305 1.00 36.74 ? 780 ILE A CB 1 \nATOM 621 C CG1 . ILE A 1 88 ? 14.757 35.226 -1.508 1.00 37.01 ? 780 ILE A CG1 1 \nATOM 622 C CG2 . ILE A 1 88 ? 12.566 34.586 -2.612 1.00 39.84 ? 780 ILE A CG2 1 \nATOM 623 C CD1 . ILE A 1 88 ? 15.542 34.015 -1.981 1.00 41.12 ? 780 ILE A CD1 1 \nATOM 624 N N . CYS A 1 89 ? 13.504 38.179 -1.218 1.00 34.22 ? 781 CYS A N 1 \nATOM 625 C CA . CYS A 1 89 ? 13.584 39.409 -1.968 1.00 39.58 ? 781 CYS A CA 1 \nATOM 626 C C . CYS A 1 89 ? 15.008 39.513 -2.476 1.00 42.52 ? 781 CYS A C 1 \nATOM 627 O O . CYS A 1 89 ? 15.968 39.597 -1.696 1.00 42.31 ? 781 CYS A O 1 \nATOM 628 C CB . CYS A 1 89 ? 13.209 40.593 -1.091 1.00 42.05 ? 781 CYS A CB 1 \nATOM 629 S SG . CYS A 1 89 ? 13.340 42.208 -1.900 1.00 52.46 ? 781 CYS A SG 1 \nATOM 630 N N . LEU A 1 90 ? 15.137 39.460 -3.794 1.00 40.33 ? 782 LEU A N 1 \nATOM 631 C CA . LEU A 1 90 ? 16.427 39.615 -4.427 1.00 52.46 ? 782 LEU A CA 1 \nATOM 632 C C . LEU A 1 90 ? 16.577 41.062 -4.912 1.00 57.91 ? 782 LEU A C 1 \nATOM 633 O O . LEU A 1 90 ? 15.686 41.607 -5.575 1.00 53.42 ? 782 LEU A O 1 \nATOM 634 C CB . LEU A 1 90 ? 16.593 38.602 -5.561 1.00 46.81 ? 782 LEU A CB 1 \nATOM 635 C CG . LEU A 1 90 ? 16.440 37.118 -5.193 1.00 50.02 ? 782 LEU A CG 1 \nATOM 636 C CD1 . LEU A 1 90 ? 16.409 36.255 -6.440 1.00 58.30 ? 782 LEU A CD1 1 \nATOM 637 C CD2 . LEU A 1 90 ? 17.535 36.643 -4.245 1.00 47.01 ? 782 LEU A CD2 1 \nATOM 638 N N . THR A 1 91 ? 17.681 41.688 -4.513 1.00 57.02 ? 783 THR A N 1 \nATOM 639 C CA . THR A 1 91 ? 18.058 43.033 -4.953 1.00 57.87 ? 783 THR A CA 1 \nATOM 640 C C . THR A 1 91 ? 19.559 42.976 -5.243 1.00 56.07 ? 783 THR A C 1 \nATOM 641 O O . THR A 1 91 ? 20.020 42.064 -5.932 1.00 68.18 ? 783 THR A O 1 \nATOM 642 C CB . THR A 1 91 ? 17.787 44.109 -3.877 1.00 57.17 ? 783 THR A CB 1 \nATOM 643 O OG1 . THR A 1 91 ? 18.534 43.803 -2.690 1.00 63.32 ? 783 THR A OG1 1 \nATOM 644 C CG2 . THR A 1 91 ? 16.297 44.223 -3.544 1.00 60.21 ? 783 THR A CG2 1 \nATOM 645 N N . SER A 1 92 ? 20.317 43.931 -4.705 1.00 61.57 ? 784 SER A N 1 \nATOM 646 C CA . SER A 1 92 ? 21.778 43.830 -4.658 1.00 62.64 ? 784 SER A CA 1 \nATOM 647 C C . SER A 1 92 ? 22.205 42.824 -3.584 1.00 66.71 ? 784 SER A C 1 \nATOM 648 O O . SER A 1 92 ? 23.330 42.310 -3.611 1.00 73.57 ? 784 SER A O 1 \nATOM 649 C CB . SER A 1 92 ? 22.413 45.198 -4.391 1.00 65.94 ? 784 SER A CB 1 \nATOM 650 O OG . SER A 1 92 ? 21.881 45.793 -3.219 1.00 77.36 ? 784 SER A OG 1 \nATOM 651 N N . THR A 1 93 ? 21.296 42.553 -2.644 1.00 56.80 ? 785 THR A N 1 \nATOM 652 C CA . THR A 1 93 ? 21.494 41.540 -1.602 1.00 50.80 ? 785 THR A CA 1 \nATOM 653 C C . THR A 1 93 ? 20.393 40.478 -1.669 1.00 48.30 ? 785 THR A C 1 \nATOM 654 O O . THR A 1 93 ? 19.331 40.704 -2.264 1.00 47.91 ? 785 THR A O 1 \nATOM 655 C CB . THR A 1 93 ? 21.428 42.150 -0.184 1.00 51.80 ? 785 THR A CB 1 \nATOM 656 O OG1 . THR A 1 93 ? 20.089 42.598 0.080 1.00 49.48 ? 785 THR A OG1 1 \nATOM 657 C CG2 . THR A 1 93 ? 22.410 43.311 -0.027 1.00 59.94 ? 785 THR A CG2 1 \nATOM 658 N N . VAL A 1 94 ? 20.645 39.332 -1.039 1.00 46.00 ? 786 VAL A N 1 \nATOM 659 C CA . VAL A 1 94 ? 19.597 38.329 -0.826 1.00 38.67 ? 786 VAL A CA 1 \nATOM 660 C C . VAL A 1 94 ? 18.979 38.517 0.553 1.00 36.32 ? 786 VAL A C 1 \nATOM 661 O O . VAL A 1 94 ? 19.693 38.530 1.546 1.00 39.63 ? 786 VAL A O 1 \nATOM 662 C CB . VAL A 1 94 ? 20.142 36.898 -0.953 1.00 38.01 ? 786 VAL A CB 1 \nATOM 663 C CG1 . VAL A 1 94 ? 19.031 35.871 -0.729 1.00 48.90 ? 786 VAL A CG1 1 \nATOM 664 C CG2 . VAL A 1 94 ? 20.782 36.700 -2.320 1.00 48.03 ? 786 VAL A CG2 1 \nATOM 665 N N . GLN A 1 95 ? 17.653 38.626 0.610 1.00 36.69 ? 787 GLN A N 1 \nATOM 666 C CA . GLN A 1 95 ? 16.944 38.695 1.883 1.00 35.65 ? 787 GLN A CA 1 \nATOM 667 C C . GLN A 1 95 ? 15.909 37.581 2.032 1.00 39.78 ? 787 GLN A C 1 \nATOM 668 O O . GLN A 1 95 ? 15.052 37.404 1.156 1.00 35.85 ? 787 GLN A O 1 \nATOM 669 C CB . GLN A 1 95 ? 16.259 40.049 2.058 1.00 38.83 ? 787 GLN A CB 1 \nATOM 670 C CG . GLN A 1 95 ? 17.235 41.187 2.339 1.00 38.72 ? 787 GLN A CG 1 \nATOM 671 C CD . GLN A 1 95 ? 16.536 42.518 2.516 1.00 42.16 ? 787 GLN A CD 1 \nATOM 672 O OE1 . GLN A 1 95 ? 16.253 42.927 3.638 1.00 41.78 ? 787 GLN A OE1 1 \nATOM 673 N NE2 . GLN A 1 95 ? 16.248 43.197 1.412 1.00 43.91 ? 787 GLN A NE2 1 \nATOM 674 N N . LEU A 1 96 ? 15.995 36.856 3.148 1.00 33.94 ? 788 LEU A N 1 \nATOM 675 C CA . LEU A 1 96 ? 15.086 35.737 3.441 1.00 35.29 ? 788 LEU A CA 1 \nATOM 676 C C . LEU A 1 96 ? 14.084 36.113 4.506 1.00 30.71 ? 788 LEU A C 1 \nATOM 677 O O . LEU A 1 96 ? 14.427 36.716 5.524 1.00 32.86 ? 788 LEU A O 1 \nATOM 678 C CB . LEU A 1 96 ? 15.887 34.523 3.909 1.00 32.95 ? 788 LEU A CB 1 \nATOM 679 C CG . LEU A 1 96 ? 17.028 34.042 3.026 1.00 35.16 ? 788 LEU A CG 1 \nATOM 680 C CD1 . LEU A 1 96 ? 17.745 32.897 3.724 1.00 34.86 ? 788 LEU A CD1 1 \nATOM 681 C CD2 . LEU A 1 96 ? 16.502 33.617 1.664 1.00 37.74 ? 788 LEU A CD2 1 \nATOM 682 N N . ILE A 1 97 ? 12.820 35.776 4.290 1.00 30.64 ? 789 ILE A N 1 \nATOM 683 C CA . ILE A 1 97 ? 11.799 36.205 5.231 1.00 28.88 ? 789 ILE A CA 1 \nATOM 684 C C . ILE A 1 97 ? 11.097 34.984 5.799 1.00 25.85 ? 789 ILE A C 1 \nATOM 685 O O . ILE A 1 97 ? 10.735 34.081 5.056 1.00 33.02 ? 789 ILE A O 1 \nATOM 686 C CB . ILE A 1 97 ? 10.799 37.178 4.563 1.00 34.04 ? 789 ILE A CB 1 \nATOM 687 C CG1 . ILE A 1 97 ? 11.507 38.480 4.147 1.00 37.69 ? 789 ILE A CG1 1 \nATOM 688 C CG2 . ILE A 1 97 ? 9.617 37.488 5.479 1.00 35.36 ? 789 ILE A CG2 1 \nATOM 689 C CD1 . ILE A 1 97 ? 12.058 38.438 2.739 1.00 38.70 ? 789 ILE A CD1 1 \nATOM 690 N N . THR A 1 98 ? 10.936 34.964 7.116 1.00 25.06 ? 790 THR A N 1 \nATOM 691 C CA . THR A 1 98 ? 10.342 33.827 7.816 1.00 27.17 ? 790 THR A CA 1 \nATOM 692 C C . THR A 1 98 ? 9.494 34.315 8.999 1.00 29.00 ? 790 THR A C 1 \nATOM 693 O O . THR A 1 98 ? 9.635 35.461 9.477 1.00 29.51 ? 790 THR A O 1 \nATOM 694 C CB . THR A 1 98 ? 11.412 32.818 8.305 1.00 30.02 ? 790 THR A CB 1 \nATOM 695 O OG1 . THR A 1 98 ? 10.789 31.611 8.765 1.00 34.01 ? 790 THR A OG1 1 \nATOM 696 C CG2 . THR A 1 98 ? 12.237 33.433 9.444 1.00 31.21 ? 790 THR A CG2 1 \nATOM 697 N N . GLN A 1 99 ? 8.618 33.441 9.488 1.00 30.66 ? 791 GLN A N 1 \nATOM 698 C CA . GLN A 1 99 ? 7.785 33.807 10.630 1.00 36.46 ? 791 GLN A CA 1 \nATOM 699 C C . GLN A 1 99 ? 8.674 34.148 11.824 1.00 34.02 ? 791 GLN A C 1 \nATOM 700 O O . GLN A 1 99 ? 9.592 33.396 12.152 1.00 33.64 ? 791 GLN A O 1 \nATOM 701 C CB . GLN A 1 99 ? 6.819 32.678 10.987 1.00 35.09 ? 791 GLN A CB 1 \nATOM 702 C CG . GLN A 1 99 ? 5.969 32.941 12.226 1.00 43.19 ? 791 GLN A CG 1 \nATOM 703 C CD . GLN A 1 99 ? 5.029 31.789 12.571 1.00 55.79 ? 791 GLN A CD 1 \nATOM 704 O OE1 . GLN A 1 99 ? 5.093 30.712 11.975 1.00 52.44 ? 791 GLN A OE1 1 \nATOM 705 N NE2 . GLN A 1 99 ? 4.162 32.011 13.552 1.00 61.70 ? 791 GLN A NE2 1 \nATOM 706 N N . LEU A 1 100 ? 8.411 35.287 12.464 1.00 31.17 ? 792 LEU A N 1 \nATOM 707 C CA . LEU A 1 100 ? 9.174 35.661 13.656 1.00 33.99 ? 792 LEU A CA 1 \nATOM 708 C C . LEU A 1 100 ? 8.850 34.728 14.811 1.00 43.25 ? 792 LEU A C 1 \nATOM 709 O O . LEU A 1 100 ? 7.684 34.452 15.080 1.00 34.41 ? 792 LEU A O 1 \nATOM 710 C CB . LEU A 1 100 ? 8.922 37.111 14.075 1.00 29.38 ? 792 LEU A CB 1 \nATOM 711 C CG . LEU A 1 100 ? 9.671 37.595 15.317 1.00 33.72 ? 792 LEU A CG 1 \nATOM 712 C CD1 . LEU A 1 100 ? 11.186 37.568 15.018 1.00 31.79 ? 792 LEU A CD1 1 \nATOM 713 C CD2 . LEU A 1 100 ? 9.205 38.962 15.810 1.00 33.47 ? 792 LEU A CD2 1 \nATOM 714 N N . MET A 1 101 ? 9.888 34.228 15.477 1.00 34.59 ? 793 MET A N 1 \nATOM 715 C CA . MET A 1 101 ? 9.710 33.390 16.667 1.00 38.57 ? 793 MET A CA 1 \nATOM 716 C C . MET A 1 101 ? 10.133 34.232 17.866 1.00 35.33 ? 793 MET A C 1 \nATOM 717 O O . MET A 1 101 ? 11.318 34.339 18.163 1.00 31.81 ? 793 MET A O 1 \nATOM 718 C CB . MET A 1 101 ? 10.542 32.098 16.609 1.00 31.33 ? 793 MET A CB 1 \nATOM 719 C CG . MET A 1 101 ? 10.279 31.184 15.428 1.00 47.71 ? 793 MET A CG 1 \nATOM 720 S SD . MET A 1 101 ? 8.821 30.169 15.693 1.00 56.46 ? 793 MET A SD 1 \nATOM 721 C CE . MET A 1 101 ? 7.733 30.916 14.499 1.00 48.95 ? 793 MET A CE 1 \nATOM 722 N N . PRO A 1 102 ? 9.162 34.859 18.553 1.00 35.55 ? 794 PRO A N 1 \nATOM 723 C CA . PRO A 1 102 ? 9.545 35.860 19.543 1.00 30.76 ? 794 PRO A CA 1 \nATOM 724 C C . PRO A 1 102 ? 9.986 35.307 20.884 1.00 28.26 ? 794 PRO A C 1 \nATOM 725 O O . PRO A 1 102 ? 10.447 36.072 21.701 1.00 34.35 ? 794 PRO A O 1 \nATOM 726 C CB . PRO A 1 102 ? 8.248 36.694 19.710 1.00 42.71 ? 794 PRO A CB 1 \nATOM 727 C CG . PRO A 1 102 ? 7.172 35.699 19.470 1.00 43.64 ? 794 PRO A CG 1 \nATOM 728 C CD . PRO A 1 102 ? 7.693 34.780 18.392 1.00 44.18 ? 794 PRO A CD 1 \nATOM 729 N N . PHE A 1 103 ? 9.891 33.990 21.115 1.00 29.98 ? 795 PHE A N 1 \nATOM 730 C CA . PHE A 1 103 ? 10.526 33.422 22.310 1.00 33.66 ? 795 PHE A CA 1 \nATOM 731 C C . PHE A 1 103 ? 12.029 33.222 22.148 1.00 31.23 ? 795 PHE A C 1 \nATOM 732 O O . PHE A 1 103 ? 12.724 32.956 23.132 1.00 37.68 ? 795 PHE A O 1 \nATOM 733 C CB . PHE A 1 103 ? 9.840 32.132 22.793 1.00 39.00 ? 795 PHE A CB 1 \nATOM 734 C CG . PHE A 1 103 ? 8.409 32.336 23.205 1.00 47.26 ? 795 PHE A CG 1 \nATOM 735 C CD1 . PHE A 1 103 ? 7.408 31.504 22.721 1.00 53.18 ? 795 PHE A CD1 1 \nATOM 736 C CD2 . PHE A 1 103 ? 8.058 33.381 24.059 1.00 58.22 ? 795 PHE A CD2 1 \nATOM 737 C CE1 . PHE A 1 103 ? 6.080 31.702 23.090 1.00 72.79 ? 795 PHE A CE1 1 \nATOM 738 C CE2 . PHE A 1 103 ? 6.734 33.585 24.431 1.00 64.24 ? 795 PHE A CE2 1 \nATOM 739 C CZ . PHE A 1 103 ? 5.742 32.745 23.944 1.00 67.83 ? 795 PHE A CZ 1 \nATOM 740 N N . GLY A 1 104 ? 12.521 33.370 20.915 1.00 32.03 ? 796 GLY A N 1 \nATOM 741 C CA . GLY A 1 104 ? 13.979 33.388 20.629 1.00 34.05 ? 796 GLY A CA 1 \nATOM 742 C C . GLY A 1 104 ? 14.608 32.018 20.441 1.00 33.43 ? 796 GLY A C 1 \nATOM 743 O O . GLY A 1 104 ? 13.889 31.009 20.242 1.00 31.30 ? 796 GLY A O 1 \nATOM 744 N N . CYS A 1 105 ? 15.943 31.954 20.486 1.00 30.57 ? 797 CYS A N 1 \nATOM 745 C CA . CYS A 1 105 ? 16.586 30.652 20.281 1.00 29.37 ? 797 CYS A CA 1 \nATOM 746 C C . CYS A 1 105 ? 16.668 29.805 21.550 1.00 30.71 ? 797 CYS A C 1 \nATOM 747 O O . CYS A 1 105 ? 16.623 30.314 22.695 1.00 30.01 ? 797 CYS A O 1 \nATOM 748 C CB . CYS A 1 105 ? 17.978 30.814 19.648 1.00 43.11 ? 797 CYS A CB 1 \nATOM 749 S SG . CYS A 1 105 ? 19.123 31.656 20.730 1.00 58.13 ? 797 CYS A SG 1 \nATOM 750 N N . LEU A 1 106 ? 16.791 28.495 21.342 1.00 35.30 ? 798 LEU A N 1 \nATOM 751 C CA . LEU A 1 106 ? 16.874 27.549 22.445 1.00 34.49 ? 798 LEU A CA 1 \nATOM 752 C C . LEU A 1 106 ? 18.173 27.763 23.222 1.00 29.27 ? 798 LEU A C 1 \nATOM 753 O O . LEU A 1 106 ? 18.205 27.541 24.431 1.00 31.95 ? 798 LEU A O 1 \nATOM 754 C CB . LEU A 1 106 ? 16.769 26.092 21.946 1.00 28.13 ? 798 LEU A CB 1 \nATOM 755 C CG . LEU A 1 106 ? 16.579 25.005 23.020 1.00 30.34 ? 798 LEU A CG 1 \nATOM 756 C CD1 . LEU A 1 106 ? 15.398 25.294 23.961 1.00 34.84 ? 798 LEU A CD1 1 \nATOM 757 C CD2 . LEU A 1 106 ? 16.357 23.627 22.364 1.00 29.21 ? 798 LEU A CD2 1 \nATOM 758 N N . LEU A 1 107 ? 19.221 28.218 22.540 1.00 31.78 ? 799 LEU A N 1 \nATOM 759 C CA . LEU A 1 107 ? 20.484 28.489 23.226 1.00 30.68 ? 799 LEU A CA 1 \nATOM 760 C C . LEU A 1 107 ? 20.288 29.581 24.284 1.00 32.64 ? 799 LEU A C 1 \nATOM 761 O O . LEU A 1 107 ? 20.748 29.461 25.421 1.00 31.25 ? 799 LEU A O 1 \nATOM 762 C CB . LEU A 1 107 ? 21.592 28.875 22.230 1.00 32.88 ? 799 LEU A CB 1 \nATOM 763 C CG . LEU A 1 107 ? 22.929 29.276 22.874 1.00 31.32 ? 799 LEU A CG 1 \nATOM 764 C CD1 . LEU A 1 107 ? 23.518 28.108 23.667 1.00 36.85 ? 799 LEU A CD1 1 \nATOM 765 C CD2 . LEU A 1 107 ? 23.967 29.769 21.868 1.00 36.94 ? 799 LEU A CD2 1 \nATOM 766 N N . ASP A 1 108 ? 19.583 30.643 23.912 1.00 32.68 ? 800 ASP A N 1 \nATOM 767 C CA . ASP A 1 108 ? 19.374 31.739 24.855 1.00 34.91 ? 800 ASP A CA 1 \nATOM 768 C C . ASP A 1 108 ? 18.443 31.291 25.942 1.00 31.79 ? 800 ASP A C 1 \nATOM 769 O O . ASP A 1 108 ? 18.597 31.688 27.095 1.00 32.60 ? 800 ASP A O 1 \nATOM 770 C CB . ASP A 1 108 ? 18.845 32.992 24.160 1.00 34.98 ? 800 ASP A CB 1 \nATOM 771 C CG . ASP A 1 108 ? 19.900 33.683 23.315 1.00 52.24 ? 800 ASP A CG 1 \nATOM 772 O OD1 . ASP A 1 108 ? 19.513 34.368 22.349 1.00 55.86 ? 800 ASP A OD1 1 \nATOM 773 O OD2 . ASP A 1 108 ? 21.114 33.544 23.610 1.00 50.16 ? 800 ASP A OD2 1 \nATOM 774 N N . TYR A 1 109 ? 17.485 30.434 25.575 1.00 32.99 ? 801 TYR A N 1 \nATOM 775 C CA . TYR A 1 109 ? 16.480 29.942 26.513 1.00 37.10 ? 801 TYR A CA 1 \nATOM 776 C C . TYR A 1 109 ? 17.077 29.074 27.614 1.00 36.24 ? 801 TYR A C 1 \nATOM 777 O O . TYR A 1 109 ? 16.769 29.274 28.794 1.00 36.20 ? 801 TYR A O 1 \nATOM 778 C CB . TYR A 1 109 ? 15.381 29.168 25.781 1.00 31.79 ? 801 TYR A CB 1 \nATOM 779 C CG . TYR A 1 109 ? 14.195 28.833 26.648 1.00 40.70 ? 801 TYR A CG 1 \nATOM 780 C CD1 . TYR A 1 109 ? 14.160 27.658 27.392 1.00 40.54 ? 801 TYR A CD1 1 \nATOM 781 C CD2 . TYR A 1 109 ? 13.087 29.703 26.717 1.00 40.28 ? 801 TYR A CD2 1 \nATOM 782 C CE1 . TYR A 1 109 ? 13.060 27.344 28.187 1.00 45.35 ? 801 TYR A CE1 1 \nATOM 783 C CE2 . TYR A 1 109 ? 11.985 29.402 27.512 1.00 47.53 ? 801 TYR A CE2 1 \nATOM 784 C CZ . TYR A 1 109 ? 11.979 28.223 28.241 1.00 48.21 ? 801 TYR A CZ 1 \nATOM 785 O OH . TYR A 1 109 ? 10.900 27.909 29.028 1.00 52.74 ? 801 TYR A OH 1 \nATOM 786 N N . VAL A 1 110 ? 17.945 28.132 27.248 1.00 34.38 ? 802 VAL A N 1 \nATOM 787 C CA . VAL A 1 110 ? 18.619 27.317 28.275 1.00 32.90 ? 802 VAL A CA 1 \nATOM 788 C C . VAL A 1 110 ? 19.560 28.099 29.203 1.00 35.29 ? 802 VAL A C 1 \nATOM 789 O O . VAL A 1 110 ? 19.650 27.794 30.384 1.00 36.18 ? 802 VAL A O 1 \nATOM 790 C CB . VAL A 1 110 ? 19.318 26.049 27.707 1.00 35.68 ? 802 VAL A CB 1 \nATOM 791 C CG1 . VAL A 1 110 ? 18.309 25.183 26.975 1.00 32.43 ? 802 VAL A CG1 1 \nATOM 792 C CG2 . VAL A 1 110 ? 20.491 26.388 26.799 1.00 30.24 ? 802 VAL A CG2 1 \nATOM 793 N N . ARG A 1 111 ? 20.273 29.077 28.652 1.00 35.21 ? 803 ARG A N 1 \nATOM 794 C CA . ARG A 1 111 ? 21.118 29.983 29.430 1.00 34.14 ? 803 ARG A CA 1 \nATOM 795 C C . ARG A 1 111 ? 20.283 30.806 30.422 1.00 34.89 ? 803 ARG A C 1 \nATOM 796 O O . ARG A 1 111 ? 20.659 30.943 31.581 1.00 36.87 ? 803 ARG A O 1 \nATOM 797 C CB . ARG A 1 111 ? 21.882 30.923 28.493 1.00 37.80 ? 803 ARG A CB 1 \nATOM 798 C CG . ARG A 1 111 ? 23.077 30.252 27.824 1.00 40.47 ? 803 ARG A CG 1 \nATOM 799 C CD . ARG A 1 111 ? 23.626 31.102 26.693 1.00 37.81 ? 803 ARG A CD 1 \nATOM 800 N NE . ARG A 1 111 ? 24.840 30.526 26.094 1.00 31.61 ? 803 ARG A NE 1 \nATOM 801 C CZ . ARG A 1 111 ? 25.558 31.121 25.144 1.00 42.39 ? 803 ARG A CZ 1 \nATOM 802 N NH1 . ARG A 1 111 ? 25.187 32.304 24.666 1.00 40.81 ? 803 ARG A NH1 1 \nATOM 803 N NH2 . ARG A 1 111 ? 26.647 30.541 24.660 1.00 37.03 ? 803 ARG A NH2 1 \nATOM 804 N N . GLU A 1 112 ? 19.133 31.303 29.973 1.00 38.72 ? 804 GLU A N 1 \nATOM 805 C CA . GLU A 1 112 ? 18.271 32.145 30.822 1.00 41.32 ? 804 GLU A CA 1 \nATOM 806 C C . GLU A 1 112 ? 17.514 31.355 31.902 1.00 49.15 ? 804 GLU A C 1 \nATOM 807 O O . GLU A 1 112 ? 17.378 31.812 33.048 1.00 42.48 ? 804 GLU A O 1 \nATOM 808 C CB . GLU A 1 112 ? 17.299 32.946 29.948 1.00 41.36 ? 804 GLU A CB 1 \nATOM 809 C CG . GLU A 1 112 ? 16.339 33.862 30.708 1.00 59.06 ? 804 GLU A CG 1 \nATOM 810 C CD . GLU A 1 112 ? 16.924 35.233 31.006 1.00 77.26 ? 804 GLU A CD 1 \nATOM 811 O OE1 . GLU A 1 112 ? 18.167 35.388 30.997 1.00 77.65 ? 804 GLU A OE1 1 \nATOM 812 O OE2 . GLU A 1 112 ? 16.130 36.168 31.246 1.00 98.71 ? 804 GLU A OE2 1 \nATOM 813 N N . HIS A 1 113 ? 17.039 30.166 31.541 1.00 38.93 ? 805 HIS A N 1 \nATOM 814 C CA . HIS A 1 113 ? 16.138 29.400 32.401 1.00 43.34 ? 805 HIS A CA 1 \nATOM 815 C C . HIS A 1 113 ? 16.748 28.177 33.068 1.00 43.35 ? 805 HIS A C 1 \nATOM 816 O O . HIS A 1 113 ? 16.020 27.342 33.600 1.00 51.79 ? 805 HIS A O 1 \nATOM 817 C CB . HIS A 1 113 ? 14.870 29.006 31.632 1.00 44.55 ? 805 HIS A CB 1 \nATOM 818 C CG . HIS A 1 113 ? 14.083 30.182 31.156 1.00 52.86 ? 805 HIS A CG 1 \nATOM 819 N ND1 . HIS A 1 113 ? 14.167 30.660 29.867 1.00 54.67 ? 805 HIS A ND1 1 \nATOM 820 C CD2 . HIS A 1 113 ? 13.232 31.007 31.809 1.00 55.38 ? 805 HIS A CD2 1 \nATOM 821 C CE1 . HIS A 1 113 ? 13.389 31.720 29.742 1.00 60.50 ? 805 HIS A CE1 1 \nATOM 822 N NE2 . HIS A 1 113 ? 12.809 31.950 30.905 1.00 62.29 ? 805 HIS A NE2 1 \nATOM 823 N N . LYS A 1 114 ? 18.074 28.090 33.066 1.00 44.74 ? 806 LYS A N 1 \nATOM 824 C CA . LYS A 1 114 ? 18.785 26.942 33.615 1.00 45.17 ? 806 LYS A CA 1 \nATOM 825 C C . LYS A 1 114 ? 18.172 26.384 34.918 1.00 56.68 ? 806 LYS A C 1 \nATOM 826 O O . LYS A 1 114 ? 17.865 25.192 35.011 1.00 53.97 ? 806 LYS A O 1 \nATOM 827 C CB . LYS A 1 114 ? 20.268 27.288 33.806 1.00 43.12 ? 806 LYS A CB 1 \nATOM 828 C CG . LYS A 1 114 ? 21.042 26.183 34.499 1.00 58.87 ? 806 LYS A CG 1 \nATOM 829 C CD . LYS A 1 114 ? 22.491 26.560 34.763 1.00 64.56 ? 806 LYS A CD 1 \nATOM 830 C CE . LYS A 1 114 ? 23.200 25.398 35.441 1.00 65.16 ? 806 LYS A CE 1 \nATOM 831 N NZ . LYS A 1 114 ? 24.382 25.844 36.218 1.00 60.36 ? 806 LYS A NZ 1 \nATOM 832 N N . ASP A 1 115 ? 17.965 27.256 35.904 1.00 53.18 ? 807 ASP A N 1 \nATOM 833 C CA . ASP A 1 115 ? 17.482 26.843 37.231 1.00 56.78 ? 807 ASP A CA 1 \nATOM 834 C C . ASP A 1 115 ? 16.028 26.323 37.271 1.00 63.01 ? 807 ASP A C 1 \nATOM 835 O O . ASP A 1 115 ? 15.553 25.851 38.313 1.00 56.81 ? 807 ASP A O 1 \nATOM 836 C CB . ASP A 1 115 ? 17.667 27.995 38.233 1.00 62.76 ? 807 ASP A CB 1 \nATOM 837 C CG . ASP A 1 115 ? 19.124 28.431 38.363 1.00 73.79 ? 807 ASP A CG 1 \nATOM 838 O OD1 . ASP A 1 115 ? 20.027 27.618 38.050 1.00 68.87 ? 807 ASP A OD1 1 \nATOM 839 O OD2 . ASP A 1 115 ? 19.366 29.586 38.782 1.00 75.03 ? 807 ASP A OD2 1 \nATOM 840 N N . ASN A 1 116 ? 15.330 26.396 36.142 1.00 45.89 ? 808 ASN A N 1 \nATOM 841 C CA . ASN A 1 116 ? 13.943 25.914 36.067 1.00 56.29 ? 808 ASN A CA 1 \nATOM 842 C C . ASN A 1 116 ? 13.695 24.837 35.025 1.00 52.02 ? 808 ASN A C 1 \nATOM 843 O O . ASN A 1 116 ? 12.554 24.400 34.845 1.00 49.29 ? 808 ASN A O 1 \nATOM 844 C CB . ASN A 1 116 ? 12.980 27.078 35.838 1.00 48.40 ? 808 ASN A CB 1 \nATOM 845 C CG . ASN A 1 116 ? 12.826 27.946 37.065 1.00 62.63 ? 808 ASN A CG 1 \nATOM 846 O OD1 . ASN A 1 116 ? 12.477 27.461 38.144 1.00 73.28 ? 808 ASN A OD1 1 \nATOM 847 N ND2 . ASN A 1 116 ? 13.085 29.238 36.909 1.00 61.06 ? 808 ASN A ND2 1 \nATOM 848 N N . ILE A 1 117 ? 14.753 24.416 34.339 1.00 48.57 ? 809 ILE A N 1 \nATOM 849 C CA . ILE A 1 117 ? 14.637 23.400 33.288 1.00 41.03 ? 809 ILE A CA 1 \nATOM 850 C C . ILE A 1 117 ? 14.874 21.999 33.849 1.00 45.86 ? 809 ILE A C 1 \nATOM 851 O O . ILE A 1 117 ? 15.958 21.694 34.351 1.00 41.10 ? 809 ILE A O 1 \nATOM 852 C CB . ILE A 1 117 ? 15.604 23.686 32.115 1.00 41.13 ? 809 ILE A CB 1 \nATOM 853 C CG1 . ILE A 1 117 ? 15.190 24.972 31.390 1.00 35.35 ? 809 ILE A CG1 1 \nATOM 854 C CG2 . ILE A 1 117 ? 15.645 22.510 31.144 1.00 38.57 ? 809 ILE A CG2 1 \nATOM 855 C CD1 . ILE A 1 117 ? 16.272 25.545 30.484 1.00 34.81 ? 809 ILE A CD1 1 \nATOM 856 N N . GLY A 1 118 ? 13.852 21.151 33.736 1.00 42.20 ? 810 GLY A N 1 \nATOM 857 C CA . GLY A 1 118 ? 13.925 19.761 34.180 1.00 45.43 ? 810 GLY A CA 1 \nATOM 858 C C . GLY A 1 118 ? 14.296 18.770 33.086 1.00 40.55 ? 810 GLY A C 1 \nATOM 859 O O . GLY A 1 118 ? 14.349 19.116 31.901 1.00 40.46 ? 810 GLY A O 1 \nATOM 860 N N . SER A 1 119 ? 14.534 17.525 33.485 1.00 36.70 ? 811 SER A N 1 \nATOM 861 C CA . SER A 1 119 ? 15.009 16.508 32.567 1.00 39.63 ? 811 SER A CA 1 \nATOM 862 C C . SER A 1 119 ? 14.044 16.236 31.431 1.00 40.65 ? 811 SER A C 1 \nATOM 863 O O . SER A 1 119 ? 14.482 15.944 30.322 1.00 35.55 ? 811 SER A O 1 \nATOM 864 C CB . SER A 1 119 ? 15.310 15.211 33.314 1.00 42.84 ? 811 SER A CB 1 \nATOM 865 O OG . SER A 1 119 ? 14.205 14.860 34.128 1.00 46.09 ? 811 SER A OG 1 \nATOM 866 N N . GLN A 1 120 ? 12.738 16.306 31.721 1.00 36.00 ? 812 GLN A N 1 \nATOM 867 C CA . GLN A 1 120 ? 11.706 16.021 30.737 1.00 37.19 ? 812 GLN A CA 1 \nATOM 868 C C . GLN A 1 120 ? 11.785 16.967 29.549 1.00 36.52 ? 812 GLN A C 1 \nATOM 869 O O . GLN A 1 120 ? 11.662 16.540 28.397 1.00 33.95 ? 812 GLN A O 1 \nATOM 870 C CB . GLN A 1 120 ? 10.313 16.118 31.379 1.00 42.80 ? 812 GLN A CB 1 \nATOM 871 C CG . GLN A 1 120 ? 9.171 15.675 30.473 1.00 41.78 ? 812 GLN A CG 1 \nATOM 872 C CD . GLN A 1 120 ? 9.182 14.179 30.210 1.00 46.95 ? 812 GLN A CD 1 \nATOM 873 O OE1 . GLN A 1 120 ? 8.750 13.390 31.044 1.00 44.42 ? 812 GLN A OE1 1 \nATOM 874 N NE2 . GLN A 1 120 ? 9.675 13.785 29.044 1.00 42.08 ? 812 GLN A NE2 1 \nATOM 875 N N . TYR A 1 121 ? 11.963 18.254 29.832 1.00 32.34 ? 813 TYR A N 1 \nATOM 876 C CA . TYR A 1 121 ? 12.030 19.240 28.771 1.00 32.29 ? 813 TYR A CA 1 \nATOM 877 C C . TYR A 1 121 ? 13.266 19.034 27.908 1.00 31.16 ? 813 TYR A C 1 \nATOM 878 O O . TYR A 1 121 ? 13.163 19.089 26.680 1.00 29.68 ? 813 TYR A O 1 \nATOM 879 C CB . TYR A 1 121 ? 12.024 20.652 29.344 1.00 38.14 ? 813 TYR A CB 1 \nATOM 880 C CG . TYR A 1 121 ? 10.622 21.155 29.638 1.00 51.63 ? 813 TYR A CG 1 \nATOM 881 C CD1 . TYR A 1 121 ? 9.906 21.869 28.679 1.00 54.26 ? 813 TYR A CD1 1 \nATOM 882 C CD2 . TYR A 1 121 ? 10.009 20.895 30.864 1.00 53.00 ? 813 TYR A CD2 1 \nATOM 883 C CE1 . TYR A 1 121 ? 8.622 22.329 28.940 1.00 68.44 ? 813 TYR A CE1 1 \nATOM 884 C CE2 . TYR A 1 121 ? 8.726 21.352 31.135 1.00 63.66 ? 813 TYR A CE2 1 \nATOM 885 C CZ . TYR A 1 121 ? 8.039 22.066 30.169 1.00 71.43 ? 813 TYR A CZ 1 \nATOM 886 O OH . TYR A 1 121 ? 6.767 22.523 30.430 1.00 76.05 ? 813 TYR A OH 1 \nATOM 887 N N . LEU A 1 122 ? 14.420 18.807 28.549 1.00 36.58 ? 814 LEU A N 1 \nATOM 888 C CA . LEU A 1 122 ? 15.674 18.661 27.821 1.00 30.86 ? 814 LEU A CA 1 \nATOM 889 C C . LEU A 1 122 ? 15.637 17.463 26.892 1.00 35.35 ? 814 LEU A C 1 \nATOM 890 O O . LEU A 1 122 ? 16.056 17.551 25.749 1.00 32.61 ? 814 LEU A O 1 \nATOM 891 C CB . LEU A 1 122 ? 16.871 18.486 28.781 1.00 34.36 ? 814 LEU A CB 1 \nATOM 892 C CG . LEU A 1 122 ? 17.315 19.756 29.502 1.00 32.88 ? 814 LEU A CG 1 \nATOM 893 C CD1 . LEU A 1 122 ? 18.045 19.417 30.796 1.00 31.09 ? 814 LEU A CD1 1 \nATOM 894 C CD2 . LEU A 1 122 ? 18.149 20.612 28.556 1.00 31.70 ? 814 LEU A CD2 1 \nATOM 895 N N . LEU A 1 123 ? 15.127 16.340 27.389 1.00 32.49 ? 815 LEU A N 1 \nATOM 896 C CA . LEU A 1 123 ? 15.018 15.148 26.557 1.00 32.42 ? 815 LEU A CA 1 \nATOM 897 C C . LEU A 1 123 ? 13.996 15.297 25.445 1.00 28.76 ? 815 LEU A C 1 \nATOM 898 O O . LEU A 1 123 ? 14.208 14.802 24.337 1.00 26.06 ? 815 LEU A O 1 \nATOM 899 C CB . LEU A 1 123 ? 14.741 13.911 27.415 1.00 29.83 ? 815 LEU A CB 1 \nATOM 900 C CG . LEU A 1 123 ? 15.915 13.501 28.312 1.00 33.92 ? 815 LEU A CG 1 \nATOM 901 C CD1 . LEU A 1 123 ? 15.462 12.483 29.345 1.00 36.17 ? 815 LEU A CD1 1 \nATOM 902 C CD2 . LEU A 1 123 ? 17.080 12.941 27.508 1.00 37.71 ? 815 LEU A CD2 1 \nATOM 903 N N . ASN A 1 124 ? 12.867 15.947 25.736 1.00 30.63 ? 816 ASN A N 1 \nATOM 904 C CA . ASN A 1 124 ? 11.881 16.223 24.681 1.00 31.65 ? 816 ASN A CA 1 \nATOM 905 C C . ASN A 1 124 ? 12.464 17.122 23.582 1.00 28.45 ? 816 ASN A C 1 \nATOM 906 O O . ASN A 1 124 ? 12.242 16.892 22.404 1.00 28.56 ? 816 ASN A O 1 \nATOM 907 C CB . ASN A 1 124 ? 10.589 16.848 25.249 1.00 31.15 ? 816 ASN A CB 1 \nATOM 908 C CG . ASN A 1 124 ? 9.707 15.839 25.984 1.00 41.85 ? 816 ASN A CG 1 \nATOM 909 O OD1 . ASN A 1 124 ? 9.945 14.631 25.965 1.00 44.46 ? 816 ASN A OD1 1 \nATOM 910 N ND2 . ASN A 1 124 ? 8.653 16.349 26.627 1.00 44.28 ? 816 ASN A ND2 1 \nATOM 911 N N . TRP A 1 125 ? 13.245 18.122 23.953 1.00 31.52 ? 817 TRP A N 1 \nATOM 912 C CA . TRP A 1 125 ? 13.885 18.918 22.908 1.00 34.10 ? 817 TRP A CA 1 \nATOM 913 C C . TRP A 1 125 ? 14.764 18.075 21.997 1.00 28.46 ? 817 TRP A C 1 \nATOM 914 O O . TRP A 1 125 ? 14.776 18.295 20.785 1.00 27.78 ? 817 TRP A O 1 \nATOM 915 C CB . TRP A 1 125 ? 14.656 20.106 23.455 1.00 35.22 ? 817 TRP A CB 1 \nATOM 916 C CG . TRP A 1 125 ? 13.763 21.120 24.175 1.00 35.48 ? 817 TRP A CG 1 \nATOM 917 C CD1 . TRP A 1 125 ? 12.435 21.414 23.920 1.00 38.29 ? 817 TRP A CD1 1 \nATOM 918 C CD2 . TRP A 1 125 ? 14.147 21.925 25.286 1.00 33.22 ? 817 TRP A CD2 1 \nATOM 919 N NE1 . TRP A 1 125 ? 11.996 22.373 24.796 1.00 34.21 ? 817 TRP A NE1 1 \nATOM 920 C CE2 . TRP A 1 125 ? 13.019 22.700 25.653 1.00 42.26 ? 817 TRP A CE2 1 \nATOM 921 C CE3 . TRP A 1 125 ? 15.343 22.066 26.017 1.00 35.06 ? 817 TRP A CE3 1 \nATOM 922 C CZ2 . TRP A 1 125 ? 13.048 23.613 26.725 1.00 36.27 ? 817 TRP A CZ2 1 \nATOM 923 C CZ3 . TRP A 1 125 ? 15.376 22.974 27.084 1.00 37.42 ? 817 TRP A CZ3 1 \nATOM 924 C CH2 . TRP A 1 125 ? 14.226 23.738 27.424 1.00 39.45 ? 817 TRP A CH2 1 \nATOM 925 N N . CYS A 1 126 ? 15.495 17.121 22.578 1.00 31.30 ? 818 CYS A N 1 \nATOM 926 C CA . CYS A 1 126 ? 16.398 16.272 21.797 1.00 28.29 ? 818 CYS A CA 1 \nATOM 927 C C . CYS A 1 126 ? 15.629 15.435 20.803 1.00 27.53 ? 818 CYS A C 1 \nATOM 928 O O . CYS A 1 126 ? 16.079 15.239 19.659 1.00 24.60 ? 818 CYS A O 1 \nATOM 929 C CB . CYS A 1 126 ? 17.216 15.373 22.712 1.00 30.70 ? 818 CYS A CB 1 \nATOM 930 S SG . CYS A 1 126 ? 18.371 16.323 23.741 1.00 32.48 ? 818 CYS A SG 1 \nATOM 931 N N . VAL A 1 127 ? 14.447 14.962 21.226 1.00 29.56 ? 819 VAL A N 1 \nATOM 932 C CA . VAL A 1 127 ? 13.585 14.184 20.330 1.00 26.87 ? 819 VAL A CA 1 \nATOM 933 C C . VAL A 1 127 ? 13.133 15.070 19.189 1.00 22.48 ? 819 VAL A C 1 \nATOM 934 O O . VAL A 1 127 ? 13.221 14.688 18.026 1.00 27.83 ? 819 VAL A O 1 \nATOM 935 C CB . VAL A 1 127 ? 12.334 13.601 21.046 1.00 30.60 ? 819 VAL A CB 1 \nATOM 936 C CG1 . VAL A 1 127 ? 11.386 12.992 20.031 1.00 33.23 ? 819 VAL A CG1 1 \nATOM 937 C CG2 . VAL A 1 127 ? 12.751 12.531 22.052 1.00 33.03 ? 819 VAL A CG2 1 \nATOM 938 N N . GLN A 1 128 ? 12.588 16.240 19.538 1.00 25.20 ? 820 GLN A N 1 \nATOM 939 C CA . GLN A 1 128 ? 12.071 17.161 18.544 1.00 24.15 ? 820 GLN A CA 1 \nATOM 940 C C . GLN A 1 128 ? 13.084 17.584 17.506 1.00 28.99 ? 820 GLN A C 1 \nATOM 941 O O . GLN A 1 128 ? 12.771 17.653 16.320 1.00 26.26 ? 820 GLN A O 1 \nATOM 942 C CB . GLN A 1 128 ? 11.485 18.387 19.236 1.00 30.21 ? 820 GLN A CB 1 \nATOM 943 C CG . GLN A 1 128 ? 10.167 18.044 19.948 1.00 29.63 ? 820 GLN A CG 1 \nATOM 944 C CD . GLN A 1 128 ? 9.625 19.192 20.778 1.00 40.17 ? 820 GLN A CD 1 \nATOM 945 O OE1 . GLN A 1 128 ? 10.012 20.344 20.586 1.00 38.95 ? 820 GLN A OE1 1 \nATOM 946 N NE2 . GLN A 1 128 ? 8.715 18.876 21.719 1.00 39.16 ? 820 GLN A NE2 1 \nATOM 947 N N . ILE A 1 129 ? 14.286 17.887 17.970 1.00 26.92 ? 821 ILE A N 1 \nATOM 948 C CA . ILE A 1 129 ? 15.378 18.243 17.044 1.00 27.15 ? 821 ILE A CA 1 \nATOM 949 C C . ILE A 1 129 ? 15.708 17.057 16.121 1.00 21.32 ? 821 ILE A C 1 \nATOM 950 O O . ILE A 1 129 ? 15.835 17.221 14.917 1.00 22.85 ? 821 ILE A O 1 \nATOM 951 C CB . ILE A 1 129 ? 16.633 18.777 17.769 1.00 28.62 ? 821 ILE A CB 1 \nATOM 952 C CG1 . ILE A 1 129 ? 16.328 20.096 18.516 1.00 25.26 ? 821 ILE A CG1 1 \nATOM 953 C CG2 . ILE A 1 129 ? 17.749 18.986 16.749 1.00 24.04 ? 821 ILE A CG2 1 \nATOM 954 C CD1 . ILE A 1 129 ? 17.358 20.475 19.579 1.00 24.33 ? 821 ILE A CD1 1 \nATOM 955 N N . ALA A 1 130 ? 15.776 15.855 16.678 1.00 23.15 ? 822 ALA A N 1 \nATOM 956 C CA . ALA A 1 130 ? 16.024 14.676 15.861 1.00 26.29 ? 822 ALA A CA 1 \nATOM 957 C C . ALA A 1 130 ? 14.870 14.421 14.888 1.00 22.85 ? 822 ALA A C 1 \nATOM 958 O O . ALA A 1 130 ? 15.078 14.004 13.766 1.00 22.39 ? 822 ALA A O 1 \nATOM 959 C CB . ALA A 1 130 ? 16.303 13.459 16.738 1.00 32.12 ? 822 ALA A CB 1 \nATOM 960 N N . LYS A 1 131 ? 13.620 14.706 15.281 1.00 22.94 ? 823 LYS A N 1 \nATOM 961 C CA . LYS A 1 131 ? 12.570 14.518 14.276 1.00 24.82 ? 823 LYS A CA 1 \nATOM 962 C C . LYS A 1 131 ? 12.712 15.503 13.100 1.00 23.26 ? 823 LYS A C 1 \nATOM 963 O O . LYS A 1 131 ? 12.557 15.124 11.928 1.00 26.11 ? 823 LYS A O 1 \nATOM 964 C CB . LYS A 1 131 ? 11.183 14.694 14.927 1.00 22.51 ? 823 LYS A CB 1 \nATOM 965 C CG . LYS A 1 131 ? 10.779 13.603 15.894 1.00 28.59 ? 823 LYS A CG 1 \nATOM 966 C CD . LYS A 1 131 ? 9.395 13.859 16.515 1.00 31.72 ? 823 LYS A CD 1 \nATOM 967 C CE . LYS A 1 131 ? 9.078 12.757 17.512 1.00 37.15 ? 823 LYS A CE 1 \nATOM 968 N NZ . LYS A 1 131 ? 7.670 12.819 18.034 1.00 38.50 ? 823 LYS A NZ 1 \nATOM 969 N N . GLY A 1 132 ? 12.985 16.775 13.391 1.00 25.36 ? 824 GLY A N 1 \nATOM 970 C CA . GLY A 1 132 ? 13.145 17.759 12.309 1.00 29.39 ? 824 GLY A CA 1 \nATOM 971 C C . GLY A 1 132 ? 14.330 17.419 11.403 1.00 26.12 ? 824 GLY A C 1 \nATOM 972 O O . GLY A 1 132 ? 14.287 17.590 10.179 1.00 24.27 ? 824 GLY A O 1 \nATOM 973 N N . MET A 1 133 ? 15.416 16.956 12.009 1.00 27.53 ? 825 MET A N 1 \nATOM 974 C CA . MET A 1 133 ? 16.585 16.546 11.189 1.00 24.74 ? 825 MET A CA 1 \nATOM 975 C C . MET A 1 133 ? 16.271 15.293 10.348 1.00 23.11 ? 825 MET A C 1 \nATOM 976 O O . MET A 1 133 ? 16.627 15.224 9.171 1.00 25.98 ? 825 MET A O 1 \nATOM 977 C CB . MET A 1 133 ? 17.820 16.335 12.068 1.00 26.81 ? 825 MET A CB 1 \nATOM 978 C CG . MET A 1 133 ? 18.301 17.619 12.738 1.00 28.15 ? 825 MET A CG 1 \nATOM 979 S SD . MET A 1 133 ? 18.784 18.939 11.613 1.00 28.88 ? 825 MET A SD 1 \nATOM 980 C CE . MET A 1 133 ? 20.287 18.281 10.877 1.00 27.33 ? 825 MET A CE 1 \nATOM 981 N N . ASN A 1 134 ? 15.517 14.352 10.905 1.00 27.36 ? 826 ASN A N 1 \nATOM 982 C CA . ASN A 1 134 ? 15.105 13.212 10.109 1.00 26.66 ? 826 ASN A CA 1 \nATOM 983 C C . ASN A 1 134 ? 14.194 13.641 8.933 1.00 24.20 ? 826 ASN A C 1 \nATOM 984 O O . ASN A 1 134 ? 14.274 13.071 7.825 1.00 22.04 ? 826 ASN A O 1 \nATOM 985 C CB . ASN A 1 134 ? 14.425 12.149 10.976 1.00 26.04 ? 826 ASN A CB 1 \nATOM 986 C CG . ASN A 1 134 ? 14.052 10.912 10.187 1.00 28.55 ? 826 ASN A CG 1 \nATOM 987 O OD1 . ASN A 1 134 ? 14.915 10.179 9.684 1.00 27.71 ? 826 ASN A OD1 1 \nATOM 988 N ND2 . ASN A 1 134 ? 12.746 10.665 10.078 1.00 31.03 ? 826 ASN A ND2 1 \nATOM 989 N N . TYR A 1 135 ? 13.365 14.662 9.159 1.00 30.63 ? 827 TYR A N 1 \nATOM 990 C CA . TYR A 1 135 ? 12.519 15.203 8.080 1.00 29.94 ? 827 TYR A CA 1 \nATOM 991 C C . TYR A 1 135 ? 13.389 15.835 7.001 1.00 30.42 ? 827 TYR A C 1 \nATOM 992 O O . TYR A 1 135 ? 13.182 15.591 5.813 1.00 26.26 ? 827 TYR A O 1 \nATOM 993 C CB . TYR A 1 135 ? 11.488 16.219 8.608 1.00 27.76 ? 827 TYR A CB 1 \nATOM 994 C CG . TYR A 1 135 ? 10.671 16.810 7.495 1.00 26.46 ? 827 TYR A CG 1 \nATOM 995 C CD1 . TYR A 1 135 ? 9.442 16.223 7.089 1.00 28.24 ? 827 TYR A CD1 1 \nATOM 996 C CD2 . TYR A 1 135 ? 11.074 17.986 6.891 1.00 26.58 ? 827 TYR A CD2 1 \nATOM 997 C CE1 . TYR A 1 135 ? 8.711 16.792 6.051 1.00 24.43 ? 827 TYR A CE1 1 \nATOM 998 C CE2 . TYR A 1 135 ? 10.380 18.533 5.846 1.00 24.77 ? 827 TYR A CE2 1 \nATOM 999 C CZ . TYR A 1 135 ? 9.154 17.955 5.472 1.00 29.96 ? 827 TYR A CZ 1 \nATOM 1000 O OH . TYR A 1 135 ? 8.510 18.524 4.443 1.00 28.47 ? 827 TYR A OH 1 \nATOM 1001 N N . LEU A 1 136 ? 14.400 16.619 7.395 1.00 28.36 ? 828 LEU A N 1 \nATOM 1002 C CA . LEU A 1 136 ? 15.313 17.165 6.391 1.00 30.91 ? 828 LEU A CA 1 \nATOM 1003 C C . LEU A 1 136 ? 16.033 16.056 5.597 1.00 25.76 ? 828 LEU A C 1 \nATOM 1004 O O . LEU A 1 136 ? 16.242 16.188 4.400 1.00 24.44 ? 828 LEU A O 1 \nATOM 1005 C CB . LEU A 1 136 ? 16.298 18.149 7.029 1.00 24.38 ? 828 LEU A CB 1 \nATOM 1006 C CG . LEU A 1 136 ? 15.708 19.448 7.601 1.00 26.71 ? 828 LEU A CG 1 \nATOM 1007 C CD1 . LEU A 1 136 ? 16.776 20.314 8.270 1.00 34.46 ? 828 LEU A CD1 1 \nATOM 1008 C CD2 . LEU A 1 136 ? 15.025 20.236 6.478 1.00 32.58 ? 828 LEU A CD2 1 \nATOM 1009 N N . GLU A 1 137 ? 16.362 14.944 6.253 1.00 26.25 ? 829 GLU A N 1 \nATOM 1010 C CA . GLU A 1 137 ? 17.037 13.848 5.551 1.00 25.11 ? 829 GLU A CA 1 \nATOM 1011 C C . GLU A 1 137 ? 16.085 13.197 4.524 1.00 28.25 ? 829 GLU A C 1 \nATOM 1012 O O . GLU A 1 137 ? 16.466 12.860 3.407 1.00 26.58 ? 829 GLU A O 1 \nATOM 1013 C CB . GLU A 1 137 ? 17.688 12.862 6.540 1.00 24.51 ? 829 GLU A CB 1 \nATOM 1014 C CG . GLU A 1 137 ? 18.425 11.676 5.898 1.00 30.84 ? 829 GLU A CG 1 \nATOM 1015 C CD . GLU A 1 137 ? 19.136 10.739 6.887 1.00 29.05 ? 829 GLU A CD 1 \nATOM 1016 O OE1 . GLU A 1 137 ? 19.042 10.932 8.126 1.00 33.17 ? 829 GLU A OE1 1 \nATOM 1017 O OE2 . GLU A 1 137 ? 19.758 9.762 6.413 1.00 25.79 ? 829 GLU A OE2 1 \nATOM 1018 N N . ASP A 1 138 ? 14.822 13.067 4.895 1.00 28.69 ? 830 ASP A N 1 \nATOM 1019 C CA . ASP A 1 138 ? 13.805 12.642 3.916 1.00 32.95 ? 830 ASP A CA 1 \nATOM 1020 C C . ASP A 1 138 ? 13.687 13.610 2.727 1.00 30.22 ? 830 ASP A C 1 \nATOM 1021 O O . ASP A 1 138 ? 13.474 13.181 1.591 1.00 31.90 ? 830 ASP A O 1 \nATOM 1022 C CB . ASP A 1 138 ? 12.453 12.404 4.600 1.00 30.71 ? 830 ASP A CB 1 \nATOM 1023 C CG . ASP A 1 138 ? 12.429 11.120 5.445 1.00 33.56 ? 830 ASP A CG 1 \nATOM 1024 O OD1 . ASP A 1 138 ? 11.726 11.097 6.469 1.00 33.94 ? 830 ASP A OD1 1 \nATOM 1025 O OD2 . ASP A 1 138 ? 13.131 10.142 5.116 1.00 34.53 ? 830 ASP A OD2 1 \nATOM 1026 N N . ARG A 1 139 ? 13.844 14.905 2.985 1.00 24.69 ? 831 ARG A N 1 \nATOM 1027 C CA . ARG A 1 139 ? 13.849 15.901 1.922 1.00 27.76 ? 831 ARG A CA 1 \nATOM 1028 C C . ARG A 1 139 ? 15.213 15.968 1.207 1.00 30.75 ? 831 ARG A C 1 \nATOM 1029 O O . ARG A 1 139 ? 15.390 16.755 0.314 1.00 33.68 ? 831 ARG A O 1 \nATOM 1030 C CB . ARG A 1 139 ? 13.443 17.294 2.460 1.00 31.23 ? 831 ARG A CB 1 \nATOM 1031 C CG . ARG A 1 139 ? 11.941 17.456 2.717 1.00 48.98 ? 831 ARG A CG 1 \nATOM 1032 C CD . ARG A 1 139 ? 11.132 17.048 1.486 1.00 54.64 ? 831 ARG A CD 1 \nATOM 1033 N NE . ARG A 1 139 ? 9.727 17.486 1.420 1.00 61.13 ? 831 ARG A NE 1 \nATOM 1034 C CZ . ARG A 1 139 ? 9.329 18.755 1.320 1.00 57.98 ? 831 ARG A CZ 1 \nATOM 1035 N NH1 . ARG A 1 139 ? 8.030 19.054 1.222 1.00 43.34 ? 831 ARG A NH1 1 \nATOM 1036 N NH2 . ARG A 1 139 ? 10.224 19.734 1.332 1.00 75.24 ? 831 ARG A NH2 1 \nATOM 1037 N N . ARG A 1 140 ? 16.169 15.134 1.608 1.00 32.01 ? 832 ARG A N 1 \nATOM 1038 C CA . ARG A 1 140 ? 17.523 15.181 0.987 1.00 25.88 ? 832 ARG A CA 1 \nATOM 1039 C C . ARG A 1 140 ? 18.165 16.581 1.055 1.00 26.82 ? 832 ARG A C 1 \nATOM 1040 O O . ARG A 1 140 ? 18.870 17.014 0.144 1.00 39.99 ? 832 ARG A O 1 \nATOM 1041 C CB . ARG A 1 140 ? 17.481 14.595 -0.449 1.00 26.75 ? 832 ARG A CB 1 \nATOM 1042 C CG . ARG A 1 140 ? 16.852 13.203 -0.493 1.00 38.69 ? 832 ARG A CG 1 \nATOM 1043 C CD . ARG A 1 140 ? 16.749 12.615 -1.901 1.00 44.66 ? 832 ARG A CD 1 \nATOM 1044 N NE . ARG A 1 140 ? 18.060 12.375 -2.490 1.00 43.81 ? 832 ARG A NE 1 \nATOM 1045 C CZ . ARG A 1 140 ? 18.292 12.142 -3.782 1.00 59.18 ? 832 ARG A CZ 1 \nATOM 1046 N NH1 . ARG A 1 140 ? 19.539 11.932 -4.198 1.00 65.97 ? 832 ARG A NH1 1 \nATOM 1047 N NH2 . ARG A 1 140 ? 17.295 12.120 -4.663 1.00 52.24 ? 832 ARG A NH2 1 \nATOM 1048 N N . LEU A 1 141 ? 17.972 17.251 2.186 1.00 27.81 ? 833 LEU A N 1 \nATOM 1049 C CA . LEU A 1 141 ? 18.510 18.577 2.418 1.00 34.21 ? 833 LEU A CA 1 \nATOM 1050 C C . LEU A 1 141 ? 19.449 18.523 3.624 1.00 34.74 ? 833 LEU A C 1 \nATOM 1051 O O . LEU A 1 141 ? 18.999 18.429 4.771 1.00 30.53 ? 833 LEU A O 1 \nATOM 1052 C CB . LEU A 1 141 ? 17.364 19.579 2.657 1.00 34.42 ? 833 LEU A CB 1 \nATOM 1053 C CG . LEU A 1 141 ? 17.613 21.095 2.539 1.00 38.35 ? 833 LEU A CG 1 \nATOM 1054 C CD1 . LEU A 1 141 ? 16.355 21.860 2.907 1.00 47.96 ? 833 LEU A CD1 1 \nATOM 1055 C CD2 . LEU A 1 141 ? 18.768 21.594 3.393 1.00 52.23 ? 833 LEU A CD2 1 \nATOM 1056 N N . VAL A 1 142 ? 20.755 18.551 3.363 1.00 26.72 ? 834 VAL A N 1 \nATOM 1057 C CA . VAL A 1 142 ? 21.728 18.644 4.437 1.00 25.51 ? 834 VAL A CA 1 \nATOM 1058 C C . VAL A 1 142 ? 21.700 20.057 5.048 1.00 23.33 ? 834 VAL A C 1 \nATOM 1059 O O . VAL A 1 142 ? 21.694 21.057 4.313 1.00 28.02 ? 834 VAL A O 1 \nATOM 1060 C CB . VAL A 1 142 ? 23.156 18.309 3.917 1.00 25.87 ? 834 VAL A CB 1 \nATOM 1061 C CG1 . VAL A 1 142 ? 24.100 18.192 5.115 1.00 23.90 ? 834 VAL A CG1 1 \nATOM 1062 C CG2 . VAL A 1 142 ? 23.119 16.992 3.141 1.00 28.31 ? 834 VAL A CG2 1 \nATOM 1063 N N . HIS A 1 143 ? 21.660 20.124 6.381 1.00 24.32 ? 835 HIS A N 1 \nATOM 1064 C CA . HIS A 1 143 ? 21.506 21.383 7.113 1.00 23.28 ? 835 HIS A CA 1 \nATOM 1065 C C . HIS A 1 143 ? 22.785 22.162 6.940 1.00 27.03 ? 835 HIS A C 1 \nATOM 1066 O O . HIS A 1 143 ? 22.813 23.290 6.411 1.00 26.76 ? 835 HIS A O 1 \nATOM 1067 C CB . HIS A 1 143 ? 21.277 21.097 8.607 1.00 22.96 ? 835 HIS A CB 1 \nATOM 1068 C CG . HIS A 1 143 ? 20.801 22.288 9.388 1.00 25.87 ? 835 HIS A CG 1 \nATOM 1069 N ND1 . HIS A 1 143 ? 21.552 23.426 9.550 1.00 25.72 ? 835 HIS A ND1 1 \nATOM 1070 C CD2 . HIS A 1 143 ? 19.625 22.522 10.030 1.00 29.70 ? 835 HIS A CD2 1 \nATOM 1071 C CE1 . HIS A 1 143 ? 20.875 24.313 10.264 1.00 26.78 ? 835 HIS A CE1 1 \nATOM 1072 N NE2 . HIS A 1 143 ? 19.701 23.783 10.576 1.00 27.19 ? 835 HIS A NE2 1 \nATOM 1073 N N . ARG A 1 144 ? 23.853 21.527 7.386 1.00 25.53 ? 836 ARG A N 1 \nATOM 1074 C CA . ARG A 1 144 ? 25.221 22.123 7.370 1.00 24.68 ? 836 ARG A CA 1 \nATOM 1075 C C . ARG A 1 144 ? 25.537 23.182 8.437 1.00 30.73 ? 836 ARG A C 1 \nATOM 1076 O O . ARG A 1 144 ? 26.695 23.623 8.533 1.00 31.37 ? 836 ARG A O 1 \nATOM 1077 C CB . ARG A 1 144 ? 25.601 22.653 5.966 1.00 29.95 ? 836 ARG A CB 1 \nATOM 1078 C CG . ARG A 1 144 ? 25.531 21.613 4.858 1.00 29.36 ? 836 ARG A CG 1 \nATOM 1079 C CD . ARG A 1 144 ? 25.842 22.225 3.503 1.00 35.72 ? 836 ARG A CD 1 \nATOM 1080 N NE . ARG A 1 144 ? 25.737 21.236 2.426 1.00 35.96 ? 836 ARG A NE 1 \nATOM 1081 C CZ . ARG A 1 144 ? 24.613 20.915 1.795 1.00 42.66 ? 836 ARG A CZ 1 \nATOM 1082 N NH1 . ARG A 1 144 ? 23.454 21.500 2.119 1.00 43.85 ? 836 ARG A NH1 1 \nATOM 1083 N NH2 . ARG A 1 144 ? 24.655 20.006 0.825 1.00 45.95 ? 836 ARG A NH2 1 \nATOM 1084 N N . ASP A 1 145 ? 24.564 23.573 9.252 1.00 28.01 ? 837 ASP A N 1 \nATOM 1085 C CA . ASP A 1 145 ? 24.814 24.539 10.330 1.00 30.26 ? 837 ASP A CA 1 \nATOM 1086 C C . ASP A 1 145 ? 23.893 24.288 11.553 1.00 24.80 ? 837 ASP A C 1 \nATOM 1087 O O . ASP A 1 145 ? 23.436 25.220 12.215 1.00 27.76 ? 837 ASP A O 1 \nATOM 1088 C CB . ASP A 1 145 ? 24.667 25.972 9.766 1.00 35.19 ? 837 ASP A CB 1 \nATOM 1089 C CG . ASP A 1 145 ? 25.123 27.070 10.730 1.00 39.72 ? 837 ASP A CG 1 \nATOM 1090 O OD1 . ASP A 1 145 ? 24.630 28.217 10.587 1.00 39.41 ? 837 ASP A OD1 1 \nATOM 1091 O OD2 . ASP A 1 145 ? 25.968 26.824 11.608 1.00 39.11 ? 837 ASP A OD2 1 \nATOM 1092 N N . LEU A 1 146 ? 23.664 23.019 11.894 1.00 22.90 ? 838 LEU A N 1 \nATOM 1093 C CA . LEU A 1 146 ? 22.936 22.738 13.109 1.00 26.01 ? 838 LEU A CA 1 \nATOM 1094 C C . LEU A 1 146 ? 23.734 23.109 14.359 1.00 31.57 ? 838 LEU A C 1 \nATOM 1095 O O . LEU A 1 146 ? 24.933 22.815 14.484 1.00 23.80 ? 838 LEU A O 1 \nATOM 1096 C CB . LEU A 1 146 ? 22.428 21.289 13.139 1.00 23.02 ? 838 LEU A CB 1 \nATOM 1097 C CG . LEU A 1 146 ? 21.594 20.979 14.380 1.00 21.58 ? 838 LEU A CG 1 \nATOM 1098 C CD1 . LEU A 1 146 ? 20.220 21.710 14.325 1.00 23.98 ? 838 LEU A CD1 1 \nATOM 1099 C CD2 . LEU A 1 146 ? 21.381 19.486 14.377 1.00 26.15 ? 838 LEU A CD2 1 \nATOM 1100 N N . ALA A 1 147 ? 23.056 23.809 15.260 1.00 25.46 ? 839 ALA A N 1 \nATOM 1101 C CA . ALA A 1 147 ? 23.624 24.344 16.489 1.00 26.75 ? 839 ALA A CA 1 \nATOM 1102 C C . ALA A 1 147 ? 22.450 24.802 17.349 1.00 26.96 ? 839 ALA A C 1 \nATOM 1103 O O . ALA A 1 147 ? 21.368 25.075 16.818 1.00 27.56 ? 839 ALA A O 1 \nATOM 1104 C CB . ALA A 1 147 ? 24.560 25.503 16.172 1.00 26.89 ? 839 ALA A CB 1 \nATOM 1105 N N . ALA A 1 148 ? 22.647 24.874 18.660 1.00 25.41 ? 840 ALA A N 1 \nATOM 1106 C CA . ALA A 1 148 ? 21.586 25.344 19.568 1.00 28.19 ? 840 ALA A CA 1 \nATOM 1107 C C . ALA A 1 148 ? 21.088 26.729 19.178 1.00 32.62 ? 840 ALA A C 1 \nATOM 1108 O O . ALA A 1 148 ? 19.888 27.022 19.337 1.00 26.09 ? 840 ALA A O 1 \nATOM 1109 C CB . ALA A 1 148 ? 22.036 25.315 21.015 1.00 31.55 ? 840 ALA A CB 1 \nATOM 1110 N N . ARG A 1 149 ? 21.988 27.573 18.667 1.00 26.53 ? 841 ARG A N 1 \nATOM 1111 C CA . ARG A 1 149 ? 21.564 28.878 18.116 1.00 33.68 ? 841 ARG A CA 1 \nATOM 1112 C C . ARG A 1 149 ? 20.540 28.815 16.971 1.00 29.87 ? 841 ARG A C 1 \nATOM 1113 O O . ARG A 1 149 ? 19.785 29.780 16.780 1.00 30.30 ? 841 ARG A O 1 \nATOM 1114 C CB . ARG A 1 149 ? 22.764 29.723 17.692 1.00 28.34 ? 841 ARG A CB 1 \nATOM 1115 C CG . ARG A 1 149 ? 23.404 29.295 16.373 1.00 26.85 ? 841 ARG A CG 1 \nATOM 1116 C CD . ARG A 1 149 ? 24.776 29.947 16.162 1.00 29.53 ? 841 ARG A CD 1 \nATOM 1117 N NE . ARG A 1 149 ? 25.422 29.243 15.073 1.00 31.29 ? 841 ARG A NE 1 \nATOM 1118 C CZ . ARG A 1 149 ? 26.341 28.302 15.254 1.00 39.55 ? 841 ARG A CZ 1 \nATOM 1119 N NH1 . ARG A 1 149 ? 26.771 28.031 16.482 1.00 34.98 ? 841 ARG A NH1 1 \nATOM 1120 N NH2 . ARG A 1 149 ? 26.851 27.654 14.208 1.00 34.16 ? 841 ARG A NH2 1 \nATOM 1121 N N . ASN A 1 150 ? 20.510 27.690 16.239 1.00 27.08 ? 842 ASN A N 1 \nATOM 1122 C CA . ASN A 1 150 ? 19.637 27.487 15.083 1.00 30.03 ? 842 ASN A CA 1 \nATOM 1123 C C . ASN A 1 150 ? 18.422 26.601 15.370 1.00 24.67 ? 842 ASN A C 1 \nATOM 1124 O O . ASN A 1 150 ? 17.845 25.978 14.469 1.00 27.99 ? 842 ASN A O 1 \nATOM 1125 C CB . ASN A 1 150 ? 20.435 27.010 13.873 1.00 29.06 ? 842 ASN A CB 1 \nATOM 1126 C CG . ASN A 1 150 ? 21.262 28.134 13.254 1.00 37.72 ? 842 ASN A CG 1 \nATOM 1127 O OD1 . ASN A 1 150 ? 20.864 29.305 13.306 1.00 30.50 ? 842 ASN A OD1 1 \nATOM 1128 N ND2 . ASN A 1 150 ? 22.422 27.794 12.679 1.00 29.81 ? 842 ASN A ND2 1 \nATOM 1129 N N . VAL A 1 151 ? 18.136 26.486 16.658 1.00 23.76 ? 843 VAL A N 1 \nATOM 1130 C CA . VAL A 1 151 ? 16.903 25.867 17.159 1.00 30.91 ? 843 VAL A CA 1 \nATOM 1131 C C . VAL A 1 151 ? 16.114 26.985 17.836 1.00 31.47 ? 843 VAL A C 1 \nATOM 1132 O O . VAL A 1 151 ? 16.638 27.662 18.721 1.00 31.89 ? 843 VAL A O 1 \nATOM 1133 C CB . VAL A 1 151 ? 17.212 24.725 18.140 1.00 27.97 ? 843 VAL A CB 1 \nATOM 1134 C CG1 . VAL A 1 151 ? 15.915 24.065 18.619 1.00 27.30 ? 843 VAL A CG1 1 \nATOM 1135 C CG2 . VAL A 1 151 ? 18.140 23.693 17.466 1.00 24.18 ? 843 VAL A CG2 1 \nATOM 1136 N N . LEU A 1 152 ? 14.852 27.149 17.445 1.00 31.01 ? 844 LEU A N 1 \nATOM 1137 C CA . LEU A 1 152 ? 14.016 28.272 17.951 1.00 28.78 ? 844 LEU A CA 1 \nATOM 1138 C C . LEU A 1 152 ? 12.878 27.747 18.798 1.00 31.95 ? 844 LEU A C 1 \nATOM 1139 O O . LEU A 1 152 ? 12.356 26.667 18.531 1.00 29.93 ? 844 LEU A O 1 \nATOM 1140 C CB . LEU A 1 152 ? 13.463 29.114 16.782 1.00 31.04 ? 844 LEU A CB 1 \nATOM 1141 C CG . LEU A 1 152 ? 14.521 29.764 15.877 1.00 31.25 ? 844 LEU A CG 1 \nATOM 1142 C CD1 . LEU A 1 152 ? 13.961 30.700 14.816 1.00 33.04 ? 844 LEU A CD1 1 \nATOM 1143 C CD2 . LEU A 1 152 ? 15.550 30.506 16.706 1.00 35.54 ? 844 LEU A CD2 1 \nATOM 1144 N N . VAL A 1 153 ? 12.508 28.516 19.819 1.00 33.45 ? 845 VAL A N 1 \nATOM 1145 C CA . VAL A 1 153 ? 11.410 28.169 20.722 1.00 37.40 ? 845 VAL A CA 1 \nATOM 1146 C C . VAL A 1 153 ? 10.050 28.660 20.197 1.00 39.79 ? 845 VAL A C 1 \nATOM 1147 O O . VAL A 1 153 ? 9.791 29.864 20.151 1.00 40.55 ? 845 VAL A O 1 \nATOM 1148 C CB . VAL A 1 153 ? 11.706 28.704 22.144 1.00 37.90 ? 845 VAL A CB 1 \nATOM 1149 C CG1 . VAL A 1 153 ? 10.598 28.332 23.123 1.00 34.42 ? 845 VAL A CG1 1 \nATOM 1150 C CG2 . VAL A 1 153 ? 13.046 28.162 22.639 1.00 34.23 ? 845 VAL A CG2 1 \nATOM 1151 N N . LYS A 1 154 ? 9.193 27.725 19.786 1.00 36.10 ? 846 LYS A N 1 \nATOM 1152 C CA . LYS A 1 154 ? 7.792 28.043 19.467 1.00 43.58 ? 846 LYS A CA 1 \nATOM 1153 C C . LYS A 1 154 ? 7.040 28.141 20.792 1.00 38.19 ? 846 LYS A C 1 \nATOM 1154 O O . LYS A 1 154 ? 6.412 29.158 21.072 1.00 44.16 ? 846 LYS A O 1 \nATOM 1155 C CB . LYS A 1 154 ? 7.146 27.007 18.536 1.00 37.43 ? 846 LYS A CB 1 \nATOM 1156 C CG . LYS A 1 154 ? 5.735 27.380 18.068 1.00 51.46 ? 846 LYS A CG 1 \nATOM 1157 C CD . LYS A 1 154 ? 5.003 26.147 17.561 1.00 57.04 ? 846 LYS A CD 1 \nATOM 1158 C CE . LYS A 1 154 ? 4.089 26.461 16.386 1.00 75.97 ? 846 LYS A CE 1 \nATOM 1159 N NZ . LYS A 1 154 ? 2.821 27.114 16.809 1.00 61.01 ? 846 LYS A NZ 1 \nATOM 1160 N N . THR A 1 155 ? 7.130 27.085 21.599 1.00 36.95 ? 847 THR A N 1 \nATOM 1161 C CA . THR A 1 155 ? 6.734 27.118 23.010 1.00 39.96 ? 847 THR A CA 1 \nATOM 1162 C C . THR A 1 155 ? 7.791 26.344 23.785 1.00 49.25 ? 847 THR A C 1 \nATOM 1163 O O . THR A 1 155 ? 8.513 25.553 23.189 1.00 46.91 ? 847 THR A O 1 \nATOM 1164 C CB . THR A 1 155 ? 5.344 26.477 23.270 1.00 42.03 ? 847 THR A CB 1 \nATOM 1165 O OG1 . THR A 1 155 ? 5.416 25.049 23.139 1.00 40.28 ? 847 THR A OG1 1 \nATOM 1166 C CG2 . THR A 1 155 ? 4.263 27.039 22.331 1.00 47.29 ? 847 THR A CG2 1 \nATOM 1167 N N . PRO A 1 156 ? 7.901 26.572 25.111 1.00 47.74 ? 848 PRO A N 1 \nATOM 1168 C CA . PRO A 1 156 ? 8.844 25.778 25.902 1.00 44.52 ? 848 PRO A CA 1 \nATOM 1169 C C . PRO A 1 156 ? 8.762 24.277 25.619 1.00 44.91 ? 848 PRO A C 1 \nATOM 1170 O O . PRO A 1 156 ? 9.757 23.575 25.766 1.00 45.92 ? 848 PRO A O 1 \nATOM 1171 C CB . PRO A 1 156 ? 8.410 26.061 27.339 1.00 47.17 ? 848 PRO A CB 1 \nATOM 1172 C CG . PRO A 1 156 ? 7.836 27.433 27.296 1.00 54.20 ? 848 PRO A CG 1 \nATOM 1173 C CD . PRO A 1 156 ? 7.324 27.679 25.899 1.00 53.60 ? 848 PRO A CD 1 \nATOM 1174 N N . GLN A 1 157 ? 7.596 23.779 25.211 1.00 43.27 ? 849 GLN A N 1 \nATOM 1175 C CA . GLN A 1 157 ? 7.475 22.347 24.901 1.00 42.19 ? 849 GLN A CA 1 \nATOM 1176 C C . GLN A 1 157 ? 7.481 22.009 23.389 1.00 42.64 ? 849 GLN A C 1 \nATOM 1177 O O . GLN A 1 157 ? 7.190 20.866 23.001 1.00 45.37 ? 849 GLN A O 1 \nATOM 1178 C CB . GLN A 1 157 ? 6.267 21.718 25.627 1.00 58.29 ? 849 GLN A CB 1 \nATOM 1179 C CG . GLN A 1 157 ? 4.961 22.504 25.555 1.00 66.43 ? 849 GLN A CG 1 \nATOM 1180 C CD . GLN A 1 157 ? 4.884 23.642 26.570 1.00 62.36 ? 849 GLN A CD 1 \nATOM 1181 O OE1 . GLN A 1 157 ? 4.609 24.782 26.211 1.00 63.71 ? 849 GLN A OE1 1 \nATOM 1182 N NE2 . GLN A 1 157 ? 5.141 23.334 27.838 1.00 63.07 ? 849 GLN A NE2 1 \nATOM 1183 N N . HIS A 1 158 ? 7.806 22.998 22.549 1.00 43.34 ? 850 HIS A N 1 \nATOM 1184 C CA . HIS A 1 158 ? 7.827 22.837 21.080 1.00 36.09 ? 850 HIS A CA 1 \nATOM 1185 C C . HIS A 1 158 ? 8.939 23.707 20.451 1.00 35.72 ? 850 HIS A C 1 \nATOM 1186 O O . HIS A 1 158 ? 8.834 24.935 20.398 1.00 38.30 ? 850 HIS A O 1 \nATOM 1187 C CB . HIS A 1 158 ? 6.465 23.232 20.495 1.00 47.52 ? 850 HIS A CB 1 \nATOM 1188 C CG . HIS A 1 158 ? 6.285 22.897 19.044 1.00 56.05 ? 850 HIS A CG 1 \nATOM 1189 N ND1 . HIS A 1 158 ? 5.061 22.545 18.513 1.00 67.56 ? 850 HIS A ND1 1 \nATOM 1190 C CD2 . HIS A 1 158 ? 7.165 22.862 18.013 1.00 46.60 ? 850 HIS A CD2 1 \nATOM 1191 C CE1 . HIS A 1 158 ? 5.195 22.314 17.219 1.00 61.32 ? 850 HIS A CE1 1 \nATOM 1192 N NE2 . HIS A 1 158 ? 6.461 22.497 16.891 1.00 50.10 ? 850 HIS A NE2 1 \nATOM 1193 N N . VAL A 1 159 ? 9.997 23.065 19.957 1.00 30.62 ? 851 VAL A N 1 \nATOM 1194 C CA . VAL A 1 159 ? 11.119 23.801 19.316 1.00 27.66 ? 851 VAL A CA 1 \nATOM 1195 C C . VAL A 1 159 ? 11.258 23.414 17.837 1.00 29.34 ? 851 VAL A C 1 \nATOM 1196 O O . VAL A 1 159 ? 10.790 22.339 17.409 1.00 37.31 ? 851 VAL A O 1 \nATOM 1197 C CB . VAL A 1 159 ? 12.459 23.615 20.093 1.00 27.08 ? 851 VAL A CB 1 \nATOM 1198 C CG1 . VAL A 1 159 ? 12.320 24.093 21.527 1.00 28.71 ? 851 VAL A CG1 1 \nATOM 1199 C CG2 . VAL A 1 159 ? 12.917 22.166 20.074 1.00 29.61 ? 851 VAL A CG2 1 \nATOM 1200 N N . LYS A 1 160 ? 11.848 24.295 17.049 1.00 25.66 ? 852 LYS A N 1 \nATOM 1201 C CA . LYS A 1 160 ? 11.927 24.130 15.593 1.00 29.99 ? 852 LYS A CA 1 \nATOM 1202 C C . LYS A 1 160 ? 13.322 24.502 15.084 1.00 31.41 ? 852 LYS A C 1 \nATOM 1203 O O . LYS A 1 160 ? 13.919 25.461 15.577 1.00 32.82 ? 852 LYS A O 1 \nATOM 1204 C CB . LYS A 1 160 ? 10.930 25.045 14.883 1.00 29.63 ? 852 LYS A CB 1 \nATOM 1205 C CG . LYS A 1 160 ? 9.481 24.848 15.301 1.00 35.70 ? 852 LYS A CG 1 \nATOM 1206 C CD . LYS A 1 160 ? 8.547 25.799 14.559 1.00 39.50 ? 852 LYS A CD 1 \nATOM 1207 C CE . LYS A 1 160 ? 8.240 25.299 13.156 1.00 45.39 ? 852 LYS A CE 1 \nATOM 1208 N NZ . LYS A 1 160 ? 7.134 26.073 12.523 1.00 54.24 ? 852 LYS A NZ 1 \nATOM 1209 N N . ILE A 1 161 ? 13.787 23.781 14.065 1.00 27.56 ? 853 ILE A N 1 \nATOM 1210 C CA . ILE A 1 161 ? 15.114 24.014 13.466 1.00 30.12 ? 853 ILE A CA 1 \nATOM 1211 C C . ILE A 1 161 ? 15.005 25.045 12.339 1.00 31.59 ? 853 ILE A C 1 \nATOM 1212 O O . ILE A 1 161 ? 14.017 25.067 11.596 1.00 31.70 ? 853 ILE A O 1 \nATOM 1213 C CB . ILE A 1 161 ? 15.695 22.700 12.885 1.00 25.76 ? 853 ILE A CB 1 \nATOM 1214 C CG1 . ILE A 1 161 ? 15.805 21.647 13.983 1.00 26.76 ? 853 ILE A CG1 1 \nATOM 1215 C CG2 . ILE A 1 161 ? 17.031 22.964 12.191 1.00 32.39 ? 853 ILE A CG2 1 \nATOM 1216 C CD1 . ILE A 1 161 ? 15.788 20.251 13.420 1.00 36.59 ? 853 ILE A CD1 1 \nATOM 1217 N N . THR A 1 162 ? 16.008 25.909 12.237 1.00 25.25 ? 854 THR A N 1 \nATOM 1218 C CA . THR A 1 162 ? 16.073 26.896 11.179 1.00 27.24 ? 854 THR A CA 1 \nATOM 1219 C C . THR A 1 162 ? 17.503 26.936 10.582 1.00 28.06 ? 854 THR A C 1 \nATOM 1220 O O . THR A 1 162 ? 18.380 26.227 11.069 1.00 31.74 ? 854 THR A O 1 \nATOM 1221 C CB . THR A 1 162 ? 15.656 28.302 11.705 1.00 24.66 ? 854 THR A CB 1 \nATOM 1222 O OG1 . THR A 1 162 ? 15.473 29.166 10.579 1.00 25.50 ? 854 THR A OG1 1 \nATOM 1223 C CG2 . THR A 1 162 ? 16.714 28.916 12.649 1.00 28.04 ? 854 THR A CG2 1 \nATOM 1224 N N . ASP A 1 163 ? 17.692 27.727 9.517 1.00 26.22 ? 855 ASP A N 1 \nATOM 1225 C CA . ASP A 1 163 ? 19.025 28.078 8.949 1.00 33.58 ? 855 ASP A CA 1 \nATOM 1226 C C . ASP A 1 163 ? 19.662 26.928 8.139 1.00 27.70 ? 855 ASP A C 1 \nATOM 1227 O O . ASP A 1 163 ? 20.866 26.952 7.856 1.00 41.67 ? 855 ASP A O 1 \nATOM 1228 C CB . ASP A 1 163 ? 19.977 28.578 10.059 1.00 34.40 ? 855 ASP A CB 1 \nATOM 1229 C CG . ASP A 1 163 ? 20.915 29.702 9.592 1.00 43.40 ? 855 ASP A CG 1 \nATOM 1230 O OD1 . ASP A 1 163 ? 20.500 30.546 8.761 1.00 40.77 ? 855 ASP A OD1 1 \nATOM 1231 O OD2 . ASP A 1 163 ? 22.072 29.765 10.083 1.00 42.67 ? 855 ASP A OD2 1 \nATOM 1232 N N . PHE A 1 164 ? 18.848 25.931 7.775 1.00 31.84 ? 856 PHE A N 1 \nATOM 1233 C CA . PHE A 1 164 ? 19.295 24.768 6.988 1.00 27.77 ? 856 PHE A CA 1 \nATOM 1234 C C . PHE A 1 164 ? 19.514 25.134 5.526 1.00 38.25 ? 856 PHE A C 1 \nATOM 1235 O O . PHE A 1 164 ? 18.707 25.862 4.918 1.00 35.00 ? 856 PHE A O 1 \nATOM 1236 C CB . PHE A 1 164 ? 18.299 23.609 7.116 1.00 31.72 ? 856 PHE A CB 1 \nATOM 1237 C CG . PHE A 1 164 ? 16.859 24.013 6.902 1.00 37.42 ? 856 PHE A CG 1 \nATOM 1238 C CD1 . PHE A 1 164 ? 16.058 24.398 7.982 1.00 39.39 ? 856 PHE A CD1 1 \nATOM 1239 C CD2 . PHE A 1 164 ? 16.313 24.012 5.628 1.00 35.12 ? 856 PHE A CD2 1 \nATOM 1240 C CE1 . PHE A 1 164 ? 14.722 24.772 7.786 1.00 33.38 ? 856 PHE A CE1 1 \nATOM 1241 C CE2 . PHE A 1 164 ? 14.977 24.374 5.431 1.00 41.41 ? 856 PHE A CE2 1 \nATOM 1242 C CZ . PHE A 1 164 ? 14.198 24.755 6.510 1.00 31.08 ? 856 PHE A CZ 1 \nATOM 1243 N N . GLY A 1 165 ? 20.622 24.655 4.960 1.00 31.90 ? 857 GLY A N 1 \nATOM 1244 C CA . GLY A 1 165 ? 20.859 24.804 3.519 1.00 31.25 ? 857 GLY A CA 1 \nATOM 1245 C C . GLY A 1 165 ? 21.491 26.110 3.089 1.00 35.22 ? 857 GLY A C 1 \nATOM 1246 O O . GLY A 1 165 ? 21.668 26.359 1.897 1.00 36.36 ? 857 GLY A O 1 \nATOM 1247 N N . LEU A 1 166 ? 21.834 26.959 4.051 1.00 36.41 ? 858 LEU A N 1 \nATOM 1248 C CA . LEU A 1 166 ? 22.374 28.251 3.733 1.00 33.90 ? 858 LEU A CA 1 \nATOM 1249 C C . LEU A 1 166 ? 23.850 28.082 3.359 1.00 36.55 ? 858 LEU A C 1 \nATOM 1250 O O . LEU A 1 166 ? 24.343 28.746 2.449 1.00 35.70 ? 858 LEU A O 1 \nATOM 1251 C CB . LEU A 1 166 ? 22.223 29.193 4.931 1.00 41.10 ? 858 LEU A CB 1 \nATOM 1252 C CG . LEU A 1 166 ? 22.171 30.700 4.704 1.00 43.83 ? 858 LEU A CG 1 \nATOM 1253 C CD1 . LEU A 1 166 ? 21.064 31.083 3.723 1.00 46.99 ? 858 LEU A CD1 1 \nATOM 1254 C CD2 . LEU A 1 166 ? 21.948 31.375 6.046 1.00 35.64 ? 858 LEU A CD2 1 \nATOM 1255 N N . ALA A 1 167 ? 24.532 27.169 4.052 1.00 35.60 ? 859 ALA A N 1 \nATOM 1256 C CA . ALA A 1 167 ? 25.942 26.925 3.767 1.00 37.84 ? 859 ALA A CA 1 \nATOM 1257 C C . ALA A 1 167 ? 26.099 26.444 2.330 1.00 40.12 ? 859 ALA A C 1 \nATOM 1258 O O . ALA A 1 167 ? 27.072 26.801 1.659 1.00 37.50 ? 859 ALA A O 1 \nATOM 1259 C CB . ALA A 1 167 ? 26.545 25.930 4.746 1.00 34.95 ? 859 ALA A CB 1 \nATOM 1260 N N . LYS A 1 168 ? 25.133 25.648 1.851 1.00 35.37 ? 860 LYS A N 1 \nATOM 1261 C CA . LYS A 1 168 ? 25.130 25.217 0.457 1.00 40.64 ? 860 LYS A CA 1 \nATOM 1262 C C . LYS A 1 168 ? 24.865 26.396 -0.464 1.00 37.43 ? 860 LYS A C 1 \nATOM 1263 O O . LYS A 1 168 ? 25.539 26.565 -1.475 1.00 43.25 ? 860 LYS A O 1 \nATOM 1264 C CB . LYS A 1 168 ? 24.093 24.118 0.194 1.00 47.18 ? 860 LYS A CB 1 \nATOM 1265 C CG . LYS A 1 168 ? 23.823 23.875 -1.292 1.00 52.81 ? 860 LYS A CG 1 \nATOM 1266 C CD . LYS A 1 168 ? 23.407 22.442 -1.573 1.00 54.14 ? 860 LYS A CD 1 \nATOM 1267 C CE . LYS A 1 168 ? 23.585 22.101 -3.044 1.00 65.94 ? 860 LYS A CE 1 \nATOM 1268 N NZ . LYS A 1 168 ? 23.618 20.628 -3.255 1.00 73.01 ? 860 LYS A NZ 1 \nATOM 1269 N N . LEU A 1 169 ? 23.869 27.198 -0.120 1.00 35.22 ? 861 LEU A N 1 \nATOM 1270 C CA . LEU A 1 169 ? 23.469 28.302 -0.989 1.00 42.52 ? 861 LEU A CA 1 \nATOM 1271 C C . LEU A 1 169 ? 24.635 29.262 -1.217 1.00 43.31 ? 861 LEU A C 1 \nATOM 1272 O O . LEU A 1 169 ? 24.785 29.824 -2.307 1.00 42.59 ? 861 LEU A O 1 \nATOM 1273 C CB . LEU A 1 169 ? 22.281 29.042 -0.379 1.00 45.30 ? 861 LEU A CB 1 \nATOM 1274 C CG . LEU A 1 169 ? 21.724 30.283 -1.079 1.00 60.80 ? 861 LEU A CG 1 \nATOM 1275 C CD1 . LEU A 1 169 ? 21.344 29.986 -2.523 1.00 74.68 ? 861 LEU A CD1 1 \nATOM 1276 C CD2 . LEU A 1 169 ? 20.527 30.808 -0.297 1.00 46.66 ? 861 LEU A CD2 1 \nATOM 1277 N N . LEU A 1 170 ? 25.458 29.422 -0.184 1.00 43.61 ? 862 LEU A N 1 \nATOM 1278 C CA . LEU A 1 170 ? 26.554 30.390 -0.192 1.00 47.31 ? 862 LEU A CA 1 \nATOM 1279 C C . LEU A 1 170 ? 27.869 29.821 -0.747 1.00 48.26 ? 862 LEU A C 1 \nATOM 1280 O O . LEU A 1 170 ? 28.882 30.523 -0.807 1.00 49.35 ? 862 LEU A O 1 \nATOM 1281 C CB . LEU A 1 170 ? 26.749 30.970 1.218 1.00 45.15 ? 862 LEU A CB 1 \nATOM 1282 C CG . LEU A 1 170 ? 25.676 31.944 1.740 1.00 45.97 ? 862 LEU A CG 1 \nATOM 1283 C CD1 . LEU A 1 170 ? 25.961 32.300 3.191 1.00 48.31 ? 862 LEU A CD1 1 \nATOM 1284 C CD2 . LEU A 1 170 ? 25.608 33.210 0.888 1.00 47.47 ? 862 LEU A CD2 1 \nATOM 1285 N N . GLY A 1 171 ? 27.853 28.549 -1.142 1.00 49.38 ? 863 GLY A N 1 \nATOM 1286 C CA . GLY A 1 171 ? 29.018 27.916 -1.781 1.00 45.16 ? 863 GLY A CA 1 \nATOM 1287 C C . GLY A 1 171 ? 30.128 27.447 -0.847 1.00 39.80 ? 863 GLY A C 1 \nATOM 1288 O O . GLY A 1 171 ? 31.286 27.311 -1.271 1.00 50.15 ? 863 GLY A O 1 \nATOM 1289 N N . ALA A 1 172 ? 29.787 27.166 0.413 1.00 40.85 ? 864 ALA A N 1 \nATOM 1290 C CA . ALA A 1 172 ? 30.789 26.748 1.398 1.00 42.57 ? 864 ALA A CA 1 \nATOM 1291 C C . ALA A 1 172 ? 31.329 25.336 1.148 1.00 38.79 ? 864 ALA A C 1 \nATOM 1292 O O . ALA A 1 172 ? 32.211 24.884 1.866 1.00 42.81 ? 864 ALA A O 1 \nATOM 1293 C CB . ALA A 1 172 ? 30.257 26.864 2.811 1.00 41.45 ? 864 ALA A CB 1 \nATOM 1294 N N . GLU A 1 173 ? 30.779 24.650 0.148 1.00 36.82 ? 865 GLU A N 1 \nATOM 1295 C CA . GLU A 1 173 ? 31.281 23.322 -0.252 1.00 44.30 ? 865 GLU A CA 1 \nATOM 1296 C C . GLU A 1 173 ? 32.377 23.443 -1.311 1.00 47.98 ? 865 GLU A C 1 \nATOM 1297 O O . GLU A 1 173 ? 32.982 22.444 -1.707 1.00 40.23 ? 865 GLU A O 1 \nATOM 1298 C CB . GLU A 1 173 ? 30.145 22.407 -0.761 1.00 41.00 ? 865 GLU A CB 1 \nATOM 1299 C CG . GLU A 1 173 ? 29.020 22.190 0.244 1.00 53.30 ? 865 GLU A CG 1 \nATOM 1300 C CD . GLU A 1 173 ? 28.086 21.053 -0.137 1.00 66.21 ? 865 GLU A CD 1 \nATOM 1301 O OE1 . GLU A 1 173 ? 27.442 20.512 0.782 1.00 56.09 ? 865 GLU A OE1 1 \nATOM 1302 O OE2 . GLU A 1 173 ? 27.997 20.692 -1.337 1.00 63.67 ? 865 GLU A OE2 1 \nATOM 1303 N N . GLU A 1 174 ? 32.612 24.670 -1.770 1.00 47.17 ? 866 GLU A N 1 \nATOM 1304 C CA . GLU A 1 174 ? 33.608 24.955 -2.807 1.00 46.40 ? 866 GLU A CA 1 \nATOM 1305 C C . GLU A 1 174 ? 34.700 25.832 -2.210 1.00 40.98 ? 866 GLU A C 1 \nATOM 1306 O O . GLU A 1 174 ? 34.497 26.450 -1.164 1.00 38.94 ? 866 GLU A O 1 \nATOM 1307 C CB . GLU A 1 174 ? 32.956 25.644 -4.019 1.00 46.22 ? 866 GLU A CB 1 \nATOM 1308 C CG . GLU A 1 174 ? 32.102 24.730 -4.897 1.00 54.50 ? 866 GLU A CG 1 \nATOM 1309 C CD . GLU A 1 174 ? 30.714 24.468 -4.337 1.00 68.80 ? 866 GLU A CD 1 \nATOM 1310 O OE1 . GLU A 1 174 ? 30.121 23.425 -4.688 1.00 79.63 ? 866 GLU A OE1 1 \nATOM 1311 O OE2 . GLU A 1 174 ? 30.206 25.299 -3.553 1.00 68.10 ? 866 GLU A OE2 1 \nATOM 1312 N N . LYS A 1 175 ? 35.854 25.893 -2.877 1.00 37.24 ? 867 LYS A N 1 \nATOM 1313 C CA . LYS A 1 175 ? 37.036 26.539 -2.313 1.00 47.53 ? 867 LYS A CA 1 \nATOM 1314 C C . LYS A 1 175 ? 36.911 28.067 -2.320 1.00 42.85 ? 867 LYS A C 1 \nATOM 1315 O O . LYS A 1 175 ? 37.482 28.740 -1.459 1.00 40.83 ? 867 LYS A O 1 \nATOM 1316 C CB . LYS A 1 175 ? 38.325 26.074 -3.037 1.00 37.61 ? 867 LYS A CB 1 \nATOM 1317 C CG . LYS A 1 175 ? 38.432 26.433 -4.517 1.00 41.83 ? 867 LYS A CG 1 \nATOM 1318 C CD . LYS A 1 175 ? 39.175 25.359 -5.323 1.00 39.74 ? 867 LYS A CD 1 \nATOM 1319 C CE . LYS A 1 175 ? 38.867 25.438 -6.819 1.00 39.65 ? 867 LYS A CE 1 \nATOM 1320 N NZ . LYS A 1 175 ? 37.395 25.435 -7.144 1.00 43.75 ? 867 LYS A NZ 1 \nATOM 1321 N N . GLU A 1 176 ? 36.150 28.584 -3.288 1.00 40.06 ? 868 GLU A N 1 \nATOM 1322 C CA . GLU A 1 176 ? 36.053 30.019 -3.559 1.00 46.64 ? 868 GLU A CA 1 \nATOM 1323 C C . GLU A 1 176 ? 35.553 30.809 -2.344 1.00 48.10 ? 868 GLU A C 1 \nATOM 1324 O O . GLU A 1 176 ? 36.168 31.809 -1.964 1.00 42.32 ? 868 GLU A O 1 \nATOM 1325 C CB . GLU A 1 176 ? 35.192 30.281 -4.806 1.00 51.74 ? 868 GLU A CB 1 \nATOM 1326 C CG . GLU A 1 176 ? 35.891 29.990 -6.136 1.00 53.17 ? 868 GLU A CG 1 \nATOM 1327 C CD . GLU A 1 176 ? 35.976 28.505 -6.493 1.00 55.69 ? 868 GLU A CD 1 \nATOM 1328 O OE1 . GLU A 1 176 ? 35.179 27.686 -5.971 1.00 42.46 ? 868 GLU A OE1 1 \nATOM 1329 O OE2 . GLU A 1 176 ? 36.850 28.153 -7.324 1.00 48.42 ? 868 GLU A OE2 1 \nATOM 1330 N N . TYR A 1 177 ? 34.454 30.346 -1.739 1.00 45.27 ? 869 TYR A N 1 \nATOM 1331 C CA . TYR A 1 177 ? 33.932 30.900 -0.471 1.00 44.49 ? 869 TYR A CA 1 \nATOM 1332 C C . TYR A 1 177 ? 35.024 31.102 0.592 1.00 48.57 ? 869 TYR A C 1 \nATOM 1333 O O . TYR A 1 177 ? 35.104 32.164 1.215 1.00 44.29 ? 869 TYR A O 1 \nATOM 1334 C CB . TYR A 1 177 ? 32.801 29.997 0.082 1.00 48.00 ? 869 TYR A CB 1 \nATOM 1335 C CG . TYR A 1 177 ? 32.241 30.446 1.420 1.00 43.34 ? 869 TYR A CG 1 \nATOM 1336 C CD1 . TYR A 1 177 ? 32.588 29.791 2.597 1.00 37.95 ? 869 TYR A CD1 1 \nATOM 1337 C CD2 . TYR A 1 177 ? 31.372 31.544 1.509 1.00 44.45 ? 869 TYR A CD2 1 \nATOM 1338 C CE1 . TYR A 1 177 ? 32.083 30.202 3.827 1.00 37.47 ? 869 TYR A CE1 1 \nATOM 1339 C CE2 . TYR A 1 177 ? 30.878 31.968 2.739 1.00 42.96 ? 869 TYR A CE2 1 \nATOM 1340 C CZ . TYR A 1 177 ? 31.234 31.291 3.891 1.00 42.37 ? 869 TYR A CZ 1 \nATOM 1341 O OH . TYR A 1 177 ? 30.756 31.702 5.118 1.00 42.81 ? 869 TYR A OH 1 \nATOM 1342 N N . HIS A 1 178 ? 35.870 30.090 0.777 1.00 42.45 ? 870 HIS A N 1 \nATOM 1343 C CA . HIS A 1 178 ? 36.910 30.105 1.819 1.00 39.96 ? 870 HIS A CA 1 \nATOM 1344 C C . HIS A 1 178 ? 38.101 30.984 1.432 1.00 48.03 ? 870 HIS A C 1 \nATOM 1345 O O . HIS A 1 178 ? 38.716 31.644 2.285 1.00 44.35 ? 870 HIS A O 1 \nATOM 1346 C CB . HIS A 1 178 ? 37.352 28.671 2.130 1.00 43.61 ? 870 HIS A CB 1 \nATOM 1347 C CG . HIS A 1 178 ? 36.249 27.816 2.689 1.00 45.24 ? 870 HIS A CG 1 \nATOM 1348 N ND1 . HIS A 1 178 ? 35.330 27.165 1.891 1.00 48.50 ? 870 HIS A ND1 1 \nATOM 1349 C CD2 . HIS A 1 178 ? 35.909 27.525 3.966 1.00 41.55 ? 870 HIS A CD2 1 \nATOM 1350 C CE1 . HIS A 1 178 ? 34.478 26.501 2.653 1.00 40.12 ? 870 HIS A CE1 1 \nATOM 1351 N NE2 . HIS A 1 178 ? 34.803 26.708 3.917 1.00 54.39 ? 870 HIS A NE2 1 \nATOM 1352 N N . ALA A 1 179 ? 38.424 30.987 0.142 1.00 48.53 ? 871 ALA A N 1 \nATOM 1353 C CA . ALA A 1 179 ? 39.483 31.851 -0.386 1.00 52.92 ? 871 ALA A CA 1 \nATOM 1354 C C . ALA A 1 179 ? 39.090 33.330 -0.289 1.00 57.64 ? 871 ALA A C 1 \nATOM 1355 O O . ALA A 1 179 ? 39.955 34.191 -0.122 1.00 49.04 ? 871 ALA A O 1 \nATOM 1356 C CB . ALA A 1 179 ? 39.812 31.468 -1.828 1.00 50.28 ? 871 ALA A CB 1 \nATOM 1357 N N . GLU A 1 180 ? 37.784 33.610 -0.363 1.00 52.01 ? 872 GLU A N 1 \nATOM 1358 C CA . GLU A 1 180 ? 37.262 34.982 -0.336 1.00 56.03 ? 872 GLU A CA 1 \nATOM 1359 C C . GLU A 1 180 ? 36.943 35.500 1.077 1.00 59.17 ? 872 GLU A C 1 \nATOM 1360 O O . GLU A 1 180 ? 36.239 36.500 1.231 1.00 61.85 ? 872 GLU A O 1 \nATOM 1361 C CB . GLU A 1 180 ? 36.029 35.099 -1.244 1.00 68.02 ? 872 GLU A CB 1 \nATOM 1362 C CG . GLU A 1 180 ? 36.346 35.099 -2.734 1.00 77.21 ? 872 GLU A CG 1 \nATOM 1363 C CD . GLU A 1 180 ? 35.157 34.711 -3.601 1.00 97.81 ? 872 GLU A CD 1 \nATOM 1364 O OE1 . GLU A 1 180 ? 34.010 35.092 -3.275 1.00 102.61 ? 872 GLU A OE1 1 \nATOM 1365 O OE2 . GLU A 1 180 ? 35.372 34.023 -4.622 1.00 97.00 ? 872 GLU A OE2 1 \nATOM 1366 N N . GLY A 1 181 ? 37.469 34.823 2.098 1.00 58.69 ? 873 GLY A N 1 \nATOM 1367 C CA . GLY A 1 181 ? 37.326 35.262 3.487 1.00 54.40 ? 873 GLY A CA 1 \nATOM 1368 C C . GLY A 1 181 ? 36.155 34.670 4.258 1.00 44.99 ? 873 GLY A C 1 \nATOM 1369 O O . GLY A 1 181 ? 35.994 34.948 5.449 1.00 46.72 ? 873 GLY A O 1 \nATOM 1370 N N . GLY A 1 182 ? 35.348 33.841 3.597 1.00 41.02 ? 874 GLY A N 1 \nATOM 1371 C CA . GLY A 1 182 ? 34.156 33.248 4.231 1.00 46.70 ? 874 GLY A CA 1 \nATOM 1372 C C . GLY A 1 182 ? 34.533 32.316 5.367 1.00 46.89 ? 874 GLY A C 1 \nATOM 1373 O O . GLY A 1 182 ? 35.565 31.640 5.303 1.00 38.65 ? 874 GLY A O 1 \nATOM 1374 N N . LYS A 1 183 ? 33.707 32.283 6.417 1.00 40.97 ? 875 LYS A N 1 \nATOM 1375 C CA . LYS A 1 183 ? 33.971 31.414 7.573 1.00 44.70 ? 875 LYS A CA 1 \nATOM 1376 C C . LYS A 1 183 ? 32.851 30.407 7.758 1.00 45.71 ? 875 LYS A C 1 \nATOM 1377 O O . LYS A 1 183 ? 31.728 30.605 7.264 1.00 42.27 ? 875 LYS A O 1 \nATOM 1378 C CB . LYS A 1 183 ? 34.153 32.227 8.861 1.00 57.63 ? 875 LYS A CB 1 \nATOM 1379 C CG . LYS A 1 183 ? 35.303 33.225 8.833 1.00 64.74 ? 875 LYS A CG 1 \nATOM 1380 C CD . LYS A 1 183 ? 36.627 32.601 9.255 1.00 68.35 ? 875 LYS A CD 1 \nATOM 1381 C CE . LYS A 1 183 ? 37.710 33.669 9.334 1.00 73.60 ? 875 LYS A CE 1 \nATOM 1382 N NZ . LYS A 1 183 ? 38.878 33.251 10.159 1.00 70.79 ? 875 LYS A NZ 1 \nATOM 1383 N N . VAL A 1 184 ? 33.178 29.320 8.449 1.00 41.20 ? 876 VAL A N 1 \nATOM 1384 C CA . VAL A 1 184 ? 32.211 28.241 8.736 1.00 40.30 ? 876 VAL A CA 1 \nATOM 1385 C C . VAL A 1 184 ? 32.294 27.905 10.232 1.00 36.00 ? 876 VAL A C 1 \nATOM 1386 O O . VAL A 1 184 ? 33.310 28.204 10.880 1.00 41.42 ? 876 VAL A O 1 \nATOM 1387 C CB . VAL A 1 184 ? 32.448 26.993 7.845 1.00 35.33 ? 876 VAL A CB 1 \nATOM 1388 C CG1 . VAL A 1 184 ? 31.864 27.218 6.452 1.00 38.11 ? 876 VAL A CG1 1 \nATOM 1389 C CG2 . VAL A 1 184 ? 33.937 26.669 7.743 1.00 40.25 ? 876 VAL A CG2 1 \nATOM 1390 N N . PRO A 1 185 ? 31.232 27.304 10.788 1.00 36.65 ? 877 PRO A N 1 \nATOM 1391 C CA . PRO A 1 185 ? 31.168 27.085 12.243 1.00 32.43 ? 877 PRO A CA 1 \nATOM 1392 C C . PRO A 1 185 ? 31.989 25.871 12.669 1.00 33.61 ? 877 PRO A C 1 \nATOM 1393 O O . PRO A 1 185 ? 31.446 24.822 12.981 1.00 29.15 ? 877 PRO A O 1 \nATOM 1394 C CB . PRO A 1 185 ? 29.664 26.864 12.491 1.00 35.69 ? 877 PRO A CB 1 \nATOM 1395 C CG . PRO A 1 185 ? 29.144 26.302 11.211 1.00 33.67 ? 877 PRO A CG 1 \nATOM 1396 C CD . PRO A 1 185 ? 29.979 26.910 10.106 1.00 41.66 ? 877 PRO A CD 1 \nATOM 1397 N N . ILE A 1 186 ? 33.310 26.025 12.729 1.00 27.90 ? 878 ILE A N 1 \nATOM 1398 C CA . ILE A 1 186 ? 34.195 24.889 12.915 1.00 32.46 ? 878 ILE A CA 1 \nATOM 1399 C C . ILE A 1 186 ? 33.910 24.020 14.142 1.00 28.85 ? 878 ILE A C 1 \nATOM 1400 O O . ILE A 1 186 ? 34.082 22.801 14.086 1.00 28.98 ? 878 ILE A O 1 \nATOM 1401 C CB . ILE A 1 186 ? 35.683 25.345 12.980 1.00 32.09 ? 878 ILE A CB 1 \nATOM 1402 C CG1 . ILE A 1 186 ? 36.148 25.881 11.621 1.00 36.30 ? 878 ILE A CG1 1 \nATOM 1403 C CG2 . ILE A 1 186 ? 36.569 24.207 13.469 1.00 32.69 ? 878 ILE A CG2 1 \nATOM 1404 C CD1 . ILE A 1 186 ? 36.435 24.842 10.543 1.00 39.95 ? 878 ILE A CD1 1 \nATOM 1405 N N . LYS A 1 187 ? 33.533 24.645 15.259 1.00 29.60 ? 879 LYS A N 1 \nATOM 1406 C CA . LYS A 1 187 ? 33.367 23.911 16.510 1.00 26.22 ? 879 LYS A CA 1 \nATOM 1407 C C . LYS A 1 187 ? 32.094 23.034 16.526 1.00 24.84 ? 879 LYS A C 1 \nATOM 1408 O O . LYS A 1 187 ? 31.891 22.260 17.448 1.00 28.78 ? 879 LYS A O 1 \nATOM 1409 C CB . LYS A 1 187 ? 33.430 24.858 17.716 1.00 28.83 ? 879 LYS A CB 1 \nATOM 1410 C CG . LYS A 1 187 ? 34.842 25.401 17.951 1.00 38.19 ? 879 LYS A CG 1 \nATOM 1411 C CD . LYS A 1 187 ? 34.830 26.562 18.934 1.00 40.19 ? 879 LYS A CD 1 \nATOM 1412 C CE . LYS A 1 187 ? 36.246 27.029 19.228 1.00 32.84 ? 879 LYS A CE 1 \nATOM 1413 N NZ . LYS A 1 187 ? 36.263 28.136 20.240 1.00 34.70 ? 879 LYS A NZ 1 \nATOM 1414 N N . TRP A 1 188 ? 31.280 23.157 15.489 1.00 24.85 ? 880 TRP A N 1 \nATOM 1415 C CA . TRP A 1 188 ? 30.110 22.292 15.307 1.00 31.64 ? 880 TRP A CA 1 \nATOM 1416 C C . TRP A 1 188 ? 30.306 21.259 14.183 1.00 30.59 ? 880 TRP A C 1 \nATOM 1417 O O . TRP A 1 188 ? 29.457 20.390 13.978 1.00 34.02 ? 880 TRP A O 1 \nATOM 1418 C CB . TRP A 1 188 ? 28.878 23.149 15.031 1.00 27.14 ? 880 TRP A CB 1 \nATOM 1419 C CG . TRP A 1 188 ? 28.339 23.795 16.290 1.00 28.73 ? 880 TRP A CG 1 \nATOM 1420 C CD1 . TRP A 1 188 ? 27.276 23.367 17.051 1.00 28.66 ? 880 TRP A CD1 1 \nATOM 1421 C CD2 . TRP A 1 188 ? 28.859 24.962 16.945 1.00 31.97 ? 880 TRP A CD2 1 \nATOM 1422 N NE1 . TRP A 1 188 ? 27.115 24.199 18.138 1.00 28.60 ? 880 TRP A NE1 1 \nATOM 1423 C CE2 . TRP A 1 188 ? 28.064 25.190 18.091 1.00 30.62 ? 880 TRP A CE2 1 \nATOM 1424 C CE3 . TRP A 1 188 ? 29.917 25.850 16.662 1.00 31.59 ? 880 TRP A CE3 1 \nATOM 1425 C CZ2 . TRP A 1 188 ? 28.291 26.276 18.965 1.00 31.23 ? 880 TRP A CZ2 1 \nATOM 1426 C CZ3 . TRP A 1 188 ? 30.154 26.923 17.542 1.00 30.88 ? 880 TRP A CZ3 1 \nATOM 1427 C CH2 . TRP A 1 188 ? 29.358 27.112 18.676 1.00 25.65 ? 880 TRP A CH2 1 \nATOM 1428 N N . MET A 1 189 ? 31.427 21.349 13.460 1.00 27.44 ? 881 MET A N 1 \nATOM 1429 C CA . MET A 1 189 ? 31.540 20.623 12.193 1.00 26.86 ? 881 MET A CA 1 \nATOM 1430 C C . MET A 1 189 ? 32.150 19.249 12.353 1.00 28.50 ? 881 MET A C 1 \nATOM 1431 O O . MET A 1 189 ? 33.062 19.068 13.159 1.00 28.72 ? 881 MET A O 1 \nATOM 1432 C CB . MET A 1 189 ? 32.326 21.432 11.154 1.00 29.39 ? 881 MET A CB 1 \nATOM 1433 C CG . MET A 1 189 ? 31.563 22.600 10.554 1.00 32.10 ? 881 MET A CG 1 \nATOM 1434 S SD . MET A 1 189 ? 32.705 23.710 9.728 1.00 36.98 ? 881 MET A SD 1 \nATOM 1435 C CE . MET A 1 189 ? 33.274 22.696 8.370 1.00 32.20 ? 881 MET A CE 1 \nATOM 1436 N N . ALA A 1 190 ? 31.666 18.280 11.573 1.00 27.59 ? 882 ALA A N 1 \nATOM 1437 C CA . ALA A 1 190 ? 32.274 16.941 11.583 1.00 23.42 ? 882 ALA A CA 1 \nATOM 1438 C C . ALA A 1 190 ? 33.701 17.054 11.025 1.00 26.24 ? 882 ALA A C 1 \nATOM 1439 O O . ALA A 1 190 ? 33.983 17.914 10.193 1.00 25.83 ? 882 ALA A O 1 \nATOM 1440 C CB . ALA A 1 190 ? 31.483 15.966 10.710 1.00 21.36 ? 882 ALA A CB 1 \nATOM 1441 N N . LEU A 1 191 ? 34.575 16.153 11.432 1.00 29.23 ? 883 LEU A N 1 \nATOM 1442 C CA . LEU A 1 191 ? 35.973 16.210 10.953 1.00 30.11 ? 883 LEU A CA 1 \nATOM 1443 C C . LEU A 1 191 ? 36.095 16.155 9.415 1.00 31.93 ? 883 LEU A C 1 \nATOM 1444 O O . LEU A 1 191 ? 36.886 16.913 8.820 1.00 28.83 ? 883 LEU A O 1 \nATOM 1445 C CB . LEU A 1 191 ? 36.804 15.101 11.603 1.00 29.10 ? 883 LEU A CB 1 \nATOM 1446 C CG . LEU A 1 191 ? 38.327 15.214 11.398 1.00 28.93 ? 883 LEU A CG 1 \nATOM 1447 C CD1 . LEU A 1 191 ? 38.797 16.632 11.665 1.00 33.97 ? 883 LEU A CD1 1 \nATOM 1448 C CD2 . LEU A 1 191 ? 39.017 14.211 12.293 1.00 29.31 ? 883 LEU A CD2 1 \nATOM 1449 N N . GLU A 1 192 ? 35.311 15.288 8.761 1.00 21.95 ? 884 GLU A N 1 \nATOM 1450 C CA . GLU A 1 192 ? 35.344 15.209 7.296 1.00 22.92 ? 884 GLU A CA 1 \nATOM 1451 C C . GLU A 1 192 ? 34.876 16.508 6.591 1.00 26.17 ? 884 GLU A C 1 \nATOM 1452 O O . GLU A 1 192 ? 35.268 16.778 5.447 1.00 24.35 ? 884 GLU A O 1 \nATOM 1453 C CB . GLU A 1 192 ? 34.646 13.943 6.753 1.00 26.86 ? 884 GLU A CB 1 \nATOM 1454 C CG . GLU A 1 192 ? 33.105 13.951 6.895 1.00 27.94 ? 884 GLU A CG 1 \nATOM 1455 C CD . GLU A 1 192 ? 32.564 13.567 8.273 1.00 29.05 ? 884 GLU A CD 1 \nATOM 1456 O OE1 . GLU A 1 192 ? 33.301 13.408 9.265 1.00 25.06 ? 884 GLU A OE1 1 \nATOM 1457 O OE2 . GLU A 1 192 ? 31.319 13.447 8.409 1.00 23.90 ? 884 GLU A OE2 1 \nATOM 1458 N N . SER A 1 193 ? 34.033 17.294 7.263 1.00 30.81 ? 885 SER A N 1 \nATOM 1459 C CA . SER A 1 193 ? 33.587 18.585 6.721 1.00 25.73 ? 885 SER A CA 1 \nATOM 1460 C C . SER A 1 193 ? 34.723 19.608 6.802 1.00 27.51 ? 885 SER A C 1 \nATOM 1461 O O . SER A 1 193 ? 34.939 20.392 5.877 1.00 29.16 ? 885 SER A O 1 \nATOM 1462 C CB . SER A 1 193 ? 32.382 19.102 7.520 1.00 26.41 ? 885 SER A CB 1 \nATOM 1463 O OG . SER A 1 193 ? 31.330 18.146 7.461 1.00 29.44 ? 885 SER A OG 1 \nATOM 1464 N N . ILE A 1 194 ? 35.414 19.578 7.929 1.00 25.32 ? 886 ILE A N 1 \nATOM 1465 C CA . ILE A 1 194 ? 36.574 20.454 8.176 1.00 30.05 ? 886 ILE A CA 1 \nATOM 1466 C C . ILE A 1 194 ? 37.659 20.144 7.152 1.00 30.18 ? 886 ILE A C 1 \nATOM 1467 O O . ILE A 1 194 ? 38.150 21.055 6.475 1.00 32.84 ? 886 ILE A O 1 \nATOM 1468 C CB . ILE A 1 194 ? 37.110 20.303 9.615 1.00 36.22 ? 886 ILE A CB 1 \nATOM 1469 C CG1 . ILE A 1 194 ? 36.049 20.780 10.634 1.00 31.72 ? 886 ILE A CG1 1 \nATOM 1470 C CG2 . ILE A 1 194 ? 38.400 21.107 9.804 1.00 32.89 ? 886 ILE A CG2 1 \nATOM 1471 C CD1 . ILE A 1 194 ? 36.393 20.470 12.086 1.00 30.73 ? 886 ILE A CD1 1 \nATOM 1472 N N . LEU A 1 195 ? 37.993 18.853 6.989 1.00 31.51 ? 887 LEU A N 1 \nATOM 1473 C CA . LEU A 1 195 ? 39.125 18.443 6.148 1.00 34.19 ? 887 LEU A CA 1 \nATOM 1474 C C . LEU A 1 195 ? 38.849 18.409 4.655 1.00 36.04 ? 887 LEU A C 1 \nATOM 1475 O O . LEU A 1 195 ? 39.732 18.687 3.891 1.00 26.34 ? 887 LEU A O 1 \nATOM 1476 C CB . LEU A 1 195 ? 39.729 17.097 6.600 1.00 30.53 ? 887 LEU A CB 1 \nATOM 1477 C CG . LEU A 1 195 ? 40.150 17.042 8.077 1.00 39.64 ? 887 LEU A CG 1 \nATOM 1478 C CD1 . LEU A 1 195 ? 40.469 15.608 8.488 1.00 38.89 ? 887 LEU A CD1 1 \nATOM 1479 C CD2 . LEU A 1 195 ? 41.336 17.967 8.366 1.00 35.87 ? 887 LEU A CD2 1 \nATOM 1480 N N . HIS A 1 196 ? 37.628 18.086 4.233 1.00 26.10 ? 888 HIS A N 1 \nATOM 1481 C CA . HIS A 1 196 ? 37.369 17.835 2.818 1.00 24.98 ? 888 HIS A CA 1 \nATOM 1482 C C . HIS A 1 196 ? 36.058 18.409 2.302 1.00 28.24 ? 888 HIS A C 1 \nATOM 1483 O O . HIS A 1 196 ? 35.654 18.072 1.186 1.00 27.84 ? 888 HIS A O 1 \nATOM 1484 C CB . HIS A 1 196 ? 37.363 16.319 2.542 1.00 29.19 ? 888 HIS A CB 1 \nATOM 1485 C CG . HIS A 1 196 ? 38.705 15.681 2.728 1.00 31.15 ? 888 HIS A CG 1 \nATOM 1486 N ND1 . HIS A 1 196 ? 39.739 15.857 1.835 1.00 34.56 ? 888 HIS A ND1 1 \nATOM 1487 C CD2 . HIS A 1 196 ? 39.188 14.892 3.718 1.00 31.38 ? 888 HIS A CD2 1 \nATOM 1488 C CE1 . HIS A 1 196 ? 40.807 15.208 2.270 1.00 34.69 ? 888 HIS A CE1 1 \nATOM 1489 N NE2 . HIS A 1 196 ? 40.496 14.601 3.401 1.00 35.08 ? 888 HIS A NE2 1 \nATOM 1490 N N . ARG A 1 197 ? 35.422 19.255 3.114 1.00 25.02 ? 889 ARG A N 1 \nATOM 1491 C CA . ARG A 1 197 ? 34.179 19.942 2.731 1.00 32.39 ? 889 ARG A CA 1 \nATOM 1492 C C . ARG A 1 197 ? 33.118 18.923 2.370 1.00 26.78 ? 889 ARG A C 1 \nATOM 1493 O O . ARG A 1 197 ? 32.276 19.159 1.484 1.00 29.23 ? 889 ARG A O 1 \nATOM 1494 C CB . ARG A 1 197 ? 34.429 20.930 1.578 1.00 31.37 ? 889 ARG A CB 1 \nATOM 1495 C CG . ARG A 1 197 ? 35.516 21.943 1.891 1.00 33.25 ? 889 ARG A CG 1 \nATOM 1496 C CD . ARG A 1 197 ? 35.608 22.980 0.779 1.00 39.11 ? 889 ARG A CD 1 \nATOM 1497 N NE . ARG A 1 197 ? 36.544 24.044 1.105 1.00 37.65 ? 889 ARG A NE 1 \nATOM 1498 C CZ . ARG A 1 197 ? 37.701 24.266 0.468 1.00 46.93 ? 889 ARG A CZ 1 \nATOM 1499 N NH1 . ARG A 1 197 ? 38.074 23.526 -0.570 1.00 38.03 ? 889 ARG A NH1 1 \nATOM 1500 N NH2 . ARG A 1 197 ? 38.476 25.267 0.846 1.00 40.00 ? 889 ARG A NH2 1 \nATOM 1501 N N . ILE A 1 198 ? 33.175 17.774 3.039 1.00 26.13 ? 890 ILE A N 1 \nATOM 1502 C CA . ILE A 1 198 ? 32.145 16.730 2.876 1.00 29.66 ? 890 ILE A CA 1 \nATOM 1503 C C . ILE A 1 198 ? 31.018 17.016 3.855 1.00 26.43 ? 890 ILE A C 1 \nATOM 1504 O O . ILE A 1 198 ? 31.245 17.066 5.063 1.00 26.43 ? 890 ILE A O 1 \nATOM 1505 C CB . ILE A 1 198 ? 32.701 15.296 3.144 1.00 29.59 ? 890 ILE A CB 1 \nATOM 1506 C CG1 . ILE A 1 198 ? 33.716 14.901 2.071 1.00 34.56 ? 890 ILE A CG1 1 \nATOM 1507 C CG2 . ILE A 1 198 ? 31.564 14.262 3.147 1.00 26.41 ? 890 ILE A CG2 1 \nATOM 1508 C CD1 . ILE A 1 198 ? 34.686 13.798 2.502 1.00 27.38 ? 890 ILE A CD1 1 \nATOM 1509 N N . TYR A 1 199 ? 29.787 17.135 3.328 1.00 27.40 ? 891 TYR A N 1 \nATOM 1510 C CA . TYR A 1 199 ? 28.606 17.370 4.144 1.00 29.79 ? 891 TYR A CA 1 \nATOM 1511 C C . TYR A 1 199 ? 27.537 16.381 3.726 1.00 26.49 ? 891 TYR A C 1 \nATOM 1512 O O . TYR A 1 199 ? 27.188 16.314 2.550 1.00 29.21 ? 891 TYR A O 1 \nATOM 1513 C CB . TYR A 1 199 ? 28.046 18.756 3.884 1.00 31.16 ? 891 TYR A CB 1 \nATOM 1514 C CG . TYR A 1 199 ? 28.844 19.897 4.436 1.00 32.59 ? 891 TYR A CG 1 \nATOM 1515 C CD1 . TYR A 1 199 ? 28.639 20.341 5.751 1.00 30.54 ? 891 TYR A CD1 1 \nATOM 1516 C CD2 . TYR A 1 199 ? 29.797 20.548 3.648 1.00 32.80 ? 891 TYR A CD2 1 \nATOM 1517 C CE1 . TYR A 1 199 ? 29.363 21.411 6.254 1.00 37.58 ? 891 TYR A CE1 1 \nATOM 1518 C CE2 . TYR A 1 199 ? 30.514 21.623 4.141 1.00 34.48 ? 891 TYR A CE2 1 \nATOM 1519 C CZ . TYR A 1 199 ? 30.291 22.043 5.443 1.00 35.46 ? 891 TYR A CZ 1 \nATOM 1520 O OH . TYR A 1 199 ? 30.976 23.117 5.945 1.00 42.40 ? 891 TYR A OH 1 \nATOM 1521 N N . THR A 1 200 ? 27.092 15.591 4.699 1.00 27.14 ? 892 THR A N 1 \nATOM 1522 C CA . THR A 1 200 ? 26.052 14.573 4.503 1.00 28.00 ? 892 THR A CA 1 \nATOM 1523 C C . THR A 1 200 ? 25.132 14.670 5.688 1.00 24.99 ? 892 THR A C 1 \nATOM 1524 O O . THR A 1 200 ? 25.394 15.437 6.647 1.00 24.52 ? 892 THR A O 1 \nATOM 1525 C CB . THR A 1 200 ? 26.656 13.161 4.529 1.00 24.93 ? 892 THR A CB 1 \nATOM 1526 O OG1 . THR A 1 200 ? 27.152 12.906 5.842 1.00 26.37 ? 892 THR A OG1 1 \nATOM 1527 C CG2 . THR A 1 200 ? 27.808 13.012 3.492 1.00 29.56 ? 892 THR A CG2 1 \nATOM 1528 N N . HIS A 1 201 ? 24.060 13.868 5.664 1.00 26.44 ? 893 HIS A N 1 \nATOM 1529 C CA . HIS A 1 201 ? 23.230 13.753 6.839 1.00 29.70 ? 893 HIS A CA 1 \nATOM 1530 C C . HIS A 1 201 ? 23.987 13.219 8.061 1.00 24.12 ? 893 HIS A C 1 \nATOM 1531 O O . HIS A 1 201 ? 23.680 13.585 9.197 1.00 22.63 ? 893 HIS A O 1 \nATOM 1532 C CB . HIS A 1 201 ? 21.929 12.993 6.484 1.00 25.97 ? 893 HIS A CB 1 \nATOM 1533 C CG . HIS A 1 201 ? 21.172 13.679 5.386 1.00 27.52 ? 893 HIS A CG 1 \nATOM 1534 N ND1 . HIS A 1 201 ? 20.529 14.883 5.575 1.00 28.59 ? 893 HIS A ND1 1 \nATOM 1535 C CD2 . HIS A 1 201 ? 21.051 13.390 4.069 1.00 28.83 ? 893 HIS A CD2 1 \nATOM 1536 C CE1 . HIS A 1 201 ? 20.035 15.299 4.425 1.00 27.39 ? 893 HIS A CE1 1 \nATOM 1537 N NE2 . HIS A 1 201 ? 20.298 14.394 3.505 1.00 32.49 ? 893 HIS A NE2 1 \nATOM 1538 N N . GLN A 1 202 ? 25.059 12.470 7.828 1.00 26.66 ? 894 GLN A N 1 \nATOM 1539 C CA . GLN A 1 202 ? 25.919 11.997 8.926 1.00 29.47 ? 894 GLN A CA 1 \nATOM 1540 C C . GLN A 1 202 ? 26.906 13.056 9.499 1.00 26.86 ? 894 GLN A C 1 \nATOM 1541 O O . GLN A 1 202 ? 27.298 12.991 10.667 1.00 22.97 ? 894 GLN A O 1 \nATOM 1542 C CB . GLN A 1 202 ? 26.654 10.708 8.491 1.00 27.17 ? 894 GLN A CB 1 \nATOM 1543 C CG . GLN A 1 202 ? 25.705 9.525 8.192 1.00 24.91 ? 894 GLN A CG 1 \nATOM 1544 C CD . GLN A 1 202 ? 24.783 9.234 9.369 1.00 30.07 ? 894 GLN A CD 1 \nATOM 1545 O OE1 . GLN A 1 202 ? 23.581 9.588 9.349 1.00 27.00 ? 894 GLN A OE1 1 \nATOM 1546 N NE2 . GLN A 1 202 ? 25.334 8.605 10.418 1.00 27.72 ? 894 GLN A NE2 1 \nATOM 1547 N N . SER A 1 203 ? 27.288 14.034 8.695 1.00 24.14 ? 895 SER A N 1 \nATOM 1548 C CA . SER A 1 203 ? 27.927 15.211 9.257 1.00 27.27 ? 895 SER A CA 1 \nATOM 1549 C C . SER A 1 203 ? 26.958 16.056 10.075 1.00 27.74 ? 895 SER A C 1 \nATOM 1550 O O . SER A 1 203 ? 27.372 16.618 11.077 1.00 25.43 ? 895 SER A O 1 \nATOM 1551 C CB . SER A 1 203 ? 28.699 16.026 8.208 1.00 31.60 ? 895 SER A CB 1 \nATOM 1552 O OG . SER A 1 203 ? 27.862 16.621 7.234 1.00 25.89 ? 895 SER A OG 1 \nATOM 1553 N N . ASP A 1 204 ? 25.672 16.123 9.675 1.00 26.73 ? 896 ASP A N 1 \nATOM 1554 C CA . ASP A 1 204 ? 24.643 16.770 10.518 1.00 24.53 ? 896 ASP A CA 1 \nATOM 1555 C C . ASP A 1 204 ? 24.481 16.058 11.860 1.00 20.29 ? 896 ASP A C 1 \nATOM 1556 O O . ASP A 1 204 ? 24.275 16.687 12.887 1.00 22.46 ? 896 ASP A O 1 \nATOM 1557 C CB . ASP A 1 204 ? 23.246 16.817 9.833 1.00 28.43 ? 896 ASP A CB 1 \nATOM 1558 C CG . ASP A 1 204 ? 23.121 17.900 8.737 1.00 31.24 ? 896 ASP A CG 1 \nATOM 1559 O OD1 . ASP A 1 204 ? 22.115 17.834 7.982 1.00 27.91 ? 896 ASP A OD1 1 \nATOM 1560 O OD2 . ASP A 1 204 ? 23.997 18.781 8.573 1.00 26.34 ? 896 ASP A OD2 1 \nATOM 1561 N N . VAL A 1 205 ? 24.598 14.736 11.846 1.00 20.23 ? 897 VAL A N 1 \nATOM 1562 C CA . VAL A 1 205 ? 24.610 13.991 13.102 1.00 19.28 ? 897 VAL A CA 1 \nATOM 1563 C C . VAL A 1 205 ? 25.629 14.450 14.120 1.00 25.81 ? 897 VAL A C 1 \nATOM 1564 O O . VAL A 1 205 ? 25.320 14.560 15.295 1.00 22.78 ? 897 VAL A O 1 \nATOM 1565 C CB . VAL A 1 205 ? 24.658 12.448 12.868 1.00 19.54 ? 897 VAL A CB 1 \nATOM 1566 C CG1 . VAL A 1 205 ? 24.843 11.704 14.183 1.00 19.88 ? 897 VAL A CG1 1 \nATOM 1567 C CG2 . VAL A 1 205 ? 23.325 11.945 12.233 1.00 24.43 ? 897 VAL A CG2 1 \nATOM 1568 N N . TRP A 1 206 ? 26.864 14.693 13.659 1.00 21.20 ? 898 TRP A N 1 \nATOM 1569 C CA . TRP A 1 206 ? 27.927 15.223 14.521 1.00 24.82 ? 898 TRP A CA 1 \nATOM 1570 C C . TRP A 1 206 ? 27.505 16.541 15.151 1.00 23.28 ? 898 TRP A C 1 \nATOM 1571 O O . TRP A 1 206 ? 27.615 16.712 16.379 1.00 21.81 ? 898 TRP A O 1 \nATOM 1572 C CB . TRP A 1 206 ? 29.205 15.401 13.666 1.00 22.74 ? 898 TRP A CB 1 \nATOM 1573 C CG . TRP A 1 206 ? 30.380 15.970 14.398 1.00 20.42 ? 898 TRP A CG 1 \nATOM 1574 C CD1 . TRP A 1 206 ? 30.466 17.185 15.058 1.00 24.29 ? 898 TRP A CD1 1 \nATOM 1575 C CD2 . TRP A 1 206 ? 31.674 15.336 14.558 1.00 24.05 ? 898 TRP A CD2 1 \nATOM 1576 N NE1 . TRP A 1 206 ? 31.757 17.336 15.607 1.00 23.39 ? 898 TRP A NE1 1 \nATOM 1577 C CE2 . TRP A 1 206 ? 32.494 16.220 15.304 1.00 23.70 ? 898 TRP A CE2 1 \nATOM 1578 C CE3 . TRP A 1 206 ? 32.210 14.127 14.116 1.00 26.61 ? 898 TRP A CE3 1 \nATOM 1579 C CZ2 . TRP A 1 206 ? 33.837 15.910 15.635 1.00 27.97 ? 898 TRP A CZ2 1 \nATOM 1580 C CZ3 . TRP A 1 206 ? 33.568 13.828 14.425 1.00 27.65 ? 898 TRP A CZ3 1 \nATOM 1581 C CH2 . TRP A 1 206 ? 34.333 14.704 15.185 1.00 26.29 ? 898 TRP A CH2 1 \nATOM 1582 N N . SER A 1 207 ? 26.971 17.444 14.316 1.00 21.82 ? 899 SER A N 1 \nATOM 1583 C CA . SER A 1 207 ? 26.558 18.772 14.763 1.00 21.42 ? 899 SER A CA 1 \nATOM 1584 C C . SER A 1 207 ? 25.369 18.645 15.715 1.00 24.08 ? 899 SER A C 1 \nATOM 1585 O O . SER A 1 207 ? 25.228 19.457 16.652 1.00 23.02 ? 899 SER A O 1 \nATOM 1586 C CB . SER A 1 207 ? 26.142 19.636 13.571 1.00 22.79 ? 899 SER A CB 1 \nATOM 1587 O OG . SER A 1 207 ? 27.196 19.709 12.622 1.00 29.32 ? 899 SER A OG 1 \nATOM 1588 N N . TYR A 1 208 ? 24.551 17.615 15.484 1.00 24.08 ? 900 TYR A N 1 \nATOM 1589 C CA . TYR A 1 208 ? 23.474 17.266 16.443 1.00 22.45 ? 900 TYR A CA 1 \nATOM 1590 C C . TYR A 1 208 ? 24.039 16.904 17.797 1.00 24.83 ? 900 TYR A C 1 \nATOM 1591 O O . TYR A 1 208 ? 23.514 17.330 18.811 1.00 22.80 ? 900 TYR A O 1 \nATOM 1592 C CB . TYR A 1 208 ? 22.565 16.129 15.923 1.00 26.91 ? 900 TYR A CB 1 \nATOM 1593 C CG . TYR A 1 208 ? 21.483 15.683 16.918 1.00 24.64 ? 900 TYR A CG 1 \nATOM 1594 C CD1 . TYR A 1 208 ? 21.709 14.629 17.818 1.00 24.58 ? 900 TYR A CD1 1 \nATOM 1595 C CD2 . TYR A 1 208 ? 20.207 16.282 16.921 1.00 29.41 ? 900 TYR A CD2 1 \nATOM 1596 C CE1 . TYR A 1 208 ? 20.714 14.188 18.692 1.00 30.37 ? 900 TYR A CE1 1 \nATOM 1597 C CE2 . TYR A 1 208 ? 19.220 15.867 17.813 1.00 25.82 ? 900 TYR A CE2 1 \nATOM 1598 C CZ . TYR A 1 208 ? 19.472 14.819 18.694 1.00 30.20 ? 900 TYR A CZ 1 \nATOM 1599 O OH . TYR A 1 208 ? 18.495 14.386 19.571 1.00 29.23 ? 900 TYR A OH 1 \nATOM 1600 N N . GLY A 1 209 ? 25.144 16.142 17.822 1.00 25.68 ? 901 GLY A N 1 \nATOM 1601 C CA . GLY A 1 209 ? 25.756 15.748 19.096 1.00 23.98 ? 901 GLY A CA 1 \nATOM 1602 C C . GLY A 1 209 ? 26.223 17.007 19.827 1.00 24.33 ? 901 GLY A C 1 \nATOM 1603 O O . GLY A 1 209 ? 26.101 17.084 21.035 1.00 23.86 ? 901 GLY A O 1 \nATOM 1604 N N . VAL A 1 210 ? 26.818 17.960 19.086 1.00 25.05 ? 902 VAL A N 1 \nATOM 1605 C CA . VAL A 1 210 ? 27.315 19.214 19.683 1.00 21.83 ? 902 VAL A CA 1 \nATOM 1606 C C . VAL A 1 210 ? 26.114 20.019 20.243 1.00 24.08 ? 902 VAL A C 1 \nATOM 1607 O O . VAL A 1 210 ? 26.152 20.532 21.345 1.00 26.25 ? 902 VAL A O 1 \nATOM 1608 C CB . VAL A 1 210 ? 28.167 20.062 18.704 1.00 24.89 ? 902 VAL A CB 1 \nATOM 1609 C CG1 . VAL A 1 210 ? 28.771 21.289 19.420 1.00 26.81 ? 902 VAL A CG1 1 \nATOM 1610 C CG2 . VAL A 1 210 ? 29.308 19.223 18.111 1.00 22.20 ? 902 VAL A CG2 1 \nATOM 1611 N N . THR A 1 211 ? 25.058 20.097 19.457 1.00 23.91 ? 903 THR A N 1 \nATOM 1612 C CA . THR A 1 211 ? 23.826 20.789 19.902 1.00 24.59 ? 903 THR A CA 1 \nATOM 1613 C C . THR A 1 211 ? 23.306 20.220 21.235 1.00 20.47 ? 903 THR A C 1 \nATOM 1614 O O . THR A 1 211 ? 23.031 20.953 22.193 1.00 23.36 ? 903 THR A O 1 \nATOM 1615 C CB . THR A 1 211 ? 22.761 20.724 18.787 1.00 22.55 ? 903 THR A CB 1 \nATOM 1616 O OG1 . THR A 1 211 ? 23.273 21.268 17.569 1.00 24.10 ? 903 THR A OG1 1 \nATOM 1617 C CG2 . THR A 1 211 ? 21.429 21.492 19.168 1.00 24.23 ? 903 THR A CG2 1 \nATOM 1618 N N . VAL A 1 212 ? 23.170 18.901 21.300 1.00 22.65 ? 904 VAL A N 1 \nATOM 1619 C CA . VAL A 1 212 ? 22.729 18.231 22.517 1.00 24.32 ? 904 VAL A CA 1 \nATOM 1620 C C . VAL A 1 212 ? 23.639 18.562 23.686 1.00 29.53 ? 904 VAL A C 1 \nATOM 1621 O O . VAL A 1 212 ? 23.174 18.813 24.780 1.00 25.51 ? 904 VAL A O 1 \nATOM 1622 C CB . VAL A 1 212 ? 22.614 16.698 22.303 1.00 26.14 ? 904 VAL A CB 1 \nATOM 1623 C CG1 . VAL A 1 212 ? 22.367 15.967 23.621 1.00 32.14 ? 904 VAL A CG1 1 \nATOM 1624 C CG2 . VAL A 1 212 ? 21.469 16.388 21.352 1.00 29.78 ? 904 VAL A CG2 1 \nATOM 1625 N N . TRP A 1 213 ? 24.951 18.547 23.442 1.00 25.37 ? 905 TRP A N 1 \nATOM 1626 C CA . TRP A 1 213 ? 25.909 18.952 24.450 1.00 26.02 ? 905 TRP A CA 1 \nATOM 1627 C C . TRP A 1 213 ? 25.618 20.397 24.929 1.00 25.24 ? 905 TRP A C 1 \nATOM 1628 O O . TRP A 1 213 ? 25.647 20.692 26.122 1.00 25.58 ? 905 TRP A O 1 \nATOM 1629 C CB . TRP A 1 213 ? 27.344 18.846 23.879 1.00 27.12 ? 905 TRP A CB 1 \nATOM 1630 C CG . TRP A 1 213 ? 28.457 19.135 24.901 1.00 29.75 ? 905 TRP A CG 1 \nATOM 1631 C CD1 . TRP A 1 213 ? 29.071 18.227 25.727 1.00 29.86 ? 905 TRP A CD1 1 \nATOM 1632 C CD2 . TRP A 1 213 ? 29.059 20.406 25.194 1.00 29.09 ? 905 TRP A CD2 1 \nATOM 1633 N NE1 . TRP A 1 213 ? 30.016 18.857 26.518 1.00 27.53 ? 905 TRP A NE1 1 \nATOM 1634 C CE2 . TRP A 1 213 ? 30.038 20.187 26.202 1.00 31.67 ? 905 TRP A CE2 1 \nATOM 1635 C CE3 . TRP A 1 213 ? 28.896 21.705 24.680 1.00 29.99 ? 905 TRP A CE3 1 \nATOM 1636 C CZ2 . TRP A 1 213 ? 30.822 21.226 26.732 1.00 31.76 ? 905 TRP A CZ2 1 \nATOM 1637 C CZ3 . TRP A 1 213 ? 29.670 22.739 25.211 1.00 29.19 ? 905 TRP A CZ3 1 \nATOM 1638 C CH2 . TRP A 1 213 ? 30.632 22.487 26.218 1.00 31.16 ? 905 TRP A CH2 1 \nATOM 1639 N N . GLU A 1 214 ? 25.375 21.300 23.992 1.00 23.57 ? 906 GLU A N 1 \nATOM 1640 C CA . GLU A 1 214 ? 25.081 22.673 24.361 1.00 26.68 ? 906 GLU A CA 1 \nATOM 1641 C C . GLU A 1 214 ? 23.849 22.707 25.272 1.00 29.46 ? 906 GLU A C 1 \nATOM 1642 O O . GLU A 1 214 ? 23.811 23.439 26.244 1.00 30.72 ? 906 GLU A O 1 \nATOM 1643 C CB . GLU A 1 214 ? 24.731 23.494 23.126 1.00 29.21 ? 906 GLU A CB 1 \nATOM 1644 C CG . GLU A 1 214 ? 25.885 23.793 22.205 1.00 26.76 ? 906 GLU A CG 1 \nATOM 1645 C CD . GLU A 1 214 ? 25.419 24.646 21.045 1.00 26.29 ? 906 GLU A CD 1 \nATOM 1646 O OE1 . GLU A 1 214 ? 25.522 25.884 21.177 1.00 28.98 ? 906 GLU A OE1 1 \nATOM 1647 O OE2 . GLU A 1 214 ? 24.934 24.103 20.035 1.00 28.76 ? 906 GLU A OE2 1 \nATOM 1648 N N . LEU A 1 215 ? 22.852 21.897 24.946 1.00 28.88 ? 907 LEU A N 1 \nATOM 1649 C CA . LEU A 1 215 ? 21.629 21.859 25.737 1.00 31.17 ? 907 LEU A CA 1 \nATOM 1650 C C . LEU A 1 215 ? 21.876 21.375 27.176 1.00 30.41 ? 907 LEU A C 1 \nATOM 1651 O O . LEU A 1 215 ? 21.476 22.031 28.157 1.00 31.35 ? 907 LEU A O 1 \nATOM 1652 C CB . LEU A 1 215 ? 20.588 20.965 25.036 1.00 30.07 ? 907 LEU A CB 1 \nATOM 1653 C CG . LEU A 1 215 ? 20.073 21.493 23.692 1.00 29.46 ? 907 LEU A CG 1 \nATOM 1654 C CD1 . LEU A 1 215 ? 18.881 20.670 23.250 1.00 32.66 ? 907 LEU A CD1 1 \nATOM 1655 C CD2 . LEU A 1 215 ? 19.698 22.976 23.760 1.00 30.38 ? 907 LEU A CD2 1 \nATOM 1656 N N . MET A 1 216 ? 22.572 20.248 27.280 1.00 33.26 ? 908 MET A N 1 \nATOM 1657 C CA . MET A 1 216 ? 22.815 19.567 28.555 1.00 33.03 ? 908 MET A CA 1 \nATOM 1658 C C . MET A 1 216 ? 23.776 20.319 29.480 1.00 33.19 ? 908 MET A C 1 \nATOM 1659 O O . MET A 1 216 ? 23.833 20.034 30.667 1.00 32.50 ? 908 MET A O 1 \nATOM 1660 C CB . MET A 1 216 ? 23.378 18.162 28.308 1.00 29.57 ? 908 MET A CB 1 \nATOM 1661 C CG . MET A 1 216 ? 22.499 17.227 27.502 1.00 31.43 ? 908 MET A CG 1 \nATOM 1662 S SD . MET A 1 216 ? 20.915 16.950 28.305 1.00 38.14 ? 908 MET A SD 1 \nATOM 1663 C CE . MET A 1 216 ? 19.955 16.171 26.994 1.00 35.57 ? 908 MET A CE 1 \nATOM 1664 N N . THR A 1 217 ? 24.529 21.266 28.926 1.00 34.84 ? 909 THR A N 1 \nATOM 1665 C CA . THR A 1 217 ? 25.422 22.110 29.715 1.00 31.46 ? 909 THR A CA 1 \nATOM 1666 C C . THR A 1 217 ? 24.758 23.462 29.973 1.00 35.43 ? 909 THR A C 1 \nATOM 1667 O O . THR A 1 217 ? 25.369 24.375 30.533 1.00 33.37 ? 909 THR A O 1 \nATOM 1668 C CB . THR A 1 217 ? 26.755 22.383 28.990 1.00 30.17 ? 909 THR A CB 1 \nATOM 1669 O OG1 . THR A 1 217 ? 26.503 23.074 27.759 1.00 32.39 ? 909 THR A OG1 1 \nATOM 1670 C CG2 . THR A 1 217 ? 27.548 21.085 28.733 1.00 34.41 ? 909 THR A CG2 1 \nATOM 1671 N N . PHE A 1 218 ? 23.507 23.580 29.542 1.00 32.72 ? 910 PHE A N 1 \nATOM 1672 C CA . PHE A 1 218 ? 22.753 24.834 29.661 1.00 39.49 ? 910 PHE A CA 1 \nATOM 1673 C C . PHE A 1 218 ? 23.452 25.975 28.916 1.00 37.32 ? 910 PHE A C 1 \nATOM 1674 O O . PHE A 1 218 ? 23.512 27.121 29.379 1.00 34.56 ? 910 PHE A O 1 \nATOM 1675 C CB . PHE A 1 218 ? 22.465 25.145 31.144 1.00 38.60 ? 910 PHE A CB 1 \nATOM 1676 C CG . PHE A 1 218 ? 21.737 24.031 31.852 1.00 35.82 ? 910 PHE A CG 1 \nATOM 1677 C CD1 . PHE A 1 218 ? 20.360 23.874 31.695 1.00 42.92 ? 910 PHE A CD1 1 \nATOM 1678 C CD2 . PHE A 1 218 ? 22.424 23.129 32.671 1.00 39.39 ? 910 PHE A CD2 1 \nATOM 1679 C CE1 . PHE A 1 218 ? 19.684 22.843 32.335 1.00 38.58 ? 910 PHE A CE1 1 \nATOM 1680 C CE2 . PHE A 1 218 ? 21.751 22.095 33.320 1.00 38.85 ? 910 PHE A CE2 1 \nATOM 1681 C CZ . PHE A 1 218 ? 20.377 21.960 33.156 1.00 39.25 ? 910 PHE A CZ 1 \nATOM 1682 N N . GLY A 1 219 ? 23.972 25.646 27.741 1.00 30.24 ? 911 GLY A N 1 \nATOM 1683 C CA . GLY A 1 219 ? 24.480 26.659 26.818 1.00 30.44 ? 911 GLY A CA 1 \nATOM 1684 C C . GLY A 1 219 ? 25.938 27.038 26.976 1.00 31.34 ? 911 GLY A C 1 \nATOM 1685 O O . GLY A 1 219 ? 26.322 28.160 26.631 1.00 31.20 ? 911 GLY A O 1 \nATOM 1686 N N . SER A 1 220 ? 26.761 26.109 27.461 1.00 34.43 ? 912 SER A N 1 \nATOM 1687 C CA . SER A 1 220 ? 28.216 26.310 27.408 1.00 32.44 ? 912 SER A CA 1 \nATOM 1688 C C . SER A 1 220 ? 28.744 26.398 25.977 1.00 30.35 ? 912 SER A C 1 \nATOM 1689 O O . SER A 1 220 ? 28.186 25.815 25.051 1.00 29.13 ? 912 SER A O 1 \nATOM 1690 C CB . SER A 1 220 ? 28.963 25.201 28.160 1.00 37.09 ? 912 SER A CB 1 \nATOM 1691 O OG . SER A 1 220 ? 28.615 25.224 29.524 1.00 37.39 ? 912 SER A OG 1 \nATOM 1692 N N . LYS A 1 221 ? 29.864 27.105 25.822 1.00 34.33 ? 913 LYS A N 1 \nATOM 1693 C CA . LYS A 1 221 ? 30.544 27.258 24.535 1.00 36.05 ? 913 LYS A CA 1 \nATOM 1694 C C . LYS A 1 221 ? 31.469 26.073 24.282 1.00 36.45 ? 913 LYS A C 1 \nATOM 1695 O O . LYS A 1 221 ? 32.367 25.819 25.085 1.00 32.75 ? 913 LYS A O 1 \nATOM 1696 C CB . LYS A 1 221 ? 31.374 28.541 24.538 1.00 37.89 ? 913 LYS A CB 1 \nATOM 1697 C CG . LYS A 1 221 ? 30.549 29.809 24.490 1.00 41.62 ? 913 LYS A CG 1 \nATOM 1698 C CD . LYS A 1 221 ? 31.439 31.046 24.591 1.00 54.77 ? 913 LYS A CD 1 \nATOM 1699 C CE . LYS A 1 221 ? 32.281 31.258 23.338 1.00 63.20 ? 913 LYS A CE 1 \nATOM 1700 N NZ . LYS A 1 221 ? 33.156 32.457 23.448 1.00 79.59 ? 913 LYS A NZ 1 \nATOM 1701 N N . PRO A 1 222 ? 31.254 25.337 23.175 1.00 34.16 ? 914 PRO A N 1 \nATOM 1702 C CA . PRO A 1 222 ? 32.058 24.118 22.968 1.00 29.10 ? 914 PRO A CA 1 \nATOM 1703 C C . PRO A 1 222 ? 33.536 24.481 22.719 1.00 34.77 ? 914 PRO A C 1 \nATOM 1704 O O . PRO A 1 222 ? 33.814 25.439 21.996 1.00 33.33 ? 914 PRO A O 1 \nATOM 1705 C CB . PRO A 1 222 ? 31.411 23.481 21.733 1.00 33.91 ? 914 PRO A CB 1 \nATOM 1706 C CG . PRO A 1 222 ? 30.778 24.614 21.005 1.00 34.78 ? 914 PRO A CG 1 \nATOM 1707 C CD . PRO A 1 222 ? 30.298 25.560 22.076 1.00 32.97 ? 914 PRO A CD 1 \nATOM 1708 N N . TYR A 1 223 ? 34.458 23.737 23.325 1.00 33.25 ? 915 TYR A N 1 \nATOM 1709 C CA . TYR A 1 223 ? 35.895 23.998 23.177 1.00 33.85 ? 915 TYR A CA 1 \nATOM 1710 C C . TYR A 1 223 ? 36.207 25.471 23.468 1.00 39.64 ? 915 TYR A C 1 \nATOM 1711 O O . TYR A 1 223 ? 36.948 26.117 22.718 1.00 45.53 ? 915 TYR A O 1 \nATOM 1712 C CB . TYR A 1 223 ? 36.364 23.665 21.764 1.00 33.52 ? 915 TYR A CB 1 \nATOM 1713 C CG . TYR A 1 223 ? 35.818 22.388 21.190 1.00 29.32 ? 915 TYR A CG 1 \nATOM 1714 C CD1 . TYR A 1 223 ? 36.385 21.162 21.511 1.00 32.58 ? 915 TYR A CD1 1 \nATOM 1715 C CD2 . TYR A 1 223 ? 34.742 22.417 20.307 1.00 36.08 ? 915 TYR A CD2 1 \nATOM 1716 C CE1 . TYR A 1 223 ? 35.888 19.981 20.977 1.00 33.76 ? 915 TYR A CE1 1 \nATOM 1717 C CE2 . TYR A 1 223 ? 34.231 21.250 19.767 1.00 31.31 ? 915 TYR A CE2 1 \nATOM 1718 C CZ . TYR A 1 223 ? 34.802 20.038 20.107 1.00 30.34 ? 915 TYR A CZ 1 \nATOM 1719 O OH . TYR A 1 223 ? 34.315 18.876 19.539 1.00 36.05 ? 915 TYR A OH 1 \nATOM 1720 N N . ASP A 1 224 ? 35.618 25.991 24.543 1.00 43.33 ? 916 ASP A N 1 \nATOM 1721 C CA . ASP A 1 224 ? 35.768 27.396 24.940 1.00 48.23 ? 916 ASP A CA 1 \nATOM 1722 C C . ASP A 1 224 ? 37.254 27.719 25.124 1.00 48.30 ? 916 ASP A C 1 \nATOM 1723 O O . ASP A 1 224 ? 37.983 26.961 25.774 1.00 46.71 ? 916 ASP A O 1 \nATOM 1724 C CB . ASP A 1 224 ? 34.988 27.650 26.242 1.00 52.14 ? 916 ASP A CB 1 \nATOM 1725 C CG . ASP A 1 224 ? 34.922 29.136 26.628 1.00 54.58 ? 916 ASP A CG 1 \nATOM 1726 O OD1 . ASP A 1 224 ? 34.708 29.421 27.821 1.00 60.52 ? 916 ASP A OD1 1 \nATOM 1727 O OD2 . ASP A 1 224 ? 35.064 30.008 25.751 1.00 47.27 ? 916 ASP A OD2 1 \nATOM 1728 N N . GLY A 1 225 ? 37.697 28.813 24.511 1.00 56.46 ? 917 GLY A N 1 \nATOM 1729 C CA . GLY A 1 225 ? 39.085 29.258 24.635 1.00 76.19 ? 917 GLY A CA 1 \nATOM 1730 C C . GLY A 1 225 ? 40.035 28.671 23.604 1.00 72.63 ? 917 GLY A C 1 \nATOM 1731 O O . GLY A 1 225 ? 41.021 29.316 23.238 1.00 63.76 ? 917 GLY A O 1 \nATOM 1732 N N . ILE A 1 226 ? 39.738 27.452 23.143 1.00 63.90 ? 918 ILE A N 1 \nATOM 1733 C CA . ILE A 1 226 ? 40.529 26.764 22.114 1.00 49.40 ? 918 ILE A CA 1 \nATOM 1734 C C . ILE A 1 226 ? 40.345 27.411 20.732 1.00 55.67 ? 918 ILE A C 1 \nATOM 1735 O O . ILE A 1 226 ? 39.215 27.569 20.259 1.00 53.67 ? 918 ILE A O 1 \nATOM 1736 C CB . ILE A 1 226 ? 40.247 25.246 22.089 1.00 58.39 ? 918 ILE A CB 1 \nATOM 1737 C CG1 . ILE A 1 226 ? 40.788 24.592 23.362 1.00 67.71 ? 918 ILE A CG1 1 \nATOM 1738 C CG2 . ILE A 1 226 ? 40.855 24.585 20.856 1.00 49.74 ? 918 ILE A CG2 1 \nATOM 1739 C CD1 . ILE A 1 226 ? 40.277 23.185 23.600 1.00 83.95 ? 918 ILE A CD1 1 \nATOM 1740 N N . PRO A 1 227 ? 41.465 27.809 20.091 1.00 55.34 ? 919 PRO A N 1 \nATOM 1741 C CA . PRO A 1 227 ? 41.367 28.478 18.797 1.00 51.65 ? 919 PRO A CA 1 \nATOM 1742 C C . PRO A 1 227 ? 40.839 27.524 17.737 1.00 46.00 ? 919 PRO A C 1 \nATOM 1743 O O . PRO A 1 227 ? 41.228 26.335 17.700 1.00 36.86 ? 919 PRO A O 1 \nATOM 1744 C CB . PRO A 1 227 ? 42.817 28.854 18.466 1.00 48.91 ? 919 PRO A CB 1 \nATOM 1745 C CG . PRO A 1 227 ? 43.602 28.650 19.726 1.00 59.54 ? 919 PRO A CG 1 \nATOM 1746 C CD . PRO A 1 227 ? 42.867 27.590 20.494 1.00 61.20 ? 919 PRO A CD 1 \nATOM 1747 N N . ALA A 1 228 ? 39.982 28.055 16.877 1.00 42.96 ? 920 ALA A N 1 \nATOM 1748 C CA . ALA A 1 228 ? 39.380 27.267 15.795 1.00 53.07 ? 920 ALA A CA 1 \nATOM 1749 C C . ALA A 1 228 ? 40.428 26.554 14.926 1.00 52.49 ? 920 ALA A C 1 \nATOM 1750 O O . ALA A 1 228 ? 40.200 25.430 14.477 1.00 39.45 ? 920 ALA A O 1 \nATOM 1751 C CB . ALA A 1 228 ? 38.482 28.136 14.939 1.00 41.74 ? 920 ALA A CB 1 \nATOM 1752 N N . SER A 1 229 ? 41.578 27.191 14.706 1.00 42.14 ? 921 SER A N 1 \nATOM 1753 C CA . SER A 1 229 ? 42.638 26.564 13.918 1.00 38.91 ? 921 SER A CA 1 \nATOM 1754 C C . SER A 1 229 ? 43.218 25.280 14.535 1.00 41.47 ? 921 SER A C 1 \nATOM 1755 O O . SER A 1 229 ? 43.852 24.491 13.834 1.00 45.17 ? 921 SER A O 1 \nATOM 1756 C CB . SER A 1 229 ? 43.758 27.580 13.611 1.00 43.76 ? 921 SER A CB 1 \nATOM 1757 O OG . SER A 1 229 ? 44.498 27.894 14.783 1.00 45.49 ? 921 SER A OG 1 \nATOM 1758 N N . GLU A 1 230 ? 42.994 25.066 15.832 1.00 38.81 ? 922 GLU A N 1 \nATOM 1759 C CA . GLU A 1 230 ? 43.508 23.877 16.524 1.00 37.90 ? 922 GLU A CA 1 \nATOM 1760 C C . GLU A 1 230 ? 42.483 22.741 16.610 1.00 32.89 ? 922 GLU A C 1 \nATOM 1761 O O . GLU A 1 230 ? 42.824 21.636 17.051 1.00 37.01 ? 922 GLU A O 1 \nATOM 1762 C CB . GLU A 1 230 ? 43.996 24.218 17.938 1.00 43.95 ? 922 GLU A CB 1 \nATOM 1763 C CG . GLU A 1 230 ? 45.241 25.107 17.988 1.00 58.60 ? 922 GLU A CG 1 \nATOM 1764 C CD . GLU A 1 230 ? 46.562 24.340 17.959 1.00 74.68 ? 922 GLU A CD 1 \nATOM 1765 O OE1 . GLU A 1 230 ? 47.536 24.836 18.567 1.00 92.16 ? 922 GLU A OE1 1 \nATOM 1766 O OE2 . GLU A 1 230 ? 46.653 23.253 17.338 1.00 65.14 ? 922 GLU A OE2 1 \nATOM 1767 N N . ILE A 1 231 ? 41.253 22.998 16.186 1.00 36.85 ? 923 ILE A N 1 \nATOM 1768 C CA . ILE A 1 231 ? 40.183 21.993 16.380 1.00 30.58 ? 923 ILE A CA 1 \nATOM 1769 C C . ILE A 1 231 ? 40.420 20.666 15.649 1.00 27.72 ? 923 ILE A C 1 \nATOM 1770 O O . ILE A 1 231 ? 40.283 19.600 16.258 1.00 32.41 ? 923 ILE A O 1 \nATOM 1771 C CB . ILE A 1 231 ? 38.766 22.575 16.099 1.00 36.31 ? 923 ILE A CB 1 \nATOM 1772 C CG1 . ILE A 1 231 ? 38.369 23.629 17.159 1.00 35.07 ? 923 ILE A CG1 1 \nATOM 1773 C CG2 . ILE A 1 231 ? 37.725 21.455 16.020 1.00 31.73 ? 923 ILE A CG2 1 \nATOM 1774 C CD1 . ILE A 1 231 ? 38.250 23.123 18.592 1.00 32.22 ? 923 ILE A CD1 1 \nATOM 1775 N N . SER A 1 232 ? 40.756 20.704 14.355 1.00 28.13 ? 924 SER A N 1 \nATOM 1776 C CA . SER A 1 232 ? 41.002 19.463 13.633 1.00 35.63 ? 924 SER A CA 1 \nATOM 1777 C C . SER A 1 232 ? 42.110 18.610 14.291 1.00 34.96 ? 924 SER A C 1 \nATOM 1778 O O . SER A 1 232 ? 41.992 17.378 14.352 1.00 29.18 ? 924 SER A O 1 \nATOM 1779 C CB . SER A 1 232 ? 41.305 19.725 12.150 1.00 39.13 ? 924 SER A CB 1 \nATOM 1780 O OG . SER A 1 232 ? 42.613 20.267 11.983 1.00 41.55 ? 924 SER A OG 1 \nATOM 1781 N N . SER A 1 233 ? 43.194 19.226 14.792 1.00 38.53 ? 925 SER A N 1 \nATOM 1782 C CA . SER A 1 233 ? 44.236 18.385 15.393 1.00 37.45 ? 925 SER A CA 1 \nATOM 1783 C C . SER A 1 233 ? 43.771 17.767 16.716 1.00 35.21 ? 925 SER A C 1 \nATOM 1784 O O . SER A 1 233 ? 44.032 16.602 16.994 1.00 33.66 ? 925 SER A O 1 \nATOM 1785 C CB . SER A 1 233 ? 45.579 19.125 15.558 1.00 47.26 ? 925 SER A CB 1 \nATOM 1786 O OG . SER A 1 233 ? 45.435 20.233 16.416 1.00 54.50 ? 925 SER A OG 1 \nATOM 1787 N N . ILE A 1 234 ? 43.029 18.547 17.497 1.00 35.17 ? 926 ILE A N 1 \nATOM 1788 C CA . ILE A 1 234 ? 42.404 18.065 18.728 1.00 40.33 ? 926 ILE A CA 1 \nATOM 1789 C C . ILE A 1 234 ? 41.474 16.855 18.453 1.00 34.53 ? 926 ILE A C 1 \nATOM 1790 O O . ILE A 1 234 ? 41.637 15.787 19.056 1.00 32.95 ? 926 ILE A O 1 \nATOM 1791 C CB . ILE A 1 234 ? 41.718 19.262 19.443 1.00 44.79 ? 926 ILE A CB 1 \nATOM 1792 C CG1 . ILE A 1 234 ? 42.727 19.924 20.400 1.00 48.92 ? 926 ILE A CG1 1 \nATOM 1793 C CG2 . ILE A 1 234 ? 40.399 18.888 20.114 1.00 51.95 ? 926 ILE A CG2 1 \nATOM 1794 C CD1 . ILE A 1 234 ? 42.280 21.255 20.973 1.00 61.81 ? 926 ILE A CD1 1 \nATOM 1795 N N . LEU A 1 235 ? 40.532 17.007 17.520 1.00 37.12 ? 927 LEU A N 1 \nATOM 1796 C CA . LEU A 1 235 ? 39.655 15.893 17.106 1.00 32.43 ? 927 LEU A CA 1 \nATOM 1797 C C . LEU A 1 235 ? 40.412 14.654 16.605 1.00 30.80 ? 927 LEU A C 1 \nATOM 1798 O O . LEU A 1 235 ? 40.043 13.515 16.922 1.00 31.95 ? 927 LEU A O 1 \nATOM 1799 C CB . LEU A 1 235 ? 38.673 16.349 16.012 1.00 30.99 ? 927 LEU A CB 1 \nATOM 1800 C CG . LEU A 1 235 ? 37.709 17.440 16.463 1.00 32.53 ? 927 LEU A CG 1 \nATOM 1801 C CD1 . LEU A 1 235 ? 36.815 17.889 15.312 1.00 33.89 ? 927 LEU A CD1 1 \nATOM 1802 C CD2 . LEU A 1 235 ? 36.891 16.918 17.625 1.00 30.69 ? 927 LEU A CD2 1 \nATOM 1803 N N . GLU A 1 236 ? 41.450 14.888 15.810 1.00 37.01 ? 928 GLU A N 1 \nATOM 1804 C CA . GLU A 1 236 ? 42.284 13.804 15.268 1.00 39.13 ? 928 GLU A CA 1 \nATOM 1805 C C . GLU A 1 236 ? 43.002 13.019 16.360 1.00 41.39 ? 928 GLU A C 1 \nATOM 1806 O O . GLU A 1 236 ? 43.225 11.816 16.209 1.00 38.80 ? 928 GLU A O 1 \nATOM 1807 C CB . GLU A 1 236 ? 43.307 14.339 14.255 1.00 40.49 ? 928 GLU A CB 1 \nATOM 1808 C CG . GLU A 1 236 ? 42.754 14.636 12.870 1.00 44.84 ? 928 GLU A CG 1 \nATOM 1809 C CD . GLU A 1 236 ? 43.660 15.532 12.036 1.00 69.64 ? 928 GLU A CD 1 \nATOM 1810 O OE1 . GLU A 1 236 ? 43.599 15.442 10.790 1.00 74.90 ? 928 GLU A OE1 1 \nATOM 1811 O OE2 . GLU A 1 236 ? 44.432 16.332 12.616 1.00 62.95 ? 928 GLU A OE2 1 \nATOM 1812 N N . LYS A 1 237 ? 43.370 13.694 17.448 1.00 40.90 ? 929 LYS A N 1 \nATOM 1813 C CA . LYS A 1 237 ? 44.002 13.020 18.591 1.00 41.80 ? 929 LYS A CA 1 \nATOM 1814 C C . LYS A 1 237 ? 43.006 12.231 19.453 1.00 46.80 ? 929 LYS A C 1 \nATOM 1815 O O . LYS A 1 237 ? 43.398 11.536 20.394 1.00 44.25 ? 929 LYS A O 1 \nATOM 1816 C CB . LYS A 1 237 ? 44.758 14.025 19.459 1.00 50.08 ? 929 LYS A CB 1 \nATOM 1817 C CG . LYS A 1 237 ? 45.966 14.663 18.770 1.00 40.31 ? 929 LYS A CG 1 \nATOM 1818 C CD . LYS A 1 237 ? 46.644 15.696 19.666 1.00 67.33 ? 929 LYS A CD 1 \nATOM 1819 C CE . LYS A 1 237 ? 47.436 15.043 20.796 1.00 79.96 ? 929 LYS A CE 1 \nATOM 1820 N NZ . LYS A 1 237 ? 48.135 16.035 21.664 1.00 77.70 ? 929 LYS A NZ 1 \nATOM 1821 N N . GLY A 1 238 ? 41.721 12.345 19.125 1.00 37.47 ? 930 GLY A N 1 \nATOM 1822 C CA . GLY A 1 238 ? 40.652 11.633 19.840 1.00 39.43 ? 930 GLY A CA 1 \nATOM 1823 C C . GLY A 1 238 ? 39.970 12.436 20.930 1.00 38.99 ? 930 GLY A C 1 \nATOM 1824 O O . GLY A 1 238 ? 39.110 11.903 21.646 1.00 41.30 ? 930 GLY A O 1 \nATOM 1825 N N . GLU A 1 239 ? 40.330 13.714 21.069 1.00 32.16 ? 931 GLU A N 1 \nATOM 1826 C CA . GLU A 1 239 ? 39.759 14.534 22.132 1.00 32.85 ? 931 GLU A CA 1 \nATOM 1827 C C . GLU A 1 239 ? 38.329 14.954 21.745 1.00 28.27 ? 931 GLU A C 1 \nATOM 1828 O O . GLU A 1 239 ? 38.075 15.227 20.573 1.00 28.77 ? 931 GLU A O 1 \nATOM 1829 C CB . GLU A 1 239 ? 40.603 15.762 22.393 1.00 36.69 ? 931 GLU A CB 1 \nATOM 1830 C CG . GLU A 1 239 ? 40.082 16.662 23.503 1.00 49.53 ? 931 GLU A CG 1 \nATOM 1831 C CD . GLU A 1 239 ? 41.036 17.806 23.818 1.00 69.08 ? 931 GLU A CD 1 \nATOM 1832 O OE1 . GLU A 1 239 ? 42.249 17.685 23.508 1.00 53.32 ? 931 GLU A OE1 1 \nATOM 1833 O OE2 . GLU A 1 239 ? 40.568 18.828 24.374 1.00 53.97 ? 931 GLU A OE2 1 \nATOM 1834 N N . ARG A 1 240 ? 37.436 14.994 22.732 1.00 32.01 ? 932 ARG A N 1 \nATOM 1835 C CA . ARG A 1 240 ? 35.995 15.304 22.490 1.00 28.11 ? 932 ARG A CA 1 \nATOM 1836 C C . ARG A 1 240 ? 35.471 16.272 23.565 1.00 32.94 ? 932 ARG A C 1 \nATOM 1837 O O . ARG A 1 240 ? 36.145 16.500 24.574 1.00 32.49 ? 932 ARG A O 1 \nATOM 1838 C CB . ARG A 1 240 ? 35.184 14.002 22.501 1.00 26.86 ? 932 ARG A CB 1 \nATOM 1839 C CG . ARG A 1 240 ? 35.365 13.048 21.316 1.00 27.27 ? 932 ARG A CG 1 \nATOM 1840 C CD . ARG A 1 240 ? 35.153 13.715 19.958 1.00 27.89 ? 932 ARG A CD 1 \nATOM 1841 N NE . ARG A 1 240 ? 35.303 12.791 18.844 1.00 28.64 ? 932 ARG A NE 1 \nATOM 1842 C CZ . ARG A 1 240 ? 36.449 12.531 18.213 1.00 43.88 ? 932 ARG A CZ 1 \nATOM 1843 N NH1 . ARG A 1 240 ? 36.458 11.657 17.217 1.00 36.00 ? 932 ARG A NH1 1 \nATOM 1844 N NH2 . ARG A 1 240 ? 37.584 13.133 18.580 1.00 28.88 ? 932 ARG A NH2 1 \nATOM 1845 N N . LEU A 1 241 ? 34.284 16.855 23.361 1.00 28.49 ? 933 LEU A N 1 \nATOM 1846 C CA . LEU A 1 241 ? 33.643 17.646 24.416 1.00 26.44 ? 933 LEU A CA 1 \nATOM 1847 C C . LEU A 1 241 ? 33.400 16.752 25.622 1.00 27.19 ? 933 LEU A C 1 \nATOM 1848 O O . LEU A 1 241 ? 33.077 15.575 25.443 1.00 32.58 ? 933 LEU A O 1 \nATOM 1849 C CB . LEU A 1 241 ? 32.311 18.241 23.907 1.00 29.48 ? 933 LEU A CB 1 \nATOM 1850 C CG . LEU A 1 241 ? 32.510 19.274 22.790 1.00 28.80 ? 933 LEU A CG 1 \nATOM 1851 C CD1 . LEU A 1 241 ? 31.191 19.477 22.015 1.00 25.49 ? 933 LEU A CD1 1 \nATOM 1852 C CD2 . LEU A 1 241 ? 33.058 20.587 23.368 1.00 24.54 ? 933 LEU A CD2 1 \nATOM 1853 N N . PRO A 1 242 ? 33.563 17.290 26.848 1.00 29.32 ? 934 PRO A N 1 \nATOM 1854 C CA . PRO A 1 242 ? 33.465 16.519 28.091 1.00 31.42 ? 934 PRO A CA 1 \nATOM 1855 C C . PRO A 1 242 ? 32.034 16.165 28.451 1.00 31.97 ? 934 PRO A C 1 \nATOM 1856 O O . PRO A 1 242 ? 31.093 16.860 28.022 1.00 30.19 ? 934 PRO A O 1 \nATOM 1857 C CB . PRO A 1 242 ? 34.021 17.485 29.144 1.00 39.73 ? 934 PRO A CB 1 \nATOM 1858 C CG . PRO A 1 242 ? 33.717 18.844 28.599 1.00 38.13 ? 934 PRO A CG 1 \nATOM 1859 C CD . PRO A 1 242 ? 33.907 18.703 27.109 1.00 35.28 ? 934 PRO A CD 1 \nATOM 1860 N N . GLN A 1 243 ? 31.885 15.115 29.245 1.00 30.53 ? 935 GLN A N 1 \nATOM 1861 C CA . GLN A 1 243 ? 30.573 14.712 29.766 1.00 29.08 ? 935 GLN A CA 1 \nATOM 1862 C C . GLN A 1 243 ? 29.934 15.848 30.576 1.00 32.66 ? 935 GLN A C 1 \nATOM 1863 O O . GLN A 1 243 ? 30.528 16.340 31.528 1.00 36.94 ? 935 GLN A O 1 \nATOM 1864 C CB . GLN A 1 243 ? 30.703 13.453 30.638 1.00 32.68 ? 935 GLN A CB 1 \nATOM 1865 C CG . GLN A 1 243 ? 29.388 13.003 31.278 1.00 37.61 ? 935 GLN A CG 1 \nATOM 1866 C CD . GLN A 1 243 ? 29.522 11.707 32.068 1.00 41.28 ? 935 GLN A CD 1 \nATOM 1867 O OE1 . GLN A 1 243 ? 30.577 11.088 32.077 1.00 38.24 ? 935 GLN A OE1 1 \nATOM 1868 N NE2 . GLN A 1 243 ? 28.447 11.306 32.755 1.00 34.59 ? 935 GLN A NE2 1 \nATOM 1869 N N . PRO A 1 244 ? 28.713 16.273 30.190 1.00 36.45 ? 936 PRO A N 1 \nATOM 1870 C CA . PRO A 1 244 ? 28.008 17.267 31.005 1.00 39.54 ? 936 PRO A CA 1 \nATOM 1871 C C . PRO A 1 244 ? 27.664 16.677 32.377 1.00 36.69 ? 936 PRO A C 1 \nATOM 1872 O O . PRO A 1 244 ? 27.317 15.497 32.453 1.00 35.68 ? 936 PRO A O 1 \nATOM 1873 C CB . PRO A 1 244 ? 26.741 17.562 30.181 1.00 34.20 ? 936 PRO A CB 1 \nATOM 1874 C CG . PRO A 1 244 ? 27.131 17.223 28.774 1.00 32.85 ? 936 PRO A CG 1 \nATOM 1875 C CD . PRO A 1 244 ? 27.993 15.990 28.938 1.00 36.06 ? 936 PRO A CD 1 \nATOM 1876 N N . PRO A 1 245 ? 27.830 17.472 33.457 1.00 38.32 ? 937 PRO A N 1 \nATOM 1877 C CA . PRO A 1 245 ? 27.599 17.015 34.833 1.00 40.21 ? 937 PRO A CA 1 \nATOM 1878 C C . PRO A 1 245 ? 26.233 16.386 35.062 1.00 40.46 ? 937 PRO A C 1 \nATOM 1879 O O . PRO A 1 245 ? 26.126 15.433 35.842 1.00 37.59 ? 937 PRO A O 1 \nATOM 1880 C CB . PRO A 1 245 ? 27.741 18.296 35.655 1.00 46.41 ? 937 PRO A CB 1 \nATOM 1881 C CG . PRO A 1 245 ? 28.715 19.118 34.886 1.00 46.70 ? 937 PRO A CG 1 \nATOM 1882 C CD . PRO A 1 245 ? 28.506 18.788 33.426 1.00 39.47 ? 937 PRO A CD 1 \nATOM 1883 N N . ILE A 1 246 ? 25.204 16.876 34.374 1.00 34.10 ? 938 ILE A N 1 \nATOM 1884 C CA . ILE A 1 246 ? 23.855 16.329 34.558 1.00 37.91 ? 938 ILE A CA 1 \nATOM 1885 C C . ILE A 1 246 ? 23.631 14.986 33.839 1.00 37.49 ? 938 ILE A C 1 \nATOM 1886 O O . ILE A 1 246 ? 22.660 14.289 34.126 1.00 41.11 ? 938 ILE A O 1 \nATOM 1887 C CB . ILE A 1 246 ? 22.731 17.329 34.163 1.00 33.35 ? 938 ILE A CB 1 \nATOM 1888 C CG1 . ILE A 1 246 ? 22.714 17.586 32.640 1.00 35.59 ? 938 ILE A CG1 1 \nATOM 1889 C CG2 . ILE A 1 246 ? 22.828 18.633 34.966 1.00 36.27 ? 938 ILE A CG2 1 \nATOM 1890 C CD1 . ILE A 1 246 ? 21.420 18.224 32.136 1.00 34.32 ? 938 ILE A CD1 1 \nATOM 1891 N N . CYS A 1 247 ? 24.516 14.620 32.915 1.00 34.04 ? 939 CYS A N 1 \nATOM 1892 C CA . CYS A 1 247 ? 24.244 13.437 32.081 1.00 31.20 ? 939 CYS A CA 1 \nATOM 1893 C C . CYS A 1 247 ? 24.743 12.159 32.706 1.00 36.53 ? 939 CYS A C 1 \nATOM 1894 O O . CYS A 1 247 ? 25.908 12.071 33.106 1.00 31.88 ? 939 CYS A O 1 \nATOM 1895 C CB . CYS A 1 247 ? 24.905 13.551 30.709 1.00 32.11 ? 939 CYS A CB 1 \nATOM 1896 S SG . CYS A 1 247 ? 24.327 14.888 29.665 1.00 37.25 ? 939 CYS A SG 1 \nATOM 1897 N N . THR A 1 248 ? 23.891 11.141 32.747 1.00 32.45 ? 940 THR A N 1 \nATOM 1898 C CA . THR A 1 248 ? 24.426 9.802 32.980 1.00 35.97 ? 940 THR A CA 1 \nATOM 1899 C C . THR A 1 248 ? 25.287 9.401 31.793 1.00 34.97 ? 940 THR A C 1 \nATOM 1900 O O . THR A 1 248 ? 25.203 10.005 30.717 1.00 33.70 ? 940 THR A O 1 \nATOM 1901 C CB . THR A 1 248 ? 23.305 8.757 33.128 1.00 35.72 ? 940 THR A CB 1 \nATOM 1902 O OG1 . THR A 1 248 ? 22.500 8.763 31.945 1.00 39.68 ? 940 THR A OG1 1 \nATOM 1903 C CG2 . THR A 1 248 ? 22.449 9.071 34.363 1.00 40.81 ? 940 THR A CG2 1 \nATOM 1904 N N . ILE A 1 249 ? 26.085 8.351 31.966 1.00 33.98 ? 941 ILE A N 1 \nATOM 1905 C CA . ILE A 1 249 ? 26.923 7.835 30.883 1.00 36.66 ? 941 ILE A CA 1 \nATOM 1906 C C . ILE A 1 249 ? 26.138 7.370 29.646 1.00 29.75 ? 941 ILE A C 1 \nATOM 1907 O O . ILE A 1 249 ? 26.623 7.493 28.531 1.00 33.08 ? 941 ILE A O 1 \nATOM 1908 C CB . ILE A 1 249 ? 27.930 6.758 31.391 1.00 41.29 ? 941 ILE A CB 1 \nATOM 1909 C CG1 . ILE A 1 249 ? 29.080 6.560 30.399 1.00 41.07 ? 941 ILE A CG1 1 \nATOM 1910 C CG2 . ILE A 1 249 ? 27.233 5.445 31.720 1.00 36.91 ? 941 ILE A CG2 1 \nATOM 1911 C CD1 . ILE A 1 249 ? 30.126 7.650 30.441 1.00 44.87 ? 941 ILE A CD1 1 \nATOM 1912 N N . ASP A 1 250 ? 24.925 6.850 29.840 1.00 35.62 ? 942 ASP A N 1 \nATOM 1913 C CA . ASP A 1 250 ? 24.058 6.438 28.727 1.00 35.94 ? 942 ASP A CA 1 \nATOM 1914 C C . ASP A 1 250 ? 23.799 7.600 27.757 1.00 33.14 ? 942 ASP A C 1 \nATOM 1915 O O . ASP A 1 250 ? 23.804 7.423 26.529 1.00 31.94 ? 942 ASP A O 1 \nATOM 1916 C CB . ASP A 1 250 ? 22.716 5.941 29.274 1.00 34.61 ? 942 ASP A CB 1 \nATOM 1917 C CG . ASP A 1 250 ? 22.882 4.975 30.427 1.00 57.33 ? 942 ASP A CG 1 \nATOM 1918 O OD1 . ASP A 1 250 ? 22.854 3.759 30.156 1.00 55.48 ? 942 ASP A OD1 1 \nATOM 1919 O OD2 . ASP A 1 250 ? 23.075 5.431 31.589 1.00 61.31 ? 942 ASP A OD2 1 \nATOM 1920 N N . VAL A 1 251 ? 23.575 8.782 28.316 1.00 31.75 ? 943 VAL A N 1 \nATOM 1921 C CA . VAL A 1 251 ? 23.296 9.965 27.488 1.00 32.99 ? 943 VAL A CA 1 \nATOM 1922 C C . VAL A 1 251 ? 24.574 10.469 26.835 1.00 32.91 ? 943 VAL A C 1 \nATOM 1923 O O . VAL A 1 251 ? 24.594 10.757 25.638 1.00 30.24 ? 943 VAL A O 1 \nATOM 1924 C CB . VAL A 1 251 ? 22.603 11.095 28.278 1.00 38.37 ? 943 VAL A CB 1 \nATOM 1925 C CG1 . VAL A 1 251 ? 22.510 12.373 27.438 1.00 34.73 ? 943 VAL A CG1 1 \nATOM 1926 C CG2 . VAL A 1 251 ? 21.217 10.649 28.705 1.00 36.83 ? 943 VAL A CG2 1 \nATOM 1927 N N . TYR A 1 252 ? 25.647 10.557 27.612 1.00 32.14 ? 944 TYR A N 1 \nATOM 1928 C CA . TYR A 1 252 ? 26.927 10.980 27.042 1.00 31.45 ? 944 TYR A CA 1 \nATOM 1929 C C . TYR A 1 252 ? 27.404 10.020 25.942 1.00 29.66 ? 944 TYR A C 1 \nATOM 1930 O O . TYR A 1 252 ? 27.973 10.463 24.949 1.00 30.29 ? 944 TYR A O 1 \nATOM 1931 C CB . TYR A 1 252 ? 27.964 11.172 28.146 1.00 31.25 ? 944 TYR A CB 1 \nATOM 1932 C CG . TYR A 1 252 ? 29.292 11.716 27.677 1.00 33.16 ? 944 TYR A CG 1 \nATOM 1933 C CD1 . TYR A 1 252 ? 30.480 11.078 28.026 1.00 38.27 ? 944 TYR A CD1 1 \nATOM 1934 C CD2 . TYR A 1 252 ? 29.363 12.874 26.876 1.00 30.07 ? 944 TYR A CD2 1 \nATOM 1935 C CE1 . TYR A 1 252 ? 31.701 11.576 27.611 1.00 34.59 ? 944 TYR A CE1 1 \nATOM 1936 C CE2 . TYR A 1 252 ? 30.586 13.381 26.456 1.00 30.25 ? 944 TYR A CE2 1 \nATOM 1937 C CZ . TYR A 1 252 ? 31.740 12.734 26.829 1.00 33.30 ? 944 TYR A CZ 1 \nATOM 1938 O OH . TYR A 1 252 ? 32.946 13.214 26.403 1.00 32.21 ? 944 TYR A OH 1 \nATOM 1939 N N . MET A 1 253 ? 27.179 8.710 26.113 1.00 28.39 ? 945 MET A N 1 \nATOM 1940 C CA . MET A 1 253 ? 27.573 7.751 25.079 1.00 31.97 ? 945 MET A CA 1 \nATOM 1941 C C . MET A 1 253 ? 26.931 8.061 23.738 1.00 36.65 ? 945 MET A C 1 \nATOM 1942 O O . MET A 1 253 ? 27.522 7.845 22.690 1.00 28.47 ? 945 MET A O 1 \nATOM 1943 C CB . MET A 1 253 ? 27.202 6.316 25.454 1.00 38.25 ? 945 MET A CB 1 \nATOM 1944 C CG . MET A 1 253 ? 28.192 5.594 26.346 1.00 55.75 ? 945 MET A CG 1 \nATOM 1945 S SD . MET A 1 253 ? 29.792 5.350 25.555 1.00 67.50 ? 945 MET A SD 1 \nATOM 1946 C CE . MET A 1 253 ? 30.653 6.763 26.204 1.00 33.80 ? 945 MET A CE 1 \nATOM 1947 N N . ILE A 1 254 ? 25.689 8.529 23.763 1.00 30.37 ? 946 ILE A N 1 \nATOM 1948 C CA . ILE A 1 254 ? 25.062 8.912 22.527 1.00 31.60 ? 946 ILE A CA 1 \nATOM 1949 C C . ILE A 1 254 ? 25.826 10.040 21.849 1.00 24.60 ? 946 ILE A C 1 \nATOM 1950 O O . ILE A 1 254 ? 26.081 9.958 20.654 1.00 26.88 ? 946 ILE A O 1 \nATOM 1951 C CB . ILE A 1 254 ? 23.604 9.359 22.747 1.00 34.97 ? 946 ILE A CB 1 \nATOM 1952 C CG1 . ILE A 1 254 ? 22.796 8.227 23.371 1.00 41.69 ? 946 ILE A CG1 1 \nATOM 1953 C CG2 . ILE A 1 254 ? 22.984 9.808 21.430 1.00 36.80 ? 946 ILE A CG2 1 \nATOM 1954 C CD1 . ILE A 1 254 ? 21.374 8.639 23.700 1.00 41.79 ? 946 ILE A CD1 1 \nATOM 1955 N N . MET A 1 255 ? 26.132 11.097 22.606 1.00 24.86 ? 947 MET A N 1 \nATOM 1956 C CA . MET A 1 255 ? 26.870 12.239 22.100 1.00 30.27 ? 947 MET A CA 1 \nATOM 1957 C C . MET A 1 255 ? 28.209 11.750 21.532 1.00 28.44 ? 947 MET A C 1 \nATOM 1958 O O . MET A 1 255 ? 28.639 12.157 20.443 1.00 29.20 ? 947 MET A O 1 \nATOM 1959 C CB . MET A 1 255 ? 27.147 13.237 23.233 1.00 31.12 ? 947 MET A CB 1 \nATOM 1960 C CG . MET A 1 255 ? 26.092 14.323 23.437 1.00 37.09 ? 947 MET A CG 1 \nATOM 1961 S SD . MET A 1 255 ? 26.416 15.215 24.976 1.00 41.55 ? 947 MET A SD 1 \nATOM 1962 C CE . MET A 1 255 ? 25.321 14.328 26.057 1.00 38.59 ? 947 MET A CE 1 \nATOM 1963 N N . VAL A 1 256 ? 28.856 10.867 22.284 1.00 27.85 ? 948 VAL A N 1 \nATOM 1964 C CA . VAL A 1 256 ? 30.157 10.315 21.867 1.00 28.13 ? 948 VAL A CA 1 \nATOM 1965 C C . VAL A 1 256 ? 30.089 9.557 20.548 1.00 25.79 ? 948 VAL A C 1 \nATOM 1966 O O . VAL A 1 256 ? 30.941 9.740 19.686 1.00 26.90 ? 948 VAL A O 1 \nATOM 1967 C CB . VAL A 1 256 ? 30.817 9.463 22.997 1.00 35.26 ? 948 VAL A CB 1 \nATOM 1968 C CG1 . VAL A 1 256 ? 32.037 8.701 22.473 1.00 32.02 ? 948 VAL A CG1 1 \nATOM 1969 C CG2 . VAL A 1 256 ? 31.236 10.376 24.148 1.00 32.56 ? 948 VAL A CG2 1 \nATOM 1970 N N . LYS A 1 257 ? 29.031 8.755 20.361 1.00 27.83 ? 949 LYS A N 1 \nATOM 1971 C CA . LYS A 1 257 ? 28.774 8.081 19.101 1.00 27.08 ? 949 LYS A CA 1 \nATOM 1972 C C . LYS A 1 257 ? 28.585 9.047 17.933 1.00 25.07 ? 949 LYS A C 1 \nATOM 1973 O O . LYS A 1 257 ? 29.025 8.744 16.823 1.00 24.22 ? 949 LYS A O 1 \nATOM 1974 C CB . LYS A 1 257 ? 27.539 7.151 19.198 1.00 30.67 ? 949 LYS A CB 1 \nATOM 1975 C CG . LYS A 1 257 ? 27.699 5.954 20.116 1.00 50.64 ? 949 LYS A CG 1 \nATOM 1976 C CD . LYS A 1 257 ? 26.468 5.062 20.040 1.00 51.67 ? 949 LYS A CD 1 \nATOM 1977 C CE . LYS A 1 257 ? 26.423 4.044 21.167 1.00 82.77 ? 949 LYS A CE 1 \nATOM 1978 N NZ . LYS A 1 257 ? 25.147 3.272 21.132 1.00 91.62 ? 949 LYS A NZ 1 \nATOM 1979 N N . CYS A 1 258 ? 27.916 10.191 18.177 1.00 25.41 ? 950 CYS A N 1 \nATOM 1980 C CA . CYS A 1 258 ? 27.705 11.180 17.129 1.00 19.95 ? 950 CYS A CA 1 \nATOM 1981 C C . CYS A 1 258 ? 29.041 11.770 16.638 1.00 23.74 ? 950 CYS A C 1 \nATOM 1982 O O . CYS A 1 258 ? 29.101 12.339 15.565 1.00 25.93 ? 950 CYS A O 1 \nATOM 1983 C CB . CYS A 1 258 ? 26.879 12.333 17.670 1.00 19.18 ? 950 CYS A CB 1 \nATOM 1984 S SG . CYS A 1 258 ? 25.132 11.865 17.902 1.00 27.36 ? 950 CYS A SG 1 \nATOM 1985 N N . TRP A 1 259 ? 30.088 11.654 17.440 1.00 26.52 ? 951 TRP A N 1 \nATOM 1986 C CA . TRP A 1 259 ? 31.397 12.217 17.056 1.00 25.40 ? 951 TRP A CA 1 \nATOM 1987 C C . TRP A 1 259 ? 32.490 11.223 16.667 1.00 26.10 ? 951 TRP A C 1 \nATOM 1988 O O . TRP A 1 259 ? 33.711 11.543 16.678 1.00 28.21 ? 951 TRP A O 1 \nATOM 1989 C CB . TRP A 1 259 ? 31.924 13.148 18.145 1.00 29.36 ? 951 TRP A CB 1 \nATOM 1990 C CG . TRP A 1 259 ? 30.945 14.182 18.676 1.00 26.70 ? 951 TRP A CG 1 \nATOM 1991 C CD1 . TRP A 1 259 ? 30.089 14.983 17.956 1.00 24.99 ? 951 TRP A CD1 1 \nATOM 1992 C CD2 . TRP A 1 259 ? 30.788 14.550 20.045 1.00 27.29 ? 951 TRP A CD2 1 \nATOM 1993 N NE1 . TRP A 1 259 ? 29.440 15.834 18.802 1.00 24.81 ? 951 TRP A NE1 1 \nATOM 1994 C CE2 . TRP A 1 259 ? 29.813 15.567 20.092 1.00 28.56 ? 951 TRP A CE2 1 \nATOM 1995 C CE3 . TRP A 1 259 ? 31.365 14.099 21.250 1.00 21.85 ? 951 TRP A CE3 1 \nATOM 1996 C CZ2 . TRP A 1 259 ? 29.396 16.145 21.294 1.00 29.28 ? 951 TRP A CZ2 1 \nATOM 1997 C CZ3 . TRP A 1 259 ? 30.964 14.656 22.427 1.00 26.79 ? 951 TRP A CZ3 1 \nATOM 1998 C CH2 . TRP A 1 259 ? 29.962 15.679 22.449 1.00 25.12 ? 951 TRP A CH2 1 \nATOM 1999 N N . MET A 1 260 ? 32.068 10.028 16.295 1.00 28.04 ? 952 MET A N 1 \nATOM 2000 C CA . MET A 1 260 ? 32.971 9.031 15.724 1.00 31.49 ? 952 MET A CA 1 \nATOM 2001 C C . MET A 1 260 ? 33.558 9.485 14.406 1.00 31.35 ? 952 MET A C 1 \nATOM 2002 O O . MET A 1 260 ? 32.898 10.092 13.574 1.00 22.79 ? 952 MET A O 1 \nATOM 2003 C CB . MET A 1 260 ? 32.235 7.699 15.549 1.00 29.84 ? 952 MET A CB 1 \nATOM 2004 C CG . MET A 1 260 ? 31.955 7.055 16.881 1.00 35.69 ? 952 MET A CG 1 \nATOM 2005 S SD . MET A 1 260 ? 31.264 5.418 16.645 1.00 50.21 ? 952 MET A SD 1 \nATOM 2006 C CE . MET A 1 260 ? 29.532 5.748 16.482 1.00 49.56 ? 952 MET A CE 1 \nATOM 2007 N N . ILE A 1 261 ? 34.849 9.215 14.207 1.00 26.28 ? 953 ILE A N 1 \nATOM 2008 C CA . ILE A 1 261 ? 35.477 9.572 12.945 1.00 26.84 ? 953 ILE A CA 1 \nATOM 2009 C C . ILE A 1 261 ? 34.795 8.949 11.721 1.00 26.04 ? 953 ILE A C 1 \nATOM 2010 O O . ILE A 1 261 ? 34.618 9.606 10.661 1.00 27.41 ? 953 ILE A O 1 \nATOM 2011 C CB . ILE A 1 261 ? 37.008 9.189 13.002 1.00 27.73 ? 953 ILE A CB 1 \nATOM 2012 C CG1 . ILE A 1 261 ? 37.730 10.036 14.057 1.00 41.78 ? 953 ILE A CG1 1 \nATOM 2013 C CG2 . ILE A 1 261 ? 37.658 9.347 11.637 1.00 34.33 ? 953 ILE A CG2 1 \nATOM 2014 C CD1 . ILE A 1 261 ? 37.358 11.509 14.059 1.00 44.58 ? 953 ILE A CD1 1 \nATOM 2015 N N . ASP A 1 262 ? 34.376 7.696 11.878 1.00 29.16 ? 954 ASP A N 1 \nATOM 2016 C CA . ASP A 1 262 ? 33.643 6.975 10.837 1.00 25.74 ? 954 ASP A CA 1 \nATOM 2017 C C . ASP A 1 262 ? 32.196 7.450 10.801 1.00 28.20 ? 954 ASP A C 1 \nATOM 2018 O O . ASP A 1 262 ? 31.405 7.040 11.644 1.00 28.96 ? 954 ASP A O 1 \nATOM 2019 C CB . ASP A 1 262 ? 33.681 5.473 11.100 1.00 29.26 ? 954 ASP A CB 1 \nATOM 2020 C CG . ASP A 1 262 ? 32.932 4.663 10.055 1.00 44.06 ? 954 ASP A CG 1 \nATOM 2021 O OD1 . ASP A 1 262 ? 32.812 3.447 10.275 1.00 41.62 ? 954 ASP A OD1 1 \nATOM 2022 O OD2 . ASP A 1 262 ? 32.448 5.217 9.035 1.00 48.86 ? 954 ASP A OD2 1 \nATOM 2023 N N . ALA A 1 263 ? 31.874 8.302 9.828 1.00 23.94 ? 955 ALA A N 1 \nATOM 2024 C CA . ALA A 1 263 ? 30.497 8.895 9.752 1.00 27.43 ? 955 ALA A CA 1 \nATOM 2025 C C . ALA A 1 263 ? 29.398 7.840 9.609 1.00 26.35 ? 955 ALA A C 1 \nATOM 2026 O O . ALA A 1 263 ? 28.243 8.053 10.075 1.00 28.83 ? 955 ALA A O 1 \nATOM 2027 C CB . ALA A 1 263 ? 30.425 9.862 8.584 1.00 28.45 ? 955 ALA A CB 1 \nATOM 2028 N N . ASP A 1 264 ? 29.709 6.752 8.874 1.00 26.69 ? 956 ASP A N 1 \nATOM 2029 C CA . ASP A 1 264 ? 28.798 5.640 8.673 1.00 35.35 ? 956 ASP A CA 1 \nATOM 2030 C C . ASP A 1 264 ? 28.457 4.912 9.979 1.00 40.99 ? 956 ASP A C 1 \nATOM 2031 O O . ASP A 1 264 ? 27.404 4.282 10.089 1.00 37.36 ? 956 ASP A O 1 \nATOM 2032 C CB . ASP A 1 264 ? 29.334 4.636 7.633 1.00 32.05 ? 956 ASP A CB 1 \nATOM 2033 C CG . ASP A 1 264 ? 29.294 5.172 6.206 1.00 36.02 ? 956 ASP A CG 1 \nATOM 2034 O OD1 . ASP A 1 264 ? 28.299 5.828 5.811 1.00 35.49 ? 956 ASP A OD1 1 \nATOM 2035 O OD2 . ASP A 1 264 ? 30.257 4.924 5.444 1.00 34.40 ? 956 ASP A OD2 1 \nATOM 2036 N N . SER A 1 265 ? 29.350 4.987 10.957 1.00 27.19 ? 957 SER A N 1 \nATOM 2037 C CA . SER A 1 265 ? 29.096 4.376 12.282 1.00 33.80 ? 957 SER A CA 1 \nATOM 2038 C C . SER A 1 265 ? 28.258 5.210 13.267 1.00 30.15 ? 957 SER A C 1 \nATOM 2039 O O . SER A 1 265 ? 27.822 4.689 14.294 1.00 29.39 ? 957 SER A O 1 \nATOM 2040 C CB . SER A 1 265 ? 30.420 3.971 12.943 1.00 38.98 ? 957 SER A CB 1 \nATOM 2041 O OG . SER A 1 265 ? 30.965 2.841 12.272 1.00 49.31 ? 957 SER A OG 1 \nATOM 2042 N N . ARG A 1 266 ? 28.104 6.507 12.989 1.00 24.60 ? 958 ARG A N 1 \nATOM 2043 C CA . ARG A 1 266 ? 27.427 7.421 13.874 1.00 22.34 ? 958 ARG A CA 1 \nATOM 2044 C C . ARG A 1 266 ? 25.958 6.978 13.823 1.00 26.19 ? 958 ARG A C 1 \nATOM 2045 O O . ARG A 1 266 ? 25.567 6.399 12.818 1.00 29.89 ? 958 ARG A O 1 \nATOM 2046 C CB . ARG A 1 266 ? 27.487 8.840 13.320 1.00 22.29 ? 958 ARG A CB 1 \nATOM 2047 C CG . ARG A 1 266 ? 28.877 9.471 13.416 1.00 26.42 ? 958 ARG A CG 1 \nATOM 2048 C CD . ARG A 1 266 ? 28.968 10.829 12.731 1.00 21.30 ? 958 ARG A CD 1 \nATOM 2049 N NE . ARG A 1 266 ? 30.421 11.064 12.508 1.00 23.89 ? 958 ARG A NE 1 \nATOM 2050 C CZ . ARG A 1 266 ? 30.895 11.848 11.556 1.00 24.19 ? 958 ARG A CZ 1 \nATOM 2051 N NH1 . ARG A 1 266 ? 32.214 11.950 11.405 1.00 25.65 ? 958 ARG A NH1 1 \nATOM 2052 N NH2 . ARG A 1 266 ? 30.062 12.523 10.754 1.00 24.53 ? 958 ARG A NH2 1 \nATOM 2053 N N . PRO A 1 267 ? 25.180 7.292 14.873 1.00 25.41 ? 959 PRO A N 1 \nATOM 2054 C CA . PRO A 1 267 ? 23.727 6.979 14.901 1.00 29.19 ? 959 PRO A CA 1 \nATOM 2055 C C . PRO A 1 267 ? 23.027 7.670 13.743 1.00 29.90 ? 959 PRO A C 1 \nATOM 2056 O O . PRO A 1 267 ? 23.515 8.685 13.220 1.00 29.85 ? 959 PRO A O 1 \nATOM 2057 C CB . PRO A 1 267 ? 23.253 7.611 16.218 1.00 27.16 ? 959 PRO A CB 1 \nATOM 2058 C CG . PRO A 1 267 ? 24.496 7.779 17.044 1.00 33.36 ? 959 PRO A CG 1 \nATOM 2059 C CD . PRO A 1 267 ? 25.558 8.113 16.031 1.00 25.57 ? 959 PRO A CD 1 \nATOM 2060 N N . LYS A 1 268 ? 21.865 7.156 13.352 1.00 29.28 ? 960 LYS A N 1 \nATOM 2061 C CA . LYS A 1 268 ? 21.033 7.865 12.390 1.00 30.63 ? 960 LYS A CA 1 \nATOM 2062 C C . LYS A 1 268 ? 19.933 8.641 13.110 1.00 31.70 ? 960 LYS A C 1 \nATOM 2063 O O . LYS A 1 268 ? 19.543 8.314 14.221 1.00 28.52 ? 960 LYS A O 1 \nATOM 2064 C CB . LYS A 1 268 ? 20.365 6.870 11.429 1.00 32.29 ? 960 LYS A CB 1 \nATOM 2065 C CG . LYS A 1 268 ? 21.313 5.899 10.741 1.00 36.44 ? 960 LYS A CG 1 \nATOM 2066 C CD . LYS A 1 268 ? 22.209 6.612 9.746 1.00 37.47 ? 960 LYS A CD 1 \nATOM 2067 C CE . LYS A 1 268 ? 23.462 5.782 9.499 1.00 48.14 ? 960 LYS A CE 1 \nATOM 2068 N NZ . LYS A 1 268 ? 23.127 4.504 8.814 1.00 57.44 ? 960 LYS A NZ 1 \nATOM 2069 N N . PHE A 1 269 ? 19.394 9.652 12.456 1.00 24.91 ? 961 PHE A N 1 \nATOM 2070 C CA . PHE A 1 269 ? 18.433 10.468 13.137 1.00 26.97 ? 961 PHE A CA 1 \nATOM 2071 C C . PHE A 1 269 ? 17.237 9.612 13.525 1.00 22.48 ? 961 PHE A C 1 \nATOM 2072 O O . PHE A 1 269 ? 16.689 9.800 14.595 1.00 26.85 ? 961 PHE A O 1 \nATOM 2073 C CB . PHE A 1 269 ? 18.014 11.643 12.277 1.00 33.43 ? 961 PHE A CB 1 \nATOM 2074 C CG . PHE A 1 269 ? 19.026 12.743 12.274 1.00 24.90 ? 961 PHE A CG 1 \nATOM 2075 C CD1 . PHE A 1 269 ? 19.358 13.369 13.466 1.00 23.94 ? 961 PHE A CD1 1 \nATOM 2076 C CD2 . PHE A 1 269 ? 19.630 13.143 11.093 1.00 24.13 ? 961 PHE A CD2 1 \nATOM 2077 C CE1 . PHE A 1 269 ? 20.352 14.358 13.498 1.00 26.04 ? 961 PHE A CE1 1 \nATOM 2078 C CE2 . PHE A 1 269 ? 20.554 14.165 11.109 1.00 27.17 ? 961 PHE A CE2 1 \nATOM 2079 C CZ . PHE A 1 269 ? 20.904 14.778 12.306 1.00 25.42 ? 961 PHE A CZ 1 \nATOM 2080 N N . ARG A 1 270 ? 16.913 8.620 12.705 1.00 24.16 ? 962 ARG A N 1 \nATOM 2081 C CA . ARG A 1 270 ? 15.698 7.803 12.997 1.00 32.45 ? 962 ARG A CA 1 \nATOM 2082 C C . ARG A 1 270 ? 15.979 7.043 14.307 1.00 35.66 ? 962 ARG A C 1 \nATOM 2083 O O . ARG A 1 270 ? 15.109 6.916 15.173 1.00 34.39 ? 962 ARG A O 1 \nATOM 2084 C CB . ARG A 1 270 ? 15.393 6.848 11.821 1.00 36.50 ? 962 ARG A CB 1 \nATOM 2085 C CG . ARG A 1 270 ? 16.445 5.762 11.594 1.00 48.32 ? 962 ARG A CG 1 \nATOM 2086 C CD . ARG A 1 270 ? 16.647 5.384 10.127 1.00 72.54 ? 962 ARG A CD 1 \nATOM 2087 N NE . ARG A 1 270 ? 17.491 6.337 9.388 1.00 61.27 ? 962 ARG A NE 1 \nATOM 2088 C CZ . ARG A 1 270 ? 18.232 6.030 8.322 1.00 64.43 ? 962 ARG A CZ 1 \nATOM 2089 N NH1 . ARG A 1 270 ? 18.264 4.780 7.865 1.00 77.99 ? 962 ARG A NH1 1 \nATOM 2090 N NH2 . ARG A 1 270 ? 18.964 6.968 7.716 1.00 54.18 ? 962 ARG A NH2 1 \nATOM 2091 N N . GLU A 1 271 ? 17.232 6.598 14.462 1.00 30.85 ? 963 GLU A N 1 \nATOM 2092 C CA . GLU A 1 271 ? 17.713 5.932 15.695 1.00 32.05 ? 963 GLU A CA 1 \nATOM 2093 C C . GLU A 1 271 ? 17.723 6.833 16.937 1.00 31.45 ? 963 GLU A C 1 \nATOM 2094 O O . GLU A 1 271 ? 17.424 6.388 18.040 1.00 29.54 ? 963 GLU A O 1 \nATOM 2095 C CB . GLU A 1 271 ? 19.123 5.344 15.466 1.00 37.66 ? 963 GLU A CB 1 \nATOM 2096 C CG . GLU A 1 271 ? 19.140 4.191 14.463 1.00 39.70 ? 963 GLU A CG 1 \nATOM 2097 C CD . GLU A 1 271 ? 20.539 3.774 14.022 1.00 60.45 ? 963 GLU A CD 1 \nATOM 2098 O OE1 . GLU A 1 271 ? 20.644 2.752 13.313 1.00 56.23 ? 963 GLU A OE1 1 \nATOM 2099 O OE2 . GLU A 1 271 ? 21.533 4.453 14.369 1.00 41.38 ? 963 GLU A OE2 1 \nATOM 2100 N N . LEU A 1 272 ? 18.100 8.096 16.762 1.00 25.31 ? 964 LEU A N 1 \nATOM 2101 C CA . LEU A 1 272 ? 18.184 9.032 17.859 1.00 26.32 ? 964 LEU A CA 1 \nATOM 2102 C C . LEU A 1 272 ? 16.778 9.424 18.328 1.00 26.13 ? 964 LEU A C 1 \nATOM 2103 O O . LEU A 1 272 ? 16.542 9.584 19.516 1.00 28.65 ? 964 LEU A O 1 \nATOM 2104 C CB . LEU A 1 272 ? 18.960 10.264 17.395 1.00 25.89 ? 964 LEU A CB 1 \nATOM 2105 C CG . LEU A 1 272 ? 20.460 10.072 17.111 1.00 28.60 ? 964 LEU A CG 1 \nATOM 2106 C CD1 . LEU A 1 272 ? 20.942 11.251 16.261 1.00 28.66 ? 964 LEU A CD1 1 \nATOM 2107 C CD2 . LEU A 1 272 ? 21.206 9.996 18.428 1.00 27.47 ? 964 LEU A CD2 1 \nATOM 2108 N N . ILE A 1 273 ? 15.848 9.508 17.390 1.00 28.34 ? 965 ILE A N 1 \nATOM 2109 C CA . ILE A 1 273 ? 14.435 9.745 17.762 1.00 26.46 ? 965 ILE A CA 1 \nATOM 2110 C C . ILE A 1 273 ? 13.987 8.624 18.726 1.00 30.61 ? 965 ILE A C 1 \nATOM 2111 O O . ILE A 1 273 ? 13.446 8.890 19.807 1.00 35.75 ? 965 ILE A O 1 \nATOM 2112 C CB . ILE A 1 273 ? 13.507 9.775 16.531 1.00 25.40 ? 965 ILE A CB 1 \nATOM 2113 C CG1 . ILE A 1 273 ? 13.784 10.979 15.618 1.00 25.97 ? 965 ILE A CG1 1 \nATOM 2114 C CG2 . ILE A 1 273 ? 12.032 9.811 17.000 1.00 25.35 ? 965 ILE A CG2 1 \nATOM 2115 C CD1 . ILE A 1 273 ? 13.176 10.873 14.232 1.00 30.34 ? 965 ILE A CD1 1 \nATOM 2116 N N . ILE A 1 274 ? 14.233 7.375 18.338 1.00 29.68 ? 966 ILE A N 1 \nATOM 2117 C CA . ILE A 1 274 ? 13.841 6.221 19.176 1.00 33.21 ? 966 ILE A CA 1 \nATOM 2118 C C . ILE A 1 274 ? 14.534 6.232 20.529 1.00 36.70 ? 966 ILE A C 1 \nATOM 2119 O O . ILE A 1 274 ? 13.885 6.070 21.549 1.00 31.29 ? 966 ILE A O 1 \nATOM 2120 C CB . ILE A 1 274 ? 14.066 4.878 18.435 1.00 37.90 ? 966 ILE A CB 1 \nATOM 2121 C CG1 . ILE A 1 274 ? 13.175 4.837 17.184 1.00 35.13 ? 966 ILE A CG1 1 \nATOM 2122 C CG2 . ILE A 1 274 ? 13.825 3.690 19.359 1.00 38.22 ? 966 ILE A CG2 1 \nATOM 2123 C CD1 . ILE A 1 274 ? 13.473 3.718 16.211 1.00 39.64 ? 966 ILE A CD1 1 \nATOM 2124 N N . GLU A 1 275 ? 15.857 6.436 20.546 1.00 29.87 ? 967 GLU A N 1 \nATOM 2125 C CA . GLU A 1 275 ? 16.596 6.395 21.799 1.00 30.45 ? 967 GLU A CA 1 \nATOM 2126 C C . GLU A 1 275 ? 16.229 7.514 22.744 1.00 27.32 ? 967 GLU A C 1 \nATOM 2127 O O . GLU A 1 275 ? 16.050 7.279 23.938 1.00 31.31 ? 967 GLU A O 1 \nATOM 2128 C CB . GLU A 1 275 ? 18.118 6.417 21.550 1.00 29.82 ? 967 GLU A CB 1 \nATOM 2129 C CG . GLU A 1 275 ? 18.888 6.111 22.833 1.00 41.91 ? 967 GLU A CG 1 \nATOM 2130 C CD . GLU A 1 275 ? 20.220 5.413 22.612 1.00 67.96 ? 967 GLU A CD 1 \nATOM 2131 O OE1 . GLU A 1 275 ? 20.706 5.384 21.459 1.00 72.73 ? 967 GLU A OE1 1 \nATOM 2132 O OE2 . GLU A 1 275 ? 20.787 4.895 23.605 1.00 71.12 ? 967 GLU A OE2 1 \nATOM 2133 N N . PHE A 1 276 ? 16.157 8.746 22.244 1.00 25.09 ? 968 PHE A N 1 \nATOM 2134 C CA . PHE A 1 276 ? 15.799 9.825 23.118 1.00 24.70 ? 968 PHE A CA 1 \nATOM 2135 C C . PHE A 1 276 ? 14.334 9.732 23.526 1.00 27.77 ? 968 PHE A C 1 \nATOM 2136 O O . PHE A 1 276 ? 13.984 10.202 24.602 1.00 33.79 ? 968 PHE A O 1 \nATOM 2137 C CB . PHE A 1 276 ? 16.098 11.200 22.519 1.00 29.04 ? 968 PHE A CB 1 \nATOM 2138 C CG . PHE A 1 276 ? 17.534 11.615 22.687 1.00 26.08 ? 968 PHE A CG 1 \nATOM 2139 C CD1 . PHE A 1 276 ? 17.986 12.107 23.923 1.00 28.02 ? 968 PHE A CD1 1 \nATOM 2140 C CD2 . PHE A 1 276 ? 18.414 11.523 21.643 1.00 31.48 ? 968 PHE A CD2 1 \nATOM 2141 C CE1 . PHE A 1 276 ? 19.312 12.484 24.098 1.00 37.91 ? 968 PHE A CE1 1 \nATOM 2142 C CE2 . PHE A 1 276 ? 19.764 11.894 21.814 1.00 28.57 ? 968 PHE A CE2 1 \nATOM 2143 C CZ . PHE A 1 276 ? 20.193 12.375 23.040 1.00 28.34 ? 968 PHE A CZ 1 \nATOM 2144 N N . SER A 1 277 ? 13.498 9.131 22.682 1.00 30.87 ? 969 SER A N 1 \nATOM 2145 C CA . SER A 1 277 ? 12.068 8.965 23.060 1.00 33.85 ? 969 SER A CA 1 \nATOM 2146 C C . SER A 1 277 ? 11.898 7.999 24.228 1.00 33.17 ? 969 SER A C 1 \nATOM 2147 O O . SER A 1 277 ? 11.093 8.243 25.128 1.00 34.84 ? 969 SER A O 1 \nATOM 2148 C CB . SER A 1 277 ? 11.181 8.532 21.883 1.00 32.06 ? 969 SER A CB 1 \nATOM 2149 O OG . SER A 1 277 ? 10.991 9.585 20.955 1.00 33.02 ? 969 SER A OG 1 \nATOM 2150 N N . LYS A 1 278 ? 12.652 6.908 24.205 1.00 32.14 ? 970 LYS A N 1 \nATOM 2151 C CA . LYS A 1 278 ? 12.703 5.961 25.309 1.00 37.37 ? 970 LYS A CA 1 \nATOM 2152 C C . LYS A 1 278 ? 13.193 6.609 26.609 1.00 39.04 ? 970 LYS A C 1 \nATOM 2153 O O . LYS A 1 278 ? 12.638 6.378 27.685 1.00 34.22 ? 970 LYS A O 1 \nATOM 2154 C CB . LYS A 1 278 ? 13.586 4.781 24.930 1.00 44.71 ? 970 LYS A CB 1 \nATOM 2155 C CG . LYS A 1 278 ? 13.514 3.603 25.888 1.00 54.40 ? 970 LYS A CG 1 \nATOM 2156 C CD . LYS A 1 278 ? 14.842 2.871 25.914 1.00 66.75 ? 970 LYS A CD 1 \nATOM 2157 C CE . LYS A 1 278 ? 15.858 3.647 26.735 1.00 61.14 ? 970 LYS A CE 1 \nATOM 2158 N NZ . LYS A 1 278 ? 17.221 3.578 26.145 1.00 57.30 ? 970 LYS A NZ 1 \nATOM 2159 N N . MET A 1 279 ? 14.221 7.447 26.507 1.00 34.27 ? 971 MET A N 1 \nATOM 2160 C CA . MET A 1 279 ? 14.714 8.170 27.667 1.00 38.53 ? 971 MET A CA 1 \nATOM 2161 C C . MET A 1 279 ? 13.699 9.182 28.205 1.00 36.40 ? 971 MET A C 1 \nATOM 2162 O O . MET A 1 279 ? 13.541 9.326 29.421 1.00 37.01 ? 971 MET A O 1 \nATOM 2163 C CB . MET A 1 279 ? 16.045 8.860 27.343 1.00 32.59 ? 971 MET A CB 1 \nATOM 2164 C CG . MET A 1 279 ? 17.187 7.876 27.201 1.00 37.63 ? 971 MET A CG 1 \nATOM 2165 S SD . MET A 1 279 ? 18.730 8.693 26.743 1.00 42.65 ? 971 MET A SD 1 \nATOM 2166 C CE . MET A 1 279 ? 19.755 7.243 26.504 1.00 41.03 ? 971 MET A CE 1 \nATOM 2167 N N . ALA A 1 280 ? 13.022 9.881 27.306 1.00 35.63 ? 972 ALA A N 1 \nATOM 2168 C CA . ALA A 1 280 ? 12.009 10.863 27.707 1.00 40.29 ? 972 ALA A CA 1 \nATOM 2169 C C . ALA A 1 280 ? 10.846 10.214 28.471 1.00 39.74 ? 972 ALA A C 1 \nATOM 2170 O O . ALA A 1 280 ? 10.048 10.905 29.100 1.00 41.83 ? 972 ALA A O 1 \nATOM 2171 C CB . ALA A 1 280 ? 11.484 11.612 26.501 1.00 36.65 ? 972 ALA A CB 1 \nATOM 2172 N N . ARG A 1 281 ? 10.763 8.890 28.411 1.00 38.80 ? 973 ARG A N 1 \nATOM 2173 C CA . ARG A 1 281 ? 9.721 8.145 29.122 1.00 45.17 ? 973 ARG A CA 1 \nATOM 2174 C C . ARG A 1 281 ? 10.071 7.938 30.587 1.00 46.95 ? 973 ARG A C 1 \nATOM 2175 O O . ARG A 1 281 ? 9.193 7.680 31.408 1.00 46.82 ? 973 ARG A O 1 \nATOM 2176 C CB . ARG A 1 281 ? 9.460 6.799 28.448 1.00 49.11 ? 973 ARG A CB 1 \nATOM 2177 C CG . ARG A 1 281 ? 8.497 6.894 27.281 1.00 63.00 ? 973 ARG A CG 1 \nATOM 2178 C CD . ARG A 1 281 ? 8.006 5.523 26.852 1.00 68.86 ? 973 ARG A CD 1 \nATOM 2179 N NE . ARG A 1 281 ? 8.972 4.845 25.992 1.00 74.80 ? 973 ARG A NE 1 \nATOM 2180 C CZ . ARG A 1 281 ? 9.147 5.112 24.699 1.00 74.25 ? 973 ARG A CZ 1 \nATOM 2181 N NH1 . ARG A 1 281 ? 8.426 6.054 24.094 1.00 60.78 ? 973 ARG A NH1 1 \nATOM 2182 N NH2 . ARG A 1 281 ? 10.052 4.439 24.007 1.00 62.58 ? 973 ARG A NH2 1 \nATOM 2183 N N . ASP A 1 282 ? 11.356 8.059 30.913 1.00 44.27 ? 974 ASP A N 1 \nATOM 2184 C CA . ASP A 1 282 ? 11.825 7.902 32.281 1.00 40.09 ? 974 ASP A CA 1 \nATOM 2185 C C . ASP A 1 282 ? 12.989 8.886 32.485 1.00 43.22 ? 974 ASP A C 1 \nATOM 2186 O O . ASP A 1 282 ? 14.125 8.467 32.685 1.00 44.56 ? 974 ASP A O 1 \nATOM 2187 C CB . ASP A 1 282 ? 12.254 6.440 32.496 1.00 49.38 ? 974 ASP A CB 1 \nATOM 2188 C CG . ASP A 1 282 ? 12.701 6.146 33.922 1.00 50.59 ? 974 ASP A CG 1 \nATOM 2189 O OD1 . ASP A 1 282 ? 12.452 6.968 34.825 1.00 48.82 ? 974 ASP A OD1 1 \nATOM 2190 O OD2 . ASP A 1 282 ? 13.317 5.076 34.134 1.00 59.91 ? 974 ASP A OD2 1 \nATOM 2191 N N . PRO A 1 283 ? 12.706 10.199 32.427 1.00 47.74 ? 975 PRO A N 1 \nATOM 2192 C CA . PRO A 1 283 ? 13.787 11.200 32.291 1.00 38.86 ? 975 PRO A CA 1 \nATOM 2193 C C . PRO A 1 283 ? 14.784 11.235 33.452 1.00 49.16 ? 975 PRO A C 1 \nATOM 2194 O O . PRO A 1 283 ? 15.972 11.511 33.256 1.00 35.53 ? 975 PRO A O 1 \nATOM 2195 C CB . PRO A 1 283 ? 13.033 12.530 32.189 1.00 42.70 ? 975 PRO A CB 1 \nATOM 2196 C CG . PRO A 1 283 ? 11.678 12.271 32.763 1.00 40.71 ? 975 PRO A CG 1 \nATOM 2197 C CD . PRO A 1 283 ? 11.371 10.826 32.491 1.00 37.78 ? 975 PRO A CD 1 \nATOM 2198 N N . GLN A 1 284 ? 14.305 10.943 34.654 1.00 46.37 ? 976 GLN A N 1 \nATOM 2199 C CA . GLN A 1 284 ? 15.132 11.037 35.844 1.00 44.65 ? 976 GLN A CA 1 \nATOM 2200 C C . GLN A 1 284 ? 16.125 9.898 35.976 1.00 44.99 ? 976 GLN A C 1 \nATOM 2201 O O . GLN A 1 284 ? 17.103 10.018 36.712 1.00 46.21 ? 976 GLN A O 1 \nATOM 2202 C CB . GLN A 1 284 ? 14.268 11.228 37.092 1.00 49.69 ? 976 GLN A CB 1 \nATOM 2203 C CG . GLN A 1 284 ? 13.475 12.530 37.034 1.00 56.06 ? 976 GLN A CG 1 \nATOM 2204 C CD . GLN A 1 284 ? 12.517 12.716 38.191 1.00 63.88 ? 976 GLN A CD 1 \nATOM 2205 O OE1 . GLN A 1 284 ? 11.316 12.930 37.993 1.00 71.50 ? 976 GLN A OE1 1 \nATOM 2206 N NE2 . GLN A 1 284 ? 13.039 12.644 39.403 1.00 50.50 ? 976 GLN A NE2 1 \nATOM 2207 N N . ARG A 1 285 ? 15.884 8.808 35.243 1.00 42.74 ? 977 ARG A N 1 \nATOM 2208 C CA . ARG A 1 285 ? 16.888 7.757 35.069 1.00 45.63 ? 977 ARG A CA 1 \nATOM 2209 C C . ARG A 1 285 ? 18.112 8.246 34.274 1.00 43.53 ? 977 ARG A C 1 \nATOM 2210 O O . ARG A 1 285 ? 19.234 7.782 34.496 1.00 42.89 ? 977 ARG A O 1 \nATOM 2211 C CB . ARG A 1 285 ? 16.281 6.535 34.364 1.00 45.27 ? 977 ARG A CB 1 \nATOM 2212 C CG . ARG A 1 285 ? 17.132 5.283 34.472 1.00 46.22 ? 977 ARG A CG 1 \nATOM 2213 C CD . ARG A 1 285 ? 16.596 4.107 33.671 1.00 54.73 ? 977 ARG A CD 1 \nATOM 2214 N NE . ARG A 1 285 ? 17.709 3.226 33.297 1.00 57.38 ? 977 ARG A NE 1 \nATOM 2215 C CZ . ARG A 1 285 ? 17.623 2.135 32.532 1.00 64.89 ? 977 ARG A CZ 1 \nATOM 2216 N NH1 . ARG A 1 285 ? 18.720 1.429 32.275 1.00 58.85 ? 977 ARG A NH1 1 \nATOM 2217 N NH2 . ARG A 1 285 ? 16.465 1.744 32.016 1.00 46.96 ? 977 ARG A NH2 1 \nATOM 2218 N N . TYR A 1 286 ? 17.904 9.187 33.354 1.00 45.93 ? 978 TYR A N 1 \nATOM 2219 C CA . TYR A 1 286 ? 18.962 9.530 32.383 1.00 38.90 ? 978 TYR A CA 1 \nATOM 2220 C C . TYR A 1 286 ? 19.665 10.872 32.595 1.00 39.82 ? 978 TYR A C 1 \nATOM 2221 O O . TYR A 1 286 ? 20.848 11.039 32.216 1.00 32.24 ? 978 TYR A O 1 \nATOM 2222 C CB . TYR A 1 286 ? 18.411 9.401 30.966 1.00 35.50 ? 978 TYR A CB 1 \nATOM 2223 C CG . TYR A 1 286 ? 17.969 7.990 30.665 1.00 38.93 ? 978 TYR A CG 1 \nATOM 2224 C CD1 . TYR A 1 286 ? 16.619 7.628 30.743 1.00 41.70 ? 978 TYR A CD1 1 \nATOM 2225 C CD2 . TYR A 1 286 ? 18.900 7.009 30.321 1.00 39.01 ? 978 TYR A CD2 1 \nATOM 2226 C CE1 . TYR A 1 286 ? 16.211 6.324 30.474 1.00 40.99 ? 978 TYR A CE1 1 \nATOM 2227 C CE2 . TYR A 1 286 ? 18.500 5.699 30.064 1.00 43.77 ? 978 TYR A CE2 1 \nATOM 2228 C CZ . TYR A 1 286 ? 17.154 5.369 30.140 1.00 47.30 ? 978 TYR A CZ 1 \nATOM 2229 O OH . TYR A 1 286 ? 16.756 4.081 29.863 1.00 43.86 ? 978 TYR A OH 1 \nATOM 2230 N N . LEU A 1 287 ? 18.938 11.822 33.181 1.00 32.08 ? 979 LEU A N 1 \nATOM 2231 C CA . LEU A 1 287 ? 19.534 13.110 33.578 1.00 32.15 ? 979 LEU A CA 1 \nATOM 2232 C C . LEU A 1 287 ? 19.379 13.331 35.074 1.00 37.34 ? 979 LEU A C 1 \nATOM 2233 O O . LEU A 1 287 ? 18.300 13.095 35.640 1.00 40.97 ? 979 LEU A O 1 \nATOM 2234 C CB . LEU A 1 287 ? 18.920 14.286 32.787 1.00 32.90 ? 979 LEU A CB 1 \nATOM 2235 C CG . LEU A 1 287 ? 19.028 14.222 31.257 1.00 37.92 ? 979 LEU A CG 1 \nATOM 2236 C CD1 . LEU A 1 287 ? 18.289 15.375 30.604 1.00 34.76 ? 979 LEU A CD1 1 \nATOM 2237 C CD2 . LEU A 1 287 ? 20.481 14.218 30.787 1.00 30.23 ? 979 LEU A CD2 1 \nATOM 2238 N N . VAL A 1 288 ? 20.460 13.780 35.710 1.00 35.35 ? 980 VAL A N 1 \nATOM 2239 C CA . VAL A 1 288 ? 20.490 14.006 37.150 1.00 41.00 ? 980 VAL A CA 1 \nATOM 2240 C C . VAL A 1 288 ? 20.533 15.506 37.424 1.00 40.10 ? 980 VAL A C 1 \nATOM 2241 O O . VAL A 1 288 ? 21.585 16.134 37.309 1.00 40.40 ? 980 VAL A O 1 \nATOM 2242 C CB . VAL A 1 288 ? 21.692 13.297 37.827 1.00 41.35 ? 980 VAL A CB 1 \nATOM 2243 C CG1 . VAL A 1 288 ? 21.594 13.413 39.343 1.00 47.67 ? 980 VAL A CG1 1 \nATOM 2244 C CG2 . VAL A 1 288 ? 21.748 11.832 37.428 1.00 44.11 ? 980 VAL A CG2 1 \nATOM 2245 N N . ILE A 1 289 ? 19.380 16.067 37.785 1.00 38.21 ? 981 ILE A N 1 \nATOM 2246 C CA . ILE A 1 289 ? 19.229 17.500 38.005 1.00 41.44 ? 981 ILE A CA 1 \nATOM 2247 C C . ILE A 1 289 ? 18.665 17.708 39.411 1.00 50.08 ? 981 ILE A C 1 \nATOM 2248 O O . ILE A 1 289 ? 17.603 17.179 39.731 1.00 46.16 ? 981 ILE A O 1 \nATOM 2249 C CB . ILE A 1 289 ? 18.273 18.126 36.956 1.00 43.63 ? 981 ILE A CB 1 \nATOM 2250 C CG1 . ILE A 1 289 ? 18.811 17.912 35.526 1.00 40.45 ? 981 ILE A CG1 1 \nATOM 2251 C CG2 . ILE A 1 289 ? 18.020 19.603 37.244 1.00 44.86 ? 981 ILE A CG2 1 \nATOM 2252 C CD1 . ILE A 1 289 ? 17.808 18.200 34.428 1.00 44.41 ? 981 ILE A CD1 1 \nATOM 2253 N N . GLN A 1 290 ? 19.367 18.469 40.247 1.00 50.83 ? 982 GLN A N 1 \nATOM 2254 C CA . GLN A 1 290 ? 18.880 18.741 41.600 1.00 51.62 ? 982 GLN A CA 1 \nATOM 2255 C C . GLN A 1 290 ? 17.574 19.526 41.551 1.00 55.46 ? 982 GLN A C 1 \nATOM 2256 O O . GLN A 1 290 ? 17.480 20.552 40.874 1.00 57.81 ? 982 GLN A O 1 \nATOM 2257 C CB . GLN A 1 290 ? 19.919 19.503 42.417 1.00 66.60 ? 982 GLN A CB 1 \nATOM 2258 C CG . GLN A 1 290 ? 19.629 19.481 43.912 1.00 84.41 ? 982 GLN A CG 1 \nATOM 2259 C CD . GLN A 1 290 ? 20.596 20.323 44.721 1.00 91.98 ? 982 GLN A CD 1 \nATOM 2260 O OE1 . GLN A 1 290 ? 20.963 21.428 44.321 1.00 79.66 ? 982 GLN A OE1 1 \nATOM 2261 N NE2 . GLN A 1 290 ? 21.005 19.805 45.874 1.00 98.17 ? 982 GLN A NE2 1 \nATOM 2262 N N . GLY A 1 291 ? 16.564 19.031 42.260 1.00 57.34 ? 983 GLY A N 1 \nATOM 2263 C CA . GLY A 1 291 ? 15.272 19.707 42.324 1.00 58.56 ? 983 GLY A CA 1 \nATOM 2264 C C . GLY A 1 291 ? 14.382 19.380 41.140 1.00 64.74 ? 983 GLY A C 1 \nATOM 2265 O O . GLY A 1 291 ? 13.302 19.957 40.991 1.00 57.96 ? 983 GLY A O 1 \nATOM 2266 N N . ASP A 1 292 ? 14.829 18.429 40.319 1.00 58.41 ? 984 ASP A N 1 \nATOM 2267 C CA . ASP A 1 292 ? 14.153 18.052 39.082 1.00 50.51 ? 984 ASP A CA 1 \nATOM 2268 C C . ASP A 1 292 ? 12.631 17.979 39.234 1.00 54.41 ? 984 ASP A C 1 \nATOM 2269 O O . ASP A 1 292 ? 11.900 18.579 38.444 1.00 54.82 ? 984 ASP A O 1 \nATOM 2270 C CB . ASP A 1 292 ? 14.706 16.714 38.572 1.00 41.18 ? 984 ASP A CB 1 \nATOM 2271 C CG . ASP A 1 292 ? 14.494 16.510 37.081 1.00 51.31 ? 984 ASP A CG 1 \nATOM 2272 O OD1 . ASP A 1 292 ? 13.942 17.406 36.407 1.00 55.80 ? 984 ASP A OD1 1 \nATOM 2273 O OD2 . ASP A 1 292 ? 14.890 15.434 36.583 1.00 53.67 ? 984 ASP A OD2 1 \nATOM 2274 N N . GLU A 1 293 ? 12.168 17.250 40.250 1.00 61.44 ? 985 GLU A N 1 \nATOM 2275 C CA . GLU A 1 293 ? 10.734 17.068 40.514 1.00 75.39 ? 985 GLU A CA 1 \nATOM 2276 C C . GLU A 1 293 ? 9.997 18.398 40.742 1.00 70.39 ? 985 GLU A C 1 \nATOM 2277 O O . GLU A 1 293 ? 8.878 18.582 40.260 1.00 71.81 ? 985 GLU A O 1 \nATOM 2278 C CB . GLU A 1 293 ? 10.529 16.127 41.710 1.00 87.47 ? 985 GLU A CB 1 \nATOM 2279 C CG . GLU A 1 293 ? 9.132 15.530 41.829 1.00 106.30 ? 985 GLU A CG 1 \nATOM 2280 C CD . GLU A 1 293 ? 8.910 14.338 40.911 1.00 119.07 ? 985 GLU A CD 1 \nATOM 2281 O OE1 . GLU A 1 293 ? 9.723 13.387 40.948 1.00 109.24 ? 985 GLU A OE1 1 \nATOM 2282 O OE2 . GLU A 1 293 ? 7.911 14.345 40.160 1.00 120.64 ? 985 GLU A OE2 1 \nATOM 2283 N N . ARG A 1 294 ? 10.636 19.315 41.465 1.00 70.04 ? 986 ARG A N 1 \nATOM 2284 C CA . ARG A 1 294 ? 10.063 20.626 41.770 1.00 74.49 ? 986 ARG A CA 1 \nATOM 2285 C C . ARG A 1 294 ? 10.618 21.720 40.852 1.00 82.24 ? 986 ARG A C 1 \nATOM 2286 O O . ARG A 1 294 ? 11.241 22.679 41.317 1.00 98.92 ? 986 ARG A O 1 \nATOM 2287 C CB . ARG A 1 294 ? 10.291 20.990 43.249 1.00 78.16 ? 986 ARG A CB 1 \nATOM 2288 C CG . ARG A 1 294 ? 9.347 20.310 44.236 1.00 89.52 ? 986 ARG A CG 1 \nATOM 2289 C CD . ARG A 1 294 ? 9.857 18.947 44.685 1.00 91.30 ? 986 ARG A CD 1 \nATOM 2290 N NE . ARG A 1 294 ? 10.823 19.046 45.780 1.00 105.11 ? 986 ARG A NE 1 \nATOM 2291 C CZ . ARG A 1 294 ? 10.561 18.740 47.050 1.00 116.04 ? 986 ARG A CZ 1 \nATOM 2292 N NH1 . ARG A 1 294 ? 9.358 18.302 47.404 1.00 113.63 ? 986 ARG A NH1 1 \nATOM 2293 N NH2 . ARG A 1 294 ? 11.509 18.865 47.973 1.00 102.80 ? 986 ARG A NH2 1 \nATOM 2294 N N . MET A 1 295 ? 10.395 21.570 39.548 1.00 81.34 ? 987 MET A N 1 \nATOM 2295 C CA . MET A 1 295 ? 10.823 22.582 38.579 1.00 74.92 ? 987 MET A CA 1 \nATOM 2296 C C . MET A 1 295 ? 9.706 23.056 37.667 1.00 78.05 ? 987 MET A C 1 \nATOM 2297 O O . MET A 1 295 ? 9.112 22.272 36.924 1.00 65.68 ? 987 MET A O 1 \nATOM 2298 C CB . MET A 1 295 ? 12.022 22.112 37.756 1.00 80.36 ? 987 MET A CB 1 \nATOM 2299 C CG . MET A 1 295 ? 13.333 22.695 38.244 1.00 67.52 ? 987 MET A CG 1 \nATOM 2300 S SD . MET A 1 295 ? 14.745 21.861 37.521 1.00 74.21 ? 987 MET A SD 1 \nATOM 2301 C CE . MET A 1 295 ? 16.070 22.517 38.532 1.00 74.56 ? 987 MET A CE 1 \nATOM 2302 N N . HIS A 1 296 ? 9.450 24.356 37.730 1.00 94.20 ? 988 HIS A N 1 \nATOM 2303 C CA . HIS A 1 296 ? 8.340 24.980 37.028 1.00 94.97 ? 988 HIS A CA 1 \nATOM 2304 C C . HIS A 1 296 ? 8.871 25.986 36.014 1.00 76.90 ? 988 HIS A C 1 \nATOM 2305 O O . HIS A 1 296 ? 9.596 26.914 36.376 1.00 78.04 ? 988 HIS A O 1 \nATOM 2306 C CB . HIS A 1 296 ? 7.414 25.673 38.040 1.00 115.88 ? 988 HIS A CB 1 \nATOM 2307 C CG . HIS A 1 296 ? 8.135 26.558 39.016 1.00 132.41 ? 988 HIS A CG 1 \nATOM 2308 N ND1 . HIS A 1 296 ? 8.836 26.062 40.095 1.00 126.55 ? 988 HIS A ND1 1 \nATOM 2309 C CD2 . HIS A 1 296 ? 8.264 27.905 39.071 1.00 128.35 ? 988 HIS A CD2 1 \nATOM 2310 C CE1 . HIS A 1 296 ? 9.366 27.065 40.772 1.00 120.82 ? 988 HIS A CE1 1 \nATOM 2311 N NE2 . HIS A 1 296 ? 9.034 28.194 40.172 1.00 121.40 ? 988 HIS A NE2 1 \nATOM 2312 N N . LEU A 1 297 ? 8.529 25.798 34.744 1.00 61.44 ? 989 LEU A N 1 \nATOM 2313 C CA . LEU A 1 297 ? 8.944 26.763 33.728 1.00 72.63 ? 989 LEU A CA 1 \nATOM 2314 C C . LEU A 1 297 ? 8.065 28.009 33.747 1.00 85.75 ? 989 LEU A C 1 \nATOM 2315 O O . LEU A 1 297 ? 6.834 27.894 33.749 1.00 68.16 ? 989 LEU A O 1 \nATOM 2316 C CB . LEU A 1 297 ? 8.997 26.145 32.325 1.00 67.66 ? 989 LEU A CB 1 \nATOM 2317 C CG . LEU A 1 297 ? 10.311 25.454 31.936 1.00 67.91 ? 989 LEU A CG 1 \nATOM 2318 C CD1 . LEU A 1 297 ? 10.234 25.008 30.488 1.00 65.81 ? 989 LEU A CD1 1 \nATOM 2319 C CD2 . LEU A 1 297 ? 11.531 26.344 32.152 1.00 50.84 ? 989 LEU A CD2 1 \nATOM 2320 N N . PRO A 1 298 ? 8.700 29.202 33.773 1.00 86.52 ? 990 PRO A N 1 \nATOM 2321 C CA . PRO A 1 298 ? 7.985 30.476 33.786 1.00 89.95 ? 990 PRO A CA 1 \nATOM 2322 C C . PRO A 1 298 ? 7.082 30.614 32.576 1.00 85.79 ? 990 PRO A C 1 \nATOM 2323 O O . PRO A 1 298 ? 7.395 30.085 31.505 1.00 80.02 ? 990 PRO A O 1 \nATOM 2324 C CB . PRO A 1 298 ? 9.110 31.515 33.708 1.00 92.65 ? 990 PRO A CB 1 \nATOM 2325 C CG . PRO A 1 298 ? 10.305 30.821 34.259 1.00 91.35 ? 990 PRO A CG 1 \nATOM 2326 C CD . PRO A 1 298 ? 10.161 29.400 33.802 1.00 83.38 ? 990 PRO A CD 1 \nATOM 2327 N N . SER A 1 299 ? 5.965 31.312 32.762 1.00 84.48 ? 991 SER A N 1 \nATOM 2328 C CA . SER A 1 299 ? 5.051 31.639 31.676 1.00 93.44 ? 991 SER A CA 1 \nATOM 2329 C C . SER A 1 299 ? 5.854 32.156 30.482 1.00 92.51 ? 991 SER A C 1 \nATOM 2330 O O . SER A 1 299 ? 6.660 33.080 30.632 1.00 91.73 ? 991 SER A O 1 \nATOM 2331 C CB . SER A 1 299 ? 4.032 32.684 32.138 1.00 98.17 ? 991 SER A CB 1 \nATOM 2332 O OG . SER A 1 299 ? 3.057 32.924 31.141 1.00 92.32 ? 991 SER A OG 1 \nATOM 2333 N N . PRO A 1 300 ? 5.655 31.541 29.299 1.00 96.28 ? 992 PRO A N 1 \nATOM 2334 C CA . PRO A 1 300 ? 6.471 31.836 28.118 1.00 93.22 ? 992 PRO A CA 1 \nATOM 2335 C C . PRO A 1 300 ? 6.521 33.327 27.773 1.00 101.42 ? 992 PRO A C 1 \nATOM 2336 O O . PRO A 1 300 ? 7.588 33.832 27.417 1.00 105.40 ? 992 PRO A O 1 \nATOM 2337 C CB . PRO A 1 300 ? 5.781 31.044 26.999 1.00 89.86 ? 992 PRO A CB 1 \nATOM 2338 C CG . PRO A 1 300 ? 5.037 29.959 27.697 1.00 95.22 ? 992 PRO A CG 1 \nATOM 2339 C CD . PRO A 1 300 ? 4.610 30.540 29.012 1.00 100.69 ? 992 PRO A CD 1 \nATOM 2340 N N . THR A 1 301 ? 5.386 34.019 27.896 1.00 81.78 ? 993 THR A N 1 \nATOM 2341 C CA . THR A 1 301 ? 5.290 35.439 27.527 1.00 91.40 ? 993 THR A CA 1 \nATOM 2342 C C . THR A 1 301 ? 5.809 36.395 28.607 1.00 106.34 ? 993 THR A C 1 \nATOM 2343 O O . THR A 1 301 ? 5.974 37.594 28.355 1.00 103.45 ? 993 THR A O 1 \nATOM 2344 C CB . THR A 1 301 ? 3.857 35.833 27.114 1.00 90.34 ? 993 THR A CB 1 \nATOM 2345 O OG1 . THR A 1 301 ? 2.911 35.171 27.963 1.00 97.10 ? 993 THR A OG1 1 \nATOM 2346 C CG2 . THR A 1 301 ? 3.590 35.439 25.666 1.00 85.30 ? 993 THR A CG2 1 \nATOM 2347 N N . ASP A 1 302 ? 6.066 35.861 29.800 1.00 111.43 ? 994 ASP A N 1 \nATOM 2348 C CA . ASP A 1 302 ? 6.711 36.622 30.869 1.00 102.16 ? 994 ASP A CA 1 \nATOM 2349 C C . ASP A 1 302 ? 8.228 36.642 30.686 1.00 91.62 ? 994 ASP A C 1 \nATOM 2350 O O . ASP A 1 302 ? 8.942 37.286 31.459 1.00 91.58 ? 994 ASP A O 1 \nATOM 2351 C CB . ASP A 1 302 ? 6.352 36.050 32.248 1.00 102.74 ? 994 ASP A CB 1 \nATOM 2352 C CG . ASP A 1 302 ? 4.889 36.266 32.618 1.00 109.76 ? 994 ASP A CG 1 \nATOM 2353 O OD1 . ASP A 1 302 ? 4.078 36.622 31.733 1.00 97.63 ? 994 ASP A OD1 1 \nATOM 2354 O OD2 . ASP A 1 302 ? 4.551 36.072 33.807 1.00 97.59 ? 994 ASP A OD2 1 \nATOM 2355 N N . SER A 1 303 ? 8.716 35.937 29.664 1.00 82.22 ? 995 SER A N 1 \nATOM 2356 C CA . SER A 1 303 ? 10.146 35.925 29.364 1.00 72.60 ? 995 SER A CA 1 \nATOM 2357 C C . SER A 1 303 ? 10.578 37.299 28.878 1.00 75.53 ? 995 SER A C 1 \nATOM 2358 O O . SER A 1 303 ? 9.802 38.037 28.253 1.00 70.58 ? 995 SER A O 1 \nATOM 2359 C CB . SER A 1 303 ? 10.526 34.838 28.336 1.00 76.40 ? 995 SER A CB 1 \nATOM 2360 O OG . SER A 1 303 ? 10.649 35.348 27.010 1.00 56.44 ? 995 SER A OG 1 \nATOM 2361 N N . ASN A 1 304 ? 11.823 37.631 29.181 1.00 70.57 ? 996 ASN A N 1 \nATOM 2362 C CA . ASN A 1 304 ? 12.399 38.885 28.758 1.00 73.99 ? 996 ASN A CA 1 \nATOM 2363 C C . ASN A 1 304 ? 12.426 38.999 27.234 1.00 75.58 ? 996 ASN A C 1 \nATOM 2364 O O . ASN A 1 304 ? 12.012 40.027 26.679 1.00 73.07 ? 996 ASN A O 1 \nATOM 2365 C CB . ASN A 1 304 ? 13.791 39.042 29.372 1.00 63.63 ? 996 ASN A CB 1 \nATOM 2366 C CG . ASN A 1 304 ? 13.744 39.179 30.887 1.00 74.59 ? 996 ASN A CG 1 \nATOM 2367 O OD1 . ASN A 1 304 ? 12.766 39.689 31.448 1.00 68.42 ? 996 ASN A OD1 1 \nATOM 2368 N ND2 . ASN A 1 304 ? 14.799 38.723 31.558 1.00 60.65 ? 996 ASN A ND2 1 \nATOM 2369 N N . PHE A 1 305 ? 12.862 37.923 26.570 1.00 67.63 ? 997 PHE A N 1 \nATOM 2370 C CA . PHE A 1 305 ? 13.005 37.907 25.112 1.00 45.42 ? 997 PHE A CA 1 \nATOM 2371 C C . PHE A 1 305 ? 11.723 38.287 24.381 1.00 51.92 ? 997 PHE A C 1 \nATOM 2372 O O . PHE A 1 305 ? 11.767 39.103 23.461 1.00 62.38 ? 997 PHE A O 1 \nATOM 2373 C CB . PHE A 1 305 ? 13.574 36.568 24.597 1.00 55.03 ? 997 PHE A CB 1 \nATOM 2374 C CG . PHE A 1 305 ? 14.234 36.683 23.247 1.00 45.20 ? 997 PHE A CG 1 \nATOM 2375 C CD1 . PHE A 1 305 ? 13.478 36.619 22.079 1.00 41.23 ? 997 PHE A CD1 1 \nATOM 2376 C CD2 . PHE A 1 305 ? 15.601 36.904 23.143 1.00 48.66 ? 997 PHE A CD2 1 \nATOM 2377 C CE1 . PHE A 1 305 ? 14.070 36.757 20.831 1.00 36.44 ? 997 PHE A CE1 1 \nATOM 2378 C CE2 . PHE A 1 305 ? 16.208 37.047 21.903 1.00 48.46 ? 997 PHE A CE2 1 \nATOM 2379 C CZ . PHE A 1 305 ? 15.445 36.979 20.742 1.00 37.79 ? 997 PHE A CZ 1 \nATOM 2380 N N . TYR A 1 306 ? 10.589 37.715 24.789 1.00 43.98 ? 998 TYR A N 1 \nATOM 2381 C CA . TYR A 1 306 ? 9.319 37.981 24.111 1.00 50.06 ? 998 TYR A CA 1 \nATOM 2382 C C . TYR A 1 306 ? 8.932 39.466 24.207 1.00 52.66 ? 998 TYR A C 1 \nATOM 2383 O O . TYR A 1 306 ? 8.694 40.110 23.181 1.00 50.37 ? 998 TYR A O 1 \nATOM 2384 C CB . TYR A 1 306 ? 8.182 37.087 24.631 1.00 50.26 ? 998 TYR A CB 1 \nATOM 2385 C CG . TYR A 1 306 ? 6.861 37.329 23.917 1.00 53.59 ? 998 TYR A CG 1 \nATOM 2386 C CD1 . TYR A 1 306 ? 6.503 36.573 22.808 1.00 65.72 ? 998 TYR A CD1 1 \nATOM 2387 C CD2 . TYR A 1 306 ? 5.975 38.320 24.349 1.00 66.46 ? 998 TYR A CD2 1 \nATOM 2388 C CE1 . TYR A 1 306 ? 5.305 36.785 22.146 1.00 71.54 ? 998 TYR A CE1 1 \nATOM 2389 C CE2 . TYR A 1 306 ? 4.776 38.545 23.691 1.00 67.06 ? 998 TYR A CE2 1 \nATOM 2390 C CZ . TYR A 1 306 ? 4.445 37.775 22.590 1.00 81.38 ? 998 TYR A CZ 1 \nATOM 2391 O OH . TYR A 1 306 ? 3.255 37.987 21.927 1.00 83.86 ? 998 TYR A OH 1 \nATOM 2392 N N . ARG A 1 307 ? 8.874 39.991 25.432 1.00 56.42 ? 999 ARG A N 1 \nATOM 2393 C CA . ARG A 1 307 ? 8.503 41.399 25.661 1.00 66.76 ? 999 ARG A CA 1 \nATOM 2394 C C . ARG A 1 307 ? 9.413 42.378 24.905 1.00 72.09 ? 999 ARG A C 1 \nATOM 2395 O O . ARG A 1 307 ? 8.908 43.316 24.264 1.00 54.14 ? 999 ARG A O 1 \nATOM 2396 C CB . ARG A 1 307 ? 8.470 41.731 27.157 1.00 75.45 ? 999 ARG A CB 1 \nATOM 2397 C CG . ARG A 1 307 ? 7.216 41.268 27.883 1.00 74.94 ? 999 ARG A CG 1 \nATOM 2398 C CD . ARG A 1 307 ? 7.080 41.993 29.214 1.00 92.57 ? 999 ARG A CD 1 \nATOM 2399 N NE . ARG A 1 307 ? 5.868 41.637 29.954 1.00 100.40 ? 999 ARG A NE 1 \nATOM 2400 C CZ . ARG A 1 307 ? 4.684 42.235 29.815 1.00 91.52 ? 999 ARG A CZ 1 \nATOM 2401 N NH1 . ARG A 1 307 ? 3.653 41.834 30.548 1.00 82.09 ? 999 ARG A NH1 1 \nATOM 2402 N NH2 . ARG A 1 307 ? 4.521 43.229 28.948 1.00 73.74 ? 999 ARG A NH2 1 \nATOM 2403 N N . ALA A 1 308 ? 10.733 42.126 24.981 1.00 57.15 ? 1000 ALA A N 1 \nATOM 2404 C CA . ALA A 1 308 ? 11.789 42.855 24.248 1.00 68.38 ? 1000 ALA A CA 1 \nATOM 2405 C C . ALA A 1 308 ? 11.556 42.981 22.738 1.00 71.95 ? 1000 ALA A C 1 \nATOM 2406 O O . ALA A 1 308 ? 12.022 43.944 22.112 1.00 65.03 ? 1000 ALA A O 1 \nATOM 2407 C CB . ALA A 1 308 ? 13.165 42.217 24.502 1.00 40.39 ? 1000 ALA A CB 1 \nATOM 2408 N N . LEU A 1 309 ? 10.858 42.001 22.161 1.00 46.21 ? 1001 LEU A N 1 \nATOM 2409 C CA . LEU A 1 309 ? 10.599 41.970 20.736 1.00 40.49 ? 1001 LEU A CA 1 \nATOM 2410 C C . LEU A 1 309 ? 9.259 42.576 20.348 1.00 53.57 ? 1001 LEU A C 1 \nATOM 2411 O O . LEU A 1 309 ? 9.165 43.282 19.337 1.00 53.84 ? 1001 LEU A O 1 \nATOM 2412 C CB . LEU A 1 309 ? 10.631 40.517 20.238 1.00 45.77 ? 1001 LEU A CB 1 \nATOM 2413 C CG . LEU A 1 309 ? 11.848 40.057 19.447 1.00 44.23 ? 1001 LEU A CG 1 \nATOM 2414 C CD1 . LEU A 1 309 ? 13.080 40.042 20.339 1.00 48.87 ? 1001 LEU A CD1 1 \nATOM 2415 C CD2 . LEU A 1 309 ? 11.594 38.682 18.855 1.00 41.26 ? 1001 LEU A CD2 1 \nATOM 2416 N N . MET A 1 310 ? 8.227 42.280 21.138 1.00 53.10 ? 1002 MET A N 1 \nATOM 2417 C CA . MET A 1 310 ? 6.840 42.522 20.706 1.00 62.26 ? 1002 MET A CA 1 \nATOM 2418 C C . MET A 1 310 ? 6.179 43.786 21.256 1.00 69.68 ? 1002 MET A C 1 \nATOM 2419 O O . MET A 1 310 ? 5.263 44.326 20.625 1.00 61.34 ? 1002 MET A O 1 \nATOM 2420 C CB . MET A 1 310 ? 5.961 41.304 21.002 1.00 58.73 ? 1002 MET A CB 1 \nATOM 2421 C CG . MET A 1 310 ? 6.454 39.993 20.406 1.00 69.22 ? 1002 MET A CG 1 \nATOM 2422 S SD . MET A 1 310 ? 6.912 40.077 18.661 1.00 66.89 ? 1002 MET A SD 1 \nATOM 2423 C CE . MET A 1 310 ? 5.350 40.495 17.883 1.00 72.08 ? 1002 MET A CE 1 \nATOM 2424 N N . ASP A 1 311 ? 6.640 44.251 22.416 1.00 73.79 ? 1003 ASP A N 1 \nATOM 2425 C CA . ASP A 1 311 ? 6.024 45.404 23.095 1.00 93.71 ? 1003 ASP A CA 1 \nATOM 2426 C C . ASP A 1 311 ? 6.280 46.765 22.430 1.00 87.67 ? 1003 ASP A C 1 \nATOM 2427 O O . ASP A 1 311 ? 5.575 47.736 22.721 1.00 88.50 ? 1003 ASP A O 1 \nATOM 2428 C CB . ASP A 1 311 ? 6.420 45.449 24.578 1.00 89.49 ? 1003 ASP A CB 1 \nATOM 2429 C CG . ASP A 1 311 ? 5.643 44.452 25.426 1.00 94.17 ? 1003 ASP A CG 1 \nATOM 2430 O OD1 . ASP A 1 311 ? 5.332 43.344 24.936 1.00 89.80 ? 1003 ASP A OD1 1 \nATOM 2431 O OD2 . ASP A 1 311 ? 5.350 44.779 26.596 1.00 109.80 ? 1003 ASP A OD2 1 \nATOM 2432 N N . GLU A 1 312 ? 7.276 46.830 21.546 1.00 85.41 ? 1004 GLU A N 1 \nATOM 2433 C CA . GLU A 1 312 ? 7.565 48.046 20.781 1.00 93.45 ? 1004 GLU A CA 1 \nATOM 2434 C C . GLU A 1 312 ? 6.314 48.554 20.060 1.00 91.45 ? 1004 GLU A C 1 \nATOM 2435 O O . GLU A 1 312 ? 5.539 47.762 19.520 1.00 82.23 ? 1004 GLU A O 1 \nATOM 2436 C CB . GLU A 1 312 ? 8.690 47.788 19.775 1.00 93.39 ? 1004 GLU A CB 1 \nATOM 2437 C CG . GLU A 1 312 ? 9.148 49.021 19.005 1.00 94.09 ? 1004 GLU A CG 1 \nATOM 2438 C CD . GLU A 1 312 ? 10.248 48.715 18.005 1.00 101.52 ? 1004 GLU A CD 1 \nATOM 2439 O OE1 . GLU A 1 312 ? 10.530 49.583 17.147 1.00 80.73 ? 1004 GLU A OE1 1 \nATOM 2440 O OE2 . GLU A 1 312 ? 10.832 47.611 18.072 1.00 81.92 ? 1004 GLU A OE2 1 \nATOM 2441 N N . GLU A 1 313 ? 6.126 49.874 20.064 1.00 95.81 ? 1005 GLU A N 1 \nATOM 2442 C CA . GLU A 1 313 ? 4.944 50.509 19.468 1.00 104.88 ? 1005 GLU A CA 1 \nATOM 2443 C C . GLU A 1 313 ? 4.859 50.336 17.949 1.00 106.59 ? 1005 GLU A C 1 \nATOM 2444 O O . GLU A 1 313 ? 3.762 50.332 17.384 1.00 111.84 ? 1005 GLU A O 1 \nATOM 2445 C CB . GLU A 1 313 ? 4.872 51.991 19.851 1.00 104.00 ? 1005 GLU A CB 1 \nATOM 2446 C CG . GLU A 1 313 ? 4.303 52.231 21.243 1.00 107.89 ? 1005 GLU A CG 1 \nATOM 2447 C CD . GLU A 1 313 ? 4.496 53.654 21.742 1.00 110.98 ? 1005 GLU A CD 1 \nATOM 2448 O OE1 . GLU A 1 313 ? 4.178 53.906 22.925 1.00 95.43 ? 1005 GLU A OE1 1 \nATOM 2449 O OE2 . GLU A 1 313 ? 4.963 54.518 20.966 1.00 103.24 ? 1005 GLU A OE2 1 \nATOM 2450 N N . ASP A 1 314 ? 6.016 50.190 17.301 1.00 117.69 ? 1006 ASP A N 1 \nATOM 2451 C CA . ASP A 1 314 ? 6.085 49.910 15.862 1.00 122.83 ? 1006 ASP A CA 1 \nATOM 2452 C C . ASP A 1 314 ? 5.346 48.617 15.502 1.00 114.70 ? 1006 ASP A C 1 \nATOM 2453 O O . ASP A 1 314 ? 4.738 48.520 14.432 1.00 108.57 ? 1006 ASP A O 1 \nATOM 2454 C CB . ASP A 1 314 ? 7.541 49.857 15.382 1.00 123.65 ? 1006 ASP A CB 1 \nATOM 2455 C CG . ASP A 1 314 ? 8.165 51.241 15.222 1.00 120.44 ? 1006 ASP A CG 1 \nATOM 2456 O OD1 . ASP A 1 314 ? 7.426 52.226 15.000 1.00 108.22 ? 1006 ASP A OD1 1 \nATOM 2457 O OD2 . ASP A 1 314 ? 9.407 51.342 15.307 1.00 108.51 ? 1006 ASP A OD2 1 \nATOM 2458 N N . MET A 1 315 ? 5.403 47.637 16.405 1.00 95.23 ? 1007 MET A N 1 \nATOM 2459 C CA . MET A 1 315 ? 4.582 46.431 16.311 1.00 90.94 ? 1007 MET A CA 1 \nATOM 2460 C C . MET A 1 315 ? 3.162 46.781 16.768 1.00 99.19 ? 1007 MET A C 1 \nATOM 2461 O O . MET A 1 315 ? 2.757 46.435 17.880 1.00 109.79 ? 1007 MET A O 1 \nATOM 2462 C CB . MET A 1 315 ? 5.163 45.292 17.172 1.00 83.16 ? 1007 MET A CB 1 \nATOM 2463 C CG . MET A 1 315 ? 6.685 45.153 17.169 1.00 67.00 ? 1007 MET A CG 1 \nATOM 2464 S SD . MET A 1 315 ? 7.428 44.700 15.581 1.00 68.15 ? 1007 MET A SD 1 \nATOM 2465 C CE . MET A 1 315 ? 6.871 43.001 15.382 1.00 58.33 ? 1007 MET A CE 1 \nATOM 2466 N N . ASP A 1 316 ? 2.420 47.477 15.905 1.00 111.50 ? 1008 ASP A N 1 \nATOM 2467 C CA . ASP A 1 316 ? 1.107 48.039 16.253 1.00 111.00 ? 1008 ASP A CA 1 \nATOM 2468 C C . ASP A 1 316 ? 0.024 46.965 16.422 1.00 105.42 ? 1008 ASP A C 1 \nATOM 2469 O O . ASP A 1 316 ? -0.178 46.451 17.524 1.00 105.28 ? 1008 ASP A O 1 \nATOM 2470 C CB . ASP A 1 316 ? 0.682 49.099 15.220 1.00 123.41 ? 1008 ASP A CB 1 \nATOM 2471 C CG . ASP A 1 316 ? -0.499 49.949 15.690 1.00 120.55 ? 1008 ASP A CG 1 \nATOM 2472 O OD1 . ASP A 1 316 ? -1.629 49.728 15.200 1.00 80.53 ? 1008 ASP A OD1 1 \nATOM 2473 O OD2 . ASP A 1 316 ? -0.301 50.839 16.547 1.00 117.47 ? 1008 ASP A OD2 1 \nATOM 2474 N N . ASP A 1 317 ? -0.672 46.641 15.333 1.00 102.23 ? 1009 ASP A N 1 \nATOM 2475 C CA . ASP A 1 317 ? -1.728 45.629 15.348 1.00 100.67 ? 1009 ASP A CA 1 \nATOM 2476 C C . ASP A 1 317 ? -1.355 44.501 14.390 1.00 93.72 ? 1009 ASP A C 1 \nATOM 2477 O O . ASP A 1 317 ? -1.402 44.671 13.165 1.00 74.22 ? 1009 ASP A O 1 \nATOM 2478 C CB . ASP A 1 317 ? -3.084 46.245 14.971 1.00 101.82 ? 1009 ASP A CB 1 \nATOM 2479 C CG . ASP A 1 317 ? -3.662 47.128 16.072 1.00 113.32 ? 1009 ASP A CG 1 \nATOM 2480 O OD1 . ASP A 1 317 ? -4.035 48.284 15.777 1.00 104.40 ? 1009 ASP A OD1 1 \nATOM 2481 O OD2 . ASP A 1 317 ? -3.754 46.668 17.231 1.00 113.63 ? 1009 ASP A OD2 1 \nATOM 2482 N N . VAL A 1 318 ? -0.985 43.353 14.957 1.00 93.07 ? 1010 VAL A N 1 \nATOM 2483 C CA . VAL A 1 318 ? -0.383 42.257 14.187 1.00 80.23 ? 1010 VAL A CA 1 \nATOM 2484 C C . VAL A 1 318 ? -1.136 40.925 14.278 1.00 79.25 ? 1010 VAL A C 1 \nATOM 2485 O O . VAL A 1 318 ? -1.857 40.676 15.248 1.00 78.35 ? 1010 VAL A O 1 \nATOM 2486 C CB . VAL A 1 318 ? 1.103 42.050 14.572 1.00 82.37 ? 1010 VAL A CB 1 \nATOM 2487 C CG1 . VAL A 1 318 ? 1.915 43.299 14.251 1.00 87.87 ? 1010 VAL A CG1 1 \nATOM 2488 C CG2 . VAL A 1 318 ? 1.248 41.678 16.045 1.00 79.77 ? 1010 VAL A CG2 1 \nATOM 2489 N N . VAL A 1 319 ? -0.963 40.087 13.251 1.00 68.99 ? 1011 VAL A N 1 \nATOM 2490 C CA . VAL A 1 319 ? -1.523 38.727 13.204 1.00 64.51 ? 1011 VAL A CA 1 \nATOM 2491 C C . VAL A 1 319 ? -0.404 37.704 12.973 1.00 77.21 ? 1011 VAL A C 1 \nATOM 2492 O O . VAL A 1 319 ? 0.322 37.780 11.976 1.00 67.63 ? 1011 VAL A O 1 \nATOM 2493 C CB . VAL A 1 319 ? -2.604 38.567 12.100 1.00 69.31 ? 1011 VAL A CB 1 \nATOM 2494 C CG1 . VAL A 1 319 ? -3.068 37.117 11.995 1.00 73.03 ? 1011 VAL A CG1 1 \nATOM 2495 C CG2 . VAL A 1 319 ? -3.800 39.476 12.359 1.00 60.85 ? 1011 VAL A CG2 1 \nATOM 2496 N N . ASP A 1 320 ? -0.283 36.751 13.898 1.00 78.10 ? 1012 ASP A N 1 \nATOM 2497 C CA . ASP A 1 320 ? 0.709 35.675 13.829 1.00 78.78 ? 1012 ASP A CA 1 \nATOM 2498 C C . ASP A 1 320 ? 0.619 34.932 12.495 1.00 74.28 ? 1012 ASP A C 1 \nATOM 2499 O O . ASP A 1 320 ? -0.485 34.665 12.006 1.00 66.35 ? 1012 ASP A O 1 \nATOM 2500 C CB . ASP A 1 320 ? 0.493 34.703 14.996 1.00 81.42 ? 1012 ASP A CB 1 \nATOM 2501 C CG . ASP A 1 320 ? 1.685 33.798 15.237 1.00 99.02 ? 1012 ASP A CG 1 \nATOM 2502 O OD1 . ASP A 1 320 ? 2.690 34.271 15.810 1.00 104.15 ? 1012 ASP A OD1 1 \nATOM 2503 O OD2 . ASP A 1 320 ? 1.608 32.606 14.874 1.00 101.05 ? 1012 ASP A OD2 1 \nATOM 2504 N N . ALA A 1 321 ? 1.772 34.604 11.907 1.00 52.96 ? 1013 ALA A N 1 \nATOM 2505 C CA . ALA A 1 321 ? 1.813 33.912 10.605 1.00 59.48 ? 1013 ALA A CA 1 \nATOM 2506 C C . ALA A 1 321 ? 1.024 32.597 10.556 1.00 67.96 ? 1013 ALA A C 1 \nATOM 2507 O O . ALA A 1 321 ? 0.465 32.243 9.508 1.00 66.31 ? 1013 ALA A O 1 \nATOM 2508 C CB . ALA A 1 321 ? 3.243 33.702 10.139 1.00 62.75 ? 1013 ALA A CB 1 \nATOM 2509 N N . ASP A 1 322 ? 0.985 31.884 11.684 1.00 59.70 ? 1014 ASP A N 1 \nATOM 2510 C CA . ASP A 1 322 ? 0.200 30.654 11.812 1.00 74.24 ? 1014 ASP A CA 1 \nATOM 2511 C C . ASP A 1 322 ? -1.300 30.913 11.667 1.00 74.57 ? 1014 ASP A C 1 \nATOM 2512 O O . ASP A 1 322 ? -2.018 30.130 11.040 1.00 82.55 ? 1014 ASP A O 1 \nATOM 2513 C CB . ASP A 1 322 ? 0.476 29.981 13.160 1.00 83.80 ? 1014 ASP A CB 1 \nATOM 2514 C CG . ASP A 1 322 ? 1.930 29.578 13.328 1.00 86.76 ? 1014 ASP A CG 1 \nATOM 2515 O OD1 . ASP A 1 322 ? 2.458 29.709 14.454 1.00 96.46 ? 1014 ASP A OD1 1 \nATOM 2516 O OD2 . ASP A 1 322 ? 2.546 29.131 12.339 1.00 92.15 ? 1014 ASP A OD2 1 \nATOM 2517 N N . GLU A 1 323 ? -1.762 32.013 12.255 1.00 69.63 ? 1015 GLU A N 1 \nATOM 2518 C CA . GLU A 1 323 ? -3.169 32.406 12.205 1.00 84.01 ? 1015 GLU A CA 1 \nATOM 2519 C C . GLU A 1 323 ? -3.563 32.965 10.830 1.00 81.26 ? 1015 GLU A C 1 \nATOM 2520 O O . GLU A 1 323 ? -4.711 32.817 10.401 1.00 75.65 ? 1015 GLU A O 1 \nATOM 2521 C CB . GLU A 1 323 ? -3.466 33.432 13.304 1.00 89.15 ? 1015 GLU A CB 1 \nATOM 2522 C CG . GLU A 1 323 ? -4.941 33.592 13.645 1.00 106.04 ? 1015 GLU A CG 1 \nATOM 2523 C CD . GLU A 1 323 ? -5.193 34.639 14.717 1.00 119.25 ? 1015 GLU A CD 1 \nATOM 2524 O OE1 . GLU A 1 323 ? -4.251 34.982 15.465 1.00 124.44 ? 1015 GLU A OE1 1 \nATOM 2525 O OE2 . GLU A 1 323 ? -6.342 35.119 14.814 1.00 124.84 ? 1015 GLU A OE2 1 \nATOM 2526 N N . TYR A 1 324 ? -2.609 33.605 10.154 1.00 71.06 ? 1016 TYR A N 1 \nATOM 2527 C CA . TYR A 1 324 ? -2.825 34.180 8.825 1.00 72.33 ? 1016 TYR A CA 1 \nATOM 2528 C C . TYR A 1 324 ? -2.791 33.132 7.709 1.00 74.97 ? 1016 TYR A C 1 \nATOM 2529 O O . TYR A 1 324 ? -3.570 33.223 6.756 1.00 81.17 ? 1016 TYR A O 1 \nATOM 2530 C CB . TYR A 1 324 ? -1.810 35.297 8.549 1.00 84.93 ? 1016 TYR A CB 1 \nATOM 2531 C CG . TYR A 1 324 ? -1.665 35.681 7.088 1.00 86.99 ? 1016 TYR A CG 1 \nATOM 2532 C CD1 . TYR A 1 324 ? -0.805 34.974 6.243 1.00 91.38 ? 1016 TYR A CD1 1 \nATOM 2533 C CD2 . TYR A 1 324 ? -2.379 36.754 6.552 1.00 79.32 ? 1016 TYR A CD2 1 \nATOM 2534 C CE1 . TYR A 1 324 ? -0.668 35.316 4.908 1.00 95.57 ? 1016 TYR A CE1 1 \nATOM 2535 C CE2 . TYR A 1 324 ? -2.244 37.108 5.217 1.00 82.46 ? 1016 TYR A CE2 1 \nATOM 2536 C CZ . TYR A 1 324 ? -1.387 36.385 4.400 1.00 97.13 ? 1016 TYR A CZ 1 \nATOM 2537 O OH . TYR A 1 324 ? -1.236 36.717 3.072 1.00 93.34 ? 1016 TYR A OH 1 \nATOM 2538 N N . LEU A 1 325 ? -1.889 32.157 7.823 1.00 79.31 ? 1017 LEU A N 1 \nATOM 2539 C CA . LEU A 1 325 ? -1.752 31.089 6.826 1.00 78.37 ? 1017 LEU A CA 1 \nATOM 2540 C C . LEU A 1 325 ? -2.418 29.794 7.290 1.00 79.78 ? 1017 LEU A C 1 \nATOM 2541 O O . LEU A 1 325 ? -3.584 29.532 6.982 1.00 86.61 ? 1017 LEU A O 1 \nATOM 2542 C CB . LEU A 1 325 ? -0.272 30.850 6.492 1.00 96.14 ? 1017 LEU A CB 1 \nATOM 2543 C CG . LEU A 1 325 ? 0.143 29.601 5.697 1.00 116.26 ? 1017 LEU A CG 1 \nATOM 2544 C CD1 . LEU A 1 325 ? -0.313 29.652 4.243 1.00 121.68 ? 1017 LEU A CD1 1 \nATOM 2545 C CD2 . LEU A 1 325 ? 1.648 29.383 5.783 1.00 110.27 ? 1017 LEU A CD2 1 \nHETATM 2546 C C1 . W32 B 2 . ? 17.523 28.990 5.798 1.00 31.51 ? 1101 W32 A C1 1 \nHETATM 2547 C C2 . W32 B 2 . ? 16.291 28.418 6.080 1.00 30.31 ? 1101 W32 A C2 1 \nHETATM 2548 C C3 . W32 B 2 . ? 17.399 32.400 11.069 1.00 27.58 ? 1101 W32 A C3 1 \nHETATM 2549 C C4 . W32 B 2 . ? 17.766 30.265 6.269 1.00 29.96 ? 1101 W32 A C4 1 \nHETATM 2550 C C5 . W32 B 2 . ? 17.620 31.995 9.772 1.00 28.42 ? 1101 W32 A C5 1 \nHETATM 2551 C C6 . W32 B 2 . ? 15.605 30.408 7.268 1.00 28.58 ? 1101 W32 A C6 1 \nHETATM 2552 C C7 . W32 B 2 . ? 15.786 33.991 10.313 1.00 27.15 ? 1101 W32 A C7 1 \nHETATM 2553 C C8 . W32 B 2 . ? 12.748 33.566 13.379 1.00 31.64 ? 1101 W32 A C8 1 \nHETATM 2554 C C9 . W32 B 2 . ? 14.942 34.492 14.574 1.00 35.19 ? 1101 W32 A C9 1 \nHETATM 2555 C C10 . W32 B 2 . ? 15.370 29.134 6.809 1.00 25.91 ? 1101 W32 A C10 1 \nHETATM 2556 C C11 . W32 B 2 . ? 16.480 33.398 11.352 1.00 28.93 ? 1101 W32 A C11 1 \nHETATM 2557 C C12 . W32 B 2 . ? 16.830 30.965 6.994 1.00 32.48 ? 1101 W32 A C12 1 \nHETATM 2558 C C13 . W32 B 2 . ? 16.923 32.597 8.743 1.00 27.90 ? 1101 W32 A C13 1 \nHETATM 2559 C C14 . W32 B 2 . ? 15.995 33.592 9.009 1.00 29.12 ? 1101 W32 A C14 1 \nHETATM 2560 C C15 . W32 B 2 . ? 13.699 34.562 15.192 1.00 29.35 ? 1101 W32 A C15 1 \nHETATM 2561 C C16 . W32 B 2 . ? 14.989 33.935 13.305 1.00 35.49 ? 1101 W32 A C16 1 \nHETATM 2562 C C17 . W32 B 2 . ? 16.163 35.029 15.170 1.00 34.55 ? 1101 W32 A C17 1 \nHETATM 2563 C C18 . W32 B 2 . ? 16.443 35.196 16.465 1.00 31.64 ? 1101 W32 A C18 1 \nHETATM 2564 C C19 . W32 B 2 . ? 17.734 35.864 16.810 1.00 41.85 ? 1101 W32 A C19 1 \nHETATM 2565 C C20 . W32 B 2 . ? 15.566 34.815 17.582 1.00 34.23 ? 1101 W32 A C20 1 \nHETATM 2566 C C21 . W32 B 2 . ? 14.310 35.640 17.409 1.00 33.52 ? 1101 W32 A C21 1 \nHETATM 2567 C C22 . W32 B 2 . ? 23.039 35.053 18.700 1.00 86.61 ? 1101 W32 A C22 1 \nHETATM 2568 C C23 . W32 B 2 . ? 20.048 36.322 16.157 1.00 53.53 ? 1101 W32 A C23 1 \nHETATM 2569 C C24 . W32 B 2 . ? 20.735 35.538 17.258 1.00 62.21 ? 1101 W32 A C24 1 \nHETATM 2570 C C25 . W32 B 2 . ? 14.038 28.522 7.120 1.00 27.55 ? 1101 W32 A C25 1 \nHETATM 2571 N N26 . W32 B 2 . ? 12.598 34.091 14.590 1.00 29.72 ? 1101 W32 A N26 1 \nHETATM 2572 N N27 . W32 B 2 . ? 13.891 33.461 12.695 1.00 32.32 ? 1101 W32 A N27 1 \nHETATM 2573 N N28 . W32 B 2 . ? 13.391 35.060 16.456 1.00 30.86 ? 1101 W32 A N28 1 \nHETATM 2574 N N29 . W32 B 2 . ? 16.248 33.857 12.650 1.00 28.23 ? 1101 W32 A N29 1 \nHETATM 2575 N N30 . W32 B 2 . ? 18.733 35.791 15.867 1.00 40.18 ? 1101 W32 A N30 1 \nHETATM 2576 O O31 . W32 B 2 . ? 17.835 36.482 17.860 1.00 50.74 ? 1101 W32 A O31 1 \nHETATM 2577 O O32 . W32 B 2 . ? 23.066 36.437 16.489 1.00 63.85 ? 1101 W32 A O32 1 \nHETATM 2578 O O33 . W32 B 2 . ? 21.997 37.443 18.557 1.00 81.42 ? 1101 W32 A O33 1 \nHETATM 2579 O O34 . W32 B 2 . ? 17.118 32.249 7.424 1.00 30.16 ? 1101 W32 A O34 1 \nHETATM 2580 F F35 . W32 B 2 . ? 14.097 27.611 8.115 1.00 35.13 ? 1101 W32 A F35 1 \nHETATM 2581 F F36 . W32 B 2 . ? 13.166 29.438 7.562 1.00 34.11 ? 1101 W32 A F36 1 \nHETATM 2582 F F37 . W32 B 2 . ? 13.559 27.856 6.039 1.00 32.07 ? 1101 W32 A F37 1 \nHETATM 2583 S S38 . W32 B 2 . ? 22.276 36.305 17.700 1.00 84.11 ? 1101 W32 A S38 1 \nHETATM 2584 CL CL1 . W32 B 2 . ? 15.137 34.343 7.702 1.00 34.16 ? 1101 W32 A CL1 1 \nHETATM 2585 S S . SO4 C 3 . ? 28.315 33.136 22.172 1.00 54.09 ? 1102 SO4 A S 1 \nHETATM 2586 O O1 . SO4 C 3 . ? 27.668 33.301 20.863 1.00 50.36 ? 1102 SO4 A O1 1 \nHETATM 2587 O O2 . SO4 C 3 . ? 29.746 33.509 22.064 1.00 60.30 ? 1102 SO4 A O2 1 \nHETATM 2588 O O3 . SO4 C 3 . ? 28.196 31.721 22.585 1.00 45.28 ? 1102 SO4 A O3 1 \nHETATM 2589 O O4 . SO4 C 3 . ? 27.636 33.973 23.182 1.00 70.80 ? 1102 SO4 A O4 1 \nHETATM 2590 O O . HOH D 4 . ? 18.952 33.681 13.748 1.00 30.72 ? 2001 HOH A O 1 \nHETATM 2591 O O . HOH D 4 . ? 35.442 12.036 9.937 1.00 30.09 ? 2002 HOH A O 1 \nHETATM 2592 O O . HOH D 4 . ? 24.978 20.704 10.598 1.00 31.13 ? 2003 HOH A O 1 \nHETATM 2593 O O . HOH D 4 . ? 34.337 20.372 15.165 1.00 28.11 ? 2004 HOH A O 1 \nHETATM 2594 O O . HOH D 4 . ? 6.509 21.354 -6.071 1.00 29.38 ? 2005 HOH A O 1 \nHETATM 2595 O O . HOH D 4 . ? 26.485 18.720 8.106 1.00 30.82 ? 2006 HOH A O 1 \nHETATM 2596 O O . HOH D 4 . ? 20.845 10.119 9.908 1.00 30.60 ? 2007 HOH A O 1 \nHETATM 2597 O O . HOH D 4 . ? 17.257 9.102 9.766 1.00 32.20 ? 2008 HOH A O 1 \nHETATM 2598 O O . HOH D 4 . ? 36.130 7.683 16.487 1.00 38.69 ? 2009 HOH A O 1 \nHETATM 2599 O O . HOH D 4 . ? 13.664 30.957 11.228 1.00 31.50 ? 2010 HOH A O 1 \nHETATM 2600 O O . HOH D 4 . ? 23.367 25.952 6.551 1.00 37.12 ? 2011 HOH A O 1 \nHETATM 2601 O O . HOH D 4 . ? 30.886 28.537 28.215 1.00 40.46 ? 2012 HOH A O 1 \nHETATM 2602 O O . HOH D 4 . ? 32.756 19.653 17.155 1.00 28.58 ? 2013 HOH A O 1 \nHETATM 2603 O O . HOH D 4 . ? 21.686 36.822 -11.628 1.00 56.11 ? 2014 HOH A O 1 \nHETATM 2604 O O . HOH D 4 . ? 39.487 7.019 16.025 1.00 50.43 ? 2015 HOH A O 1 \nHETATM 2605 O O . HOH D 4 . ? 24.717 27.461 19.113 1.00 29.62 ? 2016 HOH A O 1 \nHETATM 2606 O O . HOH D 4 . ? 26.919 27.315 22.960 1.00 32.92 ? 2017 HOH A O 1 \nHETATM 2607 O O . HOH D 4 . ? 21.677 19.209 0.486 1.00 37.84 ? 2018 HOH A O 1 \nHETATM 2608 O O . HOH D 4 . ? 8.443 31.994 19.416 1.00 35.04 ? 2019 HOH A O 1 \nHETATM 2609 O O . HOH D 4 . ? 17.135 42.163 -0.961 1.00 57.68 ? 2020 HOH A O 1 \nHETATM 2610 O O . HOH D 4 . ? 36.632 30.489 18.215 1.00 60.99 ? 2021 HOH A O 1 \nHETATM 2611 O O . HOH D 4 . ? 33.379 16.584 20.716 1.00 38.49 ? 2022 HOH A O 1 \nHETATM 2612 O O . HOH D 4 . ? 25.300 19.757 32.915 1.00 32.97 ? 2023 HOH A O 1 \nHETATM 2613 O O . HOH D 4 . ? 33.014 27.649 15.526 1.00 36.60 ? 2024 HOH A O 1 \nHETATM 2614 O O . HOH D 4 . ? 33.617 10.243 19.744 1.00 33.88 ? 2025 HOH A O 1 \nHETATM 2615 O O . HOH D 4 . ? 7.754 30.842 8.414 1.00 40.67 ? 2026 HOH A O 1 \nHETATM 2616 O O . HOH D 4 . ? 10.668 30.874 11.297 1.00 33.82 ? 2027 HOH A O 1 \nHETATM 2617 O O . HOH D 4 . ? 26.832 24.553 13.022 1.00 39.16 ? 2028 HOH A O 1 \nHETATM 2618 O O . HOH D 4 . ? 21.042 33.463 11.806 1.00 38.83 ? 2029 HOH A O 1 \nHETATM 2619 O O . HOH D 4 . ? 7.739 23.297 8.108 1.00 42.86 ? 2030 HOH A O 1 \nHETATM 2620 O O . HOH D 4 . ? 10.905 13.095 11.221 1.00 32.44 ? 2031 HOH A O 1 \nHETATM 2621 O O . HOH D 4 . ? 12.309 6.679 14.280 1.00 40.84 ? 2032 HOH A O 1 \nHETATM 2622 O O . HOH D 4 . ? 6.371 16.396 8.444 1.00 42.41 ? 2033 HOH A O 1 \nHETATM 2623 O O . HOH D 4 . ? 11.382 8.774 7.622 1.00 36.18 ? 2034 HOH A O 1 \nHETATM 2624 O O . HOH D 4 . ? 37.978 12.473 9.028 1.00 37.99 ? 2035 HOH A O 1 \nHETATM 2625 O O . HOH D 4 . ? 26.334 29.616 19.096 1.00 35.40 ? 2036 HOH A O 1 \nHETATM 2626 O O . HOH D 4 . ? 28.085 29.293 21.311 1.00 33.80 ? 2037 HOH A O 1 \nHETATM 2627 O O . HOH D 4 . ? 29.678 19.189 9.597 1.00 38.78 ? 2038 HOH A O 1 \nHETATM 2628 O O . HOH D 4 . ? 18.829 31.034 14.369 1.00 42.03 ? 2039 HOH A O 1 \nHETATM 2629 O O . HOH D 4 . ? 38.239 13.151 6.193 1.00 35.39 ? 2040 HOH A O 1 \nHETATM 2630 O O . HOH D 4 . ? 42.253 18.534 4.456 1.00 39.85 ? 2041 HOH A O 1 \nHETATM 2631 O O . HOH D 4 . ? 35.880 6.018 8.596 1.00 41.37 ? 2042 HOH A O 1 \nHETATM 2632 O O . HOH D 4 . ? 6.868 14.238 27.659 1.00 57.08 ? 2043 HOH A O 1 \nHETATM 2633 O O . HOH D 4 . ? 25.840 9.403 3.926 1.00 37.52 ? 2044 HOH A O 1 \nHETATM 2634 O O . HOH D 4 . ? 23.916 10.923 4.843 1.00 36.39 ? 2045 HOH A O 1 \nHETATM 2635 O O . HOH D 4 . ? 22.297 9.245 6.744 1.00 32.79 ? 2046 HOH A O 1 \nHETATM 2636 O O . HOH D 4 . ? 25.735 6.067 7.008 1.00 36.43 ? 2047 HOH A O 1 \nHETATM 2637 O O . HOH D 4 . ? 25.275 3.366 7.768 1.00 39.99 ? 2048 HOH A O 1 \nHETATM 2638 O O . HOH D 4 . ? 31.874 2.778 6.260 1.00 50.43 ? 2049 HOH A O 1 \nHETATM 2639 O O . HOH D 4 . ? 35.219 5.807 14.085 1.00 38.24 ? 2050 HOH A O 1 \nHETATM 2640 O O . HOH D 4 . ? 21.161 14.370 0.807 1.00 42.08 ? 2051 HOH A O 1 \nHETATM 2641 O O . HOH D 4 . ? 23.868 13.162 2.145 1.00 37.79 ? 2052 HOH A O 1 \nHETATM 2642 O O . HOH D 4 . ? 17.291 14.374 37.680 1.00 50.83 ? 2053 HOH A O 1 \nHETATM 2643 O O . HOH D 4 . ? 34.232 13.602 30.125 1.00 38.30 ? 2054 HOH A O 1 \nHETATM 2644 O O . HOH D 4 . ? 24.841 32.749 10.356 1.00 44.08 ? 2055 HOH A O 1 \nHETATM 2645 O O . HOH D 4 . ? 29.807 17.978 0.516 1.00 38.25 ? 2056 HOH A O 1 \nHETATM 2646 O O . HOH D 4 . ? 6.362 17.239 3.587 1.00 38.89 ? 2057 HOH A O 1 \nHETATM 2647 O O . HOH D 4 . ? 44.102 21.764 13.753 1.00 42.91 ? 2058 HOH A O 1 \nHETATM 2648 O O . HOH D 4 . ? 34.739 22.287 26.071 1.00 41.30 ? 2059 HOH A O 1 \nHETATM 2649 O O . HOH D 4 . ? 19.809 15.737 8.120 1.00 39.13 ? 2060 HOH A O 1 \nHETATM 2650 O O . HOH D 4 . ? 34.786 23.238 5.336 1.00 41.49 ? 2061 HOH A O 1 \nHETATM 2651 O O . HOH D 4 . ? 11.549 4.709 21.682 1.00 43.83 ? 2062 HOH A O 1 \nHETATM 2652 O O . HOH D 4 . ? 32.328 28.947 -3.320 1.00 46.43 ? 2063 HOH A O 1 \nHETATM 2653 O O . HOH D 4 . ? 15.198 32.353 23.952 1.00 39.56 ? 2064 HOH A O 1 \nHETATM 2654 O O . HOH D 4 . ? 27.994 8.896 5.683 1.00 34.43 ? 2065 HOH A O 1 \nHETATM 2655 O O . HOH D 4 . ? 7.938 16.137 22.485 1.00 51.73 ? 2066 HOH A O 1 \nHETATM 2656 O O . HOH D 4 . ? 6.882 48.187 -5.358 1.00 52.22 ? 2067 HOH A O 1 \nHETATM 2657 O O . HOH D 4 . ? 7.809 14.973 13.054 1.00 45.62 ? 2068 HOH A O 1 \nHETATM 2658 O O . HOH D 4 . ? 9.129 11.157 13.552 1.00 51.16 ? 2069 HOH A O 1 \nHETATM 2659 O O . HOH D 4 . ? 8.607 28.931 10.382 1.00 44.69 ? 2070 HOH A O 1 \nHETATM 2660 O O . HOH D 4 . ? 17.819 11.733 38.870 1.00 43.75 ? 2071 HOH A O 1 \nHETATM 2661 O O . HOH D 4 . ? 19.521 9.398 3.628 1.00 43.64 ? 2072 HOH A O 1 \nHETATM 2662 O O . HOH D 4 . ? 32.704 24.308 4.378 1.00 40.08 ? 2073 HOH A O 1 \nHETATM 2663 O O . HOH D 4 . ? 40.870 23.271 12.777 1.00 44.98 ? 2074 HOH A O 1 \nHETATM 2664 O O . HOH D 4 . ? 7.122 11.266 27.389 1.00 56.70 ? 2075 HOH A O 1 \nHETATM 2665 O O . HOH D 4 . ? 43.891 19.989 6.225 1.00 53.70 ? 2076 HOH A O 1 \nHETATM 2666 O O . HOH D 4 . ? 30.592 29.461 20.862 1.00 40.74 ? 2077 HOH A O 1 \nHETATM 2667 O O . HOH D 4 . ? 43.928 19.888 24.129 1.00 59.50 ? 2078 HOH A O 1 \nHETATM 2668 O O . HOH D 4 . ? 28.233 24.649 -1.481 1.00 49.45 ? 2079 HOH A O 1 \nHETATM 2669 O O . HOH D 4 . ? 37.537 9.737 20.442 1.00 49.24 ? 2080 HOH A O 1 \nHETATM 2670 O O . HOH D 4 . ? 26.400 4.566 16.784 1.00 49.49 ? 2081 HOH A O 1 \nHETATM 2671 O O . HOH D 4 . ? 9.514 5.252 19.588 1.00 60.51 ? 2082 HOH A O 1 \n# \nloop_\n_atom_site_anisotrop.id \n_atom_site_anisotrop.type_symbol \n_atom_site_anisotrop.pdbx_label_atom_id \n_atom_site_anisotrop.pdbx_label_alt_id \n_atom_site_anisotrop.pdbx_label_comp_id \n_atom_site_anisotrop.pdbx_label_asym_id \n_atom_site_anisotrop.pdbx_label_seq_id \n_atom_site_anisotrop.pdbx_PDB_ins_code \n_atom_site_anisotrop.U[1][1] \n_atom_site_anisotrop.U[2][2] \n_atom_site_anisotrop.U[3][3] \n_atom_site_anisotrop.U[1][2] \n_atom_site_anisotrop.U[1][3] \n_atom_site_anisotrop.U[2][3] \n_atom_site_anisotrop.pdbx_auth_seq_id \n_atom_site_anisotrop.pdbx_auth_comp_id \n_atom_site_anisotrop.pdbx_auth_asym_id \n_atom_site_anisotrop.pdbx_auth_atom_id \n1 N N . GLN A 9 ? 0.5420 0.5609 0.7188 0.0196 -0.0946 0.0018 701 GLN A N \n2 C CA . GLN A 9 ? 0.5718 0.6034 0.7606 0.0189 -0.0889 0.0026 701 GLN A CA \n3 C C . GLN A 9 ? 0.5291 0.5587 0.7054 0.0136 -0.0837 0.0025 701 GLN A C \n4 O O . GLN A 9 ? 0.5250 0.5624 0.7078 0.0121 -0.0798 0.0032 701 GLN A O \n5 C CB . GLN A 9 ? 0.7425 0.7772 0.9441 0.0183 -0.0959 0.0044 701 GLN A CB \n6 C CG . GLN A 9 ? 0.9845 1.0353 1.2070 0.0212 -0.0913 0.0051 701 GLN A CG \n7 C CD . GLN A 9 ? 1.2016 1.2555 1.4362 0.0193 -0.0983 0.0073 701 GLN A CD \n8 O OE1 . GLN A 9 ? 1.1085 1.1671 1.3582 0.0228 -0.1033 0.0080 701 GLN A OE1 \n9 N NE2 . GLN A 9 ? 1.1782 1.2293 1.4064 0.0139 -0.0989 0.0084 701 GLN A NE2 \n10 N N . ALA A 10 ? 0.5196 0.5388 0.6783 0.0110 -0.0835 0.0016 702 ALA A N \n11 C CA . ALA A 10 ? 0.4921 0.5092 0.6387 0.0066 -0.0783 0.0012 702 ALA A CA \n12 C C . ALA A 10 ? 0.5473 0.5756 0.7003 0.0082 -0.0688 0.0005 702 ALA A C \n13 O O . ALA A 10 ? 0.4974 0.5312 0.6570 0.0124 -0.0653 -0.0001 702 ALA A O \n14 C CB . ALA A 10 ? 0.4911 0.4965 0.6197 0.0041 -0.0793 0.0005 702 ALA A CB \n15 N N . LEU A 11 ? 0.4239 0.4548 0.5741 0.0049 -0.0649 0.0006 703 LEU A N \n16 C CA . LEU A 11 ? 0.4156 0.4550 0.5689 0.0058 -0.0563 0.0000 703 LEU A CA \n17 C C . LEU A 11 ? 0.4192 0.4552 0.5621 0.0060 -0.0523 -0.0012 703 LEU A C \n18 O O . LEU A 11 ? 0.4334 0.4749 0.5807 0.0091 -0.0473 -0.0019 703 LEU A O \n19 C CB . LEU A 11 ? 0.3930 0.4338 0.5436 0.0021 -0.0540 0.0002 703 LEU A CB \n20 C CG . LEU A 11 ? 0.5234 0.5745 0.6820 0.0032 -0.0469 0.0001 703 LEU A CG \n21 C CD1 . LEU A 11 ? 0.5515 0.6118 0.7256 0.0071 -0.0456 0.0008 703 LEU A CD1 \n22 C CD2 . LEU A 11 ? 0.4888 0.5405 0.6470 0.0000 -0.0470 0.0007 703 LEU A CD2 \n23 N N . LEU A 12 ? 0.3764 0.4028 0.5052 0.0025 -0.0546 -0.0015 704 LEU A N \n24 C CA . LEU A 12 ? 0.3710 0.3925 0.4891 0.0020 -0.0524 -0.0024 704 LEU A CA \n25 C C . LEU A 12 ? 0.3995 0.4124 0.5132 0.0031 -0.0588 -0.0022 704 LEU A C \n26 O O . LEU A 12 ? 0.4022 0.4059 0.5070 0.0000 -0.0643 -0.0017 704 LEU A O \n27 C CB . LEU A 12 ? 0.3820 0.3990 0.4875 -0.0028 -0.0503 -0.0028 704 LEU A CB \n28 C CG . LEU A 12 ? 0.4517 0.4647 0.5466 -0.0044 -0.0477 -0.0034 704 LEU A CG \n29 C CD1 . LEU A 12 ? 0.3941 0.4144 0.4944 -0.0015 -0.0418 -0.0040 704 LEU A CD1 \n30 C CD2 . LEU A 12 ? 0.4643 0.4734 0.5479 -0.0094 -0.0458 -0.0037 704 LEU A CD2 \n31 N N . ARG A 13 ? 0.4031 0.4183 0.5225 0.0076 -0.0582 -0.0027 705 ARG A N \n32 C CA . ARG A 13 ? 0.4373 0.4437 0.5524 0.0093 -0.0645 -0.0027 705 ARG A CA \n33 C C . ARG A 13 ? 0.4882 0.4845 0.5869 0.0059 -0.0653 -0.0029 705 ARG A C \n34 O O . ARG A 13 ? 0.4859 0.4841 0.5800 0.0050 -0.0597 -0.0034 705 ARG A O \n35 C CB . ARG A 13 ? 0.5446 0.5561 0.6704 0.0157 -0.0635 -0.0034 705 ARG A CB \n36 C CG . ARG A 13 ? 0.5619 0.5820 0.7045 0.0191 -0.0647 -0.0029 705 ARG A CG \n37 C CD . ARG A 13 ? 0.7699 0.7979 0.9236 0.0253 -0.0604 -0.0039 705 ARG A CD \n38 N NE . ARG A 13 ? 1.0335 1.0620 1.1977 0.0299 -0.0658 -0.0039 705 ARG A NE \n39 C CZ . ARG A 13 ? 1.1062 1.1447 1.2872 0.0325 -0.0657 -0.0033 705 ARG A CZ \n40 N NH1 . ARG A 13 ? 1.1689 1.2171 1.3574 0.0307 -0.0606 -0.0026 705 ARG A NH1 \n41 N NH2 . ARG A 13 ? 1.0971 1.1359 1.2879 0.0370 -0.0711 -0.0035 705 ARG A NH2 \n42 N N . ILE A 14 ? 0.4766 0.4618 0.5663 0.0037 -0.0725 -0.0023 706 ILE A N \n43 C CA . ILE A 14 ? 0.5346 0.5092 0.6083 0.0000 -0.0739 -0.0022 706 ILE A CA \n44 C C . ILE A 14 ? 0.5844 0.5540 0.6582 0.0043 -0.0776 -0.0026 706 ILE A C \n45 O O . ILE A 14 ? 0.5473 0.5111 0.6227 0.0063 -0.0849 -0.0023 706 ILE A O \n46 C CB . ILE A 14 ? 0.6555 0.6189 0.7171 -0.0052 -0.0798 -0.0012 706 ILE A CB \n47 C CG1 . ILE A 14 ? 0.6363 0.6039 0.6991 -0.0084 -0.0774 -0.0010 706 ILE A CG1 \n48 C CG2 . ILE A 14 ? 0.6817 0.6350 0.7265 -0.0098 -0.0802 -0.0009 706 ILE A CG2 \n49 C CD1 . ILE A 14 ? 0.5418 0.5176 0.6047 -0.0102 -0.0685 -0.0016 706 ILE A CD1 \n50 N N . LEU A 15 ? 0.5526 0.5242 0.6247 0.0058 -0.0729 -0.0033 707 LEU A N \n51 C CA . LEU A 15 ? 0.5596 0.5267 0.6320 0.0107 -0.0757 -0.0041 707 LEU A CA \n52 C C . LEU A 15 ? 0.6465 0.5998 0.7022 0.0070 -0.0803 -0.0035 707 LEU A C \n53 O O . LEU A 15 ? 0.6247 0.5756 0.6699 0.0014 -0.0776 -0.0029 707 LEU A O \n54 C CB . LEU A 15 ? 0.5854 0.5608 0.6642 0.0147 -0.0686 -0.0052 707 LEU A CB \n55 C CG . LEU A 15 ? 0.6627 0.6521 0.7566 0.0179 -0.0624 -0.0057 707 LEU A CG \n56 C CD1 . LEU A 15 ? 0.5197 0.5132 0.6153 0.0213 -0.0563 -0.0067 707 LEU A CD1 \n57 C CD2 . LEU A 15 ? 0.5352 0.5290 0.6428 0.0224 -0.0658 -0.0057 707 LEU A CD2 \n58 N N . LYS A 16 ? 0.6234 0.5679 0.6771 0.0102 -0.0874 -0.0037 708 LYS A N \n59 C CA . LYS A 16 ? 0.7895 0.7197 0.8274 0.0076 -0.0924 -0.0033 708 LYS A CA \n60 C C . LYS A 16 ? 0.6539 0.5843 0.6901 0.0106 -0.0888 -0.0042 708 LYS A C \n61 O O . LYS A 16 ? 0.5800 0.5184 0.6277 0.0170 -0.0853 -0.0056 708 LYS A O \n62 C CB . LYS A 16 ? 0.8027 0.7226 0.8395 0.0105 -0.1023 -0.0032 708 LYS A CB \n63 C CG . LYS A 16 ? 0.9974 0.9118 1.0307 0.0063 -0.1081 -0.0019 708 LYS A CG \n64 C CD . LYS A 16 ? 1.1801 1.0964 1.2267 0.0122 -0.1142 -0.0024 708 LYS A CD \n65 C CE . LYS A 16 ? 1.2334 1.1425 1.2810 0.0184 -0.1201 -0.0034 708 LYS A CE \n66 N NZ . LYS A 16 ? 1.2740 1.1877 1.3377 0.0248 -0.1251 -0.0040 708 LYS A NZ \n67 N N . GLU A 17 ? 0.6711 0.5923 0.6924 0.0058 -0.0897 -0.0034 709 GLU A N \n68 C CA . GLU A 17 ? 0.6996 0.6184 0.7165 0.0077 -0.0874 -0.0040 709 GLU A CA \n69 C C . GLU A 17 ? 0.7493 0.6645 0.7710 0.0160 -0.0908 -0.0057 709 GLU A C \n70 O O . GLU A 17 ? 0.6931 0.6115 0.7176 0.0203 -0.0865 -0.0070 709 GLU A O \n71 C CB . GLU A 17 ? 0.7825 0.6893 0.7817 0.0007 -0.0904 -0.0025 709 GLU A CB \n72 C CG . GLU A 17 ? 0.9433 0.8557 0.9387 -0.0067 -0.0849 -0.0012 709 GLU A CG \n73 C CD . GLU A 17 ? 1.2260 1.1279 1.2053 -0.0138 -0.0871 0.0004 709 GLU A CD \n74 O OE1 . GLU A 17 ? 1.0992 1.0038 1.0763 -0.0157 -0.0830 0.0006 709 GLU A OE1 \n75 O OE2 . GLU A 17 ? 1.3467 1.2373 1.3152 -0.0178 -0.0933 0.0015 709 GLU A OE2 \n76 N N . THR A 18 ? 0.7519 0.6602 0.7742 0.0185 -0.0984 -0.0058 710 THR A N \n77 C CA . THR A 18 ? 0.7982 0.7034 0.8264 0.0270 -0.1020 -0.0076 710 THR A CA \n78 C C . THR A 18 ? 0.6977 0.6180 0.7450 0.0341 -0.0960 -0.0093 710 THR A C \n79 O O . THR A 18 ? 0.7409 0.6612 0.7941 0.0417 -0.0962 -0.0111 710 THR A O \n80 C CB . THR A 18 ? 0.8306 0.7247 0.8558 0.0278 -0.1125 -0.0073 710 THR A CB \n81 O OG1 . THR A 18 ? 0.8246 0.7251 0.8581 0.0258 -0.1136 -0.0064 710 THR A OG1 \n82 C CG2 . THR A 18 ? 0.8237 0.7009 0.8285 0.0213 -0.1189 -0.0057 710 THR A CG2 \n83 N N . GLU A 19 ? 0.6396 0.5723 0.6959 0.0315 -0.0905 -0.0086 711 GLU A N \n84 C CA . GLU A 19 ? 0.7106 0.6578 0.7851 0.0369 -0.0850 -0.0096 711 GLU A CA \n85 C C . GLU A 19 ? 0.7201 0.6751 0.7975 0.0392 -0.0760 -0.0107 711 GLU A C \n86 O O . GLU A 19 ? 0.6446 0.6101 0.7356 0.0446 -0.0711 -0.0118 711 GLU A O \n87 C CB . GLU A 19 ? 0.7716 0.7278 0.8537 0.0328 -0.0834 -0.0083 711 GLU A CB \n88 C CG . GLU A 19 ? 0.7783 0.7312 0.8645 0.0327 -0.0914 -0.0076 711 GLU A CG \n89 C CD . GLU A 19 ? 0.7319 0.6940 0.8256 0.0290 -0.0891 -0.0064 711 GLU A CD \n90 O OE1 . GLU A 19 ? 0.6710 0.6268 0.7549 0.0226 -0.0923 -0.0050 711 GLU A OE1 \n91 O OE2 . GLU A 19 ? 0.9164 0.8915 1.0251 0.0323 -0.0839 -0.0068 711 GLU A OE2 \n92 N N . PHE A 20 ? 0.6126 0.5625 0.6772 0.0347 -0.0737 -0.0101 712 PHE A N \n93 C CA . PHE A 20 ? 0.6800 0.6359 0.7455 0.0360 -0.0658 -0.0109 712 PHE A CA \n94 C C . PHE A 20 ? 0.5750 0.5195 0.6252 0.0345 -0.0670 -0.0110 712 PHE A C \n95 O O . PHE A 20 ? 0.6289 0.5627 0.6669 0.0299 -0.0728 -0.0098 712 PHE A O \n96 C CB . PHE A 20 ? 0.5773 0.5442 0.6475 0.0312 -0.0596 -0.0098 712 PHE A CB \n97 C CG . PHE A 20 ? 0.5363 0.4987 0.5954 0.0230 -0.0611 -0.0082 712 PHE A CG \n98 C CD1 . PHE A 20 ? 0.6429 0.6038 0.6934 0.0194 -0.0577 -0.0077 712 PHE A CD1 \n99 C CD2 . PHE A 20 ? 0.5799 0.5395 0.6368 0.0188 -0.0658 -0.0070 712 PHE A CD2 \n100 C CE1 . PHE A 20 ? 0.5615 0.5195 0.6029 0.0119 -0.0584 -0.0062 712 PHE A CE1 \n101 C CE2 . PHE A 20 ? 0.5369 0.4926 0.5832 0.0113 -0.0663 -0.0056 712 PHE A CE2 \n102 C CZ . PHE A 20 ? 0.5934 0.5490 0.6327 0.0079 -0.0623 -0.0052 712 PHE A CZ \n103 N N . LYS A 21 ? 0.5851 0.5316 0.6355 0.0380 -0.0617 -0.0122 713 LYS A N \n104 C CA . LYS A 21 ? 0.5833 0.5185 0.6194 0.0373 -0.0630 -0.0123 713 LYS A CA \n105 C C . LYS A 21 ? 0.6357 0.5763 0.6708 0.0357 -0.0559 -0.0123 713 LYS A C \n106 O O . LYS A 21 ? 0.5776 0.5274 0.6223 0.0399 -0.0498 -0.0134 713 LYS A O \n107 C CB . LYS A 21 ? 0.6447 0.5718 0.6792 0.0452 -0.0657 -0.0145 713 LYS A CB \n108 C CG . LYS A 21 ? 0.7942 0.7120 0.8262 0.0470 -0.0744 -0.0146 713 LYS A CG \n109 C CD . LYS A 21 ? 1.0478 0.9594 1.0806 0.0561 -0.0762 -0.0172 713 LYS A CD \n110 C CE . LYS A 21 ? 0.9047 0.8099 0.9397 0.0592 -0.0846 -0.0176 713 LYS A CE \n111 N NZ . LYS A 21 ? 0.9764 0.8743 1.0113 0.0684 -0.0869 -0.0203 713 LYS A NZ \n112 N N . LYS A 22 ? 0.5503 0.4849 0.5736 0.0295 -0.0571 -0.0108 714 LYS A N \n113 C CA . LYS A 22 ? 0.5983 0.5351 0.6184 0.0278 -0.0520 -0.0106 714 LYS A CA \n114 C C . LYS A 22 ? 0.6513 0.5786 0.6641 0.0333 -0.0525 -0.0122 714 LYS A C \n115 O O . LYS A 22 ? 0.6188 0.5331 0.6207 0.0335 -0.0585 -0.0123 714 LYS A O \n116 C CB . LYS A 22 ? 0.6461 0.5793 0.6566 0.0193 -0.0539 -0.0085 714 LYS A CB \n117 C CG . LYS A 22 ? 0.6952 0.6366 0.7107 0.0133 -0.0530 -0.0070 714 LYS A CG \n118 C CD . LYS A 22 ? 0.6996 0.6380 0.7060 0.0055 -0.0538 -0.0050 714 LYS A CD \n119 C CE . LYS A 22 ? 0.6853 0.6286 0.6933 -0.0006 -0.0539 -0.0036 714 LYS A CE \n120 N NZ . LYS A 22 ? 0.6756 0.6102 0.6776 -0.0020 -0.0602 -0.0031 714 LYS A NZ \n121 N N . ILE A 23 ? 0.5442 0.4768 0.5619 0.0378 -0.0463 -0.0136 715 ILE A N \n122 C CA . ILE A 23 ? 0.6316 0.5552 0.6425 0.0440 -0.0459 -0.0155 715 ILE A CA \n123 C C . ILE A 23 ? 0.6970 0.6143 0.6965 0.0408 -0.0447 -0.0149 715 ILE A C \n124 O O . ILE A 23 ? 0.6679 0.5716 0.6544 0.0413 -0.0490 -0.0151 715 ILE A O \n125 C CB . ILE A 23 ? 0.5406 0.4724 0.5633 0.0520 -0.0400 -0.0178 715 ILE A CB \n126 C CG1 . ILE A 23 ? 0.7073 0.6422 0.7398 0.0555 -0.0433 -0.0184 715 ILE A CG1 \n127 C CG2 . ILE A 23 ? 0.6282 0.5509 0.6430 0.0584 -0.0381 -0.0200 715 ILE A CG2 \n128 C CD1 . ILE A 23 ? 0.6901 0.6334 0.7357 0.0635 -0.0382 -0.0205 715 ILE A CD1 \n129 N N . LYS A 24 ? 0.5733 0.5001 0.5776 0.0374 -0.0396 -0.0139 716 LYS A N \n130 C CA . LYS A 24 ? 0.5657 0.4877 0.5607 0.0338 -0.0389 -0.0130 716 LYS A CA \n131 C C . LYS A 24 ? 0.6018 0.5341 0.6025 0.0269 -0.0368 -0.0110 716 LYS A C \n132 O O . LYS A 24 ? 0.4912 0.4354 0.5038 0.0266 -0.0335 -0.0109 716 LYS A O \n133 C CB . LYS A 24 ? 0.5531 0.4736 0.5466 0.0395 -0.0335 -0.0148 716 LYS A CB \n134 C CG . LYS A 24 ? 0.6711 0.5791 0.6557 0.0463 -0.0353 -0.0170 716 LYS A CG \n135 C CD . LYS A 24 ? 0.6245 0.5165 0.5919 0.0436 -0.0409 -0.0163 716 LYS A CD \n136 C CE . LYS A 24 ? 0.6951 0.5734 0.6535 0.0494 -0.0453 -0.0182 716 LYS A CE \n137 N NZ . LYS A 24 ? 0.7803 0.6553 0.7373 0.0579 -0.0403 -0.0212 716 LYS A NZ \n138 N N . VAL A 25 ? 0.5479 0.4754 0.5403 0.0214 -0.0388 -0.0094 717 VAL A N \n139 C CA . VAL A 25 ? 0.5797 0.5165 0.5772 0.0155 -0.0366 -0.0077 717 VAL A CA \n140 C C . VAL A 25 ? 0.5679 0.5116 0.5711 0.0181 -0.0305 -0.0085 717 VAL A C \n141 O O . VAL A 25 ? 0.5561 0.4932 0.5533 0.0220 -0.0291 -0.0096 717 VAL A O \n142 C CB . VAL A 25 ? 0.6752 0.6053 0.6631 0.0090 -0.0408 -0.0057 717 VAL A CB \n143 C CG1 . VAL A 25 ? 0.6255 0.5664 0.6205 0.0036 -0.0382 -0.0043 717 VAL A CG1 \n144 C CG2 . VAL A 25 ? 0.6742 0.5969 0.6553 0.0054 -0.0469 -0.0046 717 VAL A CG2 \n145 N N . LEU A 26 ? 0.4854 0.4416 0.4993 0.0160 -0.0270 -0.0080 718 LEU A N \n146 C CA . LEU A 26 ? 0.4266 0.3884 0.4445 0.0169 -0.0220 -0.0082 718 LEU A CA \n147 C C . LEU A 26 ? 0.4798 0.4421 0.4950 0.0109 -0.0235 -0.0065 718 LEU A C \n148 O O . LEU A 26 ? 0.4640 0.4199 0.4720 0.0109 -0.0239 -0.0064 718 LEU A O \n149 C CB . LEU A 26 ? 0.4616 0.4357 0.4927 0.0189 -0.0172 -0.0088 718 LEU A CB \n150 C CG . LEU A 26 ? 0.4637 0.4379 0.4987 0.0254 -0.0155 -0.0105 718 LEU A CG \n151 C CD1 . LEU A 26 ? 0.4676 0.4540 0.5162 0.0267 -0.0118 -0.0107 718 LEU A CD1 \n152 C CD2 . LEU A 26 ? 0.5541 0.5213 0.5826 0.0304 -0.0128 -0.0119 718 LEU A CD2 \n153 N N . GLY A 27 ? 0.4649 0.4345 0.4857 0.0059 -0.0244 -0.0053 719 GLY A N \n154 C CA . GLY A 27 ? 0.5634 0.5350 0.5834 0.0002 -0.0257 -0.0037 719 GLY A CA \n155 C C . GLY A 27 ? 0.7203 0.7009 0.7474 -0.0045 -0.0258 -0.0027 719 GLY A C \n156 O O . GLY A 27 ? 0.6658 0.6516 0.6986 -0.0035 -0.0244 -0.0033 719 GLY A O \n157 N N . SER A 28 ? 0.6398 0.6221 0.6664 -0.0098 -0.0273 -0.0013 720 SER A N \n158 C CA . SER A 28 ? 0.6494 0.6406 0.6824 -0.0146 -0.0266 -0.0004 720 SER A CA \n159 C C . SER A 28 ? 0.6178 0.6193 0.6603 -0.0150 -0.0230 -0.0007 720 SER A C \n160 O O . SER A 28 ? 0.6850 0.6859 0.7279 -0.0127 -0.0220 -0.0010 720 SER A O \n161 C CB . SER A 28 ? 0.8048 0.7918 0.8320 -0.0206 -0.0306 0.0014 720 SER A CB \n162 O OG . SER A 28 ? 0.8620 0.8410 0.8816 -0.0214 -0.0339 0.0017 720 SER A OG \n163 N N . GLY A 29 ? 0.7044 0.7145 0.7535 -0.0178 -0.0213 -0.0006 721 GLY A N \n164 C CA . GLY A 29 ? 0.6960 0.7159 0.7542 -0.0182 -0.0182 -0.0010 721 GLY A CA \n165 C C . GLY A 29 ? 0.7718 0.7984 0.8338 -0.0230 -0.0176 -0.0004 721 GLY A C \n166 O O . GLY A 29 ? 0.7501 0.7733 0.8072 -0.0262 -0.0195 0.0004 721 GLY A O \n167 N N . ALA A 30 ? 0.8690 0.9047 0.9395 -0.0233 -0.0149 -0.0009 722 ALA A N \n168 C CA . ALA A 30 ? 0.8869 0.9301 0.9621 -0.0272 -0.0131 -0.0008 722 ALA A CA \n169 C C . ALA A 30 ? 0.8699 0.9124 0.9424 -0.0280 -0.0122 -0.0012 722 ALA A C \n170 O O . ALA A 30 ? 0.7110 0.7539 0.7811 -0.0325 -0.0124 -0.0004 722 ALA A O \n171 C CB . ALA A 30 ? 0.9124 0.9648 0.9971 -0.0259 -0.0102 -0.0019 722 ALA A CB \n172 N N . PHE A 31 ? 0.6621 0.7032 0.7351 -0.0240 -0.0114 -0.0024 723 PHE A N \n173 C CA . PHE A 31 ? 0.5373 0.5777 0.6084 -0.0245 -0.0110 -0.0028 723 PHE A CA \n174 C C . PHE A 31 ? 0.5787 0.6097 0.6414 -0.0245 -0.0145 -0.0021 723 PHE A C \n175 O O . PHE A 31 ? 0.5892 0.6180 0.6487 -0.0261 -0.0152 -0.0021 723 PHE A O \n176 C CB . PHE A 31 ? 0.6469 0.6917 0.7240 -0.0208 -0.0086 -0.0043 723 PHE A CB \n177 C CG . PHE A 31 ? 0.6439 0.6971 0.7285 -0.0209 -0.0054 -0.0051 723 PHE A CG \n178 C CD1 . PHE A 31 ? 0.5928 0.6492 0.6831 -0.0171 -0.0040 -0.0060 723 PHE A CD1 \n179 C CD2 . PHE A 31 ? 0.5779 0.6359 0.6639 -0.0247 -0.0038 -0.0051 723 PHE A CD2 \n180 C CE1 . PHE A 31 ? 0.6524 0.7156 0.7491 -0.0169 -0.0017 -0.0069 723 PHE A CE1 \n181 C CE2 . PHE A 31 ? 0.4985 0.5643 0.5918 -0.0241 -0.0010 -0.0061 723 PHE A CE2 \n182 C CZ . PHE A 31 ? 0.5596 0.6275 0.6580 -0.0201 -0.0003 -0.0071 723 PHE A CZ \n183 N N . GLY A 32 ? 0.5278 0.5523 0.5863 -0.0227 -0.0170 -0.0017 724 GLY A N \n184 C CA . GLY A 32 ? 0.3769 0.3919 0.4274 -0.0221 -0.0207 -0.0012 724 GLY A CA \n185 C C . GLY A 32 ? 0.5134 0.5215 0.5601 -0.0181 -0.0225 -0.0014 724 GLY A C \n186 O O . GLY A 32 ? 0.5802 0.5901 0.6294 -0.0165 -0.0212 -0.0016 724 GLY A O \n187 N N . THR A 33 ? 0.4764 0.4762 0.5170 -0.0163 -0.0257 -0.0015 725 THR A N \n188 C CA . THR A 33 ? 0.4823 0.4736 0.5174 -0.0124 -0.0278 -0.0018 725 THR A CA \n189 C C . THR A 33 ? 0.4780 0.4682 0.5160 -0.0063 -0.0273 -0.0033 725 THR A C \n190 O O . THR A 33 ? 0.4210 0.4104 0.4595 -0.0061 -0.0289 -0.0034 725 THR A O \n191 C CB . THR A 33 ? 0.6312 0.6119 0.6553 -0.0156 -0.0328 -0.0006 725 THR A CB \n192 O OG1 . THR A 33 ? 0.5929 0.5754 0.6155 -0.0214 -0.0332 0.0009 725 THR A OG1 \n193 C CG2 . THR A 33 ? 0.5708 0.5414 0.5880 -0.0112 -0.0352 -0.0012 725 THR A CG2 \n194 N N . VAL A 34 ? 0.4022 0.3916 0.4414 -0.0015 -0.0253 -0.0042 726 VAL A N \n195 C CA . VAL A 34 ? 0.4419 0.4323 0.4860 0.0044 -0.0238 -0.0057 726 VAL A CA \n196 C C . VAL A 34 ? 0.4252 0.4055 0.4621 0.0088 -0.0260 -0.0065 726 VAL A C \n197 O O . VAL A 34 ? 0.4311 0.4047 0.4604 0.0087 -0.0268 -0.0063 726 VAL A O \n198 C CB . VAL A 34 ? 0.4085 0.4075 0.4612 0.0070 -0.0185 -0.0063 726 VAL A CB \n199 C CG1 . VAL A 34 ? 0.4253 0.4273 0.4848 0.0124 -0.0167 -0.0075 726 VAL A CG1 \n200 C CG2 . VAL A 34 ? 0.4510 0.4591 0.5102 0.0031 -0.0167 -0.0058 726 VAL A CG2 \n201 N N . TYR A 35 ? 0.4224 0.4013 0.4619 0.0127 -0.0273 -0.0074 727 TYR A N \n202 C CA . TYR A 35 ? 0.4083 0.3779 0.4422 0.0178 -0.0295 -0.0085 727 TYR A CA \n203 C C . TYR A 35 ? 0.4640 0.4392 0.5073 0.0243 -0.0258 -0.0101 727 TYR A C \n204 O O . TYR A 35 ? 0.4261 0.4106 0.4799 0.0244 -0.0240 -0.0100 727 TYR A O \n205 C CB . TYR A 35 ? 0.4395 0.4011 0.4676 0.0166 -0.0357 -0.0082 727 TYR A CB \n206 C CG . TYR A 35 ? 0.5156 0.4718 0.5346 0.0096 -0.0396 -0.0064 727 TYR A CG \n207 C CD1 . TYR A 35 ? 0.5819 0.5260 0.5887 0.0087 -0.0437 -0.0060 727 TYR A CD1 \n208 C CD2 . TYR A 35 ? 0.6136 0.5765 0.6360 0.0038 -0.0390 -0.0051 727 TYR A CD2 \n209 C CE1 . TYR A 35 ? 0.5355 0.4751 0.5344 0.0016 -0.0471 -0.0040 727 TYR A CE1 \n210 C CE2 . TYR A 35 ? 0.5874 0.5464 0.6021 -0.0027 -0.0417 -0.0034 727 TYR A CE2 \n211 C CZ . TYR A 35 ? 0.6596 0.6072 0.6630 -0.0041 -0.0458 -0.0027 727 TYR A CZ \n212 O OH . TYR A 35 ? 0.5373 0.4816 0.5337 -0.0112 -0.0485 -0.0007 727 TYR A OH \n213 N N . LYS A 36 ? 0.3901 0.3594 0.4296 0.0297 -0.0248 -0.0115 728 LYS A N \n214 C CA . LYS A 36 ? 0.4303 0.4034 0.4782 0.0365 -0.0220 -0.0132 728 LYS A CA \n215 C C . LYS A 36 ? 0.4869 0.4551 0.5348 0.0384 -0.0277 -0.0136 728 LYS A C \n216 O O . LYS A 36 ? 0.5013 0.4585 0.5382 0.0369 -0.0330 -0.0133 728 LYS A O \n217 C CB . LYS A 36 ? 0.5029 0.4705 0.5455 0.0419 -0.0186 -0.0148 728 LYS A CB \n218 C CG . LYS A 36 ? 0.6256 0.5983 0.6778 0.0491 -0.0145 -0.0167 728 LYS A CG \n219 C CD . LYS A 36 ? 0.5212 0.4864 0.5657 0.0546 -0.0112 -0.0185 728 LYS A CD \n220 C CE . LYS A 36 ? 0.6339 0.5857 0.6682 0.0579 -0.0166 -0.0198 728 LYS A CE \n221 N NZ . LYS A 36 ? 0.6462 0.5889 0.6706 0.0629 -0.0134 -0.0216 728 LYS A NZ \n222 N N . GLY A 37 ? 0.4750 0.4507 0.5347 0.0415 -0.0271 -0.0141 729 GLY A N \n223 C CA . GLY A 37 ? 0.4963 0.4672 0.5566 0.0434 -0.0331 -0.0144 729 GLY A CA \n224 C C . GLY A 37 ? 0.4489 0.4271 0.5229 0.0495 -0.0317 -0.0156 729 GLY A C \n225 O O . GLY A 37 ? 0.3944 0.3817 0.4776 0.0524 -0.0254 -0.0163 729 GLY A O \n226 N N . LEU A 38 ? 0.5185 0.4925 0.5939 0.0512 -0.0379 -0.0158 730 LEU A N \n227 C CA . LEU A 38 ? 0.4975 0.4788 0.5874 0.0564 -0.0380 -0.0167 730 LEU A CA \n228 C C . LEU A 38 ? 0.4499 0.4324 0.5437 0.0525 -0.0441 -0.0152 730 LEU A C \n229 O O . LEU A 38 ? 0.5295 0.5021 0.6126 0.0486 -0.0504 -0.0143 730 LEU A O \n230 C CB . LEU A 38 ? 0.6831 0.6574 0.7722 0.0642 -0.0403 -0.0189 730 LEU A CB \n231 C CG . LEU A 38 ? 0.6703 0.6452 0.7594 0.0704 -0.0335 -0.0210 730 LEU A CG \n232 C CD1 . LEU A 38 ? 0.6819 0.6476 0.7684 0.0779 -0.0372 -0.0233 730 LEU A CD1 \n233 C CD2 . LEU A 38 ? 0.7618 0.7519 0.8667 0.0729 -0.0256 -0.0212 730 LEU A CD2 \n234 N N . TRP A 39 ? 0.5003 0.4945 0.6088 0.0531 -0.0421 -0.0147 731 TRP A N \n235 C CA . TRP A 39 ? 0.4490 0.4439 0.5620 0.0503 -0.0481 -0.0135 731 TRP A CA \n236 C C . TRP A 39 ? 0.5233 0.5204 0.6484 0.0570 -0.0516 -0.0145 731 TRP A C \n237 O O . TRP A 39 ? 0.4699 0.4773 0.6087 0.0618 -0.0466 -0.0154 731 TRP A O \n238 C CB . TRP A 39 ? 0.5252 0.5302 0.6450 0.0454 -0.0449 -0.0119 731 TRP A CB \n239 C CG . TRP A 39 ? 0.5772 0.5833 0.7026 0.0430 -0.0508 -0.0107 731 TRP A CG \n240 C CD1 . TRP A 39 ? 0.6799 0.6758 0.7979 0.0410 -0.0591 -0.0102 731 TRP A CD1 \n241 C CD2 . TRP A 39 ? 0.6790 0.6959 0.8175 0.0419 -0.0494 -0.0097 731 TRP A CD2 \n242 N NE1 . TRP A 39 ? 0.7321 0.7315 0.8574 0.0390 -0.0629 -0.0090 731 TRP A NE1 \n243 C CE2 . TRP A 39 ? 0.6477 0.6600 0.7859 0.0395 -0.0572 -0.0087 731 TRP A CE2 \n244 C CE3 . TRP A 39 ? 0.5756 0.6048 0.7253 0.0425 -0.0426 -0.0095 731 TRP A CE3 \n245 C CZ2 . TRP A 39 ? 0.7745 0.7940 0.9232 0.0378 -0.0586 -0.0075 731 TRP A CZ2 \n246 C CZ3 . TRP A 39 ? 0.6856 0.7224 0.8462 0.0407 -0.0439 -0.0082 731 TRP A CZ3 \n247 C CH2 . TRP A 39 ? 0.7032 0.7351 0.8634 0.0385 -0.0519 -0.0073 731 TRP A CH2 \n248 N N . ILE A 40 ? 0.5550 0.5420 0.6747 0.0570 -0.0602 -0.0144 732 ILE A N \n249 C CA . ILE A 40 ? 0.6524 0.6397 0.7827 0.0628 -0.0656 -0.0152 732 ILE A CA \n250 C C . ILE A 40 ? 0.6218 0.6096 0.7559 0.0582 -0.0721 -0.0133 732 ILE A C \n251 O O . ILE A 40 ? 0.7091 0.6851 0.8313 0.0545 -0.0795 -0.0125 732 ILE A O \n252 C CB . ILE A 40 ? 0.6609 0.6339 0.7807 0.0668 -0.0715 -0.0167 732 ILE A CB \n253 C CG1 . ILE A 40 ? 0.6670 0.6368 0.7788 0.0699 -0.0655 -0.0183 732 ILE A CG1 \n254 C CG2 . ILE A 40 ? 0.8103 0.7845 0.9428 0.0741 -0.0766 -0.0179 732 ILE A CG2 \n255 C CD1 . ILE A 40 ? 0.7342 0.6869 0.8274 0.0689 -0.0711 -0.0187 732 ILE A CD1 \n256 N N . PRO A 41 ? 0.6345 0.6352 0.7837 0.0579 -0.0693 -0.0125 733 PRO A N \n257 C CA . PRO A 41 ? 0.6905 0.6909 0.8432 0.0539 -0.0760 -0.0107 733 PRO A CA \n258 C C . PRO A 41 ? 0.7821 0.7723 0.9336 0.0569 -0.0862 -0.0110 733 PRO A C \n259 O O . PRO A 41 ? 0.5827 0.5737 0.7418 0.0643 -0.0870 -0.0127 733 PRO A O \n260 C CB . PRO A 41 ? 0.7509 0.7670 0.9231 0.0557 -0.0718 -0.0102 733 PRO A CB \n261 C CG . PRO A 41 ? 0.7176 0.7419 0.8915 0.0570 -0.0612 -0.0110 733 PRO A CG \n262 C CD . PRO A 41 ? 0.7353 0.7505 0.8981 0.0607 -0.0602 -0.0129 733 PRO A CD \n263 N N . GLU A 42 ? 0.8490 0.8293 0.9904 0.0513 -0.0939 -0.0095 734 GLU A N \n264 C CA . GLU A 42 ? 1.1664 1.1326 1.3001 0.0526 -0.1043 -0.0097 734 GLU A CA \n265 C C . GLU A 42 ? 1.1970 1.1660 1.3464 0.0603 -0.1098 -0.0106 734 GLU A C \n266 O O . GLU A 42 ? 1.1585 1.1211 1.3061 0.0661 -0.1124 -0.0124 734 GLU A O \n267 C CB . GLU A 42 ? 1.3563 1.3120 1.4768 0.0446 -0.1111 -0.0076 734 GLU A CB \n268 C CG . GLU A 42 ? 1.5131 1.4771 1.6415 0.0403 -0.1102 -0.0060 734 GLU A CG \n269 C CD . GLU A 42 ? 1.7189 1.6734 1.8304 0.0316 -0.1126 -0.0044 734 GLU A CD \n270 O OE1 . GLU A 42 ? 1.6803 1.6203 1.7788 0.0290 -0.1208 -0.0037 734 GLU A OE1 \n271 O OE2 . GLU A 42 ? 1.6609 1.6224 1.7719 0.0273 -0.1061 -0.0038 734 GLU A OE2 \n272 N N . GLY A 43 ? 0.9273 0.9058 1.0924 0.0604 -0.1116 -0.0096 735 GLY A N \n273 C CA . GLY A 43 ? 1.2413 1.2231 1.4229 0.0671 -0.1178 -0.0102 735 GLY A CA \n274 C C . GLY A 43 ? 1.1310 1.1278 1.3312 0.0750 -0.1099 -0.0120 735 GLY A C \n275 O O . GLY A 43 ? 1.0334 1.0323 1.2459 0.0823 -0.1135 -0.0134 735 GLY A O \n276 N N . GLU A 44 ? 1.0028 1.0097 1.2045 0.0734 -0.0990 -0.0121 736 GLU A N \n277 C CA . GLU A 44 ? 0.9093 0.9317 1.1285 0.0795 -0.0901 -0.0134 736 GLU A CA \n278 C C . GLU A 44 ? 0.9792 0.9973 1.1934 0.0864 -0.0861 -0.0162 736 GLU A C \n279 O O . GLU A 44 ? 0.9644 0.9675 1.1617 0.0861 -0.0908 -0.0170 736 GLU A O \n280 C CB . GLU A 44 ? 0.9439 0.9772 1.1652 0.0745 -0.0808 -0.0121 736 GLU A CB \n281 C CG . GLU A 44 ? 0.8991 0.9310 1.1169 0.0664 -0.0852 -0.0095 736 GLU A CG \n282 C CD . GLU A 44 ? 1.0263 1.0690 1.2476 0.0620 -0.0768 -0.0083 736 GLU A CD \n283 O OE1 . GLU A 44 ? 0.9260 0.9636 1.1353 0.0550 -0.0774 -0.0070 736 GLU A OE1 \n284 O OE2 . GLU A 44 ? 1.1291 1.1851 1.3650 0.0654 -0.0695 -0.0087 736 GLU A OE2 \n285 N N . LYS A 45 ? 0.8575 0.8882 1.0857 0.0924 -0.0776 -0.0177 737 LYS A N \n286 C CA . LYS A 45 ? 1.0232 1.0497 1.2471 0.0998 -0.0737 -0.0207 737 LYS A CA \n287 C C . LYS A 45 ? 1.1394 1.1733 1.3618 0.1003 -0.0610 -0.0216 737 LYS A C \n288 O O . LYS A 45 ? 1.2995 1.3415 1.5326 0.1074 -0.0543 -0.0236 737 LYS A O \n289 C CB . LYS A 45 ? 1.2102 1.2412 1.4514 0.1091 -0.0770 -0.0226 737 LYS A CB \n290 C CG . LYS A 45 ? 1.3034 1.3224 1.5417 0.1099 -0.0906 -0.0223 737 LYS A CG \n291 C CD . LYS A 45 ? 1.4089 1.4304 1.6623 0.1205 -0.0938 -0.0249 737 LYS A CD \n292 C CE . LYS A 45 ? 1.4770 1.4851 1.7159 0.1267 -0.0934 -0.0280 737 LYS A CE \n293 N NZ . LYS A 45 ? 1.4929 1.5040 1.7476 0.1378 -0.0964 -0.0308 737 LYS A NZ \n294 N N . VAL A 46 ? 0.9539 0.9849 1.1628 0.0928 -0.0578 -0.0201 738 VAL A N \n295 C CA . VAL A 46 ? 0.8091 0.8451 1.0140 0.0922 -0.0468 -0.0207 738 VAL A CA \n296 C C . VAL A 46 ? 0.7822 0.8057 0.9646 0.0868 -0.0466 -0.0204 738 VAL A C \n297 O O . VAL A 46 ? 0.5589 0.5726 0.7300 0.0814 -0.0537 -0.0191 738 VAL A O \n298 C CB . VAL A 46 ? 0.8603 0.9119 1.0784 0.0884 -0.0403 -0.0188 738 VAL A CB \n299 C CG1 . VAL A 46 ? 0.9984 1.0644 1.2397 0.0942 -0.0378 -0.0193 738 VAL A CG1 \n300 C CG2 . VAL A 46 ? 0.7309 0.7814 0.9458 0.0800 -0.0457 -0.0161 738 VAL A CG2 \n301 N N . LYS A 47 ? 0.6855 0.7094 0.8618 0.0882 -0.0382 -0.0216 739 LYS A N \n302 C CA . LYS A 47 ? 0.7141 0.7284 0.8714 0.0831 -0.0369 -0.0211 739 LYS A CA \n303 C C . LYS A 47 ? 0.5750 0.5997 0.7355 0.0789 -0.0285 -0.0199 739 LYS A C \n304 O O . LYS A 47 ? 0.5541 0.5880 0.7239 0.0827 -0.0208 -0.0208 739 LYS A O \n305 C CB . LYS A 47 ? 0.6464 0.6502 0.7920 0.0884 -0.0352 -0.0236 739 LYS A CB \n306 C CG . LYS A 47 ? 0.8120 0.8031 0.9515 0.0926 -0.0439 -0.0249 739 LYS A CG \n307 C CD . LYS A 47 ? 0.8257 0.8089 0.9573 0.0996 -0.0407 -0.0278 739 LYS A CD \n308 C CE . LYS A 47 ? 0.8535 0.8206 0.9739 0.1026 -0.0498 -0.0290 739 LYS A CE \n309 N NZ . LYS A 47 ? 0.7836 0.7417 0.8942 0.1091 -0.0464 -0.0319 739 LYS A NZ \n310 N N . ILE A 48 ? 0.6242 0.6472 0.7771 0.0711 -0.0299 -0.0179 740 ILE A N \n311 C CA . ILE A 48 ? 0.4873 0.5194 0.6429 0.0670 -0.0229 -0.0167 740 ILE A CA \n312 C C . ILE A 48 ? 0.4382 0.4622 0.5770 0.0627 -0.0210 -0.0165 740 ILE A C \n313 O O . ILE A 48 ? 0.4231 0.4389 0.5512 0.0581 -0.0264 -0.0156 740 ILE A O \n314 C CB . ILE A 48 ? 0.5364 0.5760 0.7005 0.0616 -0.0255 -0.0145 740 ILE A CB \n315 C CG1 . ILE A 48 ? 0.4896 0.5371 0.6711 0.0655 -0.0282 -0.0144 740 ILE A CG1 \n316 C CG2 . ILE A 48 ? 0.4709 0.5188 0.6372 0.0575 -0.0187 -0.0134 740 ILE A CG2 \n317 C CD1 . ILE A 48 ? 0.5101 0.5589 0.6957 0.0605 -0.0348 -0.0124 740 ILE A CD1 \n318 N N . PRO A 49 ? 0.4620 0.4882 0.5985 0.0642 -0.0135 -0.0173 741 PRO A N \n319 C CA . PRO A 49 ? 0.4508 0.4699 0.5724 0.0601 -0.0119 -0.0169 741 PRO A CA \n320 C C . PRO A 49 ? 0.4429 0.4656 0.5636 0.0525 -0.0129 -0.0148 741 PRO A C \n321 O O . PRO A 49 ? 0.4329 0.4659 0.5639 0.0508 -0.0097 -0.0138 741 PRO A O \n322 C CB . PRO A 49 ? 0.4452 0.4677 0.5675 0.0633 -0.0035 -0.0179 741 PRO A CB \n323 C CG . PRO A 49 ? 0.4767 0.5061 0.6123 0.0703 -0.0007 -0.0193 741 PRO A CG \n324 C CD . PRO A 49 ? 0.4725 0.5084 0.6204 0.0690 -0.0059 -0.0182 741 PRO A CD \n325 N N . VAL A 50 ? 0.4513 0.4652 0.5597 0.0480 -0.0172 -0.0141 742 VAL A N \n326 C CA . VAL A 50 ? 0.4420 0.4583 0.5484 0.0411 -0.0184 -0.0124 742 VAL A CA \n327 C C . VAL A 50 ? 0.4083 0.4179 0.5016 0.0373 -0.0178 -0.0121 742 VAL A C \n328 O O . VAL A 50 ? 0.4027 0.4032 0.4862 0.0391 -0.0190 -0.0129 742 VAL A O \n329 C CB . VAL A 50 ? 0.4323 0.4458 0.5388 0.0383 -0.0254 -0.0116 742 VAL A CB \n330 C CG1 . VAL A 50 ? 0.4662 0.4876 0.5870 0.0410 -0.0263 -0.0115 742 VAL A CG1 \n331 C CG2 . VAL A 50 ? 0.4472 0.4481 0.5425 0.0390 -0.0314 -0.0120 742 VAL A CG2 \n332 N N . ALA A 51 ? 0.3559 0.3703 0.4495 0.0322 -0.0161 -0.0109 743 ALA A N \n333 C CA . ALA A 51 ? 0.3627 0.3718 0.4456 0.0275 -0.0169 -0.0102 743 ALA A CA \n334 C C . ALA A 51 ? 0.3415 0.3486 0.4217 0.0227 -0.0219 -0.0092 743 ALA A C \n335 O O . ALA A 51 ? 0.3424 0.3548 0.4298 0.0218 -0.0229 -0.0088 743 ALA A O \n336 C CB . ALA A 51 ? 0.3176 0.3334 0.4030 0.0252 -0.0120 -0.0098 743 ALA A CB \n337 N N . ILE A 52 ? 0.3550 0.3537 0.4241 0.0195 -0.0252 -0.0087 744 ILE A N \n338 C CA . ILE A 52 ? 0.3208 0.3162 0.3852 0.0146 -0.0296 -0.0077 744 ILE A CA \n339 C C . ILE A 52 ? 0.3993 0.3946 0.4576 0.0089 -0.0285 -0.0067 744 ILE A C \n340 O O . ILE A 52 ? 0.3874 0.3772 0.4385 0.0086 -0.0287 -0.0066 744 ILE A O \n341 C CB . ILE A 52 ? 0.3975 0.3817 0.4537 0.0157 -0.0355 -0.0078 744 ILE A CB \n342 C CG1 . ILE A 52 ? 0.4130 0.3977 0.4766 0.0219 -0.0369 -0.0089 744 ILE A CG1 \n343 C CG2 . ILE A 52 ? 0.4103 0.3898 0.4598 0.0098 -0.0399 -0.0065 744 ILE A CG2 \n344 C CD1 . ILE A 52 ? 0.5386 0.5119 0.5948 0.0249 -0.0422 -0.0096 744 ILE A CD1 \n345 N N . LYS A 53 ? 0.3721 0.3735 0.4336 0.0048 -0.0272 -0.0060 745 LYS A N \n346 C CA . LYS A 53 ? 0.3851 0.3878 0.4425 -0.0005 -0.0259 -0.0052 745 LYS A CA \n347 C C . LYS A 53 ? 0.4788 0.4769 0.5293 -0.0056 -0.0295 -0.0042 745 LYS A C \n348 O O . LYS A 53 ? 0.4724 0.4724 0.5253 -0.0068 -0.0302 -0.0042 745 LYS A O \n349 C CB . LYS A 53 ? 0.3374 0.3504 0.4031 -0.0012 -0.0212 -0.0054 745 LYS A CB \n350 C CG . LYS A 53 ? 0.3772 0.3928 0.4406 -0.0058 -0.0196 -0.0047 745 LYS A CG \n351 C CD . LYS A 53 ? 0.3706 0.3945 0.4416 -0.0046 -0.0153 -0.0052 745 LYS A CD \n352 C CE . LYS A 53 ? 0.4141 0.4407 0.4840 -0.0085 -0.0141 -0.0047 745 LYS A CE \n353 N NZ . LYS A 53 ? 0.4602 0.4932 0.5365 -0.0069 -0.0107 -0.0052 745 LYS A NZ \n354 N N . GLU A 54 ? 0.4315 0.4227 0.4729 -0.0089 -0.0318 -0.0033 746 GLU A N \n355 C CA . GLU A 54 ? 0.4188 0.4055 0.4525 -0.0149 -0.0345 -0.0020 746 GLU A CA \n356 C C . GLU A 54 ? 0.5190 0.5125 0.5540 -0.0199 -0.0310 -0.0014 746 GLU A C \n357 O O . GLU A 54 ? 0.5046 0.4993 0.5396 -0.0204 -0.0298 -0.0010 746 GLU A O \n358 C CB . GLU A 54 ? 0.4863 0.4613 0.5092 -0.0159 -0.0395 -0.0012 746 GLU A CB \n359 C CG . GLU A 54 ? 0.5544 0.5226 0.5684 -0.0215 -0.0433 0.0000 746 GLU A CG \n360 C CD . GLU A 54 ? 0.7303 0.6852 0.7338 -0.0210 -0.0494 0.0005 746 GLU A CD \n361 O OE1 . GLU A 54 ? 0.7859 0.7363 0.7852 -0.0204 -0.0505 0.0007 746 GLU A OE1 \n362 O OE2 . GLU A 54 ? 0.7327 0.6809 0.7318 -0.0211 -0.0537 0.0006 746 GLU A OE2 \n363 N N . LEU A 55 ? 0.5468 0.5442 0.5829 -0.0234 -0.0295 -0.0012 747 LEU A N \n364 C CA . LEU A 55 ? 0.6078 0.6135 0.6476 -0.0269 -0.0253 -0.0010 747 LEU A CA \n365 C C . LEU A 55 ? 0.7493 0.7523 0.7821 -0.0331 -0.0262 0.0004 747 LEU A C \n366 O O . LEU A 55 ? 0.6291 0.6230 0.6528 -0.0357 -0.0302 0.0015 747 LEU A O \n367 C CB . LEU A 55 ? 0.5203 0.5318 0.5645 -0.0275 -0.0226 -0.0018 747 LEU A CB \n368 C CG . LEU A 55 ? 0.5849 0.5998 0.6365 -0.0224 -0.0220 -0.0031 747 LEU A CG \n369 C CD1 . LEU A 55 ? 0.6954 0.7155 0.7500 -0.0239 -0.0193 -0.0038 747 LEU A CD1 \n370 C CD2 . LEU A 55 ? 0.5867 0.6064 0.6457 -0.0178 -0.0198 -0.0037 747 LEU A CD2 \n371 N N . ARG A 56 ? 0.8219 0.8329 0.8596 -0.0355 -0.0226 0.0006 748 ARG A N \n372 C CA . ARG A 56 ? 1.1080 1.1195 1.1418 -0.0420 -0.0223 0.0021 748 ARG A CA \n373 C C . ARG A 56 ? 1.0388 1.0509 1.0694 -0.0460 -0.0206 0.0021 748 ARG A C \n374 O O . ARG A 56 ? 0.7229 0.7402 0.7583 -0.0440 -0.0176 0.0007 748 ARG A O \n375 C CB . ARG A 56 ? 1.1845 1.2057 1.2267 -0.0428 -0.0188 0.0020 748 ARG A CB \n376 C CG . ARG A 56 ? 1.3936 1.4149 1.4396 -0.0384 -0.0196 0.0017 748 ARG A CG \n377 C CD . ARG A 56 ? 1.4596 1.4761 1.5009 -0.0413 -0.0228 0.0034 748 ARG A CD \n378 N NE . ARG A 56 ? 1.5199 1.5339 1.5623 -0.0368 -0.0241 0.0030 748 ARG A NE \n379 C CZ . ARG A 56 ? 1.5598 1.5723 1.6013 -0.0384 -0.0260 0.0041 748 ARG A CZ \n380 N NH1 . ARG A 56 ? 1.4878 1.4968 1.5289 -0.0341 -0.0269 0.0035 748 ARG A NH1 \n381 N NH2 . ARG A 56 ? 1.5250 1.5393 1.5659 -0.0444 -0.0269 0.0059 748 ARG A NH2 \n382 N N . GLU A 57 ? 1.2379 1.2438 1.2593 -0.0517 -0.0227 0.0038 749 GLU A N \n383 C CA . GLU A 57 ? 1.3739 1.3784 1.3896 -0.0563 -0.0212 0.0041 749 GLU A CA \n384 C C . GLU A 57 ? 1.4962 1.5115 1.5174 -0.0600 -0.0151 0.0039 749 GLU A C \n385 O O . GLU A 57 ? 1.6001 1.6236 1.6296 -0.0596 -0.0129 0.0039 749 GLU A O \n386 C CB . GLU A 57 ? 1.3684 1.3614 1.3712 -0.0615 -0.0258 0.0061 749 GLU A CB \n387 C CG . GLU A 57 ? 1.5587 1.5401 1.5553 -0.0577 -0.0322 0.0061 749 GLU A CG \n388 C CD . GLU A 57 ? 1.6847 1.6535 1.6677 -0.0629 -0.0374 0.0082 749 GLU A CD \n389 O OE1 . GLU A 57 ? 1.6527 1.6217 1.6305 -0.0700 -0.0358 0.0098 749 GLU A OE1 \n390 O OE2 . GLU A 57 ? 1.8156 1.7743 1.7932 -0.0598 -0.0431 0.0082 749 GLU A OE2 \n391 N N . ALA A 58 ? 1.4459 1.4609 1.4624 -0.0635 -0.0126 0.0037 750 ALA A N \n392 C CA . ALA A 58 ? 1.4919 1.5165 1.5125 -0.0672 -0.0063 0.0033 750 ALA A CA \n393 C C . ALA A 58 ? 1.5944 1.6135 1.6037 -0.0748 -0.0056 0.0049 750 ALA A C \n394 O O . ALA A 58 ? 1.7984 1.8057 1.7963 -0.0764 -0.0100 0.0058 750 ALA A O \n395 C CB . ALA A 58 ? 1.3958 1.4268 1.4228 -0.0632 -0.0021 0.0008 750 ALA A CB \n396 N N . THR A 59 ? 1.5547 1.5824 1.5674 -0.0794 -0.0001 0.0053 751 THR A N \n397 C CA . THR A 59 ? 1.5666 1.5906 1.5692 -0.0871 0.0018 0.0068 751 THR A CA \n398 C C . THR A 59 ? 1.5758 1.5949 1.5705 -0.0869 0.0040 0.0053 751 THR A C \n399 O O . THR A 59 ? 1.4822 1.4902 1.4632 -0.0914 0.0017 0.0065 751 THR A O \n400 C CB . THR A 59 ? 1.4814 1.5178 1.4915 -0.0918 0.0081 0.0075 751 THR A CB \n401 O OG1 . THR A 59 ? 1.2875 1.3301 1.3077 -0.0907 0.0061 0.0084 751 THR A OG1 \n402 C CG2 . THR A 59 ? 1.2617 1.2932 1.2605 -0.1009 0.0093 0.0099 751 THR A CG2 \n403 N N . SER A 60 ? 1.5251 1.5517 1.5280 -0.0818 0.0080 0.0026 752 SER A N \n404 C CA . SER A 60 ? 1.7078 1.7293 1.7041 -0.0805 0.0093 0.0009 752 SER A CA \n405 C C . SER A 60 ? 1.6285 1.6482 1.6299 -0.0729 0.0055 -0.0006 752 SER A C \n406 O O . SER A 60 ? 1.5703 1.5985 1.5817 -0.0682 0.0087 -0.0027 752 SER A O \n407 C CB . SER A 60 ? 1.6547 1.6855 1.6546 -0.0816 0.0178 -0.0009 752 SER A CB \n408 O OG . SER A 60 ? 1.5039 1.5285 1.4960 -0.0802 0.0188 -0.0027 752 SER A OG \n409 N N . PRO A 61 ? 1.5006 1.5094 1.4955 -0.0716 -0.0015 0.0003 753 PRO A N \n410 C CA . PRO A 61 ? 1.3478 1.3554 1.3483 -0.0648 -0.0052 -0.0008 753 PRO A CA \n411 C C . PRO A 61 ? 1.2333 1.2375 1.2304 -0.0631 -0.0046 -0.0024 753 PRO A C \n412 O O . PRO A 61 ? 1.1256 1.1245 1.1123 -0.0674 -0.0028 -0.0024 753 PRO A O \n413 C CB . PRO A 61 ? 1.3646 1.3613 1.3586 -0.0646 -0.0127 0.0008 753 PRO A CB \n414 C CG . PRO A 61 ? 1.3697 1.3608 1.3534 -0.0718 -0.0134 0.0030 753 PRO A CG \n415 C CD . PRO A 61 ? 1.3088 1.3053 1.2904 -0.0766 -0.0064 0.0026 753 PRO A CD \n416 N N . LYS A 62 ? 1.1578 1.1646 1.1629 -0.0570 -0.0062 -0.0037 754 LYS A N \n417 C CA . LYS A 62 ? 0.9913 0.9940 0.9936 -0.0551 -0.0070 -0.0051 754 LYS A CA \n418 C C . LYS A 62 ? 0.9257 0.9148 0.9173 -0.0563 -0.0140 -0.0038 754 LYS A C \n419 O O . LYS A 62 ? 0.9143 0.8987 0.9044 -0.0563 -0.0188 -0.0023 754 LYS A O \n420 C CB . LYS A 62 ? 0.8340 0.8438 0.8488 -0.0487 -0.0069 -0.0065 754 LYS A CB \n421 C CG . LYS A 62 ? 0.8269 0.8487 0.8513 -0.0471 -0.0005 -0.0079 754 LYS A CG \n422 C CD . LYS A 62 ? 0.8297 0.8571 0.8652 -0.0412 -0.0010 -0.0091 754 LYS A CD \n423 C CE . LYS A 62 ? 0.8751 0.9132 0.9194 -0.0396 0.0045 -0.0106 754 LYS A CE \n424 N NZ . LYS A 62 ? 0.8804 0.9229 0.9343 -0.0343 0.0038 -0.0116 754 LYS A NZ \n425 N N . ALA A 63 ? 0.8671 0.8494 0.8510 -0.0573 -0.0150 -0.0045 755 ALA A N \n426 C CA . ALA A 63 ? 0.8306 0.7997 0.8051 -0.0580 -0.0224 -0.0034 755 ALA A CA \n427 C C . ALA A 63 ? 0.7631 0.7333 0.7477 -0.0520 -0.0279 -0.0033 755 ALA A C \n428 O O . ALA A 63 ? 0.6261 0.6060 0.6231 -0.0475 -0.0255 -0.0044 755 ALA A O \n429 C CB . ALA A 63 ? 0.8198 0.7814 0.7843 -0.0600 -0.0223 -0.0043 755 ALA A CB \n430 N N . ASN A 64 ? 0.7207 0.6810 0.7001 -0.0520 -0.0351 -0.0020 756 ASN A N \n431 C CA . ASN A 64 ? 0.7466 0.7080 0.7358 -0.0462 -0.0402 -0.0020 756 ASN A CA \n432 C C . ASN A 64 ? 0.6435 0.6089 0.6407 -0.0426 -0.0403 -0.0031 756 ASN A C \n433 O O . ASN A 64 ? 0.6698 0.6435 0.6800 -0.0376 -0.0398 -0.0036 756 ASN A O \n434 C CB . ASN A 64 ? 0.7970 0.7460 0.7785 -0.0468 -0.0485 -0.0006 756 ASN A CB \n435 C CG . ASN A 64 ? 0.8562 0.8025 0.8338 -0.0484 -0.0495 0.0004 756 ASN A CG \n436 O OD1 . ASN A 64 ? 0.8723 0.8078 0.8422 -0.0494 -0.0560 0.0016 756 ASN A OD1 \n437 N ND2 . ASN A 64 ? 0.8060 0.7616 0.7890 -0.0486 -0.0436 0.0002 756 ASN A ND2 \n438 N N . LYS A 65 ? 0.6292 0.5884 0.6180 -0.0452 -0.0409 -0.0035 757 LYS A N \n439 C CA . LYS A 65 ? 0.6983 0.6592 0.6930 -0.0423 -0.0421 -0.0043 757 LYS A CA \n440 C C . LYS A 65 ? 0.6684 0.6420 0.6741 -0.0396 -0.0354 -0.0058 757 LYS A C \n441 O O . LYS A 65 ? 0.4950 0.4735 0.5108 -0.0357 -0.0365 -0.0061 757 LYS A O \n442 C CB . LYS A 65 ? 0.7462 0.6956 0.7275 -0.0459 -0.0449 -0.0044 757 LYS A CB \n443 C CG . LYS A 65 ? 0.8235 0.7718 0.7942 -0.0503 -0.0382 -0.0054 757 LYS A CG \n444 C CD . LYS A 65 ? 0.8875 0.8232 0.8441 -0.0535 -0.0411 -0.0056 757 LYS A CD \n445 C CE . LYS A 65 ? 1.0394 0.9751 0.9864 -0.0571 -0.0333 -0.0070 757 LYS A CE \n446 N NZ . LYS A 65 ? 1.2974 1.2194 1.2288 -0.0602 -0.0360 -0.0074 757 LYS A NZ \n447 N N . GLU A 66 ? 0.5339 0.5129 0.5379 -0.0417 -0.0287 -0.0065 758 GLU A N \n448 C CA . GLU A 66 ? 0.5727 0.5636 0.5871 -0.0390 -0.0226 -0.0079 758 GLU A CA \n449 C C . GLU A 66 ? 0.5628 0.5620 0.5901 -0.0348 -0.0227 -0.0075 758 GLU A C \n450 O O . GLU A 66 ? 0.5319 0.5383 0.5696 -0.0311 -0.0213 -0.0082 758 GLU A O \n451 C CB . GLU A 66 ? 0.7101 0.7046 0.7198 -0.0424 -0.0158 -0.0087 758 GLU A CB \n452 C CG . GLU A 66 ? 0.9416 0.9464 0.9599 -0.0399 -0.0098 -0.0106 758 GLU A CG \n453 C CD . GLU A 66 ? 1.1205 1.1299 1.1358 -0.0430 -0.0030 -0.0115 758 GLU A CD \n454 O OE1 . GLU A 66 ? 1.3700 1.3894 1.3945 -0.0408 0.0015 -0.0126 758 GLU A OE1 \n455 O OE2 . GLU A 66 ? 1.0307 1.0336 1.0344 -0.0478 -0.0022 -0.0110 758 GLU A OE2 \n456 N N . ILE A 67 ? 0.4829 0.4803 0.5086 -0.0357 -0.0244 -0.0063 759 ILE A N \n457 C CA . ILE A 67 ? 0.4997 0.5022 0.5350 -0.0318 -0.0254 -0.0058 759 ILE A CA \n458 C C . ILE A 67 ? 0.4590 0.4609 0.5016 -0.0275 -0.0299 -0.0056 759 ILE A C \n459 O O . ILE A 67 ? 0.4433 0.4528 0.4968 -0.0236 -0.0284 -0.0059 759 ILE A O \n460 C CB . ILE A 67 ? 0.5400 0.5374 0.5694 -0.0337 -0.0276 -0.0046 759 ILE A CB \n461 C CG1 . ILE A 67 ? 0.5931 0.5944 0.6195 -0.0374 -0.0225 -0.0046 759 ILE A CG1 \n462 C CG2 . ILE A 67 ? 0.5420 0.5415 0.5793 -0.0291 -0.0301 -0.0042 759 ILE A CG2 \n463 C CD1 . ILE A 67 ? 0.5535 0.5491 0.5725 -0.0405 -0.0247 -0.0031 759 ILE A CD1 \n464 N N . LEU A 68 ? 0.4029 0.3958 0.4394 -0.0286 -0.0355 -0.0049 760 LEU A N \n465 C CA . LEU A 68 ? 0.5517 0.5445 0.5960 -0.0249 -0.0403 -0.0046 760 LEU A CA \n466 C C . LEU A 68 ? 0.5372 0.5366 0.5894 -0.0232 -0.0379 -0.0054 760 LEU A C \n467 O O . LEU A 68 ? 0.4592 0.4645 0.5228 -0.0194 -0.0385 -0.0052 760 LEU A O \n468 C CB . LEU A 68 ? 0.4702 0.4514 0.5062 -0.0267 -0.0475 -0.0037 760 LEU A CB \n469 C CG . LEU A 68 ? 0.5156 0.4901 0.5461 -0.0271 -0.0512 -0.0028 760 LEU A CG \n470 C CD1 . LEU A 68 ? 0.6034 0.5646 0.6229 -0.0298 -0.0585 -0.0019 760 LEU A CD1 \n471 C CD2 . LEU A 68 ? 0.4923 0.4723 0.5345 -0.0217 -0.0522 -0.0027 760 LEU A CD2 \n472 N N . ASP A 69 ? 0.4570 0.4554 0.5030 -0.0260 -0.0349 -0.0062 761 ASP A N \n473 C CA . ASP A 69 ? 0.4783 0.4811 0.5297 -0.0247 -0.0330 -0.0071 761 ASP A CA \n474 C C . ASP A 69 ? 0.5570 0.5711 0.6197 -0.0215 -0.0281 -0.0077 761 ASP A C \n475 O O . ASP A 69 ? 0.4906 0.5092 0.5622 -0.0190 -0.0286 -0.0076 761 ASP A O \n476 C CB . ASP A 69 ? 0.5471 0.5453 0.5877 -0.0281 -0.0306 -0.0082 761 ASP A CB \n477 C CG . ASP A 69 ? 0.7236 0.7246 0.7681 -0.0267 -0.0292 -0.0093 761 ASP A CG \n478 O OD1 . ASP A 69 ? 0.6087 0.6131 0.6515 -0.0272 -0.0237 -0.0108 761 ASP A OD1 \n479 O OD2 . ASP A 69 ? 0.5894 0.5891 0.6389 -0.0252 -0.0337 -0.0086 761 ASP A OD2 \n480 N N . GLU A 70 ? 0.4300 0.4482 0.4922 -0.0220 -0.0237 -0.0081 762 GLU A N \n481 C CA . GLU A 70 ? 0.4078 0.4352 0.4794 -0.0193 -0.0196 -0.0085 762 GLU A CA \n482 C C . GLU A 70 ? 0.3738 0.4039 0.4536 -0.0159 -0.0216 -0.0075 762 GLU A C \n483 O O . GLU A 70 ? 0.4230 0.4594 0.5119 -0.0131 -0.0200 -0.0076 762 GLU A O \n484 C CB . GLU A 70 ? 0.4732 0.5038 0.5419 -0.0211 -0.0150 -0.0091 762 GLU A CB \n485 C CG . GLU A 70 ? 0.5558 0.5852 0.6178 -0.0240 -0.0120 -0.0103 762 GLU A CG \n486 C CD . GLU A 70 ? 0.8193 0.8552 0.8829 -0.0248 -0.0066 -0.0112 762 GLU A CD \n487 O OE1 . GLU A 70 ? 0.7418 0.7770 0.7997 -0.0273 -0.0036 -0.0123 762 GLU A OE1 \n488 O OE2 . GLU A 70 ? 0.7233 0.7650 0.7939 -0.0229 -0.0053 -0.0109 762 GLU A OE2 \n489 N N . ALA A 71 ? 0.3592 0.3840 0.4355 -0.0161 -0.0252 -0.0067 763 ALA A N \n490 C CA . ALA A 71 ? 0.3449 0.3718 0.4286 -0.0124 -0.0268 -0.0060 763 ALA A CA \n491 C C . ALA A 71 ? 0.3643 0.3934 0.4565 -0.0100 -0.0294 -0.0056 763 ALA A C \n492 O O . ALA A 71 ? 0.3616 0.3962 0.4631 -0.0066 -0.0284 -0.0054 763 ALA A O \n493 C CB . ALA A 71 ? 0.3676 0.3874 0.4452 -0.0128 -0.0307 -0.0054 763 ALA A CB \n494 N N . TYR A 72 ? 0.3293 0.3539 0.4182 -0.0120 -0.0327 -0.0055 764 TYR A N \n495 C CA . TYR A 72 ? 0.3366 0.3628 0.4338 -0.0102 -0.0361 -0.0047 764 TYR A CA \n496 C C . TYR A 72 ? 0.3166 0.3516 0.4230 -0.0085 -0.0319 -0.0050 764 TYR A C \n497 O O . TYR A 72 ? 0.3194 0.3593 0.4360 -0.0060 -0.0326 -0.0042 764 TYR A O \n498 C CB . TYR A 72 ? 0.3550 0.3738 0.4455 -0.0131 -0.0405 -0.0045 764 TYR A CB \n499 C CG . TYR A 72 ? 0.3434 0.3637 0.4428 -0.0118 -0.0448 -0.0035 764 TYR A CG \n500 C CD1 . TYR A 72 ? 0.3371 0.3606 0.4401 -0.0123 -0.0435 -0.0036 764 TYR A CD1 \n501 C CD2 . TYR A 72 ? 0.3529 0.3714 0.4575 -0.0101 -0.0503 -0.0024 764 TYR A CD2 \n502 C CE1 . TYR A 72 ? 0.4169 0.4418 0.5284 -0.0116 -0.0477 -0.0024 764 TYR A CE1 \n503 C CE2 . TYR A 72 ? 0.3858 0.4066 0.5001 -0.0091 -0.0544 -0.0012 764 TYR A CE2 \n504 C CZ . TYR A 72 ? 0.3495 0.3736 0.4671 -0.0101 -0.0531 -0.0011 764 TYR A CZ \n505 O OH . TYR A 72 ? 0.4096 0.4360 0.5370 -0.0097 -0.0575 0.0002 764 TYR A OH \n506 N N . VAL A 73 ? 0.3378 0.3749 0.4407 -0.0098 -0.0275 -0.0060 765 VAL A N \n507 C CA . VAL A 73 ? 0.3283 0.3725 0.4388 -0.0084 -0.0240 -0.0062 765 VAL A CA \n508 C C . VAL A 73 ? 0.3048 0.3548 0.4224 -0.0055 -0.0212 -0.0059 765 VAL A C \n509 O O . VAL A 73 ? 0.2999 0.3554 0.4260 -0.0037 -0.0199 -0.0053 765 VAL A O \n510 C CB . VAL A 73 ? 0.3849 0.4298 0.4902 -0.0100 -0.0200 -0.0076 765 VAL A CB \n511 C CG1 . VAL A 73 ? 0.4236 0.4747 0.5362 -0.0084 -0.0173 -0.0078 765 VAL A CG1 \n512 C CG2 . VAL A 73 ? 0.4496 0.4878 0.5462 -0.0127 -0.0221 -0.0083 765 VAL A CG2 \n513 N N . MET A 74 ? 0.2829 0.3312 0.3963 -0.0052 -0.0204 -0.0061 766 MET A N \n514 C CA . MET A 74 ? 0.2877 0.3399 0.4058 -0.0024 -0.0179 -0.0059 766 MET A CA \n515 C C . MET A 74 ? 0.3467 0.4001 0.4724 0.0004 -0.0202 -0.0051 766 MET A C \n516 O O . MET A 74 ? 0.3738 0.4322 0.5063 0.0031 -0.0176 -0.0048 766 MET A O \n517 C CB . MET A 74 ? 0.3460 0.3948 0.4566 -0.0031 -0.0169 -0.0063 766 MET A CB \n518 C CG . MET A 74 ? 0.4095 0.4587 0.5145 -0.0059 -0.0141 -0.0071 766 MET A CG \n519 S SD . MET A 74 ? 0.4008 0.4444 0.4965 -0.0079 -0.0150 -0.0070 766 MET A SD \n520 C CE . MET A 74 ? 0.3262 0.3728 0.4185 -0.0109 -0.0110 -0.0077 766 MET A CE \n521 N N . ALA A 75 ? 0.2656 0.3147 0.3904 0.0000 -0.0252 -0.0046 767 ALA A N \n522 C CA . ALA A 75 ? 0.2975 0.3484 0.4312 0.0028 -0.0281 -0.0038 767 ALA A CA \n523 C C . ALA A 75 ? 0.3196 0.3760 0.4633 0.0030 -0.0287 -0.0029 767 ALA A C \n524 O O . ALA A 75 ? 0.3746 0.4355 0.5286 0.0056 -0.0296 -0.0021 767 ALA A O \n525 C CB . ALA A 75 ? 0.2950 0.3382 0.4237 0.0022 -0.0341 -0.0035 767 ALA A CB \n526 N N . SER A 76 ? 0.3572 0.4132 0.4980 0.0002 -0.0282 -0.0029 768 SER A N \n527 C CA . SER A 76 ? 0.3946 0.4539 0.5428 -0.0004 -0.0299 -0.0019 768 SER A CA \n528 C C . SER A 76 ? 0.3727 0.4399 0.5288 0.0006 -0.0249 -0.0016 768 SER A C \n529 O O . SER A 76 ? 0.4448 0.5159 0.6088 0.0002 -0.0260 -0.0004 768 SER A O \n530 C CB . SER A 76 ? 0.3198 0.3734 0.4595 -0.0039 -0.0318 -0.0024 768 SER A CB \n531 O OG . SER A 76 ? 0.4849 0.5409 0.6219 -0.0045 -0.0270 -0.0033 768 SER A OG \n532 N N . VAL A 77 ? 0.3042 0.3734 0.4578 0.0018 -0.0200 -0.0024 769 VAL A N \n533 C CA . VAL A 77 ? 0.3247 0.3998 0.4835 0.0024 -0.0155 -0.0021 769 VAL A CA \n534 C C . VAL A 77 ? 0.3687 0.4501 0.5386 0.0048 -0.0140 -0.0009 769 VAL A C \n535 O O . VAL A 77 ? 0.4329 0.5147 0.6052 0.0074 -0.0141 -0.0011 769 VAL A O \n536 C CB . VAL A 77 ? 0.3814 0.4560 0.5338 0.0027 -0.0111 -0.0032 769 VAL A CB \n537 C CG1 . VAL A 77 ? 0.3608 0.4310 0.5044 0.0002 -0.0118 -0.0043 769 VAL A CG1 \n538 C CG2 . VAL A 77 ? 0.4688 0.5418 0.6187 0.0050 -0.0101 -0.0037 769 VAL A CG2 \n539 N N . ASP A 78 ? 0.3175 0.4037 0.4942 0.0039 -0.0127 0.0001 770 ASP A N \n540 C CA . ASP A 78 ? 0.4067 0.4999 0.5951 0.0056 -0.0111 0.0015 770 ASP A CA \n541 C C . ASP A 78 ? 0.3131 0.4103 0.5035 0.0047 -0.0064 0.0021 770 ASP A C \n542 O O . ASP A 78 ? 0.3297 0.4285 0.5234 0.0022 -0.0076 0.0033 770 ASP A O \n543 C CB . ASP A 78 ? 0.3660 0.4609 0.5627 0.0044 -0.0164 0.0030 770 ASP A CB \n544 C CG . ASP A 78 ? 0.4215 0.5249 0.6323 0.0062 -0.0148 0.0045 770 ASP A CG \n545 O OD1 . ASP A 78 ? 0.4180 0.5248 0.6312 0.0093 -0.0102 0.0039 770 ASP A OD1 \n546 O OD2 . ASP A 78 ? 0.6700 0.7767 0.8894 0.0044 -0.0181 0.0062 770 ASP A OD2 \n547 N N . ASN A 79 ? 0.2585 0.3563 0.4459 0.0066 -0.0014 0.0013 771 ASN A N \n548 C CA . ASN A 79 ? 0.2689 0.3689 0.4561 0.0058 0.0031 0.0018 771 ASN A CA \n549 C C . ASN A 79 ? 0.2652 0.3663 0.4515 0.0088 0.0081 0.0013 771 ASN A C \n550 O O . ASN A 79 ? 0.3167 0.4140 0.4974 0.0109 0.0079 0.0000 771 ASN A O \n551 C CB . ASN A 79 ? 0.3097 0.4047 0.4873 0.0038 0.0027 0.0009 771 ASN A CB \n552 C CG . ASN A 79 ? 0.3228 0.4187 0.4991 0.0029 0.0065 0.0014 771 ASN A CG \n553 O OD1 . ASN A 79 ? 0.3208 0.4155 0.4928 0.0043 0.0101 0.0008 771 ASN A OD1 \n554 N ND2 . ASN A 79 ? 0.3130 0.4101 0.4923 0.0003 0.0054 0.0027 771 ASN A ND2 \n555 N N . PRO A 80 ? 0.3693 0.4748 0.5601 0.0089 0.0128 0.0023 772 PRO A N \n556 C CA . PRO A 80 ? 0.3736 0.4796 0.5632 0.0119 0.0180 0.0018 772 PRO A CA \n557 C C . PRO A 80 ? 0.3282 0.4272 0.5054 0.0126 0.0194 0.0003 772 PRO A C \n558 O O . PRO A 80 ? 0.2973 0.3944 0.4712 0.0155 0.0223 -0.0005 772 PRO A O \n559 C CB . PRO A 80 ? 0.4673 0.5783 0.6622 0.0105 0.0226 0.0034 772 PRO A CB \n560 C CG . PRO A 80 ? 0.5154 0.6308 0.7190 0.0075 0.0190 0.0051 772 PRO A CG \n561 C CD . PRO A 80 ? 0.3635 0.4734 0.5611 0.0060 0.0132 0.0043 772 PRO A CD \n562 N N . HIS A 81 ? 0.3168 0.4120 0.4874 0.0100 0.0173 0.0000 773 HIS A N \n563 C CA . HIS A 81 ? 0.3260 0.4151 0.4860 0.0103 0.0182 -0.0011 773 HIS A CA \n564 C C . HIS A 81 ? 0.2991 0.3839 0.4534 0.0100 0.0142 -0.0023 773 HIS A C \n565 O O . HIS A 81 ? 0.3228 0.4035 0.4695 0.0093 0.0140 -0.0031 773 HIS A O \n566 C CB . HIS A 81 ? 0.2993 0.3870 0.4558 0.0080 0.0198 -0.0005 773 HIS A CB \n567 C CG . HIS A 81 ? 0.4032 0.4948 0.5647 0.0075 0.0238 0.0010 773 HIS A CG \n568 N ND1 . HIS A 81 ? 0.3713 0.4632 0.5321 0.0096 0.0287 0.0010 773 HIS A ND1 \n569 C CD2 . HIS A 81 ? 0.4626 0.5579 0.6300 0.0050 0.0236 0.0025 773 HIS A CD2 \n570 C CE1 . HIS A 81 ? 0.3658 0.4619 0.5319 0.0082 0.0319 0.0026 773 HIS A CE1 \n571 N NE2 . HIS A 81 ? 0.3285 0.4267 0.4988 0.0053 0.0287 0.0037 773 HIS A NE2 \n572 N N . VAL A 82 ? 0.3293 0.4152 0.4873 0.0103 0.0110 -0.0024 774 VAL A N \n573 C CA . VAL A 82 ? 0.3244 0.4062 0.4768 0.0097 0.0074 -0.0034 774 VAL A CA \n574 C C . VAL A 82 ? 0.3232 0.4040 0.4771 0.0121 0.0058 -0.0037 774 VAL A C \n575 O O . VAL A 82 ? 0.3463 0.4307 0.5081 0.0131 0.0048 -0.0030 774 VAL A O \n576 C CB . VAL A 82 ? 0.4008 0.4826 0.5538 0.0070 0.0039 -0.0034 774 VAL A CB \n577 C CG1 . VAL A 82 ? 0.2900 0.3672 0.4357 0.0060 0.0013 -0.0044 774 VAL A CG1 \n578 C CG2 . VAL A 82 ? 0.3588 0.4417 0.5116 0.0051 0.0050 -0.0031 774 VAL A CG2 \n579 N N . CYS A 83 ? 0.3192 0.3949 0.4656 0.0130 0.0053 -0.0047 775 CYS A N \n580 C CA . CYS A 83 ? 0.3447 0.4175 0.4903 0.0149 0.0027 -0.0051 775 CYS A CA \n581 C C . CYS A 83 ? 0.3218 0.3934 0.4678 0.0129 -0.0021 -0.0049 775 CYS A C \n582 O O . CYS A 83 ? 0.3820 0.4530 0.5251 0.0098 -0.0033 -0.0049 775 CYS A O \n583 C CB . CYS A 83 ? 0.3039 0.3703 0.4397 0.0154 0.0027 -0.0059 775 CYS A CB \n584 S SG . CYS A 83 ? 0.3937 0.4590 0.5269 0.0183 0.0077 -0.0063 775 CYS A SG \n585 N N . ARG A 84 ? 0.2800 0.3504 0.4288 0.0146 -0.0051 -0.0049 776 ARG A N \n586 C CA . ARG A 84 ? 0.2602 0.3277 0.4076 0.0125 -0.0103 -0.0047 776 ARG A CA \n587 C C . ARG A 84 ? 0.2505 0.3112 0.3915 0.0133 -0.0138 -0.0052 776 ARG A C \n588 O O . ARG A 84 ? 0.2948 0.3540 0.4357 0.0166 -0.0130 -0.0056 776 ARG A O \n589 C CB . ARG A 84 ? 0.3903 0.4623 0.5478 0.0127 -0.0125 -0.0036 776 ARG A CB \n590 C CG . ARG A 84 ? 0.4227 0.4956 0.5870 0.0161 -0.0147 -0.0035 776 ARG A CG \n591 C CD . ARG A 84 ? 0.6046 0.6802 0.7774 0.0151 -0.0191 -0.0023 776 ARG A CD \n592 N NE . ARG A 84 ? 0.5696 0.6437 0.7469 0.0181 -0.0231 -0.0023 776 ARG A NE \n593 C CZ . ARG A 84 ? 0.6357 0.7027 0.8077 0.0171 -0.0293 -0.0024 776 ARG A CZ \n594 N NH1 . ARG A 84 ? 0.5065 0.5672 0.6682 0.0130 -0.0318 -0.0024 776 ARG A NH1 \n595 N NH2 . ARG A 84 ? 0.7123 0.7782 0.8893 0.0203 -0.0332 -0.0025 776 ARG A NH2 \n596 N N . LEU A 85 ? 0.3523 0.4081 0.4866 0.0102 -0.0174 -0.0052 777 LEU A N \n597 C CA . LEU A 85 ? 0.4424 0.4906 0.5692 0.0099 -0.0214 -0.0054 777 LEU A CA \n598 C C . LEU A 85 ? 0.4605 0.5081 0.5937 0.0124 -0.0258 -0.0050 777 LEU A C \n599 O O . LEU A 85 ? 0.3983 0.4489 0.5381 0.0117 -0.0278 -0.0043 777 LEU A O \n600 C CB . LEU A 85 ? 0.4243 0.4679 0.5421 0.0053 -0.0233 -0.0054 777 LEU A CB \n601 C CG . LEU A 85 ? 0.4833 0.5186 0.5902 0.0034 -0.0260 -0.0055 777 LEU A CG \n602 C CD1 . LEU A 85 ? 0.4002 0.4347 0.5036 0.0047 -0.0231 -0.0059 777 LEU A CD1 \n603 C CD2 . LEU A 85 ? 0.4528 0.4854 0.5520 -0.0013 -0.0263 -0.0055 777 LEU A CD2 \n604 N N . LEU A 86 ? 0.3919 0.4355 0.5237 0.0155 -0.0275 -0.0055 778 LEU A N \n605 C CA . LEU A 86 ? 0.4094 0.4519 0.5474 0.0184 -0.0323 -0.0053 778 LEU A CA \n606 C C . LEU A 86 ? 0.4495 0.4823 0.5785 0.0159 -0.0390 -0.0050 778 LEU A C \n607 O O . LEU A 86 ? 0.5158 0.5470 0.6488 0.0162 -0.0444 -0.0044 778 LEU A O \n608 C CB . LEU A 86 ? 0.3567 0.3996 0.4982 0.0238 -0.0307 -0.0062 778 LEU A CB \n609 C CG . LEU A 86 ? 0.4776 0.5295 0.6286 0.0272 -0.0242 -0.0065 778 LEU A CG \n610 C CD1 . LEU A 86 ? 0.4629 0.5123 0.6132 0.0324 -0.0227 -0.0078 778 LEU A CD1 \n611 C CD2 . LEU A 86 ? 0.6299 0.6907 0.7954 0.0281 -0.0243 -0.0056 778 LEU A CD2 \n612 N N . GLY A 87 ? 0.4424 0.4684 0.5588 0.0131 -0.0390 -0.0053 779 GLY A N \n613 C CA . GLY A 87 ? 0.4418 0.4575 0.5480 0.0106 -0.0450 -0.0050 779 GLY A CA \n614 C C . GLY A 87 ? 0.4039 0.4142 0.4970 0.0060 -0.0437 -0.0049 779 GLY A C \n615 O O . GLY A 87 ? 0.4021 0.4163 0.4942 0.0052 -0.0384 -0.0052 779 GLY A O \n616 N N . ILE A 88 ? 0.4339 0.4348 0.5170 0.0027 -0.0487 -0.0044 780 ILE A N \n617 C CA . ILE A 88 ? 0.3940 0.3896 0.4647 -0.0022 -0.0478 -0.0041 780 ILE A CA \n618 C C . ILE A 88 ? 0.4611 0.4446 0.5213 -0.0038 -0.0544 -0.0035 780 ILE A C \n619 O O . ILE A 88 ? 0.4409 0.4199 0.5025 -0.0023 -0.0601 -0.0033 780 ILE A O \n620 C CB . ILE A 88 ? 0.4429 0.4416 0.5115 -0.0068 -0.0451 -0.0039 780 ILE A CB \n621 C CG1 . ILE A 88 ? 0.4507 0.4467 0.5088 -0.0118 -0.0426 -0.0037 780 ILE A CG1 \n622 C CG2 . ILE A 88 ? 0.4840 0.4783 0.5513 -0.0084 -0.0499 -0.0034 780 ILE A CG2 \n623 C CD1 . ILE A 88 ? 0.5010 0.5021 0.5590 -0.0151 -0.0383 -0.0039 780 ILE A CD1 \n624 N N . CYS A 89 ? 0.4241 0.4021 0.4739 -0.0069 -0.0539 -0.0032 781 CYS A N \n625 C CA . CYS A 89 ? 0.5001 0.4657 0.5380 -0.0093 -0.0600 -0.0024 781 CYS A CA \n626 C C . CYS A 89 ? 0.5421 0.5047 0.5688 -0.0162 -0.0579 -0.0016 781 CYS A C \n627 O O . CYS A 89 ? 0.5386 0.5047 0.5643 -0.0174 -0.0536 -0.0016 781 CYS A O \n628 C CB . CYS A 89 ? 0.5332 0.4940 0.5704 -0.0050 -0.0626 -0.0029 781 CYS A CB \n629 S SG . CYS A 89 ? 0.6760 0.6198 0.6973 -0.0079 -0.0708 -0.0019 781 CYS A SG \n630 N N . LEU A 90 ? 0.5191 0.4755 0.5376 -0.0208 -0.0607 -0.0008 782 LEU A N \n631 C CA . LEU A 90 ? 0.6776 0.6306 0.6849 -0.0277 -0.0585 0.0000 782 LEU A CA \n632 C C . LEU A 90 ? 0.7556 0.6950 0.7494 -0.0309 -0.0645 0.0012 782 LEU A C \n633 O O . LEU A 90 ? 0.7032 0.6334 0.6929 -0.0299 -0.0713 0.0015 782 LEU A O \n634 C CB . LEU A 90 ? 0.6064 0.5606 0.6114 -0.0313 -0.0568 0.0000 782 LEU A CB \n635 C CG . LEU A 90 ? 0.6390 0.6052 0.6562 -0.0286 -0.0516 -0.0011 782 LEU A CG \n636 C CD1 . LEU A 90 ? 0.7460 0.7101 0.7589 -0.0317 -0.0516 -0.0012 782 LEU A CD1 \n637 C CD2 . LEU A 90 ? 0.5959 0.5721 0.6179 -0.0289 -0.0445 -0.0016 782 LEU A CD2 \n638 N N . THR A 91 ? 0.7468 0.6851 0.7344 -0.0344 -0.0624 0.0019 783 THR A N \n639 C CA . THR A 91 ? 0.7666 0.6920 0.7401 -0.0387 -0.0675 0.0034 783 THR A CA \n640 C C . THR A 91 ? 0.7453 0.6729 0.7121 -0.0461 -0.0626 0.0046 783 THR A C \n641 O O . THR A 91 ? 0.8968 0.8296 0.8639 -0.0493 -0.0582 0.0044 783 THR A O \n642 C CB . THR A 91 ? 0.7592 0.6801 0.7327 -0.0347 -0.0709 0.0033 783 THR A CB \n643 O OG1 . THR A 91 ? 0.8318 0.7621 0.8118 -0.0336 -0.0651 0.0029 783 THR A OG1 \n644 C CG2 . THR A 91 ? 0.7956 0.7151 0.7768 -0.0269 -0.0752 0.0020 783 THR A CG2 \n645 N N . SER A 92 ? 0.8181 0.7420 0.7791 -0.0488 -0.0633 0.0057 784 SER A N \n646 C CA . SER A 92 ? 0.8307 0.7600 0.7893 -0.0549 -0.0580 0.0068 784 SER A CA \n647 C C . SER A 92 ? 0.8727 0.8166 0.8451 -0.0515 -0.0513 0.0055 784 SER A C \n648 O O . SER A 92 ? 0.9563 0.9082 0.9308 -0.0555 -0.0458 0.0059 784 SER A O \n649 C CB . SER A 92 ? 0.8791 0.7990 0.8272 -0.0591 -0.0618 0.0086 784 SER A CB \n650 O OG . SER A 92 ? 1.0234 0.9409 0.9749 -0.0533 -0.0650 0.0080 784 SER A OG \n651 N N . THR A 93 ? 0.7430 0.6904 0.7247 -0.0441 -0.0520 0.0041 785 THR A N \n652 C CA . THR A 93 ? 0.6585 0.6185 0.6529 -0.0403 -0.0463 0.0028 785 THR A CA \n653 C C . THR A 93 ? 0.6217 0.5874 0.6258 -0.0348 -0.0452 0.0012 785 THR A C \n654 O O . THR A 93 ? 0.6195 0.5790 0.6218 -0.0328 -0.0497 0.0010 785 THR A O \n655 C CB . THR A 93 ? 0.6707 0.6299 0.6675 -0.0363 -0.0474 0.0026 785 THR A CB \n656 O OG1 . THR A 93 ? 0.6428 0.5963 0.6407 -0.0302 -0.0518 0.0017 785 THR A OG1 \n657 C CG2 . THR A 93 ? 0.7795 0.7315 0.7663 -0.0414 -0.0498 0.0044 785 THR A CG2 \n658 N N . VAL A 94 ? 0.5854 0.5625 0.5998 -0.0327 -0.0397 0.0002 786 VAL A N \n659 C CA . VAL A 94 ? 0.4870 0.4702 0.5118 -0.0273 -0.0385 -0.0010 786 VAL A CA \n660 C C . VAL A 94 ? 0.4544 0.4397 0.4859 -0.0213 -0.0385 -0.0017 786 VAL A C \n661 O O . VAL A 94 ? 0.4946 0.4834 0.5278 -0.0211 -0.0357 -0.0017 786 VAL A O \n662 C CB . VAL A 94 ? 0.4730 0.4664 0.5045 -0.0281 -0.0327 -0.0018 786 VAL A CB \n663 C CG1 . VAL A 94 ? 0.6057 0.6046 0.6474 -0.0231 -0.0321 -0.0029 786 VAL A CG1 \n664 C CG2 . VAL A 94 ? 0.6032 0.5943 0.6272 -0.0338 -0.0320 -0.0014 786 VAL A CG2 \n665 N N . GLN A 95 ? 0.4584 0.4416 0.4940 -0.0164 -0.0415 -0.0023 787 GLN A N \n666 C CA . GLN A 95 ? 0.4419 0.4279 0.4847 -0.0103 -0.0406 -0.0032 787 GLN A CA \n667 C C . GLN A 95 ? 0.4876 0.4817 0.5422 -0.0061 -0.0385 -0.0041 787 GLN A C \n668 O O . GLN A 95 ? 0.4376 0.4302 0.4943 -0.0055 -0.0416 -0.0041 787 GLN A O \n669 C CB . GLN A 95 ? 0.4872 0.4634 0.5248 -0.0074 -0.0459 -0.0033 787 GLN A CB \n670 C CG . GLN A 95 ? 0.4922 0.4603 0.5186 -0.0106 -0.0478 -0.0024 787 GLN A CG \n671 C CD . GLN A 95 ? 0.5414 0.4986 0.5618 -0.0074 -0.0535 -0.0026 787 GLN A CD \n672 O OE1 . GLN A 95 ? 0.5364 0.4926 0.5583 -0.0028 -0.0529 -0.0035 787 GLN A OE1 \n673 N NE2 . GLN A 95 ? 0.5690 0.5172 0.5821 -0.0096 -0.0592 -0.0019 787 GLN A NE2 \n674 N N . LEU A 96 ? 0.4084 0.4104 0.4705 -0.0035 -0.0337 -0.0047 788 LEU A N \n675 C CA . LEU A 96 ? 0.4189 0.4292 0.4925 0.0000 -0.0311 -0.0053 788 LEU A CA \n676 C C . LEU A 96 ? 0.3588 0.3698 0.4380 0.0059 -0.0307 -0.0060 788 LEU A C \n677 O O . LEU A 96 ? 0.3879 0.3967 0.4640 0.0075 -0.0293 -0.0064 788 LEU A O \n678 C CB . LEU A 96 ? 0.3852 0.4036 0.4629 -0.0015 -0.0258 -0.0055 788 LEU A CB \n679 C CG . LEU A 96 ? 0.4145 0.4337 0.4876 -0.0069 -0.0248 -0.0052 788 LEU A CG \n680 C CD1 . LEU A 96 ? 0.4062 0.4335 0.4846 -0.0071 -0.0198 -0.0056 788 LEU A CD1 \n681 C CD2 . LEU A 96 ? 0.4478 0.4656 0.5206 -0.0085 -0.0273 -0.0050 788 LEU A CD2 \n682 N N . ILE A 97 ? 0.3539 0.3682 0.4418 0.0092 -0.0318 -0.0063 789 ILE A N \n683 C CA . ILE A 97 ? 0.3293 0.3447 0.4232 0.0151 -0.0311 -0.0071 789 ILE A CA \n684 C C . ILE A 97 ? 0.2834 0.3092 0.3895 0.0174 -0.0266 -0.0072 789 ILE A C \n685 O O . ILE A 97 ? 0.3709 0.4010 0.4826 0.0158 -0.0273 -0.0067 789 ILE A O \n686 C CB . ILE A 97 ? 0.3966 0.4059 0.4906 0.0178 -0.0371 -0.0072 789 ILE A CB \n687 C CG1 . ILE A 97 ? 0.4513 0.4488 0.5317 0.0155 -0.0416 -0.0070 789 ILE A CG1 \n688 C CG2 . ILE A 97 ? 0.4095 0.4218 0.5122 0.0246 -0.0357 -0.0083 789 ILE A CG2 \n689 C CD1 . ILE A 97 ? 0.4681 0.4609 0.5414 0.0096 -0.0455 -0.0059 789 ILE A CD1 \n690 N N . THR A 98 ? 0.2715 0.3003 0.3804 0.0209 -0.0222 -0.0079 790 THR A N \n691 C CA . THR A 98 ? 0.2916 0.3298 0.4109 0.0227 -0.0173 -0.0078 790 THR A CA \n692 C C . THR A 98 ? 0.3129 0.3524 0.4365 0.0283 -0.0142 -0.0088 790 THR A C \n693 O O . THR A 98 ? 0.3240 0.3564 0.4406 0.0308 -0.0151 -0.0096 790 THR A O \n694 C CB . THR A 98 ? 0.3272 0.3689 0.4444 0.0193 -0.0132 -0.0075 790 THR A CB \n695 O OG1 . THR A 98 ? 0.3717 0.4218 0.4986 0.0202 -0.0094 -0.0072 790 THR A OG1 \n696 C CG2 . THR A 98 ? 0.3465 0.3837 0.4556 0.0200 -0.0109 -0.0080 790 THR A CG2 \n697 N N . GLN A 99 ? 0.3274 0.3756 0.4620 0.0304 -0.0104 -0.0086 791 GLN A N \n698 C CA . GLN A 99 ? 0.3985 0.4489 0.5376 0.0357 -0.0063 -0.0096 791 GLN A CA \n699 C C . GLN A 99 ? 0.3728 0.4180 0.5017 0.0361 -0.0026 -0.0103 791 GLN A C \n700 O O . GLN A 99 ? 0.3690 0.4150 0.4939 0.0325 -0.0004 -0.0097 791 GLN A O \n701 C CB . GLN A 99 ? 0.3732 0.4343 0.5255 0.0367 -0.0021 -0.0089 791 GLN A CB \n702 C CG . GLN A 99 ? 0.4730 0.5375 0.6303 0.0419 0.0035 -0.0099 791 GLN A CG \n703 C CD . GLN A 99 ? 0.6244 0.7001 0.7950 0.0420 0.0079 -0.0089 791 GLN A CD \n704 O OE1 . GLN A 99 ? 0.5789 0.6593 0.7541 0.0380 0.0067 -0.0075 791 GLN A OE1 \n705 N NE2 . GLN A 99 ? 0.6961 0.7758 0.8724 0.0466 0.0132 -0.0097 791 GLN A NE2 \n706 N N . LEU A 100 ? 0.3403 0.3796 0.4645 0.0404 -0.0023 -0.0116 792 LEU A N \n707 C CA . LEU A 100 ? 0.3815 0.4147 0.4952 0.0410 0.0007 -0.0123 792 LEU A CA \n708 C C . LEU A 100 ? 0.4952 0.5346 0.6133 0.0422 0.0078 -0.0122 792 LEU A C \n709 O O . LEU A 100 ? 0.3776 0.4238 0.5059 0.0456 0.0112 -0.0126 792 LEU A O \n710 C CB . LEU A 100 ? 0.3286 0.3526 0.4351 0.0457 -0.0007 -0.0138 792 LEU A CB \n711 C CG . LEU A 100 ? 0.3904 0.4062 0.4846 0.0465 0.0017 -0.0145 792 LEU A CG \n712 C CD1 . LEU A 100 ? 0.3710 0.3815 0.4552 0.0404 -0.0016 -0.0133 792 LEU A CD1 \n713 C CD2 . LEU A 100 ? 0.3924 0.3992 0.4802 0.0522 0.0008 -0.0164 792 LEU A CD2 \n714 N N . MET A 101 ? 0.3887 0.4258 0.4994 0.0390 0.0098 -0.0118 793 MET A N \n715 C CA . MET A 101 ? 0.4374 0.4782 0.5495 0.0396 0.0161 -0.0117 793 MET A CA \n716 C C . MET A 101 ? 0.4038 0.4348 0.5036 0.0420 0.0180 -0.0128 793 MET A C \n717 O O . MET A 101 ? 0.3648 0.3892 0.4544 0.0390 0.0162 -0.0124 793 MET A O \n718 C CB . MET A 101 ? 0.3443 0.3889 0.4569 0.0344 0.0166 -0.0103 793 MET A CB \n719 C CG . MET A 101 ? 0.5458 0.5983 0.6684 0.0316 0.0145 -0.0092 793 MET A CG \n720 S SD . MET A 101 ? 0.6483 0.7117 0.7850 0.0333 0.0192 -0.0086 793 MET A SD \n721 C CE . MET A 101 ? 0.5493 0.6154 0.6950 0.0360 0.0150 -0.0089 793 MET A CE \n722 N N . PRO A 102 ? 0.4067 0.4365 0.5073 0.0476 0.0216 -0.0142 794 PRO A N \n723 C CA . PRO A 102 ? 0.3543 0.3727 0.4416 0.0503 0.0223 -0.0156 794 PRO A CA \n724 C C . PRO A 102 ? 0.3264 0.3414 0.4058 0.0494 0.0273 -0.0154 794 PRO A C \n725 O O . PRO A 102 ? 0.4113 0.4156 0.4780 0.0509 0.0272 -0.0163 794 PRO A O \n726 C CB . PRO A 102 ? 0.5040 0.5228 0.5959 0.0572 0.0246 -0.0174 794 PRO A CB \n727 C CG . PRO A 102 ? 0.5059 0.5383 0.6140 0.0577 0.0286 -0.0168 794 PRO A CG \n728 C CD . PRO A 102 ? 0.5088 0.5471 0.6225 0.0518 0.0246 -0.0148 794 PRO A CD \n729 N N . PHE A 103 ? 0.3433 0.3664 0.4292 0.0467 0.0310 -0.0142 795 PHE A N \n730 C CA . PHE A 103 ? 0.3946 0.4129 0.4713 0.0448 0.0343 -0.0138 795 PHE A CA \n731 C C . PHE A 103 ? 0.3683 0.3813 0.4371 0.0396 0.0291 -0.0127 795 PHE A C \n732 O O . PHE A 103 ? 0.4552 0.4619 0.5145 0.0380 0.0302 -0.0123 795 PHE A O \n733 C CB . PHE A 103 ? 0.4566 0.4837 0.5413 0.0439 0.0403 -0.0129 795 PHE A CB \n734 C CG . PHE A 103 ? 0.5572 0.5894 0.6490 0.0489 0.0466 -0.0140 795 PHE A CG \n735 C CD1 . PHE A 103 ? 0.6227 0.6676 0.7299 0.0487 0.0492 -0.0130 795 PHE A CD1 \n736 C CD2 . PHE A 103 ? 0.7015 0.7257 0.7848 0.0540 0.0497 -0.0159 795 PHE A CD2 \n737 C CE1 . PHE A 103 ? 0.8664 0.9173 0.9819 0.0532 0.0551 -0.0139 795 PHE A CE1 \n738 C CE2 . PHE A 103 ? 0.7734 0.8031 0.8642 0.0591 0.0560 -0.0171 795 PHE A CE2 \n739 C CZ . PHE A 103 ? 0.8085 0.8523 0.9161 0.0586 0.0588 -0.0161 795 PHE A CZ \n740 N N . GLY A 104 ? 0.3761 0.3917 0.4489 0.0371 0.0236 -0.0121 796 GLY A N \n741 C CA . GLY A 104 ? 0.4056 0.4165 0.4716 0.0324 0.0185 -0.0111 796 GLY A CA \n742 C C . GLY A 104 ? 0.3938 0.4113 0.4649 0.0280 0.0185 -0.0098 796 GLY A C \n743 O O . GLY A 104 ? 0.3608 0.3869 0.4414 0.0280 0.0215 -0.0094 796 GLY A O \n744 N N . CYS A 105 ? 0.3610 0.3744 0.4261 0.0243 0.0149 -0.0091 797 CYS A N \n745 C CA . CYS A 105 ? 0.3421 0.3614 0.4121 0.0206 0.0147 -0.0081 797 CYS A CA \n746 C C . CYS A 105 ? 0.3611 0.3783 0.4274 0.0204 0.0179 -0.0077 797 CYS A C \n747 O O . CYS A 105 ? 0.3583 0.3670 0.4150 0.0222 0.0196 -0.0081 797 CYS A O \n748 C CB . CYS A 105 ? 0.5173 0.5354 0.5852 0.0167 0.0096 -0.0075 797 CYS A CB \n749 S SG . CYS A 105 ? 0.7160 0.7223 0.7704 0.0157 0.0067 -0.0072 797 CYS A SG \n750 N N . LEU A 106 ? 0.4149 0.4386 0.4878 0.0182 0.0186 -0.0069 798 LEU A N \n751 C CA . LEU A 106 ? 0.4063 0.4280 0.4759 0.0174 0.0212 -0.0064 798 LEU A CA \n752 C C . LEU A 106 ? 0.3466 0.3595 0.4060 0.0155 0.0179 -0.0061 798 LEU A C \n753 O O . LEU A 106 ? 0.3853 0.3915 0.4369 0.0157 0.0196 -0.0059 798 LEU A O \n754 C CB . LEU A 106 ? 0.3199 0.3500 0.3987 0.0152 0.0218 -0.0056 798 LEU A CB \n755 C CG . LEU A 106 ? 0.3493 0.3778 0.4257 0.0144 0.0248 -0.0049 798 LEU A CG \n756 C CD1 . LEU A 106 ? 0.4080 0.4343 0.4812 0.0171 0.0306 -0.0050 798 LEU A CD1 \n757 C CD2 . LEU A 106 ? 0.3291 0.3657 0.4149 0.0124 0.0248 -0.0041 798 LEU A CD2 \n758 N N . LEU A 107 ? 0.3785 0.3911 0.4379 0.0135 0.0130 -0.0060 799 LEU A N \n759 C CA . LEU A 107 ? 0.3699 0.3747 0.4209 0.0114 0.0092 -0.0055 799 LEU A CA \n760 C C . LEU A 107 ? 0.4027 0.3960 0.4413 0.0135 0.0096 -0.0059 799 LEU A C \n761 O O . LEU A 107 ? 0.3910 0.3759 0.4204 0.0129 0.0090 -0.0055 799 LEU A O \n762 C CB . LEU A 107 ? 0.3957 0.4033 0.4501 0.0087 0.0043 -0.0052 799 LEU A CB \n763 C CG . LEU A 107 ? 0.3809 0.3812 0.4279 0.0063 -0.0002 -0.0044 799 LEU A CG \n764 C CD1 . LEU A 107 ? 0.4512 0.4507 0.4980 0.0050 -0.0009 -0.0039 799 LEU A CD1 \n765 C CD2 . LEU A 107 ? 0.4496 0.4535 0.5005 0.0034 -0.0044 -0.0040 799 LEU A CD2 \n766 N N . ASP A 108 ? 0.4040 0.3961 0.4416 0.0161 0.0105 -0.0067 800 ASP A N \n767 C CA . ASP A 108 ? 0.4402 0.4206 0.4654 0.0186 0.0109 -0.0074 800 ASP A CA \n768 C C . ASP A 108 ? 0.4029 0.3806 0.4241 0.0213 0.0168 -0.0079 800 ASP A C \n769 O O . ASP A 108 ? 0.4211 0.3876 0.4298 0.0222 0.0172 -0.0081 800 ASP A O \n770 C CB . ASP A 108 ? 0.4416 0.4208 0.4667 0.0211 0.0101 -0.0083 800 ASP A CB \n771 C CG . ASP A 108 ? 0.6607 0.6389 0.6853 0.0179 0.0039 -0.0076 800 ASP A CG \n772 O OD1 . ASP A 108 ? 0.7045 0.6852 0.7327 0.0188 0.0027 -0.0080 800 ASP A OD1 \n773 O OD2 . ASP A 108 ? 0.6367 0.6116 0.6575 0.0144 0.0001 -0.0066 800 ASP A OD2 \n774 N N . TYR A 109 ? 0.4114 0.3990 0.4430 0.0223 0.0213 -0.0079 801 TYR A N \n775 C CA . TYR A 109 ? 0.4642 0.4512 0.4939 0.0245 0.0278 -0.0082 801 TYR A CA \n776 C C . TYR A 109 ? 0.4581 0.4390 0.4798 0.0219 0.0280 -0.0073 801 TYR A C \n777 O O . TYR A 109 ? 0.4642 0.4361 0.4749 0.0235 0.0313 -0.0077 801 TYR A O \n778 C CB . TYR A 109 ? 0.3880 0.3878 0.4318 0.0252 0.0317 -0.0081 801 TYR A CB \n779 C CG . TYR A 109 ? 0.5007 0.5013 0.5441 0.0277 0.0390 -0.0084 801 TYR A CG \n780 C CD1 . TYR A 109 ? 0.4992 0.5000 0.5411 0.0253 0.0419 -0.0073 801 TYR A CD1 \n781 C CD2 . TYR A 109 ? 0.4948 0.4961 0.5395 0.0323 0.0432 -0.0098 801 TYR A CD2 \n782 C CE1 . TYR A 109 ? 0.5599 0.5617 0.6014 0.0271 0.0492 -0.0074 801 TYR A CE1 \n783 C CE2 . TYR A 109 ? 0.5858 0.5888 0.6311 0.0346 0.0507 -0.0101 801 TYR A CE2 \n784 C CZ . TYR A 109 ? 0.5949 0.5983 0.6384 0.0317 0.0539 -0.0088 801 TYR A CZ \n785 O OH . TYR A 109 ? 0.6514 0.6569 0.6953 0.0334 0.0617 -0.0089 801 TYR A OH \n786 N N . VAL A 110 ? 0.4315 0.4164 0.4580 0.0182 0.0243 -0.0061 802 VAL A N \n787 C CA . VAL A 110 ? 0.4178 0.3958 0.4365 0.0158 0.0232 -0.0052 802 VAL A CA \n788 C C . VAL A 110 ? 0.4576 0.4216 0.4616 0.0152 0.0191 -0.0051 802 VAL A C \n789 O O . VAL A 110 ? 0.4756 0.4302 0.4688 0.0146 0.0201 -0.0047 802 VAL A O \n790 C CB . VAL A 110 ? 0.4476 0.4329 0.4752 0.0124 0.0200 -0.0041 802 VAL A CB \n791 C CG1 . VAL A 110 ? 0.3984 0.3953 0.4382 0.0128 0.0240 -0.0040 802 VAL A CG1 \n792 C CG2 . VAL A 110 ? 0.3762 0.3643 0.4084 0.0106 0.0137 -0.0041 802 VAL A CG2 \n793 N N . ARG A 111 ? 0.4573 0.4196 0.4608 0.0149 0.0143 -0.0053 803 ARG A N \n794 C CA . ARG A 111 ? 0.4527 0.4016 0.4426 0.0142 0.0098 -0.0052 803 ARG A CA \n795 C C . ARG A 111 ? 0.4703 0.4081 0.4470 0.0178 0.0141 -0.0063 803 ARG A C \n796 O O . ARG A 111 ? 0.5044 0.4293 0.4670 0.0173 0.0130 -0.0061 803 ARG A O \n797 C CB . ARG A 111 ? 0.4974 0.4480 0.4906 0.0130 0.0043 -0.0051 803 ARG A CB \n798 C CG . ARG A 111 ? 0.5260 0.4836 0.5281 0.0091 -0.0007 -0.0039 803 ARG A CG \n799 C CD . ARG A 111 ? 0.4890 0.4510 0.4965 0.0077 -0.0045 -0.0038 803 ARG A CD \n800 N NE . ARG A 111 ? 0.4054 0.3742 0.4213 0.0040 -0.0089 -0.0028 803 ARG A NE \n801 C CZ . ARG A 111 ? 0.5389 0.5119 0.5596 0.0018 -0.0124 -0.0023 803 ARG A CZ \n802 N NH1 . ARG A 111 ? 0.5208 0.4913 0.5384 0.0027 -0.0127 -0.0027 803 ARG A NH1 \n803 N NH2 . ARG A 111 ? 0.4661 0.4458 0.4949 -0.0013 -0.0157 -0.0015 803 ARG A NH2 \n804 N N . GLU A 112 ? 0.5156 0.4585 0.4970 0.0215 0.0190 -0.0076 804 GLU A N \n805 C CA . GLU A 112 ? 0.5553 0.4889 0.5255 0.0258 0.0237 -0.0091 804 GLU A CA \n806 C C . GLU A 112 ? 0.6571 0.5881 0.6220 0.0267 0.0306 -0.0092 804 GLU A C \n807 O O . GLU A 112 ? 0.5822 0.5000 0.5318 0.0284 0.0329 -0.0099 804 GLU A O \n808 C CB . GLU A 112 ? 0.5509 0.4913 0.5291 0.0298 0.0263 -0.0106 804 GLU A CB \n809 C CG . GLU A 112 ? 0.7811 0.7131 0.7497 0.0351 0.0315 -0.0125 804 GLU A CG \n810 C CD . GLU A 112 ? 1.0209 0.9387 0.9757 0.0363 0.0266 -0.0133 804 GLU A CD \n811 O OE1 . GLU A 112 ? 1.0297 0.9415 0.9790 0.0324 0.0194 -0.0120 804 GLU A OE1 \n812 O OE2 . GLU A 112 ? 1.2961 1.2086 1.2455 0.0413 0.0297 -0.0153 804 GLU A OE2 \n813 N N . HIS A 113 ? 0.5199 0.4626 0.4966 0.0254 0.0340 -0.0085 805 HIS A N \n814 C CA . HIS A 113 ? 0.5767 0.5193 0.5508 0.0261 0.0414 -0.0084 805 HIS A CA \n815 C C . HIS A 113 ? 0.5795 0.5185 0.5490 0.0218 0.0399 -0.0067 805 HIS A C \n816 O O . HIS A 113 ? 0.6858 0.6267 0.6553 0.0213 0.0457 -0.0062 805 HIS A O \n817 C CB . HIS A 113 ? 0.5816 0.5393 0.5716 0.0280 0.0473 -0.0087 805 HIS A CB \n818 C CG . HIS A 113 ? 0.6849 0.6450 0.6785 0.0329 0.0495 -0.0105 805 HIS A CG \n819 N ND1 . HIS A 113 ? 0.7015 0.6694 0.7060 0.0334 0.0453 -0.0108 805 HIS A ND1 \n820 C CD2 . HIS A 113 ? 0.7209 0.6756 0.7076 0.0376 0.0551 -0.0123 805 HIS A CD2 \n821 C CE1 . HIS A 113 ? 0.7756 0.7428 0.7802 0.0382 0.0478 -0.0125 805 HIS A CE1 \n822 N NE2 . HIS A 113 ? 0.8042 0.7638 0.7986 0.0410 0.0539 -0.0136 805 HIS A NE2 \n823 N N . LYS A 114 ? 0.6002 0.5337 0.5659 0.0187 0.0321 -0.0057 806 LYS A N \n824 C CA . LYS A 114 ? 0.6080 0.5379 0.5702 0.0147 0.0292 -0.0042 806 LYS A CA \n825 C C . LYS A 114 ? 0.7608 0.6818 0.7108 0.0144 0.0349 -0.0038 806 LYS A C \n826 O O . LYS A 114 ? 0.7233 0.6492 0.6778 0.0123 0.0372 -0.0027 806 LYS A O \n827 C CB . LYS A 114 ? 0.5873 0.5082 0.5427 0.0123 0.0202 -0.0035 806 LYS A CB \n828 C CG . LYS A 114 ? 0.7904 0.7055 0.7408 0.0086 0.0163 -0.0020 806 LYS A CG \n829 C CD . LYS A 114 ? 0.8675 0.7736 0.8116 0.0063 0.0072 -0.0012 806 LYS A CD \n830 C CE . LYS A 114 ? 0.8782 0.7789 0.8185 0.0030 0.0031 0.0001 806 LYS A CE \n831 N NZ . LYS A 114 ? 0.8261 0.7127 0.7543 0.0011 -0.0048 0.0010 806 LYS A NZ \n832 N N . ASP A 115 ? 0.7263 0.6340 0.6603 0.0165 0.0373 -0.0048 807 ASP A N \n833 C CA . ASP A 115 ? 0.7804 0.6772 0.6997 0.0161 0.0427 -0.0045 807 ASP A CA \n834 C C . ASP A 115 ? 0.8540 0.7601 0.7799 0.0176 0.0530 -0.0048 807 ASP A C \n835 O O . ASP A 115 ? 0.7816 0.6802 0.6964 0.0167 0.0585 -0.0044 807 ASP A O \n836 C CB . ASP A 115 ? 0.8687 0.7477 0.7680 0.0182 0.0425 -0.0057 807 ASP A CB \n837 C CG . ASP A 115 ? 1.0147 0.8829 0.9061 0.0159 0.0319 -0.0050 807 ASP A CG \n838 O OD1 . ASP A 115 ? 0.9490 0.8207 0.8468 0.0121 0.0255 -0.0033 807 ASP A OD1 \n839 O OD2 . ASP A 115 ? 1.0384 0.8947 0.9173 0.0178 0.0300 -0.0060 807 ASP A OD2 \n840 N N . ASN A 116 ? 0.6258 0.5480 0.5695 0.0196 0.0555 -0.0054 808 ASN A N \n841 C CA . ASN A 116 ? 0.7510 0.6839 0.7038 0.0209 0.0647 -0.0054 808 ASN A CA \n842 C C . ASN A 116 ? 0.6852 0.6342 0.6568 0.0185 0.0639 -0.0041 808 ASN A C \n843 O O . ASN A 116 ? 0.6441 0.6033 0.6254 0.0191 0.0706 -0.0038 808 ASN A O \n844 C CB . ASN A 116 ? 0.6487 0.5854 0.6049 0.0265 0.0703 -0.0076 808 ASN A CB \n845 C CG . ASN A 116 ? 0.8406 0.7616 0.7774 0.0294 0.0744 -0.0091 808 ASN A CG \n846 O OD1 . ASN A 116 ? 0.9816 0.8953 0.9072 0.0282 0.0800 -0.0087 808 ASN A OD1 \n847 N ND2 . ASN A 116 ? 0.8244 0.7393 0.7563 0.0330 0.0715 -0.0109 808 ASN A ND2 \n848 N N . ILE A 117 ? 0.6391 0.5902 0.6160 0.0158 0.0556 -0.0032 809 ILE A N \n849 C CA . ILE A 117 ? 0.5335 0.4983 0.5269 0.0136 0.0539 -0.0021 809 ILE A CA \n850 C C . ILE A 117 ? 0.5969 0.5588 0.5868 0.0093 0.0532 -0.0002 809 ILE A C \n851 O O . ILE A 117 ? 0.5430 0.4950 0.5235 0.0069 0.0474 0.0003 809 ILE A O \n852 C CB . ILE A 117 ? 0.5302 0.5001 0.5324 0.0134 0.0460 -0.0024 809 ILE A CB \n853 C CG1 . ILE A 117 ? 0.4537 0.4281 0.4612 0.0173 0.0468 -0.0040 809 ILE A CG1 \n854 C CG2 . ILE A 117 ? 0.4892 0.4707 0.5056 0.0108 0.0437 -0.0013 809 ILE A CG2 \n855 C CD1 . ILE A 117 ? 0.4454 0.4207 0.4564 0.0169 0.0391 -0.0044 809 ILE A CD1 \n856 N N . GLY A 118 ? 0.5449 0.5155 0.5429 0.0081 0.0587 0.0007 810 GLY A N \n857 C CA . GLY A 118 ? 0.5873 0.5558 0.5829 0.0037 0.0583 0.0026 810 GLY A CA \n858 C C . GLY A 118 ? 0.5178 0.4959 0.5269 0.0015 0.0529 0.0035 810 GLY A C \n859 O O . GLY A 118 ? 0.5092 0.4971 0.5308 0.0032 0.0504 0.0027 810 GLY A O \n860 N N . SER A 119 ? 0.4714 0.4457 0.4770 -0.0023 0.0510 0.0052 811 SER A N \n861 C CA . SER A 119 ? 0.5029 0.4838 0.5189 -0.0043 0.0453 0.0059 811 SER A CA \n862 C C . SER A 119 ? 0.5052 0.5011 0.5379 -0.0038 0.0480 0.0060 811 SER A C \n863 O O . SER A 119 ? 0.4350 0.4377 0.4779 -0.0037 0.0431 0.0056 811 SER A O \n864 C CB . SER A 119 ? 0.5489 0.5218 0.5569 -0.0084 0.0431 0.0076 811 SER A CB \n865 O OG . SER A 119 ? 0.5924 0.5636 0.5952 -0.0103 0.0506 0.0090 811 SER A OG \n866 N N . GLN A 120 ? 0.4439 0.4446 0.4793 -0.0036 0.0559 0.0066 812 GLN A N \n867 C CA . GLN A 120 ? 0.4489 0.4637 0.5003 -0.0035 0.0585 0.0071 812 GLN A CA \n868 C C . GLN A 120 ? 0.4343 0.4570 0.4962 0.0000 0.0561 0.0054 812 GLN A C \n869 O O . GLN A 120 ? 0.3946 0.4263 0.4687 -0.0004 0.0531 0.0056 812 GLN A O \n870 C CB . GLN A 120 ? 0.5184 0.5369 0.5708 -0.0035 0.0678 0.0080 812 GLN A CB \n871 C CG . GLN A 120 ? 0.4949 0.5279 0.5644 -0.0042 0.0703 0.0090 812 GLN A CG \n872 C CD . GLN A 120 ? 0.5588 0.5933 0.6318 -0.0091 0.0671 0.0112 812 GLN A CD \n873 O OE1 . GLN A 120 ? 0.5296 0.5608 0.5971 -0.0127 0.0707 0.0132 812 GLN A OE1 \n874 N NE2 . GLN A 120 ? 0.4927 0.5318 0.5741 -0.0092 0.0604 0.0109 812 GLN A NE2 \n875 N N . TYR A 121 ? 0.3846 0.4033 0.4409 0.0035 0.0573 0.0038 813 TYR A N \n876 C CA . TYR A 121 ? 0.3790 0.4039 0.4437 0.0067 0.0550 0.0022 813 TYR A CA \n877 C C . TYR A 121 ? 0.3641 0.3887 0.4309 0.0058 0.0469 0.0018 813 TYR A C \n878 O O . TYR A 121 ? 0.3389 0.3720 0.4168 0.0064 0.0445 0.0014 813 TYR A O \n879 C CB . TYR A 121 ? 0.4580 0.4766 0.5143 0.0105 0.0575 0.0005 813 TYR A CB \n880 C CG . TYR A 121 ? 0.6258 0.6496 0.6862 0.0132 0.0655 0.0002 813 TYR A CG \n881 C CD1 . TYR A 121 ? 0.6517 0.6852 0.7245 0.0164 0.0662 -0.0007 813 TYR A CD1 \n882 C CD2 . TYR A 121 ? 0.6474 0.6665 0.6996 0.0126 0.0724 0.0008 813 TYR A CD2 \n883 C CE1 . TYR A 121 ? 0.8278 0.8668 0.9058 0.0193 0.0734 -0.0011 813 TYR A CE1 \n884 C CE2 . TYR A 121 ? 0.7789 0.8038 0.8360 0.0153 0.0804 0.0004 813 TYR A CE2 \n885 C CZ . TYR A 121 ? 0.8693 0.9046 0.9400 0.0189 0.0808 -0.0006 813 TYR A CZ \n886 O OH . TYR A 121 ? 0.9235 0.9653 1.0004 0.0220 0.0886 -0.0012 813 TYR A OH \n887 N N . LEU A 122 ? 0.4396 0.4543 0.4958 0.0043 0.0428 0.0018 814 LEU A N \n888 C CA . LEU A 122 ? 0.3665 0.3811 0.4249 0.0036 0.0356 0.0013 814 LEU A CA \n889 C C . LEU A 122 ? 0.4173 0.4395 0.4860 0.0016 0.0331 0.0020 814 LEU A C \n890 O O . LEU A 122 ? 0.3781 0.4062 0.4547 0.0021 0.0296 0.0012 814 LEU A O \n891 C CB . LEU A 122 ? 0.4188 0.4216 0.4649 0.0021 0.0314 0.0015 814 LEU A CB \n892 C CG . LEU A 122 ? 0.4067 0.4004 0.4418 0.0040 0.0312 0.0007 814 LEU A CG \n893 C CD1 . LEU A 122 ? 0.3933 0.3736 0.4142 0.0021 0.0289 0.0014 814 LEU A CD1 \n894 C CD2 . LEU A 122 ? 0.3891 0.3859 0.4291 0.0052 0.0264 -0.0004 814 LEU A CD2 \n895 N N . LEU A 123 ? 0.3817 0.4032 0.4495 -0.0008 0.0350 0.0035 815 LEU A N \n896 C CA . LEU A 123 ? 0.3759 0.4034 0.4524 -0.0028 0.0326 0.0042 815 LEU A CA \n897 C C . LEU A 123 ? 0.3215 0.3603 0.4107 -0.0019 0.0347 0.0042 815 LEU A C \n898 O O . LEU A 123 ? 0.2829 0.3269 0.3800 -0.0023 0.0310 0.0039 815 LEU A O \n899 C CB . LEU A 123 ? 0.3465 0.3691 0.4177 -0.0061 0.0335 0.0060 815 LEU A CB \n900 C CG . LEU A 123 ? 0.4061 0.4170 0.4656 -0.0074 0.0292 0.0061 815 LEU A CG \n901 C CD1 . LEU A 123 ? 0.4393 0.4437 0.4911 -0.0108 0.0312 0.0081 815 LEU A CD1 \n902 C CD2 . LEU A 123 ? 0.4524 0.4642 0.5162 -0.0073 0.0220 0.0052 815 LEU A CD2 \n903 N N . ASN A 124 ? 0.3434 0.3856 0.4348 -0.0006 0.0405 0.0045 816 ASN A N \n904 C CA . ASN A 124 ? 0.3484 0.4013 0.4525 0.0005 0.0420 0.0044 816 ASN A CA \n905 C C . ASN A 124 ? 0.3058 0.3612 0.4138 0.0029 0.0380 0.0027 816 ASN A C \n906 O O . ASN A 124 ? 0.3020 0.3639 0.4190 0.0027 0.0355 0.0026 816 ASN A O \n907 C CB . ASN A 124 ? 0.3402 0.3966 0.4466 0.0021 0.0491 0.0048 816 ASN A CB \n908 C CG . ASN A 124 ? 0.4751 0.5329 0.5821 -0.0009 0.0537 0.0069 816 ASN A CG \n909 O OD1 . ASN A 124 ? 0.5089 0.5652 0.6152 -0.0044 0.0510 0.0083 816 ASN A OD1 \n910 N ND2 . ASN A 124 ? 0.5045 0.5652 0.6127 0.0004 0.0607 0.0072 816 ASN A ND2 \n911 N N . TRP A 125 ? 0.3493 0.3987 0.4495 0.0049 0.0370 0.0014 817 TRP A N \n912 C CA . TRP A 125 ? 0.3803 0.4316 0.4835 0.0064 0.0330 0.0000 817 TRP A CA \n913 C C . TRP A 125 ? 0.3072 0.3602 0.4139 0.0045 0.0278 0.0000 817 TRP A C \n914 O O . TRP A 125 ? 0.2947 0.3528 0.4079 0.0050 0.0255 -0.0007 817 TRP A O \n915 C CB . TRP A 125 ? 0.4000 0.4440 0.4940 0.0082 0.0322 -0.0010 817 TRP A CB \n916 C CG . TRP A 125 ? 0.4051 0.4471 0.4957 0.0110 0.0372 -0.0014 817 TRP A CG \n917 C CD1 . TRP A 125 ? 0.4358 0.4846 0.5342 0.0128 0.0414 -0.0013 817 TRP A CD1 \n918 C CD2 . TRP A 125 ? 0.3837 0.4162 0.4623 0.0123 0.0385 -0.0020 817 TRP A CD2 \n919 N NE1 . TRP A 125 ? 0.3879 0.4321 0.4799 0.0157 0.0456 -0.0021 817 TRP A NE1 \n920 C CE2 . TRP A 125 ? 0.4976 0.5312 0.5766 0.0153 0.0439 -0.0025 817 TRP A CE2 \n921 C CE3 . TRP A 125 ? 0.4140 0.4367 0.4814 0.0113 0.0352 -0.0021 817 TRP A CE3 \n922 C CZ2 . TRP A 125 ? 0.4287 0.4532 0.4962 0.0175 0.0466 -0.0033 817 TRP A CZ2 \n923 C CZ3 . TRP A 125 ? 0.4509 0.4642 0.5066 0.0130 0.0373 -0.0027 817 TRP A CZ3 \n924 C CH2 . TRP A 125 ? 0.4765 0.4904 0.5318 0.0162 0.0431 -0.0034 817 TRP A CH2 \n925 N N . CYS A 126 ? 0.3464 0.3947 0.4482 0.0025 0.0259 0.0003 818 CYS A N \n926 C CA . CYS A 126 ? 0.3069 0.3563 0.4116 0.0013 0.0211 0.0000 818 CYS A CA \n927 C C . CYS A 126 ? 0.2921 0.3482 0.4057 0.0003 0.0208 0.0004 818 CYS A C \n928 O O . CYS A 126 ? 0.2523 0.3117 0.3705 0.0003 0.0177 -0.0004 818 CYS A O \n929 C CB . CYS A 126 ? 0.3421 0.3845 0.4399 -0.0002 0.0189 0.0004 818 CYS A CB \n930 S SG . CYS A 126 ? 0.3710 0.4046 0.4582 0.0006 0.0172 -0.0001 818 CYS A SG \n931 N N . VAL A 127 ? 0.3164 0.3745 0.4322 -0.0007 0.0243 0.0019 819 VAL A N \n932 C CA . VAL A 127 ? 0.2773 0.3416 0.4019 -0.0020 0.0239 0.0028 819 VAL A CA \n933 C C . VAL A 127 ? 0.2173 0.2877 0.3490 -0.0003 0.0235 0.0020 819 VAL A C \n934 O O . VAL A 127 ? 0.2825 0.3557 0.4190 -0.0008 0.0203 0.0016 819 VAL A O \n935 C CB . VAL A 127 ? 0.3231 0.3894 0.4498 -0.0039 0.0281 0.0049 819 VAL A CB \n936 C CG1 . VAL A 127 ? 0.3507 0.4240 0.4876 -0.0053 0.0271 0.0059 819 VAL A CG1 \n937 C CG2 . VAL A 127 ? 0.3588 0.4182 0.4779 -0.0064 0.0276 0.0060 819 VAL A CG2 \n938 N N . GLN A 128 ? 0.2513 0.3228 0.3831 0.0017 0.0268 0.0018 820 GLN A N \n939 C CA . GLN A 128 ? 0.2343 0.3107 0.3724 0.0036 0.0263 0.0011 820 GLN A CA \n940 C C . GLN A 128 ? 0.2965 0.3717 0.4333 0.0041 0.0219 -0.0003 820 GLN A C \n941 O O . GLN A 128 ? 0.2587 0.3376 0.4011 0.0040 0.0197 -0.0005 820 GLN A O \n942 C CB . GLN A 128 ? 0.3116 0.3877 0.4483 0.0063 0.0303 0.0008 820 GLN A CB \n943 C CG . GLN A 128 ? 0.3014 0.3815 0.4428 0.0061 0.0354 0.0022 820 GLN A CG \n944 C CD . GLN A 128 ? 0.4360 0.5151 0.5750 0.0092 0.0401 0.0016 820 GLN A CD \n945 O OE1 . GLN A 128 ? 0.4226 0.4990 0.5583 0.0119 0.0390 0.0001 820 GLN A OE1 \n946 N NE2 . GLN A 128 ? 0.4222 0.5032 0.5624 0.0089 0.0458 0.0027 820 GLN A NE2 \n947 N N . ILE A 129 ? 0.2745 0.3444 0.4037 0.0043 0.0208 -0.0012 821 ILE A N \n948 C CA . ILE A 129 ? 0.2781 0.3473 0.4062 0.0043 0.0171 -0.0025 821 ILE A CA \n949 C C . ILE A 129 ? 0.2023 0.2736 0.3339 0.0027 0.0142 -0.0027 821 ILE A C \n950 O O . ILE A 129 ? 0.2201 0.2936 0.3545 0.0026 0.0121 -0.0034 821 ILE A O \n951 C CB . ILE A 129 ? 0.3011 0.3648 0.4214 0.0047 0.0162 -0.0033 821 ILE A CB \n952 C CG1 . ILE A 129 ? 0.2612 0.3216 0.3769 0.0065 0.0184 -0.0033 821 ILE A CG1 \n953 C CG2 . ILE A 129 ? 0.2427 0.3072 0.3634 0.0041 0.0127 -0.0044 821 ILE A CG2 \n954 C CD1 . ILE A 129 ? 0.2546 0.3081 0.3614 0.0065 0.0177 -0.0036 821 ILE A CD1 \n955 N N . ALA A 130 ? 0.2263 0.2961 0.3571 0.0013 0.0141 -0.0020 822 ALA A N \n956 C CA . ALA A 130 ? 0.2648 0.3356 0.3983 0.0001 0.0114 -0.0023 822 ALA A CA \n957 C C . ALA A 130 ? 0.2176 0.2927 0.3577 -0.0005 0.0110 -0.0015 822 ALA A C \n958 O O . ALA A 130 ? 0.2110 0.2869 0.3528 -0.0010 0.0083 -0.0023 822 ALA A O \n959 C CB . ALA A 130 ? 0.3410 0.4080 0.4714 -0.0011 0.0108 -0.0016 822 ALA A CB \n960 N N . LYS A 131 ? 0.2165 0.2944 0.3604 -0.0005 0.0136 -0.0001 823 LYS A N \n961 C CA . LYS A 131 ? 0.2365 0.3187 0.3876 -0.0012 0.0124 0.0006 823 LYS A CA \n962 C C . LYS A 131 ? 0.2161 0.2993 0.3682 0.0000 0.0104 -0.0006 823 LYS A C \n963 O O . LYS A 131 ? 0.2511 0.3350 0.4057 -0.0009 0.0074 -0.0007 823 LYS A O \n964 C CB . LYS A 131 ? 0.2041 0.2903 0.3607 -0.0013 0.0159 0.0023 823 LYS A CB \n965 C CG . LYS A 131 ? 0.2813 0.3670 0.4377 -0.0035 0.0178 0.0041 823 LYS A CG \n966 C CD . LYS A 131 ? 0.3170 0.4080 0.4799 -0.0036 0.0221 0.0058 823 LYS A CD \n967 C CE . LYS A 131 ? 0.3869 0.4766 0.5481 -0.0065 0.0244 0.0077 823 LYS A CE \n968 N NZ . LYS A 131 ? 0.3992 0.4952 0.5680 -0.0073 0.0289 0.0096 823 LYS A NZ \n969 N N . GLY A 132 ? 0.2438 0.3263 0.3933 0.0018 0.0118 -0.0013 824 GLY A N \n970 C CA . GLY A 132 ? 0.2949 0.3773 0.4442 0.0027 0.0097 -0.0023 824 GLY A CA \n971 C C . GLY A 132 ? 0.2556 0.3358 0.4010 0.0017 0.0070 -0.0037 824 GLY A C \n972 O O . GLY A 132 ? 0.2320 0.3121 0.3780 0.0012 0.0045 -0.0042 824 GLY A O \n973 N N . MET A 133 ? 0.2756 0.3535 0.4168 0.0014 0.0074 -0.0044 825 MET A N \n974 C CA . MET A 133 ? 0.2415 0.3182 0.3800 0.0008 0.0054 -0.0058 825 MET A CA \n975 C C . MET A 133 ? 0.2200 0.2969 0.3609 -0.0002 0.0034 -0.0059 825 MET A C \n976 O O . MET A 133 ? 0.2570 0.3332 0.3967 -0.0006 0.0016 -0.0069 825 MET A O \n977 C CB . MET A 133 ? 0.2697 0.3444 0.4045 0.0011 0.0059 -0.0065 825 MET A CB \n978 C CG . MET A 133 ? 0.2882 0.3616 0.4196 0.0018 0.0070 -0.0066 825 MET A CG \n979 S SD . MET A 133 ? 0.2980 0.3717 0.4276 0.0016 0.0059 -0.0075 825 MET A SD \n980 C CE . MET A 133 ? 0.2782 0.3528 0.4072 0.0007 0.0047 -0.0091 825 MET A CE \n981 N N . ASN A 134 ? 0.2729 0.3501 0.4164 -0.0009 0.0036 -0.0046 826 ASN A N \n982 C CA . ASN A 134 ? 0.2637 0.3402 0.4089 -0.0022 0.0011 -0.0043 826 ASN A CA \n983 C C . ASN A 134 ? 0.2311 0.3089 0.3793 -0.0028 -0.0006 -0.0039 826 ASN A C \n984 O O . ASN A 134 ? 0.2049 0.2805 0.3518 -0.0036 -0.0033 -0.0046 826 ASN A O \n985 C CB . ASN A 134 ? 0.2552 0.3316 0.4025 -0.0035 0.0015 -0.0026 826 ASN A CB \n986 C CG . ASN A 134 ? 0.2872 0.3618 0.4355 -0.0050 -0.0016 -0.0023 826 ASN A CG \n987 O OD1 . ASN A 134 ? 0.2790 0.3502 0.4236 -0.0048 -0.0035 -0.0039 826 ASN A OD1 \n988 N ND2 . ASN A 134 ? 0.3161 0.3930 0.4697 -0.0067 -0.0022 -0.0003 826 ASN A ND2 \n989 N N . TYR A 135 ? 0.3105 0.3910 0.4622 -0.0022 0.0005 -0.0029 827 TYR A N \n990 C CA . TYR A 135 ? 0.3005 0.3817 0.4551 -0.0024 -0.0018 -0.0025 827 TYR A CA \n991 C C . TYR A 135 ? 0.3095 0.3877 0.4586 -0.0023 -0.0034 -0.0042 827 TYR A C \n992 O O . TYR A 135 ? 0.2580 0.3339 0.4059 -0.0033 -0.0064 -0.0045 827 TYR A O \n993 C CB . TYR A 135 ? 0.2700 0.3548 0.4300 -0.0012 -0.0002 -0.0013 827 TYR A CB \n994 C CG . TYR A 135 ? 0.2522 0.3374 0.4155 -0.0012 -0.0034 -0.0009 827 TYR A CG \n995 C CD1 . TYR A 135 ? 0.2716 0.3591 0.4421 -0.0025 -0.0058 0.0007 827 TYR A CD1 \n996 C CD2 . TYR A 135 ? 0.2559 0.3387 0.4152 -0.0003 -0.0044 -0.0020 827 TYR A CD2 \n997 C CE1 . TYR A 135 ? 0.2225 0.3097 0.3960 -0.0025 -0.0096 0.0010 827 TYR A CE1 \n998 C CE2 . TYR A 135 ? 0.2327 0.3144 0.3938 -0.0004 -0.0080 -0.0017 827 TYR A CE2 \n999 C CZ . TYR A 135 ? 0.2952 0.3792 0.4638 -0.0014 -0.0107 -0.0001 827 TYR A CZ \n1000 O OH . TYR A 135 ? 0.2765 0.3587 0.4465 -0.0015 -0.0149 0.0002 827 TYR A OH \n1001 N N . LEU A 136 ? 0.2850 0.3626 0.4299 -0.0013 -0.0014 -0.0054 828 LEU A N \n1002 C CA . LEU A 136 ? 0.3200 0.3949 0.4593 -0.0017 -0.0024 -0.0069 828 LEU A CA \n1003 C C . LEU A 136 ? 0.2565 0.3293 0.3928 -0.0026 -0.0035 -0.0082 828 LEU A C \n1004 O O . LEU A 136 ? 0.2420 0.3121 0.3745 -0.0035 -0.0050 -0.0091 828 LEU A O \n1005 C CB . LEU A 136 ? 0.2383 0.3133 0.3743 -0.0009 -0.0003 -0.0076 828 LEU A CB \n1006 C CG . LEU A 136 ? 0.2675 0.3429 0.4044 0.0001 0.0003 -0.0067 828 LEU A CG \n1007 C CD1 . LEU A 136 ? 0.3675 0.4418 0.5000 0.0006 0.0018 -0.0074 828 LEU A CD1 \n1008 C CD2 . LEU A 136 ? 0.3425 0.4162 0.4790 -0.0001 -0.0022 -0.0065 828 LEU A CD2 \n1009 N N . GLU A 137 ? 0.2623 0.3355 0.3995 -0.0023 -0.0028 -0.0084 829 GLU A N \n1010 C CA . GLU A 137 ? 0.2497 0.3204 0.3839 -0.0026 -0.0038 -0.0099 829 GLU A CA \n1011 C C . GLU A 137 ? 0.2903 0.3582 0.4246 -0.0038 -0.0070 -0.0093 829 GLU A C \n1012 O O . GLU A 137 ? 0.2719 0.3362 0.4016 -0.0043 -0.0083 -0.0107 829 GLU A O \n1013 C CB . GLU A 137 ? 0.2417 0.3127 0.3766 -0.0018 -0.0029 -0.0103 829 GLU A CB \n1014 C CG . GLU A 137 ? 0.3239 0.3920 0.4559 -0.0013 -0.0041 -0.0121 829 GLU A CG \n1015 C CD . GLU A 137 ? 0.3011 0.3689 0.4336 -0.0002 -0.0038 -0.0127 829 GLU A CD \n1016 O OE1 . GLU A 137 ? 0.3522 0.4214 0.4866 -0.0001 -0.0029 -0.0114 829 GLU A OE1 \n1017 O OE2 . GLU A 137 ? 0.2614 0.3266 0.3918 0.0006 -0.0049 -0.0144 829 GLU A OE2 \n1018 N N . ASP A 138 ? 0.2938 0.3631 0.4331 -0.0046 -0.0082 -0.0072 830 ASP A N \n1019 C CA . ASP A 138 ? 0.3482 0.4150 0.4885 -0.0061 -0.0120 -0.0063 830 ASP A CA \n1020 C C . ASP A 138 ? 0.3156 0.3800 0.4526 -0.0065 -0.0138 -0.0067 830 ASP A C \n1021 O O . ASP A 138 ? 0.3396 0.3992 0.4729 -0.0077 -0.0169 -0.0071 830 ASP A O \n1022 C CB . ASP A 138 ? 0.3161 0.3864 0.4643 -0.0069 -0.0127 -0.0037 830 ASP A CB \n1023 C CG . ASP A 138 ? 0.3517 0.4220 0.5013 -0.0076 -0.0123 -0.0029 830 ASP A CG \n1024 O OD1 . ASP A 138 ? 0.3534 0.4276 0.5086 -0.0080 -0.0106 -0.0011 830 ASP A OD1 \n1025 O OD2 . ASP A 138 ? 0.3670 0.4331 0.5118 -0.0077 -0.0135 -0.0042 830 ASP A OD2 \n1026 N N . ARG A 139 ? 0.2447 0.3112 0.3820 -0.0057 -0.0120 -0.0067 831 ARG A N \n1027 C CA . ARG A 139 ? 0.2861 0.3495 0.4191 -0.0063 -0.0137 -0.0072 831 ARG A CA \n1028 C C . ARG A 139 ? 0.3278 0.3880 0.4524 -0.0066 -0.0122 -0.0094 831 ARG A C \n1029 O O . ARG A 139 ? 0.3677 0.4246 0.4871 -0.0076 -0.0132 -0.0099 831 ARG A O \n1030 C CB . ARG A 139 ? 0.3281 0.3942 0.4641 -0.0053 -0.0129 -0.0063 831 ARG A CB \n1031 C CG . ARG A 139 ? 0.5493 0.6181 0.6935 -0.0049 -0.0150 -0.0043 831 ARG A CG \n1032 C CD . ARG A 139 ? 0.6223 0.6872 0.7664 -0.0066 -0.0200 -0.0036 831 ARG A CD \n1033 N NE . ARG A 139 ? 0.7011 0.7682 0.8531 -0.0064 -0.0231 -0.0017 831 ARG A NE \n1034 C CZ . ARG A 139 ? 0.6608 0.7280 0.8142 -0.0051 -0.0242 -0.0015 831 ARG A CZ \n1035 N NH1 . ARG A 139 ? 0.4717 0.5413 0.6335 -0.0046 -0.0273 0.0000 831 ARG A NH1 \n1036 N NH2 . ARG A 139 ? 0.8824 0.9473 1.0291 -0.0044 -0.0223 -0.0028 831 ARG A NH2 \n1037 N N . ARG A 140 ? 0.3438 0.4049 0.4673 -0.0059 -0.0099 -0.0108 832 ARG A N \n1038 C CA . ARG A 140 ? 0.2688 0.3284 0.3860 -0.0060 -0.0077 -0.0130 832 ARG A CA \n1039 C C . ARG A 140 ? 0.2808 0.3420 0.3960 -0.0063 -0.0057 -0.0132 832 ARG A C \n1040 O O . ARG A 140 ? 0.4504 0.5093 0.5596 -0.0075 -0.0049 -0.0143 832 ARG A O \n1041 C CB . ARG A 140 ? 0.2841 0.3375 0.3945 -0.0071 -0.0098 -0.0141 832 ARG A CB \n1042 C CG . ARG A 140 ? 0.4358 0.4866 0.5476 -0.0069 -0.0124 -0.0139 832 ARG A CG \n1043 C CD . ARG A 140 ? 0.5166 0.5598 0.6205 -0.0080 -0.0149 -0.0150 832 ARG A CD \n1044 N NE . ARG A 140 ? 0.5085 0.5499 0.6058 -0.0072 -0.0117 -0.0178 832 ARG A NE \n1045 C CZ . ARG A 140 ? 0.7086 0.7431 0.7968 -0.0081 -0.0123 -0.0193 832 ARG A CZ \n1046 N NH1 . ARG A 140 ? 0.7962 0.8305 0.8795 -0.0070 -0.0083 -0.0220 832 ARG A NH1 \n1047 N NH2 . ARG A 140 ? 0.6245 0.6521 0.7082 -0.0099 -0.0168 -0.0182 832 ARG A NH2 \n1048 N N . LEU A 141 ? 0.2907 0.3555 0.4103 -0.0055 -0.0048 -0.0120 833 LEU A N \n1049 C CA . LEU A 141 ? 0.3721 0.4378 0.4899 -0.0058 -0.0034 -0.0119 833 LEU A CA \n1050 C C . LEU A 141 ? 0.3766 0.4462 0.4969 -0.0047 -0.0007 -0.0122 833 LEU A C \n1051 O O . LEU A 141 ? 0.3213 0.3928 0.4457 -0.0034 -0.0004 -0.0112 833 LEU A O \n1052 C CB . LEU A 141 ? 0.3742 0.4393 0.4941 -0.0055 -0.0054 -0.0102 833 LEU A CB \n1053 C CG . LEU A 141 ? 0.4258 0.4891 0.5419 -0.0061 -0.0056 -0.0099 833 LEU A CG \n1054 C CD1 . LEU A 141 ? 0.5465 0.6095 0.6662 -0.0049 -0.0076 -0.0085 833 LEU A CD1 \n1055 C CD2 . LEU A 141 ? 0.6011 0.6667 0.7163 -0.0060 -0.0028 -0.0103 833 LEU A CD2 \n1056 N N . VAL A 142 ? 0.2756 0.3463 0.3933 -0.0052 0.0011 -0.0136 834 VAL A N \n1057 C CA . VAL A 142 ? 0.2583 0.3323 0.3784 -0.0044 0.0029 -0.0139 834 VAL A CA \n1058 C C . VAL A 142 ? 0.2312 0.3049 0.3502 -0.0050 0.0028 -0.0126 834 VAL A C \n1059 O O . VAL A 142 ? 0.2926 0.3642 0.4076 -0.0066 0.0022 -0.0124 834 VAL A O \n1060 C CB . VAL A 142 ? 0.2625 0.3387 0.3815 -0.0049 0.0049 -0.0157 834 VAL A CB \n1061 C CG1 . VAL A 142 ? 0.2351 0.3148 0.3580 -0.0039 0.0059 -0.0158 834 VAL A CG1 \n1062 C CG2 . VAL A 142 ? 0.2941 0.3690 0.4126 -0.0041 0.0049 -0.0172 834 VAL A CG2 \n1063 N N . HIS A 143 ? 0.2424 0.3173 0.3641 -0.0037 0.0031 -0.0119 835 HIS A N \n1064 C CA . HIS A 143 ? 0.2303 0.3038 0.3504 -0.0037 0.0029 -0.0108 835 HIS A CA \n1065 C C . HIS A 143 ? 0.2785 0.3524 0.3958 -0.0054 0.0033 -0.0111 835 HIS A C \n1066 O O . HIS A 143 ? 0.2772 0.3489 0.3905 -0.0070 0.0026 -0.0107 835 HIS A O \n1067 C CB . HIS A 143 ? 0.2254 0.2991 0.3477 -0.0020 0.0035 -0.0101 835 HIS A CB \n1068 C CG . HIS A 143 ? 0.2639 0.3350 0.3840 -0.0013 0.0033 -0.0090 835 HIS A CG \n1069 N ND1 . HIS A 143 ? 0.2639 0.3331 0.3801 -0.0022 0.0028 -0.0089 835 HIS A ND1 \n1070 C CD2 . HIS A 143 ? 0.3124 0.3823 0.4335 0.0003 0.0037 -0.0082 835 HIS A CD2 \n1071 C CE1 . HIS A 143 ? 0.2792 0.3452 0.3931 -0.0010 0.0026 -0.0081 835 HIS A CE1 \n1072 N NE2 . HIS A 143 ? 0.2829 0.3498 0.4002 0.0008 0.0035 -0.0078 835 HIS A NE2 \n1073 N N . ARG A 144 ? 0.2578 0.3346 0.3775 -0.0053 0.0043 -0.0119 836 ARG A N \n1074 C CA . ARG A 144 ? 0.2466 0.3254 0.3657 -0.0070 0.0048 -0.0121 836 ARG A CA \n1075 C C . ARG A 144 ? 0.3245 0.4013 0.4417 -0.0075 0.0037 -0.0108 836 ARG A C \n1076 O O . ARG A 144 ? 0.3320 0.4106 0.4494 -0.0093 0.0036 -0.0108 836 ARG A O \n1077 C CB . ARG A 144 ? 0.3143 0.3933 0.4301 -0.0095 0.0055 -0.0126 836 ARG A CB \n1078 C CG . ARG A 144 ? 0.3063 0.3864 0.4226 -0.0093 0.0068 -0.0141 836 ARG A CG \n1079 C CD . ARG A 144 ? 0.3889 0.4679 0.5002 -0.0120 0.0077 -0.0144 836 ARG A CD \n1080 N NE . ARG A 144 ? 0.3925 0.4712 0.5027 -0.0116 0.0089 -0.0160 836 ARG A NE \n1081 C CZ . ARG A 144 ? 0.4796 0.5540 0.5869 -0.0112 0.0073 -0.0159 836 ARG A CZ \n1082 N NH1 . ARG A 144 ? 0.4962 0.5672 0.6027 -0.0109 0.0047 -0.0144 836 ARG A NH1 \n1083 N NH2 . ARG A 144 ? 0.5225 0.5957 0.6277 -0.0110 0.0083 -0.0175 836 ARG A NH2 \n1084 N N . ASP A 145 ? 0.2918 0.3649 0.4072 -0.0060 0.0028 -0.0099 837 ASP A N \n1085 C CA . ASP A 145 ? 0.3226 0.3922 0.4347 -0.0061 0.0017 -0.0089 837 ASP A CA \n1086 C C . ASP A 145 ? 0.2545 0.3213 0.3662 -0.0036 0.0019 -0.0083 837 ASP A C \n1087 O O . ASP A 145 ? 0.2949 0.3572 0.4025 -0.0028 0.0014 -0.0076 837 ASP A O \n1088 C CB . ASP A 145 ? 0.3879 0.4540 0.4949 -0.0078 0.0005 -0.0082 837 ASP A CB \n1089 C CG . ASP A 145 ? 0.4482 0.5099 0.5507 -0.0084 -0.0011 -0.0072 837 ASP A CG \n1090 O OD1 . ASP A 145 ? 0.4477 0.5045 0.5450 -0.0087 -0.0024 -0.0066 837 ASP A OD1 \n1091 O OD2 . ASP A 145 ? 0.4400 0.5023 0.5435 -0.0087 -0.0015 -0.0070 837 ASP A OD2 \n1092 N N . LEU A 146 ? 0.2286 0.2974 0.3440 -0.0023 0.0028 -0.0087 838 LEU A N \n1093 C CA . LEU A 146 ? 0.2692 0.3353 0.3837 -0.0004 0.0034 -0.0081 838 LEU A CA \n1094 C C . LEU A 146 ? 0.3420 0.4044 0.4528 -0.0006 0.0024 -0.0076 838 LEU A C \n1095 O O . LEU A 146 ? 0.2428 0.3066 0.3549 -0.0017 0.0011 -0.0079 838 LEU A O \n1096 C CB . LEU A 146 ? 0.2292 0.2976 0.3477 0.0004 0.0043 -0.0084 838 LEU A CB \n1097 C CG . LEU A 146 ? 0.2123 0.2779 0.3295 0.0018 0.0055 -0.0075 838 LEU A CG \n1098 C CD1 . LEU A 146 ? 0.2430 0.3078 0.3599 0.0029 0.0070 -0.0069 838 LEU A CD1 \n1099 C CD2 . LEU A 146 ? 0.2684 0.3358 0.3892 0.0019 0.0058 -0.0077 838 LEU A CD2 \n1100 N N . ALA A 147 ? 0.2679 0.3253 0.3740 0.0005 0.0029 -0.0069 839 ALA A N \n1101 C CA . ALA A 147 ? 0.2880 0.3398 0.3884 0.0005 0.0017 -0.0063 839 ALA A CA \n1102 C C . ALA A 147 ? 0.2938 0.3407 0.3896 0.0026 0.0036 -0.0059 839 ALA A C \n1103 O O . ALA A 147 ? 0.3003 0.3488 0.3980 0.0039 0.0053 -0.0061 839 ALA A O \n1104 C CB . ALA A 147 ? 0.2913 0.3414 0.3888 -0.0014 -0.0006 -0.0061 839 ALA A CB \n1105 N N . ALA A 148 ? 0.2782 0.3191 0.3681 0.0031 0.0035 -0.0055 840 ALA A N \n1106 C CA . ALA A 148 ? 0.3170 0.3526 0.4015 0.0053 0.0060 -0.0053 840 ALA A CA \n1107 C C . ALA A 148 ? 0.3748 0.4080 0.4564 0.0065 0.0060 -0.0056 840 ALA A C \n1108 O O . ALA A 148 ? 0.2922 0.3251 0.3738 0.0090 0.0088 -0.0058 840 ALA A O \n1109 C CB . ALA A 148 ? 0.3648 0.3926 0.4413 0.0053 0.0054 -0.0048 840 ALA A CB \n1110 N N . ARG A 149 ? 0.2988 0.3306 0.3783 0.0048 0.0028 -0.0055 841 ARG A N \n1111 C CA . ARG A 149 ? 0.3912 0.4204 0.4679 0.0056 0.0020 -0.0057 841 ARG A CA \n1112 C C . ARG A 149 ? 0.3389 0.3737 0.4220 0.0067 0.0033 -0.0062 841 ARG A C \n1113 O O . ARG A 149 ? 0.3461 0.3780 0.4270 0.0086 0.0033 -0.0065 841 ARG A O \n1114 C CB . ARG A 149 ? 0.3254 0.3523 0.3989 0.0026 -0.0018 -0.0052 841 ARG A CB \n1115 C CG . ARG A 149 ? 0.3017 0.3362 0.3821 0.0000 -0.0028 -0.0053 841 ARG A CG \n1116 C CD . ARG A 149 ? 0.3369 0.3701 0.4149 -0.0035 -0.0061 -0.0045 841 ARG A CD \n1117 N NE . ARG A 149 ? 0.3541 0.3954 0.4393 -0.0058 -0.0058 -0.0048 841 ARG A NE \n1118 C CZ . ARG A 149 ? 0.4556 0.5014 0.5456 -0.0069 -0.0060 -0.0048 841 ARG A CZ \n1119 N NH1 . ARG A 149 ? 0.3996 0.4418 0.4875 -0.0064 -0.0071 -0.0044 841 ARG A NH1 \n1120 N NH2 . ARG A 149 ? 0.3827 0.4359 0.4793 -0.0084 -0.0051 -0.0054 841 ARG A NH2 \n1121 N N . ASN A 150 ? 0.2986 0.3407 0.3894 0.0056 0.0041 -0.0062 842 ASN A N \n1122 C CA . ASN A 150 ? 0.3323 0.3794 0.4292 0.0061 0.0046 -0.0065 842 ASN A CA \n1123 C C . ASN A 150 ? 0.2613 0.3121 0.3636 0.0081 0.0076 -0.0065 842 ASN A C \n1124 O O . ASN A 150 ? 0.2997 0.3555 0.4083 0.0079 0.0077 -0.0065 842 ASN A O \n1125 C CB . ASN A 150 ? 0.3173 0.3690 0.4177 0.0033 0.0030 -0.0067 842 ASN A CB \n1126 C CG . ASN A 150 ? 0.4294 0.4782 0.5252 0.0011 0.0004 -0.0065 842 ASN A CG \n1127 O OD1 . ASN A 150 ? 0.3412 0.3850 0.4324 0.0020 -0.0007 -0.0064 842 ASN A OD1 \n1128 N ND2 . ASN A 150 ? 0.3278 0.3796 0.4250 -0.0017 -0.0004 -0.0066 842 ASN A ND2 \n1129 N N . VAL A 151 ? 0.2519 0.2996 0.3511 0.0097 0.0099 -0.0063 843 VAL A N \n1130 C CA . VAL A 151 ? 0.3401 0.3906 0.4435 0.0116 0.0135 -0.0060 843 VAL A CA \n1131 C C . VAL A 151 ? 0.3500 0.3961 0.4494 0.0148 0.0154 -0.0064 843 VAL A C \n1132 O O . VAL A 151 ? 0.3605 0.3996 0.4514 0.0154 0.0152 -0.0066 843 VAL A O \n1133 C CB . VAL A 151 ? 0.3035 0.3535 0.4057 0.0107 0.0152 -0.0055 843 VAL A CB \n1134 C CG1 . VAL A 151 ? 0.2925 0.3456 0.3991 0.0120 0.0192 -0.0050 843 VAL A CG1 \n1135 C CG2 . VAL A 151 ? 0.2531 0.3066 0.3588 0.0080 0.0128 -0.0055 843 VAL A CG2 \n1136 N N . LEU A 152 ? 0.3408 0.3908 0.4464 0.0170 0.0170 -0.0065 844 LEU A N \n1137 C CA . LEU A 152 ? 0.3145 0.3611 0.4176 0.0208 0.0189 -0.0072 844 LEU A CA \n1138 C C . LEU A 152 ? 0.3522 0.4021 0.4594 0.0230 0.0242 -0.0070 844 LEU A C \n1139 O O . LEU A 152 ? 0.3217 0.3784 0.4370 0.0217 0.0255 -0.0062 844 LEU A O \n1140 C CB . LEU A 152 ? 0.3413 0.3893 0.4485 0.0221 0.0160 -0.0077 844 LEU A CB \n1141 C CG . LEU A 152 ? 0.3468 0.3911 0.4492 0.0196 0.0110 -0.0077 844 LEU A CG \n1142 C CD1 . LEU A 152 ? 0.3691 0.4127 0.4733 0.0208 0.0079 -0.0081 844 LEU A CD1 \n1143 C CD2 . LEU A 152 ? 0.4076 0.4436 0.4991 0.0191 0.0101 -0.0079 844 LEU A CD2 \n1144 N N . VAL A 153 ? 0.3750 0.4196 0.4762 0.0261 0.0272 -0.0078 845 VAL A N \n1145 C CA . VAL A 153 ? 0.4231 0.4704 0.5273 0.0284 0.0332 -0.0078 845 VAL A CA \n1146 C C . VAL A 153 ? 0.4480 0.5015 0.5621 0.0320 0.0348 -0.0083 845 VAL A C \n1147 O O . VAL A 153 ? 0.4598 0.5093 0.5712 0.0355 0.0340 -0.0095 845 VAL A O \n1148 C CB . VAL A 153 ? 0.4368 0.4746 0.5284 0.0301 0.0362 -0.0085 845 VAL A CB \n1149 C CG1 . VAL A 153 ? 0.3912 0.4315 0.4848 0.0323 0.0433 -0.0085 845 VAL A CG1 \n1150 C CG2 . VAL A 153 ? 0.3953 0.4271 0.4781 0.0264 0.0337 -0.0077 845 VAL A CG2 \n1151 N N . LYS A 154 ? 0.3941 0.4571 0.5201 0.0311 0.0365 -0.0073 846 LYS A N \n1152 C CA . LYS A 154 ? 0.4828 0.5529 0.6200 0.0345 0.0386 -0.0075 846 LYS A CA \n1153 C C . LYS A 154 ? 0.4150 0.4851 0.5509 0.0375 0.0460 -0.0080 846 LYS A C \n1154 O O . LYS A 154 ? 0.4911 0.5598 0.6270 0.0422 0.0480 -0.0095 846 LYS A O \n1155 C CB . LYS A 154 ? 0.3972 0.4772 0.5476 0.0320 0.0372 -0.0060 846 LYS A CB \n1156 C CG . LYS A 154 ? 0.5679 0.6557 0.7315 0.0353 0.0380 -0.0061 846 LYS A CG \n1157 C CD . LYS A 154 ? 0.6311 0.7286 0.8073 0.0323 0.0381 -0.0042 846 LYS A CD \n1158 C CE . LYS A 154 ? 0.8648 0.9683 1.0532 0.0337 0.0340 -0.0040 846 LYS A CE \n1159 N NZ . LYS A 154 ? 0.6703 0.7794 0.8681 0.0386 0.0380 -0.0046 846 LYS A NZ \n1160 N N . THR A 155 ? 0.3995 0.4706 0.5335 0.0348 0.0499 -0.0068 847 THR A N \n1161 C CA . THR A 155 ? 0.4406 0.5088 0.5687 0.0366 0.0571 -0.0072 847 THR A CA \n1162 C C . THR A 155 ? 0.5646 0.6256 0.6811 0.0326 0.0570 -0.0064 847 THR A C \n1163 O O . THR A 155 ? 0.5342 0.5963 0.6518 0.0287 0.0525 -0.0053 847 THR A O \n1164 C CB . THR A 155 ? 0.4591 0.5379 0.5997 0.0372 0.0634 -0.0063 847 THR A CB \n1165 O OG1 . THR A 155 ? 0.4338 0.5175 0.5788 0.0320 0.0631 -0.0041 847 THR A OG1 \n1166 C CG2 . THR A 155 ? 0.5178 0.6057 0.6732 0.0406 0.0622 -0.0068 847 THR A CG2 \n1167 N N . PRO A 156 ? 0.5518 0.6051 0.6568 0.0338 0.0617 -0.0069 848 PRO A N \n1168 C CA . PRO A 156 ? 0.5172 0.5631 0.6111 0.0299 0.0613 -0.0059 848 PRO A CA \n1169 C C . PRO A 156 ? 0.5173 0.5702 0.6187 0.0253 0.0609 -0.0039 848 PRO A C \n1170 O O . PRO A 156 ? 0.5339 0.5819 0.6290 0.0218 0.0575 -0.0031 848 PRO A O \n1171 C CB . PRO A 156 ? 0.5562 0.5957 0.6402 0.0320 0.0684 -0.0066 848 PRO A CB \n1172 C CG . PRO A 156 ? 0.6456 0.6839 0.7296 0.0377 0.0702 -0.0087 848 PRO A CG \n1173 C CD . PRO A 156 ? 0.6294 0.6780 0.7288 0.0389 0.0666 -0.0088 848 PRO A CD \n1174 N N . GLN A 157 ? 0.4885 0.5522 0.6033 0.0253 0.0640 -0.0030 849 GLN A N \n1175 C CA . GLN A 157 ? 0.4706 0.5402 0.5921 0.0207 0.0632 -0.0009 849 GLN A CA \n1176 C C . GLN A 157 ? 0.4699 0.5470 0.6032 0.0194 0.0572 -0.0004 849 GLN A C \n1177 O O . GLN A 157 ? 0.5003 0.5829 0.6406 0.0160 0.0563 0.0012 849 GLN A O \n1178 C CB . GLN A 157 ? 0.6706 0.7463 0.7977 0.0200 0.0707 0.0004 849 GLN A CB \n1179 C CG . GLN A 157 ? 0.7676 0.8513 0.9050 0.0242 0.0758 -0.0003 849 GLN A CG \n1180 C CD . GLN A 157 ? 0.7219 0.7984 0.8491 0.0288 0.0809 -0.0023 849 GLN A CD \n1181 O OE1 . GLN A 157 ? 0.7378 0.8149 0.8677 0.0335 0.0804 -0.0042 849 GLN A OE1 \n1182 N NE2 . GLN A 157 ? 0.7377 0.8063 0.8521 0.0274 0.0855 -0.0020 849 GLN A NE2 \n1183 N N . HIS A 158 ? 0.4787 0.5549 0.6128 0.0218 0.0529 -0.0018 850 HIS A N \n1184 C CA . HIS A 158 ? 0.3820 0.4638 0.5254 0.0208 0.0472 -0.0015 850 HIS A CA \n1185 C C . HIS A 158 ? 0.3816 0.4571 0.5181 0.0215 0.0417 -0.0029 850 HIS A C \n1186 O O . HIS A 158 ? 0.4160 0.4887 0.5502 0.0249 0.0414 -0.0043 850 HIS A O \n1187 C CB . HIS A 158 ? 0.5193 0.6100 0.6759 0.0233 0.0486 -0.0014 850 HIS A CB \n1188 C CG . HIS A 158 ? 0.6223 0.7185 0.7886 0.0217 0.0430 -0.0008 850 HIS A CG \n1189 N ND1 . HIS A 158 ? 0.7603 0.8659 0.9405 0.0217 0.0435 0.0003 850 HIS A ND1 \n1190 C CD2 . HIS A 158 ? 0.5044 0.5978 0.6681 0.0200 0.0368 -0.0011 850 HIS A CD2 \n1191 C CE1 . HIS A 158 ? 0.6793 0.7865 0.8640 0.0201 0.0374 0.0006 850 HIS A CE1 \n1192 N NE2 . HIS A 158 ? 0.5429 0.6428 0.7175 0.0191 0.0336 -0.0003 850 HIS A NE2 \n1193 N N . VAL A 159 ? 0.3189 0.3921 0.4522 0.0183 0.0373 -0.0026 851 VAL A N \n1194 C CA . VAL A 159 ? 0.2849 0.3532 0.4125 0.0183 0.0323 -0.0037 851 VAL A CA \n1195 C C . VAL A 159 ? 0.3025 0.3753 0.4369 0.0164 0.0276 -0.0034 851 VAL A C \n1196 O O . VAL A 159 ? 0.3993 0.4774 0.5408 0.0145 0.0274 -0.0024 851 VAL A O \n1197 C CB . VAL A 159 ? 0.2840 0.3445 0.4004 0.0166 0.0311 -0.0038 851 VAL A CB \n1198 C CG1 . VAL A 159 ? 0.3096 0.3638 0.4174 0.0184 0.0353 -0.0041 851 VAL A CG1 \n1199 C CG2 . VAL A 159 ? 0.3150 0.3771 0.4328 0.0132 0.0301 -0.0028 851 VAL A CG2 \n1200 N N . LYS A 160 ? 0.2576 0.3277 0.3893 0.0169 0.0238 -0.0043 852 LYS A N \n1201 C CA . LYS A 160 ? 0.3099 0.3830 0.4465 0.0153 0.0195 -0.0043 852 LYS A CA \n1202 C C . LYS A 160 ? 0.3318 0.4003 0.4614 0.0136 0.0160 -0.0050 852 LYS A C \n1203 O O . LYS A 160 ? 0.3538 0.4169 0.4761 0.0146 0.0157 -0.0056 852 LYS A O \n1204 C CB . LYS A 160 ? 0.3028 0.3780 0.4449 0.0178 0.0184 -0.0046 852 LYS A CB \n1205 C CG . LYS A 160 ? 0.3747 0.4558 0.5258 0.0199 0.0219 -0.0039 852 LYS A CG \n1206 C CD . LYS A 160 ? 0.4201 0.5032 0.5773 0.0226 0.0199 -0.0044 852 LYS A CD \n1207 C CE . LYS A 160 ? 0.4913 0.5779 0.6553 0.0205 0.0152 -0.0036 852 LYS A CE \n1208 N NZ . LYS A 160 ? 0.5999 0.6891 0.7716 0.0232 0.0131 -0.0037 852 LYS A NZ \n1209 N N . ILE A 161 ? 0.2815 0.3522 0.4134 0.0112 0.0132 -0.0049 853 ILE A N \n1210 C CA . ILE A 161 ? 0.3166 0.3845 0.4432 0.0093 0.0104 -0.0056 853 ILE A CA \n1211 C C . ILE A 161 ? 0.3359 0.4024 0.4618 0.0093 0.0075 -0.0060 853 ILE A C \n1212 O O . ILE A 161 ? 0.3347 0.4037 0.4659 0.0100 0.0064 -0.0057 853 ILE A O \n1213 C CB . ILE A 161 ? 0.2598 0.3303 0.3886 0.0068 0.0093 -0.0056 853 ILE A CB \n1214 C CG1 . ILE A 161 ? 0.2723 0.3431 0.4012 0.0066 0.0115 -0.0051 853 ILE A CG1 \n1215 C CG2 . ILE A 161 ? 0.3457 0.4144 0.4703 0.0050 0.0071 -0.0064 853 ILE A CG2 \n1216 C CD1 . ILE A 161 ? 0.3945 0.4682 0.5275 0.0049 0.0106 -0.0049 853 ILE A CD1 \n1217 N N . THR A 162 ? 0.2592 0.3215 0.3785 0.0085 0.0059 -0.0064 854 THR A N \n1218 C CA . THR A 162 ? 0.2861 0.3459 0.4029 0.0078 0.0029 -0.0067 854 THR A CA \n1219 C C . THR A 162 ? 0.2984 0.3569 0.4106 0.0046 0.0013 -0.0069 854 THR A C \n1220 O O . THR A 162 ? 0.3447 0.4046 0.4566 0.0035 0.0024 -0.0070 854 THR A O \n1221 C CB . THR A 162 ? 0.2564 0.3112 0.3691 0.0103 0.0025 -0.0068 854 THR A CB \n1222 O OG1 . THR A 162 ? 0.2685 0.3207 0.3796 0.0098 -0.0009 -0.0069 854 THR A OG1 \n1223 C CG2 . THR A 162 ? 0.3036 0.3532 0.4084 0.0099 0.0027 -0.0070 854 THR A CG2 \n1224 N N . ASP A 163 ? 0.2771 0.3330 0.3861 0.0031 -0.0013 -0.0070 855 ASP A N \n1225 C CA . ASP A 163 ? 0.3725 0.4269 0.4764 -0.0001 -0.0025 -0.0071 855 ASP A CA \n1226 C C . ASP A 163 ? 0.2956 0.3544 0.4023 -0.0023 -0.0017 -0.0076 855 ASP A C \n1227 O O . ASP A 163 ? 0.4732 0.5325 0.5774 -0.0047 -0.0016 -0.0078 855 ASP A O \n1228 C CB . ASP A 163 ? 0.3851 0.4371 0.4849 -0.0004 -0.0020 -0.0069 855 ASP A CB \n1229 C CG . ASP A 163 ? 0.5026 0.5505 0.5959 -0.0032 -0.0042 -0.0066 855 ASP A CG \n1230 O OD1 . ASP A 163 ? 0.4714 0.5158 0.5615 -0.0038 -0.0064 -0.0064 855 ASP A OD1 \n1231 O OD2 . ASP A 163 ? 0.4940 0.5419 0.5854 -0.0050 -0.0042 -0.0063 855 ASP A OD2 \n1232 N N . PHE A 164 ? 0.3455 0.4071 0.4571 -0.0013 -0.0013 -0.0077 856 PHE A N \n1233 C CA . PHE A 164 ? 0.2923 0.3570 0.4059 -0.0028 -0.0007 -0.0084 856 PHE A CA \n1234 C C . PHE A 164 ? 0.4270 0.4895 0.5366 -0.0052 -0.0024 -0.0087 856 PHE A C \n1235 O O . PHE A 164 ? 0.3875 0.4466 0.4953 -0.0052 -0.0047 -0.0082 856 PHE A O \n1236 C CB . PHE A 164 ? 0.3394 0.4067 0.4588 -0.0013 -0.0003 -0.0082 856 PHE A CB \n1237 C CG . PHE A 164 ? 0.4110 0.4775 0.5332 0.0000 -0.0018 -0.0074 856 PHE A CG \n1238 C CD1 . PHE A 164 ? 0.4347 0.5018 0.5598 0.0025 -0.0007 -0.0068 856 PHE A CD1 \n1239 C CD2 . PHE A 164 ? 0.3824 0.4474 0.5044 -0.0009 -0.0044 -0.0074 856 PHE A CD2 \n1240 C CE1 . PHE A 164 ? 0.3572 0.4246 0.4864 0.0041 -0.0019 -0.0062 856 PHE A CE1 \n1241 C CE2 . PHE A 164 ? 0.4610 0.5256 0.5868 0.0004 -0.0064 -0.0066 856 PHE A CE2 \n1242 C CZ . PHE A 164 ? 0.3281 0.3944 0.4581 0.0031 -0.0051 -0.0061 856 PHE A CZ \n1243 N N . GLY A 165 ? 0.3466 0.4107 0.4547 -0.0073 -0.0012 -0.0095 857 GLY A N \n1244 C CA . GLY A 165 ? 0.3407 0.4025 0.4441 -0.0098 -0.0020 -0.0099 857 GLY A CA \n1245 C C . GLY A 165 ? 0.3942 0.4527 0.4913 -0.0124 -0.0028 -0.0095 857 GLY A C \n1246 O O . GLY A 165 ? 0.4113 0.4668 0.5031 -0.0149 -0.0034 -0.0096 857 GLY A O \n1247 N N . LEU A 166 ? 0.4096 0.4675 0.5061 -0.0121 -0.0030 -0.0088 858 LEU A N \n1248 C CA . LEU A 166 ? 0.3812 0.4352 0.4713 -0.0148 -0.0043 -0.0081 858 LEU A CA \n1249 C C . LEU A 166 ? 0.4139 0.4714 0.5031 -0.0180 -0.0019 -0.0085 858 LEU A C \n1250 O O . LEU A 166 ? 0.4059 0.4608 0.4894 -0.0215 -0.0022 -0.0081 858 LEU A O \n1251 C CB . LEU A 166 ? 0.4737 0.5250 0.5629 -0.0133 -0.0056 -0.0072 858 LEU A CB \n1252 C CG . LEU A 166 ? 0.5130 0.5574 0.5949 -0.0149 -0.0085 -0.0063 858 LEU A CG \n1253 C CD1 . LEU A 166 ? 0.5555 0.5952 0.6346 -0.0145 -0.0113 -0.0061 858 LEU A CD1 \n1254 C CD2 . LEU A 166 ? 0.4102 0.4521 0.4917 -0.0124 -0.0094 -0.0058 858 LEU A CD2 \n1255 N N . ALA A 167 ? 0.3981 0.4613 0.4931 -0.0169 0.0003 -0.0091 859 ALA A N \n1256 C CA . ALA A 167 ? 0.4244 0.4923 0.5207 -0.0193 0.0027 -0.0097 859 ALA A CA \n1257 C C . ALA A 167 ? 0.4541 0.5224 0.5478 -0.0211 0.0045 -0.0107 859 ALA A C \n1258 O O . ALA A 167 ? 0.4212 0.4910 0.5125 -0.0244 0.0063 -0.0108 859 ALA A O \n1259 C CB . ALA A 167 ? 0.3835 0.4571 0.4870 -0.0172 0.0042 -0.0104 859 ALA A CB \n1260 N N . LYS A 168 ? 0.3944 0.4610 0.4883 -0.0191 0.0040 -0.0115 860 LYS A N \n1261 C CA . LYS A 168 ? 0.4631 0.5280 0.5527 -0.0207 0.0051 -0.0125 860 LYS A CA \n1262 C C . LYS A 168 ? 0.4276 0.4859 0.5084 -0.0240 0.0032 -0.0114 860 LYS A C \n1263 O O . LYS A 168 ? 0.5035 0.5608 0.5790 -0.0272 0.0051 -0.0118 860 LYS A O \n1264 C CB . LYS A 168 ? 0.5459 0.6094 0.6373 -0.0180 0.0041 -0.0132 860 LYS A CB \n1265 C CG . LYS A 168 ? 0.6211 0.6798 0.7055 -0.0198 0.0039 -0.0140 860 LYS A CG \n1266 C CD . LYS A 168 ? 0.6370 0.6961 0.7238 -0.0176 0.0042 -0.0153 860 LYS A CD \n1267 C CE . LYS A 168 ? 0.7906 0.8452 0.8695 -0.0195 0.0052 -0.0165 860 LYS A CE \n1268 N NZ . LYS A 168 ? 0.8792 0.9347 0.9600 -0.0173 0.0064 -0.0183 860 LYS A NZ \n1269 N N . LEU A 169 ? 0.4018 0.4553 0.4810 -0.0231 -0.0004 -0.0102 861 LEU A N \n1270 C CA . LEU A 169 ? 0.4997 0.5455 0.5702 -0.0258 -0.0033 -0.0092 861 LEU A CA \n1271 C C . LEU A 169 ? 0.5116 0.5569 0.5769 -0.0301 -0.0020 -0.0084 861 LEU A C \n1272 O O . LEU A 169 ? 0.5070 0.5471 0.5639 -0.0338 -0.0026 -0.0080 861 LEU A O \n1273 C CB . LEU A 169 ? 0.5362 0.5777 0.6073 -0.0234 -0.0075 -0.0081 861 LEU A CB \n1274 C CG . LEU A 169 ? 0.7381 0.7708 0.8009 -0.0253 -0.0117 -0.0070 861 LEU A CG \n1275 C CD1 . LEU A 169 ? 0.9177 0.9452 0.9743 -0.0274 -0.0130 -0.0073 861 LEU A CD1 \n1276 C CD2 . LEU A 169 ? 0.5587 0.5890 0.6249 -0.0215 -0.0151 -0.0064 861 LEU A CD2 \n1277 N N . LEU A 170 ? 0.5120 0.5625 0.5823 -0.0299 -0.0005 -0.0081 862 LEU A N \n1278 C CA . LEU A 170 ? 0.5600 0.6107 0.6268 -0.0341 0.0000 -0.0070 862 LEU A CA \n1279 C C . LEU A 170 ? 0.5690 0.6265 0.6378 -0.0368 0.0048 -0.0079 862 LEU A C \n1280 O O . LEU A 170 ? 0.5828 0.6420 0.6501 -0.0408 0.0059 -0.0069 862 LEU A O \n1281 C CB . LEU A 170 ? 0.5311 0.5827 0.6014 -0.0327 -0.0016 -0.0060 862 LEU A CB \n1282 C CG . LEU A 170 ? 0.5454 0.5893 0.6117 -0.0309 -0.0062 -0.0050 862 LEU A CG \n1283 C CD1 . LEU A 170 ? 0.5737 0.6185 0.6432 -0.0291 -0.0070 -0.0044 862 LEU A CD1 \n1284 C CD2 . LEU A 170 ? 0.5706 0.6061 0.6267 -0.0348 -0.0091 -0.0037 862 LEU A CD2 \n1285 N N . GLY A 171 ? 0.5806 0.6421 0.6532 -0.0347 0.0077 -0.0097 863 GLY A N \n1286 C CA . GLY A 171 ? 0.5244 0.5922 0.5990 -0.0365 0.0127 -0.0110 863 GLY A CA \n1287 C C . GLY A 171 ? 0.4499 0.5273 0.5347 -0.0354 0.0152 -0.0115 863 GLY A C \n1288 O O . GLY A 171 ? 0.5782 0.6617 0.6654 -0.0377 0.0192 -0.0121 863 GLY A O \n1289 N N . ALA A 172 ? 0.4607 0.5396 0.5517 -0.0318 0.0129 -0.0113 864 ALA A N \n1290 C CA . ALA A 172 ? 0.4768 0.5635 0.5771 -0.0306 0.0140 -0.0116 864 ALA A CA \n1291 C C . ALA A 172 ? 0.4245 0.5179 0.5314 -0.0280 0.0177 -0.0139 864 ALA A C \n1292 O O . ALA A 172 ? 0.4703 0.5705 0.5856 -0.0268 0.0185 -0.0144 864 ALA A O \n1293 C CB . ALA A 172 ? 0.4623 0.5470 0.5654 -0.0278 0.0105 -0.0106 864 ALA A CB \n1294 N N . GLU A 173 ? 0.4016 0.4925 0.5046 -0.0270 0.0192 -0.0154 865 GLU A N \n1295 C CA . GLU A 173 ? 0.4931 0.5890 0.6008 -0.0245 0.0228 -0.0180 865 GLU A CA \n1296 C C . GLU A 173 ? 0.5388 0.6389 0.6452 -0.0276 0.0278 -0.0190 865 GLU A C \n1297 O O . GLU A 173 ? 0.4377 0.5427 0.5481 -0.0255 0.0314 -0.0213 865 GLU A O \n1298 C CB . GLU A 173 ? 0.4546 0.5449 0.5583 -0.0217 0.0217 -0.0192 865 GLU A CB \n1299 C CG . GLU A 173 ? 0.6108 0.6977 0.7164 -0.0188 0.0175 -0.0182 865 GLU A CG \n1300 C CD . GLU A 173 ? 0.7760 0.8593 0.8803 -0.0160 0.0166 -0.0194 865 GLU A CD \n1301 O OE1 . GLU A 173 ? 0.6465 0.7296 0.7549 -0.0133 0.0143 -0.0191 865 GLU A OE1 \n1302 O OE2 . GLU A 173 ? 0.7467 0.8270 0.8454 -0.0168 0.0182 -0.0207 865 GLU A OE2 \n1303 N N . GLU A 174 ? 0.5312 0.6292 0.6318 -0.0324 0.0280 -0.0172 866 GLU A N \n1304 C CA . GLU A 174 ? 0.5210 0.6227 0.6192 -0.0363 0.0330 -0.0177 866 GLU A CA \n1305 C C . GLU A 174 ? 0.4482 0.5565 0.5523 -0.0398 0.0334 -0.0159 866 GLU A C \n1306 O O . GLU A 174 ? 0.4220 0.5289 0.5283 -0.0398 0.0290 -0.0140 866 GLU A O \n1307 C CB . GLU A 174 ? 0.5265 0.6187 0.6110 -0.0401 0.0329 -0.0170 866 GLU A CB \n1308 C CG . GLU A 174 ? 0.6357 0.7215 0.7136 -0.0376 0.0332 -0.0190 866 GLU A CG \n1309 C CD . GLU A 174 ? 0.8191 0.8985 0.8963 -0.0341 0.0276 -0.0184 866 GLU A CD \n1310 O OE1 . GLU A 174 ? 0.9575 1.0343 1.0336 -0.0310 0.0274 -0.0201 866 GLU A OE1 \n1311 O OE2 . GLU A 174 ? 0.8109 0.8879 0.8886 -0.0345 0.0233 -0.0163 866 GLU A OE2 \n1312 N N . LYS A 175 ? 0.3976 0.5130 0.5043 -0.0428 0.0387 -0.0165 867 LYS A N \n1313 C CA . LYS A 175 ? 0.5223 0.6461 0.6372 -0.0460 0.0394 -0.0148 867 LYS A CA \n1314 C C . LYS A 175 ? 0.4677 0.5855 0.5746 -0.0519 0.0363 -0.0116 867 LYS A C \n1315 O O . LYS A 175 ? 0.4393 0.5603 0.5516 -0.0540 0.0336 -0.0095 867 LYS A O \n1316 C CB . LYS A 175 ? 0.3908 0.5254 0.5125 -0.0473 0.0467 -0.0165 867 LYS A CB \n1317 C CG . LYS A 175 ? 0.4489 0.5804 0.5599 -0.0517 0.0519 -0.0169 867 LYS A CG \n1318 C CD . LYS A 175 ? 0.4183 0.5576 0.5339 -0.0494 0.0595 -0.0202 867 LYS A CD \n1319 C CE . LYS A 175 ? 0.4244 0.5564 0.5256 -0.0523 0.0640 -0.0212 867 LYS A CE \n1320 N NZ . LYS A 175 ? 0.4857 0.6032 0.5734 -0.0511 0.0591 -0.0210 867 LYS A NZ \n1321 N N . GLU A 176 ? 0.4400 0.5481 0.5337 -0.0545 0.0360 -0.0111 868 GLU A N \n1322 C CA . GLU A 176 ? 0.5289 0.6301 0.6131 -0.0605 0.0334 -0.0082 868 GLU A CA \n1323 C C . GLU A 176 ? 0.5488 0.6451 0.6333 -0.0598 0.0264 -0.0060 868 GLU A C \n1324 O O . GLU A 176 ? 0.4754 0.5723 0.5600 -0.0642 0.0246 -0.0036 868 GLU A O \n1325 C CB . GLU A 176 ? 0.6021 0.6923 0.6715 -0.0625 0.0335 -0.0084 868 GLU A CB \n1326 C CG . GLU A 176 ? 0.6207 0.7137 0.6858 -0.0658 0.0405 -0.0096 868 GLU A CG \n1327 C CD . GLU A 176 ? 0.6491 0.7473 0.7193 -0.0607 0.0453 -0.0132 868 GLU A CD \n1328 O OE1 . GLU A 176 ? 0.4811 0.5775 0.5545 -0.0549 0.0423 -0.0146 868 GLU A OE1 \n1329 O OE2 . GLU A 176 ? 0.5551 0.6590 0.6257 -0.0626 0.0522 -0.0146 868 GLU A OE2 \n1330 N N . TYR A 177 ? 0.5147 0.6061 0.5991 -0.0544 0.0228 -0.0069 869 TYR A N \n1331 C CA . TYR A 177 ? 0.5059 0.5931 0.5913 -0.0525 0.0169 -0.0054 869 TYR A CA \n1332 C C . TYR A 177 ? 0.5519 0.6465 0.6467 -0.0535 0.0162 -0.0042 869 TYR A C \n1333 O O . TYR A 177 ? 0.5002 0.5905 0.5919 -0.0560 0.0122 -0.0020 869 TYR A O \n1334 C CB . TYR A 177 ? 0.5505 0.6351 0.6380 -0.0460 0.0150 -0.0069 869 TYR A CB \n1335 C CG . TYR A 177 ? 0.4925 0.5731 0.5810 -0.0435 0.0100 -0.0058 869 TYR A CG \n1336 C CD1 . TYR A 177 ? 0.4194 0.5054 0.5170 -0.0402 0.0096 -0.0062 869 TYR A CD1 \n1337 C CD2 . TYR A 177 ? 0.5127 0.5835 0.5924 -0.0444 0.0057 -0.0042 869 TYR A CD2 \n1338 C CE1 . TYR A 177 ? 0.4150 0.4964 0.5121 -0.0380 0.0054 -0.0052 869 TYR A CE1 \n1339 C CE2 . TYR A 177 ? 0.4952 0.5620 0.5751 -0.0418 0.0017 -0.0034 869 TYR A CE2 \n1340 C CZ . TYR A 177 ? 0.4832 0.5552 0.5715 -0.0387 0.0018 -0.0039 869 TYR A CZ \n1341 O OH . TYR A 177 ? 0.4906 0.5578 0.5779 -0.0363 -0.0016 -0.0031 869 TYR A OH \n1342 N N . HIS A 178 ? 0.4673 0.5724 0.5732 -0.0515 0.0198 -0.0058 870 HIS A N \n1343 C CA . HIS A 178 ? 0.4297 0.5423 0.5461 -0.0519 0.0186 -0.0049 870 HIS A CA \n1344 C C . HIS A 178 ? 0.5297 0.6474 0.6476 -0.0586 0.0202 -0.0029 870 HIS A C \n1345 O O . HIS A 178 ? 0.4814 0.6004 0.6030 -0.0610 0.0168 -0.0008 870 HIS A O \n1346 C CB . HIS A 178 ? 0.4690 0.5906 0.5970 -0.0470 0.0213 -0.0074 870 HIS A CB \n1347 C CG . HIS A 178 ? 0.4917 0.6084 0.6187 -0.0410 0.0192 -0.0089 870 HIS A CG \n1348 N ND1 . HIS A 178 ? 0.5360 0.6488 0.6577 -0.0384 0.0211 -0.0107 870 HIS A ND1 \n1349 C CD2 . HIS A 178 ? 0.4446 0.5593 0.5748 -0.0374 0.0152 -0.0087 870 HIS A CD2 \n1350 C CE1 . HIS A 178 ? 0.4307 0.5401 0.5533 -0.0337 0.0184 -0.0114 870 HIS A CE1 \n1351 N NE2 . HIS A 178 ? 0.6096 0.7200 0.7370 -0.0330 0.0151 -0.0103 870 HIS A NE2 \n1352 N N . ALA A 179 ? 0.5363 0.6565 0.6510 -0.0618 0.0254 -0.0035 871 ALA A N \n1353 C CA . ALA A 179 ? 0.5903 0.7151 0.7053 -0.0690 0.0277 -0.0014 871 ALA A CA \n1354 C C . ALA A 179 ? 0.6575 0.7714 0.7610 -0.0740 0.0225 0.0016 871 ALA A C \n1355 O O . ALA A 179 ? 0.5472 0.6637 0.6523 -0.0797 0.0215 0.0042 871 ALA A O \n1356 C CB . ALA A 179 ? 0.5564 0.6851 0.6688 -0.0712 0.0351 -0.0030 871 ALA A CB \n1357 N N . GLU A 180 ? 0.5940 0.6957 0.6862 -0.0718 0.0189 0.0015 872 GLU A N \n1358 C CA . GLU A 180 ? 0.6530 0.7428 0.7330 -0.0756 0.0136 0.0041 872 GLU A CA \n1359 C C . GLU A 180 ? 0.6943 0.7789 0.7750 -0.0733 0.0070 0.0054 872 GLU A C \n1360 O O . GLU A 180 ? 0.7354 0.8086 0.8057 -0.0743 0.0021 0.0068 872 GLU A O \n1361 C CB . GLU A 180 ? 0.8126 0.8916 0.8800 -0.0745 0.0130 0.0032 872 GLU A CB \n1362 C CG . GLU A 180 ? 0.9310 1.0104 0.9920 -0.0792 0.0181 0.0030 872 GLU A CG \n1363 C CD . GLU A 180 ? 1.1978 1.2687 1.2495 -0.0764 0.0181 0.0013 872 GLU A CD \n1364 O OE1 . GLU A 180 ? 1.2640 1.3250 1.3096 -0.0736 0.0125 0.0016 872 GLU A OE1 \n1365 O OE2 . GLU A 180 ? 1.1870 1.2609 1.2374 -0.0770 0.0236 -0.0003 872 GLU A OE2 \n1366 N N . GLY A 181 ? 0.6818 0.7741 0.7741 -0.0701 0.0068 0.0047 873 GLY A N \n1367 C CA . GLY A 181 ? 0.6288 0.7164 0.7216 -0.0683 0.0009 0.0060 873 GLY A CA \n1368 C C . GLY A 181 ? 0.5118 0.5940 0.6035 -0.0611 -0.0012 0.0042 873 GLY A C \n1369 O O . GLY A 181 ? 0.5353 0.6130 0.6267 -0.0591 -0.0055 0.0050 873 GLY A O \n1370 N N . GLY A 182 ? 0.4618 0.5441 0.5526 -0.0574 0.0018 0.0020 874 GLY A N \n1371 C CA . GLY A 182 ? 0.5354 0.6132 0.6255 -0.0509 0.0002 0.0005 874 GLY A CA \n1372 C C . GLY A 182 ? 0.5326 0.6163 0.6326 -0.0470 0.0001 -0.0003 874 GLY A C \n1373 O O . GLY A 182 ? 0.4218 0.5153 0.5312 -0.0477 0.0028 -0.0009 874 GLY A O \n1374 N N . LYS A 183 ? 0.4603 0.5380 0.5582 -0.0429 -0.0030 -0.0005 875 LYS A N \n1375 C CA . LYS A 183 ? 0.5038 0.5852 0.6093 -0.0393 -0.0037 -0.0012 875 LYS A CA \n1376 C C . LYS A 183 ? 0.5168 0.5968 0.6228 -0.0338 -0.0025 -0.0031 875 LYS A C \n1377 O O . LYS A 183 ? 0.4771 0.5517 0.5770 -0.0324 -0.0023 -0.0035 875 LYS A O \n1378 C CB . LYS A 183 ? 0.6708 0.7458 0.7730 -0.0398 -0.0086 0.0005 875 LYS A CB \n1379 C CG . LYS A 183 ? 0.7606 0.8365 0.8626 -0.0457 -0.0107 0.0028 875 LYS A CG \n1380 C CD . LYS A 183 ? 0.7992 0.8849 0.9128 -0.0468 -0.0105 0.0030 875 LYS A CD \n1381 C CE . LYS A 183 ? 0.8655 0.9518 0.9792 -0.0530 -0.0133 0.0056 875 LYS A CE \n1382 N NZ . LYS A 183 ? 0.8241 0.9172 0.9483 -0.0537 -0.0153 0.0063 875 LYS A NZ \n1383 N N . VAL A 184 ? 0.4556 0.5405 0.5692 -0.0308 -0.0019 -0.0041 876 VAL A N \n1384 C CA . VAL A 184 ? 0.4440 0.5281 0.5589 -0.0259 -0.0009 -0.0057 876 VAL A CA \n1385 C C . VAL A 184 ? 0.3896 0.4716 0.5065 -0.0234 -0.0035 -0.0053 876 VAL A C \n1386 O O . VAL A 184 ? 0.4569 0.5402 0.5764 -0.0253 -0.0058 -0.0043 876 VAL A O \n1387 C CB . VAL A 184 ? 0.3765 0.4680 0.4978 -0.0245 0.0028 -0.0077 876 VAL A CB \n1388 C CG1 . VAL A 184 ? 0.4138 0.5039 0.5300 -0.0259 0.0051 -0.0083 876 VAL A CG1 \n1389 C CG2 . VAL A 184 ? 0.4331 0.5334 0.5629 -0.0264 0.0042 -0.0080 876 VAL A CG2 \n1390 N N . PRO A 185 ? 0.3997 0.4778 0.5147 -0.0196 -0.0035 -0.0060 877 PRO A N \n1391 C CA . PRO A 185 ? 0.3479 0.4220 0.4622 -0.0175 -0.0059 -0.0056 877 PRO A CA \n1392 C C . PRO A 185 ? 0.3583 0.4380 0.4807 -0.0162 -0.0060 -0.0064 877 PRO A C \n1393 O O . PRO A 185 ? 0.3013 0.3809 0.4253 -0.0132 -0.0051 -0.0074 877 PRO A O \n1394 C CB . PRO A 185 ? 0.3924 0.4613 0.5022 -0.0142 -0.0049 -0.0060 877 PRO A CB \n1395 C CG . PRO A 185 ? 0.3646 0.4377 0.4770 -0.0138 -0.0021 -0.0072 877 PRO A CG \n1396 C CD . PRO A 185 ? 0.4643 0.5410 0.5772 -0.0174 -0.0015 -0.0070 877 PRO A CD \n1397 N N . ILE A 186 ? 0.2826 0.3670 0.4102 -0.0186 -0.0073 -0.0059 878 ILE A N \n1398 C CA . ILE A 186 ? 0.3351 0.4260 0.4719 -0.0173 -0.0074 -0.0070 878 ILE A CA \n1399 C C . ILE A 186 ? 0.2910 0.3776 0.4274 -0.0141 -0.0096 -0.0072 878 ILE A C \n1400 O O . ILE A 186 ? 0.2894 0.3799 0.4316 -0.0117 -0.0089 -0.0086 878 ILE A O \n1401 C CB . ILE A 186 ? 0.3264 0.4229 0.4697 -0.0205 -0.0093 -0.0060 878 ILE A CB \n1402 C CG1 . ILE A 186 ? 0.3768 0.4798 0.5224 -0.0237 -0.0060 -0.0061 878 ILE A CG1 \n1403 C CG2 . ILE A 186 ? 0.3291 0.4311 0.4820 -0.0184 -0.0106 -0.0070 878 ILE A CG2 \n1404 C CD1 . ILE A 186 ? 0.4177 0.5295 0.5707 -0.0222 -0.0015 -0.0084 878 ILE A CD1 \n1405 N N . LYS A 187 ? 0.3059 0.3839 0.4348 -0.0142 -0.0125 -0.0058 879 LYS A N \n1406 C CA . LYS A 187 ? 0.2655 0.3382 0.3926 -0.0119 -0.0149 -0.0057 879 LYS A CA \n1407 C C . LYS A 187 ? 0.2496 0.3199 0.3741 -0.0089 -0.0122 -0.0067 879 LYS A C \n1408 O O . LYS A 187 ? 0.3014 0.3677 0.4244 -0.0071 -0.0136 -0.0067 879 LYS A O \n1409 C CB . LYS A 187 ? 0.3044 0.3677 0.4233 -0.0132 -0.0187 -0.0039 879 LYS A CB \n1410 C CG . LYS A 187 ? 0.4207 0.4863 0.5439 -0.0162 -0.0228 -0.0027 879 LYS A CG \n1411 C CD . LYS A 187 ? 0.4529 0.5080 0.5661 -0.0180 -0.0266 -0.0008 879 LYS A CD \n1412 C CE . LYS A 187 ? 0.3576 0.4147 0.4755 -0.0214 -0.0314 0.0006 879 LYS A CE \n1413 N NZ . LYS A 187 ? 0.3886 0.4340 0.4956 -0.0232 -0.0359 0.0025 879 LYS A NZ \n1414 N N . TRP A 188 ? 0.2492 0.3218 0.3731 -0.0086 -0.0088 -0.0074 880 TRP A N \n1415 C CA . TRP A 188 ? 0.3357 0.4076 0.4588 -0.0061 -0.0063 -0.0082 880 TRP A CA \n1416 C C . TRP A 188 ? 0.3177 0.3968 0.4477 -0.0053 -0.0042 -0.0099 880 TRP A C \n1417 O O . TRP A 188 ? 0.3613 0.4399 0.4913 -0.0035 -0.0028 -0.0107 880 TRP A O \n1418 C CB . TRP A 188 ? 0.2820 0.3500 0.3989 -0.0061 -0.0046 -0.0077 880 TRP A CB \n1419 C CG . TRP A 188 ? 0.3075 0.3672 0.4168 -0.0054 -0.0058 -0.0066 880 TRP A CG \n1420 C CD1 . TRP A 188 ? 0.3092 0.3646 0.4150 -0.0034 -0.0046 -0.0064 880 TRP A CD1 \n1421 C CD2 . TRP A 188 ? 0.3521 0.4065 0.4560 -0.0070 -0.0084 -0.0054 880 TRP A CD2 \n1422 N NE1 . TRP A 188 ? 0.3136 0.3612 0.4117 -0.0033 -0.0058 -0.0054 880 TRP A NE1 \n1423 C CE2 . TRP A 188 ? 0.3401 0.3865 0.4365 -0.0054 -0.0084 -0.0048 880 TRP A CE2 \n1424 C CE3 . TRP A 188 ? 0.3467 0.4023 0.4511 -0.0098 -0.0106 -0.0047 880 TRP A CE3 \n1425 C CZ2 . TRP A 188 ? 0.3533 0.3916 0.4417 -0.0062 -0.0108 -0.0038 880 TRP A CZ2 \n1426 C CZ3 . TRP A 188 ? 0.3428 0.3906 0.4398 -0.0110 -0.0136 -0.0034 880 TRP A CZ3 \n1427 C CH2 . TRP A 188 ? 0.2822 0.3212 0.3710 -0.0090 -0.0138 -0.0031 880 TRP A CH2 \n1428 N N . MET A 189 ? 0.2739 0.3593 0.4094 -0.0067 -0.0040 -0.0106 881 MET A N \n1429 C CA . MET A 189 ? 0.2628 0.3543 0.4031 -0.0060 -0.0012 -0.0124 881 MET A CA \n1430 C C . MET A 189 ? 0.2804 0.3752 0.4271 -0.0037 -0.0017 -0.0139 881 MET A C \n1431 O O . MET A 189 ? 0.2816 0.3772 0.4321 -0.0034 -0.0044 -0.0136 881 MET A O \n1432 C CB . MET A 189 ? 0.2925 0.3892 0.4348 -0.0088 0.0004 -0.0125 881 MET A CB \n1433 C CG . MET A 189 ? 0.3302 0.4235 0.4656 -0.0109 0.0014 -0.0114 881 MET A CG \n1434 S SD . MET A 189 ? 0.3900 0.4880 0.5268 -0.0152 0.0023 -0.0108 881 MET A SD \n1435 C CE . MET A 189 ? 0.3248 0.4309 0.4676 -0.0146 0.0065 -0.0132 881 MET A CE \n1436 N N . ALA A 190 ? 0.2680 0.3642 0.4158 -0.0019 0.0002 -0.0155 882 ALA A N \n1437 C CA . ALA A 190 ? 0.2123 0.3113 0.3659 0.0007 -0.0003 -0.0173 882 ALA A CA \n1438 C C . ALA A 190 ? 0.2428 0.3498 0.4041 0.0002 0.0007 -0.0185 882 ALA A C \n1439 O O . ALA A 190 ? 0.2364 0.3471 0.3976 -0.0020 0.0031 -0.0183 882 ALA A O \n1440 C CB . ALA A 190 ? 0.1870 0.2851 0.3392 0.0024 0.0016 -0.0188 882 ALA A CB \n1441 N N . LEU A 191 ? 0.2775 0.3873 0.4455 0.0025 -0.0010 -0.0197 883 LEU A N \n1442 C CA . LEU A 191 ? 0.2827 0.4014 0.4599 0.0024 0.0000 -0.0209 883 LEU A CA \n1443 C C . LEU A 191 ? 0.3034 0.4277 0.4818 0.0023 0.0053 -0.0228 883 LEU A C \n1444 O O . LEU A 191 ? 0.2609 0.3916 0.4430 0.0000 0.0077 -0.0227 883 LEU A O \n1445 C CB . LEU A 191 ? 0.2667 0.3873 0.4516 0.0057 -0.0030 -0.0222 883 LEU A CB \n1446 C CG . LEU A 191 ? 0.2574 0.3879 0.4540 0.0058 -0.0027 -0.0231 883 LEU A CG \n1447 C CD1 . LEU A 191 ? 0.3202 0.4530 0.5173 0.0014 -0.0034 -0.0207 883 LEU A CD1 \n1448 C CD2 . LEU A 191 ? 0.2599 0.3904 0.4634 0.0091 -0.0073 -0.0240 883 LEU A CD2 \n1449 N N . GLU A 192 ? 0.1794 0.3005 0.3538 0.0044 0.0070 -0.0244 884 GLU A N \n1450 C CA . GLU A 192 ? 0.1909 0.3153 0.3643 0.0043 0.0118 -0.0263 884 GLU A CA \n1451 C C . GLU A 192 ? 0.2346 0.3580 0.4015 0.0001 0.0141 -0.0247 884 GLU A C \n1452 O O . GLU A 192 ? 0.2105 0.3377 0.3770 -0.0012 0.0181 -0.0258 884 GLU A O \n1453 C CB . GLU A 192 ? 0.2434 0.3636 0.4134 0.0075 0.0123 -0.0283 884 GLU A CB \n1454 C CG . GLU A 192 ? 0.2629 0.3745 0.4240 0.0066 0.0106 -0.0268 884 GLU A CG \n1455 C CD . GLU A 192 ? 0.2790 0.3854 0.4393 0.0076 0.0063 -0.0252 884 GLU A CD \n1456 O OE1 . GLU A 192 ? 0.2264 0.3342 0.3916 0.0085 0.0037 -0.0249 884 GLU A OE1 \n1457 O OE2 . GLU A 192 ? 0.2177 0.3181 0.3721 0.0071 0.0053 -0.0241 884 GLU A OE2 \n1458 N N . SER A 193 ? 0.2973 0.4149 0.4585 -0.0017 0.0115 -0.0222 885 SER A N \n1459 C CA . SER A 193 ? 0.2356 0.3513 0.3905 -0.0054 0.0127 -0.0206 885 SER A CA \n1460 C C . SER A 193 ? 0.2550 0.3762 0.4139 -0.0086 0.0131 -0.0195 885 SER A C \n1461 O O . SER A 193 ? 0.2761 0.3991 0.4325 -0.0117 0.0158 -0.0192 885 SER A O \n1462 C CB . SER A 193 ? 0.2489 0.3569 0.3974 -0.0059 0.0098 -0.0185 885 SER A CB \n1463 O OG . SER A 193 ? 0.2896 0.3934 0.4354 -0.0034 0.0093 -0.0192 885 SER A OG \n1464 N N . ILE A 194 ? 0.2248 0.3478 0.3894 -0.0081 0.0101 -0.0187 886 ILE A N \n1465 C CA . ILE A 194 ? 0.2811 0.4095 0.4510 -0.0111 0.0095 -0.0174 886 ILE A CA \n1466 C C . ILE A 194 ? 0.2770 0.4151 0.4545 -0.0114 0.0138 -0.0193 886 ILE A C \n1467 O O . ILE A 194 ? 0.3094 0.4513 0.4867 -0.0153 0.0163 -0.0184 886 ILE A O \n1468 C CB . ILE A 194 ? 0.3578 0.4856 0.5325 -0.0101 0.0046 -0.0164 886 ILE A CB \n1469 C CG1 . ILE A 194 ? 0.3072 0.4248 0.4729 -0.0103 0.0011 -0.0145 886 ILE A CG1 \n1470 C CG2 . ILE A 194 ? 0.3112 0.4454 0.4928 -0.0134 0.0036 -0.0151 886 ILE A CG2 \n1471 C CD1 . ILE A 194 ? 0.2950 0.4095 0.4629 -0.0089 -0.0037 -0.0136 886 ILE A CD1 \n1472 N N . LEU A 195 ? 0.2906 0.4324 0.4742 -0.0073 0.0151 -0.0219 887 LEU A N \n1473 C CA . LEU A 195 ? 0.3182 0.4701 0.5106 -0.0067 0.0194 -0.0241 887 LEU A CA \n1474 C C . LEU A 195 ? 0.3433 0.4957 0.5302 -0.0074 0.0253 -0.0257 887 LEU A C \n1475 O O . LEU A 195 ? 0.2164 0.3764 0.4078 -0.0093 0.0296 -0.0264 887 LEU A O \n1476 C CB . LEU A 195 ? 0.2674 0.4231 0.4692 -0.0015 0.0182 -0.0264 887 LEU A CB \n1477 C CG . LEU A 195 ? 0.3812 0.5361 0.5887 -0.0007 0.0120 -0.0249 887 LEU A CG \n1478 C CD1 . LEU A 195 ? 0.3693 0.5250 0.5834 0.0046 0.0099 -0.0273 887 LEU A CD1 \n1479 C CD2 . LEU A 195 ? 0.3279 0.4907 0.5440 -0.0042 0.0111 -0.0232 887 LEU A CD2 \n1480 N N . HIS A 196 ? 0.2235 0.3676 0.4005 -0.0064 0.0253 -0.0262 888 HIS A N \n1481 C CA . HIS A 196 ? 0.2116 0.3547 0.3828 -0.0065 0.0302 -0.0281 888 HIS A CA \n1482 C C . HIS A 196 ? 0.2601 0.3939 0.4187 -0.0088 0.0296 -0.0268 888 HIS A C \n1483 O O . HIS A 196 ? 0.2582 0.3890 0.4104 -0.0086 0.0325 -0.0283 888 HIS A O \n1484 C CB . HIS A 196 ? 0.2642 0.4072 0.4376 -0.0011 0.0313 -0.0314 888 HIS A CB \n1485 C CG . HIS A 196 ? 0.2815 0.4343 0.4675 0.0016 0.0330 -0.0335 888 HIS A CG \n1486 N ND1 . HIS A 196 ? 0.3202 0.4817 0.5112 0.0006 0.0388 -0.0350 888 HIS A ND1 \n1487 C CD2 . HIS A 196 ? 0.2806 0.4359 0.4755 0.0053 0.0295 -0.0342 888 HIS A CD2 \n1488 C CE1 . HIS A 196 ? 0.3149 0.4847 0.5185 0.0040 0.0389 -0.0366 888 HIS A CE1 \n1489 N NE2 . HIS A 196 ? 0.3203 0.4861 0.5262 0.0069 0.0329 -0.0362 888 HIS A NE2 \n1490 N N . ARG A 197 ? 0.2220 0.3511 0.3772 -0.0107 0.0255 -0.0240 889 ARG A N \n1491 C CA . ARG A 197 ? 0.3218 0.4424 0.4663 -0.0128 0.0242 -0.0225 889 ARG A CA \n1492 C C . ARG A 197 ? 0.2542 0.3690 0.3942 -0.0097 0.0237 -0.0239 889 ARG A C \n1493 O O . ARG A 197 ? 0.2898 0.3990 0.4216 -0.0111 0.0242 -0.0238 889 ARG A O \n1494 C CB . ARG A 197 ? 0.3107 0.4315 0.4495 -0.0173 0.0274 -0.0220 889 ARG A CB \n1495 C CG . ARG A 197 ? 0.3310 0.4577 0.4744 -0.0210 0.0279 -0.0203 889 ARG A CG \n1496 C CD . ARG A 197 ? 0.4083 0.5334 0.5441 -0.0261 0.0306 -0.0194 889 ARG A CD \n1497 N NE . ARG A 197 ? 0.3870 0.5168 0.5263 -0.0304 0.0304 -0.0173 889 ARG A NE \n1498 C CZ . ARG A 197 ? 0.5005 0.6383 0.6441 -0.0335 0.0349 -0.0176 889 ARG A CZ \n1499 N NH1 . ARG A 197 ? 0.3863 0.5280 0.5305 -0.0324 0.0405 -0.0201 889 ARG A NH1 \n1500 N NH2 . ARG A 197 ? 0.4104 0.5519 0.5573 -0.0378 0.0339 -0.0152 889 ARG A NH2 \n1501 N N . ILE A 198 ? 0.2439 0.3596 0.3892 -0.0058 0.0222 -0.0252 890 ILE A N \n1502 C CA . ILE A 198 ? 0.2918 0.4016 0.4333 -0.0030 0.0209 -0.0262 890 ILE A CA \n1503 C C . ILE A 198 ? 0.2535 0.3579 0.3926 -0.0031 0.0168 -0.0239 890 ILE A C \n1504 O O . ILE A 198 ? 0.2518 0.3573 0.3951 -0.0024 0.0145 -0.0228 890 ILE A O \n1505 C CB . ILE A 198 ? 0.2880 0.4004 0.4356 0.0012 0.0209 -0.0286 890 ILE A CB \n1506 C CG1 . ILE A 198 ? 0.3485 0.4661 0.4983 0.0021 0.0256 -0.0314 890 ILE A CG1 \n1507 C CG2 . ILE A 198 ? 0.2516 0.3569 0.3949 0.0035 0.0185 -0.0291 890 ILE A CG2 \n1508 C CD1 . ILE A 198 ? 0.2529 0.3755 0.4117 0.0063 0.0257 -0.0338 890 ILE A CD1 \n1509 N N . TYR A 199 ? 0.2700 0.3684 0.4023 -0.0039 0.0159 -0.0232 891 TYR A N \n1510 C CA . TYR A 199 ? 0.3025 0.3962 0.4329 -0.0037 0.0127 -0.0212 891 TYR A CA \n1511 C C . TYR A 199 ? 0.2632 0.3523 0.3910 -0.0022 0.0116 -0.0217 891 TYR A C \n1512 O O . TYR A 199 ? 0.3002 0.3866 0.4231 -0.0030 0.0124 -0.0225 891 TYR A O \n1513 C CB . TYR A 199 ? 0.3225 0.4135 0.4479 -0.0066 0.0122 -0.0193 891 TYR A CB \n1514 C CG . TYR A 199 ? 0.3393 0.4329 0.4660 -0.0087 0.0122 -0.0181 891 TYR A CG \n1515 C CD1 . TYR A 199 ? 0.3133 0.4057 0.4414 -0.0082 0.0099 -0.0165 891 TYR A CD1 \n1516 C CD2 . TYR A 199 ? 0.3412 0.4380 0.4671 -0.0114 0.0146 -0.0185 891 TYR A CD2 \n1517 C CE1 . TYR A 199 ? 0.4019 0.4955 0.5302 -0.0103 0.0093 -0.0153 891 TYR A CE1 \n1518 C CE2 . TYR A 199 ? 0.3614 0.4602 0.4883 -0.0138 0.0142 -0.0170 891 TYR A CE2 \n1519 C CZ . TYR A 199 ? 0.3740 0.4710 0.5020 -0.0132 0.0112 -0.0154 891 TYR A CZ \n1520 O OH . TYR A 199 ? 0.4616 0.5594 0.5897 -0.0157 0.0102 -0.0139 891 TYR A OH \n1521 N N . THR A 200 ? 0.2709 0.3588 0.4014 -0.0002 0.0095 -0.0213 892 THR A N \n1522 C CA . THR A 200 ? 0.2838 0.3673 0.4125 0.0008 0.0078 -0.0214 892 THR A CA \n1523 C C . THR A 200 ? 0.2458 0.3276 0.3758 0.0009 0.0057 -0.0193 892 THR A C \n1524 O O . THR A 200 ? 0.2389 0.3221 0.3704 0.0005 0.0056 -0.0181 892 THR A O \n1525 C CB . THR A 200 ? 0.2441 0.3279 0.3752 0.0035 0.0077 -0.0235 892 THR A CB \n1526 O OG1 . THR A 200 ? 0.2600 0.3458 0.3958 0.0048 0.0064 -0.0230 892 THR A OG1 \n1527 C CG2 . THR A 200 ? 0.3017 0.3885 0.4328 0.0041 0.0107 -0.0261 892 THR A CG2 \n1528 N N . HIS A 201 ? 0.2657 0.3440 0.3949 0.0014 0.0040 -0.0187 893 HIS A N \n1529 C CA . HIS A 201 ? 0.3067 0.3839 0.4376 0.0015 0.0026 -0.0168 893 HIS A CA \n1530 C C . HIS A 201 ? 0.2350 0.3129 0.3684 0.0028 0.0022 -0.0169 893 HIS A C \n1531 O O . HIS A 201 ? 0.2163 0.2936 0.3500 0.0026 0.0019 -0.0153 893 HIS A O \n1532 C CB . HIS A 201 ? 0.2608 0.3348 0.3910 0.0011 0.0009 -0.0159 893 HIS A CB \n1533 C CG . HIS A 201 ? 0.2817 0.3544 0.4095 -0.0002 0.0006 -0.0155 893 HIS A CG \n1534 N ND1 . HIS A 201 ? 0.2949 0.3683 0.4230 -0.0011 0.0007 -0.0140 893 HIS A ND1 \n1535 C CD2 . HIS A 201 ? 0.3002 0.3703 0.4247 -0.0008 0.0000 -0.0166 893 HIS A CD2 \n1536 C CE1 . HIS A 201 ? 0.2813 0.3526 0.4066 -0.0023 -0.0001 -0.0140 893 HIS A CE1 \n1537 N NE2 . HIS A 201 ? 0.3474 0.4165 0.4702 -0.0023 -0.0007 -0.0154 893 HIS A NE2 \n1538 N N . GLN A 202 ? 0.2662 0.3453 0.4011 0.0043 0.0022 -0.0189 894 GLN A N \n1539 C CA . GLN A 202 ? 0.3008 0.3805 0.4384 0.0057 0.0011 -0.0192 894 GLN A CA \n1540 C C . GLN A 202 ? 0.2660 0.3491 0.4055 0.0052 0.0018 -0.0189 894 GLN A C \n1541 O O . GLN A 202 ? 0.2166 0.2987 0.3572 0.0056 0.0002 -0.0182 894 GLN A O \n1542 C CB . GLN A 202 ? 0.2712 0.3506 0.4104 0.0080 0.0003 -0.0216 894 GLN A CB \n1543 C CG . GLN A 202 ? 0.2451 0.3195 0.3817 0.0084 -0.0013 -0.0216 894 GLN A CG \n1544 C CD . GLN A 202 ? 0.3119 0.3828 0.4476 0.0074 -0.0032 -0.0192 894 GLN A CD \n1545 O OE1 . GLN A 202 ? 0.2739 0.3437 0.4081 0.0056 -0.0030 -0.0173 894 GLN A OE1 \n1546 N NE2 . GLN A 202 ? 0.2825 0.3516 0.4191 0.0085 -0.0052 -0.0192 894 GLN A NE2 \n1547 N N . SER A 203 ? 0.2305 0.3167 0.3698 0.0039 0.0037 -0.0193 895 SER A N \n1548 C CA . SER A 203 ? 0.2693 0.3576 0.4093 0.0026 0.0039 -0.0183 895 SER A CA \n1549 C C . SER A 203 ? 0.2776 0.3623 0.4141 0.0014 0.0032 -0.0160 895 SER A C \n1550 O O . SER A 203 ? 0.2485 0.3325 0.3848 0.0011 0.0022 -0.0150 895 SER A O \n1551 C CB . SER A 203 ? 0.3224 0.4150 0.4630 0.0011 0.0061 -0.0191 895 SER A CB \n1552 O OG . SER A 203 ? 0.2522 0.3429 0.3883 -0.0004 0.0073 -0.0187 895 SER A OG \n1553 N N . ASP A 204 ? 0.2664 0.3487 0.4003 0.0011 0.0036 -0.0152 896 ASP A N \n1554 C CA . ASP A 204 ? 0.2404 0.3196 0.3717 0.0007 0.0033 -0.0133 896 ASP A CA \n1555 C C . ASP A 204 ? 0.1875 0.2642 0.3189 0.0016 0.0023 -0.0125 896 ASP A C \n1556 O O . ASP A 204 ? 0.2167 0.2909 0.3457 0.0014 0.0022 -0.0113 896 ASP A O \n1557 C CB . ASP A 204 ? 0.2905 0.3686 0.4209 0.0004 0.0037 -0.0127 896 ASP A CB \n1558 C CG . ASP A 204 ? 0.3267 0.4052 0.4550 -0.0008 0.0042 -0.0128 896 ASP A CG \n1559 O OD1 . ASP A 204 ? 0.2851 0.3625 0.4128 -0.0011 0.0038 -0.0125 896 ASP A OD1 \n1560 O OD2 . ASP A 204 ? 0.2647 0.3443 0.3917 -0.0019 0.0046 -0.0130 896 ASP A OD2 \n1561 N N . VAL A 205 ? 0.1864 0.2627 0.3196 0.0026 0.0014 -0.0133 897 VAL A N \n1562 C CA . VAL A 205 ? 0.1757 0.2486 0.3080 0.0032 0.0000 -0.0126 897 VAL A CA \n1563 C C . VAL A 205 ? 0.2591 0.3309 0.3907 0.0033 -0.0012 -0.0124 897 VAL A C \n1564 O O . VAL A 205 ? 0.2232 0.2909 0.3514 0.0030 -0.0018 -0.0110 897 VAL A O \n1565 C CB . VAL A 205 ? 0.1789 0.2506 0.3127 0.0042 -0.0015 -0.0136 897 VAL A CB \n1566 C CG1 . VAL A 205 ? 0.1852 0.2526 0.3174 0.0046 -0.0035 -0.0129 897 VAL A CG1 \n1567 C CG2 . VAL A 205 ? 0.2414 0.3121 0.3747 0.0035 -0.0009 -0.0130 897 VAL A CG2 \n1568 N N . TRP A 206 ? 0.1984 0.2739 0.3332 0.0035 -0.0017 -0.0137 898 TRP A N \n1569 C CA . TRP A 206 ? 0.2443 0.3194 0.3794 0.0032 -0.0035 -0.0133 898 TRP A CA \n1570 C C . TRP A 206 ? 0.2272 0.2994 0.3576 0.0018 -0.0030 -0.0116 898 TRP A C \n1571 O O . TRP A 206 ? 0.2115 0.2788 0.3382 0.0016 -0.0047 -0.0105 898 TRP A O \n1572 C CB . TRP A 206 ? 0.2139 0.2952 0.3546 0.0033 -0.0034 -0.0149 898 TRP A CB \n1573 C CG . TRP A 206 ? 0.1837 0.2658 0.3263 0.0026 -0.0056 -0.0144 898 TRP A CG \n1574 C CD1 . TRP A 206 ? 0.2347 0.3144 0.3738 0.0008 -0.0064 -0.0128 898 TRP A CD1 \n1575 C CD2 . TRP A 206 ? 0.2264 0.3119 0.3755 0.0038 -0.0078 -0.0156 898 TRP A CD2 \n1576 N NE1 . TRP A 206 ? 0.2215 0.3027 0.3644 0.0004 -0.0093 -0.0127 898 TRP A NE1 \n1577 C CE2 . TRP A 206 ? 0.2218 0.3071 0.3715 0.0023 -0.0101 -0.0144 898 TRP A CE2 \n1578 C CE3 . TRP A 206 ? 0.2560 0.3445 0.4105 0.0062 -0.0082 -0.0176 898 TRP A CE3 \n1579 C CZ2 . TRP A 206 ? 0.2724 0.3612 0.4291 0.0030 -0.0130 -0.0150 898 TRP A CZ2 \n1580 C CZ3 . TRP A 206 ? 0.2655 0.3578 0.4272 0.0073 -0.0107 -0.0185 898 TRP A CZ3 \n1581 C CH2 . TRP A 206 ? 0.2477 0.3402 0.4107 0.0056 -0.0131 -0.0171 898 TRP A CH2 \n1582 N N . SER A 207 ? 0.2085 0.2825 0.3379 0.0009 -0.0009 -0.0115 899 SER A N \n1583 C CA . SER A 207 ? 0.2061 0.2771 0.3308 0.0000 -0.0005 -0.0102 899 SER A CA \n1584 C C . SER A 207 ? 0.2428 0.3088 0.3633 0.0007 0.0001 -0.0090 899 SER A C \n1585 O O . SER A 207 ? 0.2326 0.2940 0.3480 0.0005 0.0000 -0.0080 899 SER A O \n1586 C CB . SER A 207 ? 0.2226 0.2961 0.3471 -0.0009 0.0010 -0.0103 899 SER A CB \n1587 O OG . SER A 207 ? 0.3026 0.3809 0.4306 -0.0019 0.0010 -0.0114 899 SER A OG \n1588 N N . TYR A 208 ? 0.2420 0.3087 0.3642 0.0014 0.0011 -0.0091 900 TYR A N \n1589 C CA . TYR A 208 ? 0.2237 0.2863 0.3428 0.0018 0.0022 -0.0079 900 TYR A CA \n1590 C C . TYR A 208 ? 0.2569 0.3143 0.3721 0.0018 0.0005 -0.0074 900 TYR A C \n1591 O O . TYR A 208 ? 0.2346 0.2873 0.3444 0.0017 0.0016 -0.0063 900 TYR A O \n1592 C CB . TYR A 208 ? 0.2786 0.3430 0.4007 0.0019 0.0030 -0.0080 900 TYR A CB \n1593 C CG . TYR A 208 ? 0.2518 0.3129 0.3715 0.0018 0.0045 -0.0065 900 TYR A CG \n1594 C CD1 . TYR A 208 ? 0.2530 0.3102 0.3705 0.0015 0.0032 -0.0060 900 TYR A CD1 \n1595 C CD2 . TYR A 208 ? 0.3118 0.3738 0.4316 0.0019 0.0072 -0.0056 900 TYR A CD2 \n1596 C CE1 . TYR A 208 ? 0.3283 0.3825 0.4431 0.0008 0.0050 -0.0045 900 TYR A CE1 \n1597 C CE2 . TYR A 208 ? 0.2675 0.3274 0.3859 0.0016 0.0093 -0.0042 900 TYR A CE2 \n1598 C CZ . TYR A 208 ? 0.3254 0.3813 0.4408 0.0008 0.0084 -0.0036 900 TYR A CZ \n1599 O OH . TYR A 208 ? 0.3145 0.3683 0.4279 0.0000 0.0108 -0.0021 900 TYR A OH \n1600 N N . GLY A 209 ? 0.2667 0.3246 0.3842 0.0019 -0.0021 -0.0082 901 GLY A N \n1601 C CA . GLY A 209 ? 0.2484 0.3005 0.3621 0.0018 -0.0047 -0.0076 901 GLY A CA \n1602 C C . GLY A 209 ? 0.2556 0.3041 0.3645 0.0012 -0.0055 -0.0068 901 GLY A C \n1603 O O . GLY A 209 ? 0.2543 0.2957 0.3565 0.0009 -0.0063 -0.0058 901 GLY A O \n1604 N N . VAL A 210 ? 0.2625 0.3151 0.3742 0.0007 -0.0057 -0.0073 902 VAL A N \n1605 C CA . VAL A 210 ? 0.2244 0.2733 0.3314 -0.0001 -0.0071 -0.0066 902 VAL A CA \n1606 C C . VAL A 210 ? 0.2572 0.3008 0.3569 0.0002 -0.0044 -0.0057 902 VAL A C \n1607 O O . VAL A 210 ? 0.2896 0.3259 0.3819 0.0000 -0.0053 -0.0048 902 VAL A O \n1608 C CB . VAL A 210 ? 0.2599 0.3144 0.3714 -0.0012 -0.0077 -0.0071 902 VAL A CB \n1609 C CG1 . VAL A 210 ? 0.2876 0.3371 0.3938 -0.0026 -0.0101 -0.0060 902 VAL A CG1 \n1610 C CG2 . VAL A 210 ? 0.2210 0.2817 0.3407 -0.0011 -0.0094 -0.0082 902 VAL A CG2 \n1611 N N . THR A 211 ? 0.2530 0.3003 0.3550 0.0008 -0.0012 -0.0059 903 THR A N \n1612 C CA . THR A 211 ? 0.2645 0.3083 0.3615 0.0017 0.0017 -0.0053 903 THR A CA \n1613 C C . THR A 211 ? 0.2164 0.2538 0.3074 0.0021 0.0028 -0.0045 903 THR A C \n1614 O O . THR A 211 ? 0.2578 0.2885 0.3411 0.0025 0.0037 -0.0039 903 THR A O \n1615 C CB . THR A 211 ? 0.2349 0.2845 0.3372 0.0024 0.0044 -0.0057 903 THR A CB \n1616 O OG1 . THR A 211 ? 0.2518 0.3059 0.3578 0.0017 0.0033 -0.0064 903 THR A OG1 \n1617 C CG2 . THR A 211 ? 0.2580 0.3053 0.3570 0.0038 0.0075 -0.0052 903 THR A CG2 \n1618 N N . VAL A 212 ? 0.2426 0.2813 0.3365 0.0018 0.0028 -0.0044 904 VAL A N \n1619 C CA . VAL A 212 ? 0.2678 0.3003 0.3557 0.0016 0.0037 -0.0034 904 VAL A CA \n1620 C C . VAL A 212 ? 0.3394 0.3633 0.4191 0.0010 0.0007 -0.0030 904 VAL A C \n1621 O O . VAL A 212 ? 0.2939 0.3104 0.3649 0.0010 0.0023 -0.0022 904 VAL A O \n1622 C CB . VAL A 212 ? 0.2888 0.3234 0.3808 0.0010 0.0030 -0.0034 904 VAL A CB \n1623 C CG1 . VAL A 212 ? 0.3699 0.3967 0.4545 0.0001 0.0031 -0.0022 904 VAL A CG1 \n1624 C CG2 . VAL A 212 ? 0.3306 0.3718 0.4290 0.0012 0.0060 -0.0034 904 VAL A CG2 \n1625 N N . TRP A 213 ? 0.2856 0.3104 0.3680 0.0005 -0.0037 -0.0035 905 TRP A N \n1626 C CA . TRP A 213 ? 0.2986 0.3156 0.3743 -0.0002 -0.0075 -0.0029 905 TRP A CA \n1627 C C . TRP A 213 ? 0.2931 0.3046 0.3609 0.0000 -0.0063 -0.0025 905 TRP A C \n1628 O O . TRP A 213 ? 0.3043 0.3058 0.3618 -0.0003 -0.0071 -0.0018 905 TRP A O \n1629 C CB . TRP A 213 ? 0.3086 0.3302 0.3915 -0.0007 -0.0122 -0.0035 905 TRP A CB \n1630 C CG . TRP A 213 ? 0.3462 0.3602 0.4237 -0.0018 -0.0174 -0.0028 905 TRP A CG \n1631 C CD1 . TRP A 213 ? 0.3501 0.3587 0.4256 -0.0022 -0.0216 -0.0024 905 TRP A CD1 \n1632 C CD2 . TRP A 213 ? 0.3405 0.3508 0.4139 -0.0028 -0.0198 -0.0022 905 TRP A CD2 \n1633 N NE1 . TRP A 213 ? 0.3245 0.3263 0.3950 -0.0033 -0.0264 -0.0015 905 TRP A NE1 \n1634 C CE2 . TRP A 213 ? 0.3770 0.3799 0.4463 -0.0038 -0.0254 -0.0014 905 TRP A CE2 \n1635 C CE3 . TRP A 213 ? 0.3516 0.3636 0.4242 -0.0031 -0.0182 -0.0022 905 TRP A CE3 \n1636 C CZ2 . TRP A 213 ? 0.3816 0.3788 0.4460 -0.0053 -0.0295 -0.0005 905 TRP A CZ2 \n1637 C CZ3 . TRP A 213 ? 0.3452 0.3513 0.4125 -0.0045 -0.0221 -0.0014 905 TRP A CZ3 \n1638 C CH2 . TRP A 213 ? 0.3738 0.3728 0.4373 -0.0057 -0.0277 -0.0005 905 TRP A CH2 \n1639 N N . GLU A 214 ? 0.2689 0.2858 0.3406 0.0004 -0.0046 -0.0030 906 GLU A N \n1640 C CA . GLU A 214 ? 0.3126 0.3240 0.3769 0.0009 -0.0037 -0.0028 906 GLU A CA \n1641 C C . GLU A 214 ? 0.3525 0.3579 0.4089 0.0023 0.0005 -0.0026 906 GLU A C \n1642 O O . GLU A 214 ? 0.3749 0.3710 0.4210 0.0027 0.0005 -0.0022 906 GLU A O \n1643 C CB . GLU A 214 ? 0.3406 0.3589 0.4104 0.0014 -0.0021 -0.0035 906 GLU A CB \n1644 C CG . GLU A 214 ? 0.3056 0.3293 0.3816 -0.0001 -0.0055 -0.0037 906 GLU A CG \n1645 C CD . GLU A 214 ? 0.2970 0.3255 0.3762 0.0000 -0.0038 -0.0042 906 GLU A CD \n1646 O OE1 . GLU A 214 ? 0.3344 0.3583 0.4081 -0.0002 -0.0050 -0.0039 906 GLU A OE1 \n1647 O OE2 . GLU A 214 ? 0.3234 0.3593 0.4098 0.0004 -0.0018 -0.0048 906 GLU A OE2 \n1648 N N . LEU A 215 ? 0.3417 0.3524 0.4031 0.0030 0.0044 -0.0027 907 LEU A N \n1649 C CA . LEU A 215 ? 0.3738 0.3807 0.4296 0.0042 0.0094 -0.0023 907 LEU A CA \n1650 C C . LEU A 215 ? 0.3713 0.3676 0.4163 0.0032 0.0087 -0.0015 907 LEU A C \n1651 O O . LEU A 215 ? 0.3895 0.3773 0.4240 0.0041 0.0110 -0.0013 907 LEU A O \n1652 C CB . LEU A 215 ? 0.3539 0.3695 0.4188 0.0045 0.0130 -0.0023 907 LEU A CB \n1653 C CG . LEU A 215 ? 0.3402 0.3647 0.4141 0.0056 0.0141 -0.0030 907 LEU A CG \n1654 C CD1 . LEU A 215 ? 0.3761 0.4074 0.4573 0.0058 0.0176 -0.0027 907 LEU A CD1 \n1655 C CD2 . LEU A 215 ? 0.3543 0.3759 0.4240 0.0076 0.0155 -0.0035 907 LEU A CD2 \n1656 N N . MET A 216 ? 0.4067 0.4030 0.4538 0.0015 0.0053 -0.0010 908 MET A N \n1657 C CA . MET A 216 ? 0.4104 0.3966 0.4477 0.0002 0.0039 -0.0001 908 MET A CA \n1658 C C . MET A 216 ? 0.4198 0.3949 0.4463 -0.0003 -0.0003 0.0001 908 MET A C \n1659 O O . MET A 216 ? 0.4184 0.3826 0.4337 -0.0013 -0.0011 0.0009 908 MET A O \n1660 C CB . MET A 216 ? 0.3638 0.3527 0.4068 -0.0011 0.0004 0.0001 908 MET A CB \n1661 C CG . MET A 216 ? 0.3814 0.3793 0.4335 -0.0011 0.0037 0.0000 908 MET A CG \n1662 S SD . MET A 216 ? 0.4694 0.4642 0.5153 -0.0015 0.0107 0.0012 908 MET A SD \n1663 C CE . MET A 216 ? 0.4280 0.4357 0.4878 -0.0014 0.0135 0.0011 908 MET A CE \n1664 N N . THR A 217 ? 0.4389 0.4162 0.4685 0.0000 -0.0035 -0.0003 909 THR A N \n1665 C CA . THR A 217 ? 0.4027 0.3697 0.4226 -0.0008 -0.0081 0.0000 909 THR A CA \n1666 C C . THR A 217 ? 0.4574 0.4193 0.4692 0.0007 -0.0048 -0.0003 909 THR A C \n1667 O O . THR A 217 ? 0.4372 0.3901 0.4403 0.0003 -0.0083 0.0000 909 THR A O \n1668 C CB . THR A 217 ? 0.3820 0.3542 0.4101 -0.0019 -0.0141 0.0000 909 THR A CB \n1669 O OG1 . THR A 217 ? 0.4039 0.3859 0.4407 -0.0011 -0.0119 -0.0007 909 THR A OG1 \n1670 C CG2 . THR A 217 ? 0.4312 0.4083 0.4678 -0.0030 -0.0179 0.0001 909 THR A CG2 \n1671 N N . PHE A 218 ? 0.4201 0.3877 0.4353 0.0027 0.0015 -0.0009 910 PHE A N \n1672 C CA . PHE A 218 ? 0.5089 0.4731 0.5182 0.0050 0.0051 -0.0017 910 PHE A CA \n1673 C C . PHE A 218 ? 0.4800 0.4459 0.4920 0.0049 0.0011 -0.0020 910 PHE A C \n1674 O O . PHE A 218 ? 0.4512 0.4083 0.4535 0.0058 0.0002 -0.0022 910 PHE A O \n1675 C CB . PHE A 218 ? 0.5081 0.4577 0.5008 0.0055 0.0068 -0.0014 910 PHE A CB \n1676 C CG . PHE A 218 ? 0.4744 0.4225 0.4641 0.0051 0.0112 -0.0009 910 PHE A CG \n1677 C CD1 . PHE A 218 ? 0.5609 0.5151 0.5545 0.0069 0.0188 -0.0014 910 PHE A CD1 \n1678 C CD2 . PHE A 218 ? 0.5242 0.4647 0.5075 0.0025 0.0075 0.0001 910 PHE A CD2 \n1679 C CE1 . PHE A 218 ? 0.5072 0.4603 0.4983 0.0059 0.0230 -0.0006 910 PHE A CE1 \n1680 C CE2 . PHE A 218 ? 0.5194 0.4576 0.4989 0.0016 0.0114 0.0008 910 PHE A CE2 \n1681 C CZ . PHE A 218 ? 0.5210 0.4657 0.5043 0.0031 0.0194 0.0005 910 PHE A CZ \n1682 N N . GLY A 219 ? 0.3825 0.3592 0.4070 0.0038 -0.0010 -0.0021 911 GLY A N \n1683 C CA . GLY A 219 ? 0.3826 0.3628 0.4111 0.0033 -0.0037 -0.0023 911 GLY A CA \n1684 C C . GLY A 219 ? 0.3959 0.3723 0.4225 0.0007 -0.0104 -0.0015 911 GLY A C \n1685 O O . GLY A 219 ? 0.3953 0.3699 0.4200 0.0001 -0.0128 -0.0014 911 GLY A O \n1686 N N . SER A 220 ? 0.4351 0.4103 0.4626 -0.0009 -0.0138 -0.0008 912 SER A N \n1687 C CA . SER A 220 ? 0.4092 0.3841 0.4392 -0.0036 -0.0204 0.0000 912 SER A CA \n1688 C C . SER A 220 ? 0.3741 0.3617 0.4173 -0.0046 -0.0210 -0.0003 912 SER A C \n1689 O O . SER A 220 ? 0.3525 0.3497 0.4044 -0.0036 -0.0173 -0.0012 912 SER A O \n1690 C CB . SER A 220 ? 0.4691 0.4409 0.4990 -0.0047 -0.0242 0.0006 912 SER A CB \n1691 O OG . SER A 220 ? 0.4822 0.4405 0.4979 -0.0044 -0.0243 0.0011 912 SER A OG \n1692 N N . LYS A 221 ? 0.4242 0.4114 0.4685 -0.0071 -0.0260 0.0004 913 LYS A N \n1693 C CA . LYS A 221 ? 0.4383 0.4369 0.4943 -0.0088 -0.0267 0.0003 913 LYS A CA \n1694 C C . LYS A 221 ? 0.4370 0.4437 0.5039 -0.0096 -0.0287 0.0001 913 LYS A C \n1695 O O . LYS A 221 ? 0.3920 0.3943 0.4578 -0.0108 -0.0336 0.0010 913 LYS A O \n1696 C CB . LYS A 221 ? 0.4642 0.4587 0.5165 -0.0115 -0.0311 0.0015 913 LYS A CB \n1697 C CG . LYS A 221 ? 0.5168 0.5046 0.5598 -0.0107 -0.0295 0.0014 913 LYS A CG \n1698 C CD . LYS A 221 ? 0.6868 0.6690 0.7250 -0.0139 -0.0348 0.0028 913 LYS A CD \n1699 C CE . LYS A 221 ? 0.7861 0.7795 0.8356 -0.0170 -0.0358 0.0033 913 LYS A CE \n1700 N NZ . LYS A 221 ? 0.9970 0.9850 1.0419 -0.0208 -0.0412 0.0050 913 LYS A NZ \n1701 N N . PRO A 222 ? 0.4009 0.4187 0.4782 -0.0087 -0.0253 -0.0009 914 PRO A N \n1702 C CA . PRO A 222 ? 0.3311 0.3559 0.4184 -0.0087 -0.0269 -0.0014 914 PRO A CA \n1703 C C . PRO A 222 ? 0.3990 0.4284 0.4934 -0.0113 -0.0314 -0.0007 914 PRO A C \n1704 O O . PRO A 222 ? 0.3790 0.4121 0.4752 -0.0133 -0.0311 -0.0003 914 PRO A O \n1705 C CB . PRO A 222 ? 0.3862 0.4207 0.4812 -0.0073 -0.0219 -0.0028 914 PRO A CB \n1706 C CG . PRO A 222 ? 0.3979 0.4332 0.4902 -0.0078 -0.0192 -0.0028 914 PRO A CG \n1707 C CD . PRO A 222 ? 0.3830 0.4067 0.4630 -0.0076 -0.0203 -0.0018 914 PRO A CD \n1708 N N . TYR A 223 ? 0.3786 0.4078 0.4770 -0.0115 -0.0358 -0.0004 915 TYR A N \n1709 C CA . TYR A 223 ? 0.3816 0.4160 0.4884 -0.0139 -0.0404 0.0002 915 TYR A CA \n1710 C C . TYR A 223 ? 0.4591 0.4876 0.5592 -0.0170 -0.0433 0.0020 915 TYR A C \n1711 O O . TYR A 223 ? 0.5290 0.5647 0.6359 -0.0196 -0.0439 0.0025 915 TYR A O \n1712 C CB . TYR A 223 ? 0.3680 0.4170 0.4885 -0.0140 -0.0372 -0.0009 915 TYR A CB \n1713 C CG . TYR A 223 ? 0.3113 0.3658 0.4369 -0.0109 -0.0332 -0.0029 915 TYR A CG \n1714 C CD1 . TYR A 223 ? 0.3498 0.4063 0.4818 -0.0091 -0.0357 -0.0037 915 TYR A CD1 \n1715 C CD2 . TYR A 223 ? 0.3966 0.4536 0.5204 -0.0098 -0.0275 -0.0039 915 TYR A CD2 \n1716 C CE1 . TYR A 223 ? 0.3620 0.4227 0.4979 -0.0063 -0.0324 -0.0055 915 TYR A CE1 \n1717 C CE2 . TYR A 223 ? 0.3334 0.3947 0.4613 -0.0073 -0.0244 -0.0056 915 TYR A CE2 \n1718 C CZ . TYR A 223 ? 0.3187 0.3816 0.4522 -0.0056 -0.0268 -0.0064 915 TYR A CZ \n1719 O OH . TYR A 223 ? 0.3887 0.4551 0.5258 -0.0032 -0.0240 -0.0080 915 TYR A OH \n1720 N N . ASP A 224 ? 0.5151 0.5301 0.6012 -0.0168 -0.0448 0.0028 916 ASP A N \n1721 C CA . ASP A 224 ? 0.5830 0.5895 0.6598 -0.0192 -0.0478 0.0044 916 ASP A CA \n1722 C C . ASP A 224 ? 0.5812 0.5897 0.6643 -0.0227 -0.0546 0.0060 916 ASP A C \n1723 O O . ASP A 224 ? 0.5600 0.5678 0.6470 -0.0227 -0.0590 0.0064 916 ASP A O \n1724 C CB . ASP A 224 ? 0.6434 0.6340 0.7037 -0.0178 -0.0487 0.0047 916 ASP A CB \n1725 C CG . ASP A 224 ? 0.6817 0.6618 0.7302 -0.0196 -0.0511 0.0059 916 ASP A CG \n1726 O OD1 . ASP A 224 ? 0.7661 0.7321 0.8011 -0.0192 -0.0537 0.0065 916 ASP A OD1 \n1727 O OD2 . ASP A 224 ? 0.5865 0.5715 0.6381 -0.0214 -0.0504 0.0062 916 ASP A OD2 \n1728 N N . GLY A 225 ? 0.6830 0.6945 0.7678 -0.0259 -0.0555 0.0071 917 GLY A N \n1729 C CA . GLY A 225 ? 0.9298 0.9438 1.0211 -0.0300 -0.0618 0.0090 917 GLY A CA \n1730 C C . GLY A 225 ? 0.8729 0.9039 0.9827 -0.0311 -0.0605 0.0086 917 GLY A C \n1731 O O . GLY A 225 ? 0.7563 0.7930 0.8731 -0.0350 -0.0633 0.0101 917 GLY A O \n1732 N N . ILE A 226 ? 0.7571 0.7962 0.8746 -0.0276 -0.0562 0.0065 918 ILE A N \n1733 C CA . ILE A 226 ? 0.5624 0.6176 0.6970 -0.0276 -0.0538 0.0054 918 ILE A CA \n1734 C C . ILE A 226 ? 0.6378 0.7016 0.7757 -0.0295 -0.0482 0.0051 918 ILE A C \n1735 O O . ILE A 226 ? 0.6158 0.6769 0.7463 -0.0279 -0.0433 0.0040 918 ILE A O \n1736 C CB . ILE A 226 ? 0.6731 0.7322 0.8133 -0.0232 -0.0514 0.0032 918 ILE A CB \n1737 C CG1 . ILE A 226 ? 0.7936 0.8458 0.9331 -0.0223 -0.0582 0.0038 918 ILE A CG1 \n1738 C CG2 . ILE A 226 ? 0.5529 0.6280 0.7088 -0.0225 -0.0475 0.0016 918 ILE A CG2 \n1739 C CD1 . ILE A 226 ? 0.9994 1.0506 1.1395 -0.0180 -0.0567 0.0020 918 ILE A CD1 \n1740 N N . PRO A 227 ? 0.6265 0.7005 0.7753 -0.0331 -0.0490 0.0060 919 PRO A N \n1741 C CA . PRO A 227 ? 0.5769 0.6580 0.7276 -0.0355 -0.0440 0.0060 919 PRO A CA \n1742 C C . PRO A 227 ? 0.5006 0.5904 0.6568 -0.0322 -0.0369 0.0032 919 PRO A C \n1743 O O . PRO A 227 ? 0.3791 0.4759 0.5452 -0.0292 -0.0361 0.0016 919 PRO A O \n1744 C CB . PRO A 227 ? 0.5345 0.6259 0.6978 -0.0400 -0.0464 0.0076 919 PRO A CB \n1745 C CG . PRO A 227 ? 0.6697 0.7568 0.8356 -0.0403 -0.0541 0.0090 919 PRO A CG \n1746 C CD . PRO A 227 ? 0.6948 0.7748 0.8556 -0.0350 -0.0544 0.0072 919 PRO A CD \n1747 N N . ALA A 228 ? 0.4646 0.5533 0.6142 -0.0326 -0.0323 0.0028 920 ALA A N \n1748 C CA . ALA A 228 ? 0.5895 0.6847 0.7422 -0.0299 -0.0259 0.0004 920 ALA A CA \n1749 C C . ALA A 228 ? 0.5724 0.6819 0.7400 -0.0302 -0.0230 -0.0008 920 ALA A C \n1750 O O . ALA A 228 ? 0.4040 0.5184 0.5764 -0.0265 -0.0196 -0.0031 920 ALA A O \n1751 C CB . ALA A 228 ? 0.4500 0.5418 0.5939 -0.0313 -0.0225 0.0005 920 ALA A CB \n1752 N N . SER A 229 ? 0.4367 0.5529 0.6115 -0.0345 -0.0245 0.0007 921 SER A N \n1753 C CA . SER A 229 ? 0.3859 0.5166 0.5758 -0.0347 -0.0213 -0.0004 921 SER A CA \n1754 C C . SER A 229 ? 0.4132 0.5485 0.6137 -0.0305 -0.0235 -0.0019 921 SER A C \n1755 O O . SER A 229 ? 0.4524 0.5991 0.6648 -0.0288 -0.0199 -0.0038 921 SER A O \n1756 C CB . SER A 229 ? 0.4430 0.5803 0.6390 -0.0408 -0.0224 0.0019 921 SER A CB \n1757 O OG . SER A 229 ? 0.4650 0.5994 0.6640 -0.0425 -0.0297 0.0041 921 SER A OG \n1758 N N . GLU A 230 ? 0.3843 0.5101 0.5800 -0.0287 -0.0293 -0.0012 922 GLU A N \n1759 C CA . GLU A 230 ? 0.3692 0.4972 0.5734 -0.0249 -0.0326 -0.0024 922 GLU A CA \n1760 C C . GLU A 230 ? 0.3093 0.4321 0.5081 -0.0197 -0.0304 -0.0047 922 GLU A C \n1761 O O . GLU A 230 ? 0.3589 0.4832 0.5641 -0.0162 -0.0327 -0.0061 922 GLU A O \n1762 C CB . GLU A 230 ? 0.4492 0.5692 0.6514 -0.0264 -0.0410 0.0000 922 GLU A CB \n1763 C CG . GLU A 230 ? 0.6298 0.7560 0.8406 -0.0314 -0.0447 0.0023 922 GLU A CG \n1764 C CD . GLU A 230 ? 0.8229 0.9618 1.0526 -0.0303 -0.0466 0.0016 922 GLU A CD \n1765 O OE1 . GLU A 230 ? 1.0418 1.1820 1.2778 -0.0336 -0.0528 0.0039 922 GLU A OE1 \n1766 O OE2 . GLU A 230 ? 0.6964 0.8438 0.9349 -0.0262 -0.0423 -0.0012 922 GLU A OE2 \n1767 N N . ILE A 231 ? 0.3651 0.4822 0.5528 -0.0193 -0.0265 -0.0051 923 ILE A N \n1768 C CA . ILE A 231 ? 0.2896 0.4007 0.4713 -0.0150 -0.0251 -0.0068 923 ILE A CA \n1769 C C . ILE A 231 ? 0.2475 0.3669 0.4386 -0.0112 -0.0218 -0.0097 923 ILE A C \n1770 O O . ILE A 231 ? 0.3079 0.4240 0.4996 -0.0078 -0.0241 -0.0107 923 ILE A O \n1771 C CB . ILE A 231 ? 0.3691 0.4725 0.5378 -0.0153 -0.0218 -0.0065 923 ILE A CB \n1772 C CG1 . ILE A 231 ? 0.3609 0.4530 0.5184 -0.0174 -0.0259 -0.0042 923 ILE A CG1 \n1773 C CG2 . ILE A 231 ? 0.3133 0.4137 0.4786 -0.0113 -0.0194 -0.0084 923 ILE A CG2 \n1774 C CD1 . ILE A 231 ? 0.3295 0.4124 0.4823 -0.0156 -0.0307 -0.0036 923 ILE A CD1 \n1775 N N . SER A 232 ? 0.2474 0.3767 0.4447 -0.0119 -0.0165 -0.0110 924 SER A N \n1776 C CA . SER A 232 ? 0.3373 0.4737 0.5427 -0.0080 -0.0132 -0.0140 924 SER A CA \n1777 C C . SER A 232 ? 0.3233 0.4644 0.5406 -0.0054 -0.0174 -0.0148 924 SER A C \n1778 O O . SER A 232 ? 0.2494 0.3900 0.4691 -0.0011 -0.0177 -0.0169 924 SER A O \n1779 C CB . SER A 232 ? 0.3770 0.5230 0.5867 -0.0094 -0.0067 -0.0152 924 SER A CB \n1780 O OG . SER A 232 ? 0.4008 0.5566 0.6213 -0.0122 -0.0068 -0.0144 924 SER A OG \n1781 N N . SER A 233 ? 0.3645 0.5099 0.5894 -0.0081 -0.0213 -0.0130 925 SER A N \n1782 C CA . SER A 233 ? 0.3453 0.4953 0.5824 -0.0053 -0.0258 -0.0139 925 SER A CA \n1783 C C . SER A 233 ? 0.3232 0.4611 0.5533 -0.0031 -0.0322 -0.0133 925 SER A C \n1784 O O . SER A 233 ? 0.3018 0.4398 0.5371 0.0010 -0.0345 -0.0151 925 SER A O \n1785 C CB . SER A 233 ? 0.4625 0.6213 0.7116 -0.0088 -0.0286 -0.0121 925 SER A CB \n1786 O OG . SER A 233 ? 0.5599 0.7102 0.8006 -0.0131 -0.0334 -0.0088 925 SER A OG \n1787 N N . ILE A 234 ? 0.3309 0.4573 0.5478 -0.0057 -0.0348 -0.0109 926 ILE A N \n1788 C CA . ILE A 234 ? 0.4040 0.5173 0.6111 -0.0042 -0.0398 -0.0102 926 ILE A CA \n1789 C C . ILE A 234 ? 0.3330 0.4431 0.5359 -0.0001 -0.0369 -0.0124 926 ILE A C \n1790 O O . ILE A 234 ? 0.3135 0.4201 0.5182 0.0029 -0.0407 -0.0133 926 ILE A O \n1791 C CB . ILE A 234 ? 0.4687 0.5711 0.6618 -0.0078 -0.0415 -0.0074 926 ILE A CB \n1792 C CG1 . ILE A 234 ? 0.5209 0.6210 0.7167 -0.0106 -0.0488 -0.0051 926 ILE A CG1 \n1793 C CG2 . ILE A 234 ? 0.5683 0.6582 0.7473 -0.0062 -0.0414 -0.0074 926 ILE A CG2 \n1794 C CD1 . ILE A 234 ? 0.6916 0.7819 0.8747 -0.0145 -0.0505 -0.0025 926 ILE A CD1 \n1795 N N . LEU A 235 ? 0.3673 0.4783 0.5647 -0.0001 -0.0306 -0.0133 927 LEU A N \n1796 C CA . LEU A 235 ? 0.3098 0.4185 0.5038 0.0032 -0.0276 -0.0153 927 LEU A CA \n1797 C C . LEU A 235 ? 0.2829 0.3989 0.4882 0.0072 -0.0275 -0.0181 927 LEU A C \n1798 O O . LEU A 235 ? 0.3000 0.4108 0.5032 0.0103 -0.0293 -0.0193 927 LEU A O \n1799 C CB . LEU A 235 ? 0.2930 0.4030 0.4813 0.0021 -0.0212 -0.0158 927 LEU A CB \n1800 C CG . LEU A 235 ? 0.3192 0.4211 0.4957 -0.0007 -0.0210 -0.0134 927 LEU A CG \n1801 C CD1 . LEU A 235 ? 0.3372 0.4409 0.5093 -0.0016 -0.0153 -0.0139 927 LEU A CD1 \n1802 C CD2 . LEU A 235 ? 0.3026 0.3933 0.4701 0.0004 -0.0241 -0.0126 927 LEU A CD2 \n1803 N N . GLU A 236 ? 0.3537 0.4815 0.5708 0.0070 -0.0252 -0.0192 928 GLU A N \n1804 C CA . GLU A 236 ? 0.3738 0.5098 0.6029 0.0112 -0.0245 -0.0222 928 GLU A CA \n1805 C C . GLU A 236 ? 0.4014 0.5346 0.6364 0.0138 -0.0318 -0.0222 928 GLU A C \n1806 O O . GLU A 236 ? 0.3668 0.5009 0.6066 0.0183 -0.0326 -0.0247 928 GLU A O \n1807 C CB . GLU A 236 ? 0.3825 0.5325 0.6235 0.0100 -0.0200 -0.0231 928 GLU A CB \n1808 C CG . GLU A 236 ? 0.4376 0.5914 0.6746 0.0090 -0.0121 -0.0243 928 GLU A CG \n1809 C CD . GLU A 236 ? 0.7449 0.9105 0.9904 0.0059 -0.0078 -0.0240 928 GLU A CD \n1810 O OE1 . GLU A 236 ? 0.8096 0.9807 1.0555 0.0063 -0.0011 -0.0260 928 GLU A OE1 \n1811 O OE2 . GLU A 236 ? 0.6572 0.8261 0.9083 0.0027 -0.0111 -0.0218 928 GLU A OE2 \n1812 N N . LYS A 237 ? 0.3971 0.5260 0.6309 0.0110 -0.0376 -0.0195 929 LYS A N \n1813 C CA . LYS A 237 ? 0.4089 0.5329 0.6464 0.0130 -0.0457 -0.0192 929 LYS A CA \n1814 C C . LYS A 237 ? 0.4814 0.5910 0.7058 0.0144 -0.0490 -0.0189 929 LYS A C \n1815 O O . LYS A 237 ? 0.4509 0.5543 0.6760 0.0162 -0.0559 -0.0187 929 LYS A O \n1816 C CB . LYS A 237 ? 0.5132 0.6365 0.7531 0.0092 -0.0513 -0.0163 929 LYS A CB \n1817 C CG . LYS A 237 ? 0.3792 0.5176 0.6348 0.0076 -0.0496 -0.0164 929 LYS A CG \n1818 C CD . LYS A 237 ? 0.7216 0.8580 0.9785 0.0033 -0.0558 -0.0131 929 LYS A CD \n1819 C CE . LYS A 237 ? 0.8811 1.0133 1.1438 0.0052 -0.0653 -0.0126 929 LYS A CE \n1820 N NZ . LYS A 237 ? 0.8529 0.9825 1.1168 0.0007 -0.0722 -0.0093 929 LYS A NZ \n1821 N N . GLY A 238 ? 0.3690 0.4731 0.5814 0.0135 -0.0443 -0.0187 930 GLY A N \n1822 C CA . GLY A 238 ? 0.4023 0.4936 0.6022 0.0142 -0.0462 -0.0182 930 GLY A CA \n1823 C C . GLY A 238 ? 0.4049 0.4849 0.5916 0.0107 -0.0484 -0.0151 930 GLY A C \n1824 O O . GLY A 238 ? 0.4413 0.5104 0.6172 0.0108 -0.0499 -0.0144 930 GLY A O \n1825 N N . GLU A 239 ? 0.3176 0.3997 0.5045 0.0074 -0.0486 -0.0133 931 GLU A N \n1826 C CA . GLU A 239 ? 0.3345 0.4052 0.5084 0.0043 -0.0509 -0.0106 931 GLU A CA \n1827 C C . GLU A 239 ? 0.2811 0.3485 0.4443 0.0032 -0.0447 -0.0103 931 GLU A C \n1828 O O . GLU A 239 ? 0.2834 0.3590 0.4505 0.0033 -0.0390 -0.0114 931 GLU A O \n1829 C CB . GLU A 239 ? 0.3812 0.4543 0.5582 0.0011 -0.0537 -0.0088 931 GLU A CB \n1830 C CG . GLU A 239 ? 0.5529 0.6132 0.7156 -0.0018 -0.0564 -0.0062 931 GLU A CG \n1831 C CD . GLU A 239 ? 0.7991 0.8607 0.9648 -0.0051 -0.0605 -0.0043 931 GLU A CD \n1832 O OE1 . GLU A 239 ? 0.5916 0.6628 0.7715 -0.0050 -0.0632 -0.0047 931 GLU A OE1 \n1833 O OE2 . GLU A 239 ? 0.6145 0.6674 0.7686 -0.0078 -0.0609 -0.0024 931 GLU A OE2 \n1834 N N . ARG A 240 ? 0.3370 0.3922 0.4871 0.0023 -0.0458 -0.0088 932 ARG A N \n1835 C CA . ARG A 240 ? 0.2919 0.3436 0.4323 0.0017 -0.0401 -0.0085 932 ARG A CA \n1836 C C . ARG A 240 ? 0.3610 0.4019 0.4887 -0.0006 -0.0412 -0.0063 932 ARG A C \n1837 O O . ARG A 240 ? 0.3586 0.3928 0.4831 -0.0017 -0.0468 -0.0050 932 ARG A O \n1838 C CB . ARG A 240 ? 0.2782 0.3264 0.4157 0.0038 -0.0389 -0.0094 932 ARG A CB \n1839 C CG . ARG A 240 ? 0.2771 0.3344 0.4244 0.0064 -0.0365 -0.0119 932 ARG A CG \n1840 C CD . ARG A 240 ? 0.2802 0.3471 0.4322 0.0060 -0.0307 -0.0128 932 ARG A CD \n1841 N NE . ARG A 240 ? 0.2848 0.3588 0.4443 0.0085 -0.0284 -0.0153 932 ARG A NE \n1842 C CZ . ARG A 240 ? 0.4712 0.5539 0.6418 0.0102 -0.0289 -0.0170 932 ARG A CZ \n1843 N NH1 . ARG A 240 ? 0.3682 0.4558 0.5437 0.0128 -0.0263 -0.0194 932 ARG A NH1 \n1844 N NH2 . ARG A 240 ? 0.2781 0.3644 0.4549 0.0092 -0.0320 -0.0164 932 ARG A NH2 \n1845 N N . LEU A 241 ? 0.3078 0.3466 0.4280 -0.0012 -0.0361 -0.0059 933 LEU A N \n1846 C CA . LEU A 241 ? 0.2899 0.3176 0.3970 -0.0027 -0.0364 -0.0041 933 LEU A CA \n1847 C C . LEU A 241 ? 0.3058 0.3227 0.4047 -0.0023 -0.0394 -0.0034 933 LEU A C \n1848 O O . LEU A 241 ? 0.3728 0.3908 0.4740 -0.0009 -0.0387 -0.0043 933 LEU A O \n1849 C CB . LEU A 241 ? 0.3298 0.3583 0.4320 -0.0027 -0.0300 -0.0042 933 LEU A CB \n1850 C CG . LEU A 241 ? 0.3165 0.3533 0.4242 -0.0035 -0.0275 -0.0046 933 LEU A CG \n1851 C CD1 . LEU A 241 ? 0.2743 0.3138 0.3803 -0.0028 -0.0215 -0.0051 933 LEU A CD1 \n1852 C CD2 . LEU A 241 ? 0.2660 0.2977 0.3685 -0.0057 -0.0305 -0.0031 933 LEU A CD2 \n1853 N N . PRO A 242 ? 0.3400 0.3455 0.4284 -0.0038 -0.0431 -0.0019 934 PRO A N \n1854 C CA . PRO A 242 ? 0.3738 0.3673 0.4527 -0.0040 -0.0467 -0.0010 934 PRO A CA \n1855 C C . PRO A 242 ? 0.3860 0.3737 0.4550 -0.0038 -0.0414 -0.0007 934 PRO A C \n1856 O O . PRO A 242 ? 0.3631 0.3536 0.4301 -0.0037 -0.0355 -0.0008 934 PRO A O \n1857 C CB . PRO A 242 ? 0.4855 0.4687 0.5552 -0.0060 -0.0515 0.0005 934 PRO A CB \n1858 C CG . PRO A 242 ? 0.4641 0.4511 0.5333 -0.0067 -0.0477 0.0006 934 PRO A CG \n1859 C CD . PRO A 242 ? 0.4178 0.4205 0.5020 -0.0057 -0.0444 -0.0008 934 PRO A CD \n1860 N N . GLN A 243 ? 0.3725 0.3520 0.4355 -0.0039 -0.0438 -0.0002 935 GLN A N \n1861 C CA . GLN A 243 ? 0.3597 0.3326 0.4125 -0.0044 -0.0391 0.0004 935 GLN A CA \n1862 C C . GLN A 243 ? 0.4123 0.3765 0.4521 -0.0055 -0.0361 0.0014 935 GLN A C \n1863 O O . GLN A 243 ? 0.4729 0.4268 0.5038 -0.0067 -0.0406 0.0024 935 GLN A O \n1864 C CB . GLN A 243 ? 0.4106 0.3739 0.4573 -0.0050 -0.0433 0.0010 935 GLN A CB \n1865 C CG . GLN A 243 ? 0.4792 0.4350 0.5146 -0.0062 -0.0384 0.0021 935 GLN A CG \n1866 C CD . GLN A 243 ? 0.5311 0.4771 0.5601 -0.0073 -0.0429 0.0029 935 GLN A CD \n1867 O OE1 . GLN A 243 ? 0.4912 0.4363 0.5251 -0.0066 -0.0498 0.0024 935 GLN A OE1 \n1868 N NE2 . GLN A 243 ? 0.4526 0.3909 0.4705 -0.0090 -0.0389 0.0041 935 GLN A NE2 \n1869 N N . PRO A 244 ? 0.4594 0.4274 0.4979 -0.0050 -0.0287 0.0012 936 PRO A N \n1870 C CA . PRO A 244 ? 0.5057 0.4650 0.5315 -0.0055 -0.0253 0.0020 936 PRO A CA \n1871 C C . PRO A 244 ? 0.4791 0.4243 0.4903 -0.0069 -0.0259 0.0032 936 PRO A C \n1872 O O . PRO A 244 ? 0.4662 0.4112 0.4781 -0.0074 -0.0254 0.0035 936 PRO A O \n1873 C CB . PRO A 244 ? 0.4335 0.4017 0.4640 -0.0042 -0.0175 0.0013 936 PRO A CB \n1874 C CG . PRO A 244 ? 0.4068 0.3886 0.4528 -0.0033 -0.0181 0.0001 936 PRO A CG \n1875 C CD . PRO A 244 ? 0.4467 0.4272 0.4960 -0.0038 -0.0236 0.0002 936 PRO A CD \n1876 N N . PRO A 245 ? 0.5087 0.4411 0.5060 -0.0077 -0.0275 0.0040 937 PRO A N \n1877 C CA . PRO A 245 ? 0.5432 0.4601 0.5243 -0.0094 -0.0283 0.0052 937 PRO A CA \n1878 C C . PRO A 245 ? 0.5480 0.4646 0.5246 -0.0098 -0.0208 0.0056 937 PRO A C \n1879 O O . PRO A 245 ? 0.5174 0.4251 0.4857 -0.0116 -0.0221 0.0066 937 PRO A O \n1880 C CB . PRO A 245 ? 0.6300 0.5356 0.5977 -0.0096 -0.0290 0.0056 937 PRO A CB \n1881 C CG . PRO A 245 ? 0.6278 0.5407 0.6057 -0.0090 -0.0335 0.0050 937 PRO A CG \n1882 C CD . PRO A 245 ? 0.5241 0.4550 0.5202 -0.0076 -0.0303 0.0038 937 PRO A CD \n1883 N N . ILE A 246 ? 0.4624 0.3885 0.4447 -0.0082 -0.0132 0.0048 938 ILE A N \n1884 C CA . ILE A 246 ? 0.5111 0.4384 0.4909 -0.0087 -0.0057 0.0053 938 ILE A CA \n1885 C C . ILE A 246 ? 0.4991 0.4352 0.4899 -0.0094 -0.0059 0.0055 938 ILE A C \n1886 O O . ILE A 246 ? 0.5462 0.4816 0.5341 -0.0108 -0.0012 0.0064 938 ILE A O \n1887 C CB . ILE A 246 ? 0.4503 0.3843 0.4324 -0.0066 0.0023 0.0045 938 ILE A CB \n1888 C CG1 . ILE A 246 ? 0.4676 0.4175 0.4670 -0.0048 0.0028 0.0033 938 ILE A CG1 \n1889 C CG2 . ILE A 246 ? 0.4951 0.4185 0.4642 -0.0056 0.0030 0.0042 938 ILE A CG2 \n1890 C CD1 . ILE A 246 ? 0.4473 0.4052 0.4513 -0.0028 0.0106 0.0027 938 ILE A CD1 \n1891 N N . CYS A 247 ? 0.4487 0.3927 0.4517 -0.0087 -0.0111 0.0047 939 CYS A N \n1892 C CA . CYS A 247 ? 0.4063 0.3590 0.4199 -0.0088 -0.0109 0.0046 939 CYS A CA \n1893 C C . CYS A 247 ? 0.4783 0.4225 0.4869 -0.0106 -0.0163 0.0055 939 CYS A C \n1894 O O . CYS A 247 ? 0.4223 0.3602 0.4285 -0.0107 -0.0235 0.0054 939 CYS A O \n1895 C CB . CYS A 247 ? 0.4085 0.3738 0.4375 -0.0069 -0.0134 0.0030 939 CYS A CB \n1896 S SG . CYS A 247 ? 0.4672 0.4438 0.5041 -0.0049 -0.0079 0.0019 939 CYS A SG \n1897 N N . THR A 248 ? 0.4268 0.3711 0.4347 -0.0122 -0.0135 0.0064 940 THR A N \n1898 C CA . THR A 248 ? 0.4738 0.4124 0.4804 -0.0135 -0.0195 0.0069 940 THR A CA \n1899 C C . THR A 248 ? 0.4529 0.4015 0.4741 -0.0112 -0.0242 0.0052 940 THR A C \n1900 O O . THR A 248 ? 0.4292 0.3897 0.4614 -0.0092 -0.0214 0.0039 940 THR A O \n1901 C CB . THR A 248 ? 0.4720 0.4094 0.4756 -0.0160 -0.0157 0.0083 940 THR A CB \n1902 O OG1 . THR A 248 ? 0.5134 0.4647 0.5296 -0.0150 -0.0107 0.0077 940 THR A OG1 \n1903 C CG2 . THR A 248 ? 0.5448 0.4722 0.5334 -0.0186 -0.0103 0.0101 940 THR A CG2 \n1904 N N . ILE A 249 ? 0.4422 0.3856 0.4634 -0.0113 -0.0311 0.0051 941 ILE A N \n1905 C CA . ILE A 249 ? 0.4685 0.4208 0.5033 -0.0088 -0.0354 0.0033 941 ILE A CA \n1906 C C . ILE A 249 ? 0.3739 0.3375 0.4188 -0.0080 -0.0310 0.0025 941 ILE A C \n1907 O O . ILE A 249 ? 0.4088 0.3826 0.4655 -0.0055 -0.0315 0.0006 941 ILE A O \n1908 C CB . ILE A 249 ? 0.5309 0.4744 0.5633 -0.0086 -0.0441 0.0032 941 ILE A CB \n1909 C CG1 . ILE A 249 ? 0.5203 0.4730 0.5671 -0.0052 -0.0487 0.0009 941 ILE A CG1 \n1910 C CG2 . ILE A 249 ? 0.4799 0.4164 0.5060 -0.0108 -0.0446 0.0044 941 ILE A CG2 \n1911 C CD1 . ILE A 249 ? 0.5661 0.5217 0.6170 -0.0039 -0.0513 0.0002 941 ILE A CD1 \n1912 N N . ASP A 250 ? 0.4504 0.4121 0.4907 -0.0103 -0.0267 0.0039 942 ASP A N \n1913 C CA . ASP A 250 ? 0.4483 0.4198 0.4973 -0.0101 -0.0227 0.0036 942 ASP A CA \n1914 C C . ASP A 250 ? 0.4059 0.3893 0.4639 -0.0082 -0.0180 0.0024 942 ASP A C \n1915 O O . ASP A 250 ? 0.3842 0.3769 0.4524 -0.0066 -0.0176 0.0010 942 ASP A O \n1916 C CB . ASP A 250 ? 0.4351 0.4026 0.4771 -0.0135 -0.0182 0.0058 942 ASP A CB \n1917 C CG . ASP A 250 ? 0.7314 0.6852 0.7615 -0.0162 -0.0222 0.0075 942 ASP A CG \n1918 O OD1 . ASP A 250 ? 0.7083 0.6600 0.7396 -0.0171 -0.0256 0.0077 942 ASP A OD1 \n1919 O OD2 . ASP A 250 ? 0.7888 0.7329 0.8076 -0.0175 -0.0225 0.0085 942 ASP A OD2 \n1920 N N . VAL A 251 ? 0.3904 0.3725 0.4435 -0.0084 -0.0145 0.0029 943 VAL A N \n1921 C CA . VAL A 251 ? 0.4005 0.3923 0.4606 -0.0067 -0.0103 0.0019 943 VAL A CA \n1922 C C . VAL A 251 ? 0.3956 0.3920 0.4626 -0.0045 -0.0144 0.0001 943 VAL A C \n1923 O O . VAL A 251 ? 0.3553 0.3615 0.4318 -0.0030 -0.0130 -0.0011 943 VAL A O \n1924 C CB . VAL A 251 ? 0.4723 0.4608 0.5246 -0.0073 -0.0053 0.0028 943 VAL A CB \n1925 C CG1 . VAL A 251 ? 0.4211 0.4182 0.4801 -0.0053 -0.0025 0.0017 943 VAL A CG1 \n1926 C CG2 . VAL A 251 ? 0.4546 0.4418 0.5030 -0.0094 0.0000 0.0045 943 VAL A CG2 \n1927 N N . TYR A 252 ? 0.3898 0.3791 0.4520 -0.0044 -0.0194 0.0001 944 TYR A N \n1928 C CA . TYR A 252 ? 0.3769 0.3711 0.4468 -0.0026 -0.0235 -0.0013 944 TYR A CA \n1929 C C . TYR A 252 ? 0.3481 0.3498 0.4287 -0.0009 -0.0257 -0.0030 944 TYR A C \n1930 O O . TYR A 252 ? 0.3501 0.3607 0.4398 0.0006 -0.0255 -0.0045 944 TYR A O \n1931 C CB . TYR A 252 ? 0.3798 0.3645 0.4429 -0.0031 -0.0292 -0.0007 944 TYR A CB \n1932 C CG . TYR A 252 ? 0.3995 0.3896 0.4709 -0.0017 -0.0333 -0.0019 944 TYR A CG \n1933 C CD1 . TYR A 252 ? 0.4645 0.4512 0.5382 -0.0011 -0.0404 -0.0023 944 TYR A CD1 \n1934 C CD2 . TYR A 252 ? 0.3556 0.3542 0.4328 -0.0011 -0.0303 -0.0026 944 TYR A CD2 \n1935 C CE1 . TYR A 252 ? 0.4129 0.4057 0.4955 0.0000 -0.0440 -0.0033 944 TYR A CE1 \n1936 C CE2 . TYR A 252 ? 0.3535 0.3574 0.4384 -0.0004 -0.0338 -0.0035 944 TYR A CE2 \n1937 C CZ . TYR A 252 ? 0.3918 0.3934 0.4799 0.0000 -0.0404 -0.0038 944 TYR A CZ \n1938 O OH . TYR A 252 ? 0.3729 0.3809 0.4701 0.0006 -0.0436 -0.0045 944 TYR A OH \n1939 N N . MET A 253 ? 0.3341 0.3315 0.4130 -0.0013 -0.0277 -0.0027 945 MET A N \n1940 C CA . MET A 253 ? 0.3745 0.3777 0.4624 0.0005 -0.0298 -0.0045 945 MET A CA \n1941 C C . MET A 253 ? 0.4277 0.4414 0.5232 0.0013 -0.0248 -0.0055 945 MET A C \n1942 O O . MET A 253 ? 0.3191 0.3397 0.4229 0.0034 -0.0257 -0.0074 945 MET A O \n1943 C CB . MET A 253 ? 0.4580 0.4539 0.5413 -0.0002 -0.0324 -0.0038 945 MET A CB \n1944 C CG . MET A 253 ? 0.6840 0.6707 0.7634 0.0001 -0.0396 -0.0038 945 MET A CG \n1945 S SD . MET A 253 ? 0.8264 0.8198 0.9181 0.0042 -0.0448 -0.0067 945 MET A SD \n1946 C CE . MET A 253 ? 0.3997 0.3933 0.4910 0.0038 -0.0461 -0.0062 945 MET A CE \n1947 N N . ILE A 254 ? 0.3490 0.3635 0.4413 -0.0003 -0.0197 -0.0041 946 ILE A N \n1948 C CA . ILE A 254 ? 0.3593 0.3830 0.4583 0.0002 -0.0157 -0.0049 946 ILE A CA \n1949 C C . ILE A 254 ? 0.2666 0.2970 0.3711 0.0016 -0.0151 -0.0063 946 ILE A C \n1950 O O . ILE A 254 ? 0.2907 0.3281 0.4023 0.0029 -0.0146 -0.0079 946 ILE A O \n1951 C CB . ILE A 254 ? 0.4030 0.4269 0.4986 -0.0015 -0.0104 -0.0032 946 ILE A CB \n1952 C CG1 . ILE A 254 ? 0.4918 0.5097 0.5824 -0.0036 -0.0105 -0.0015 946 ILE A CG1 \n1953 C CG2 . ILE A 254 ? 0.4208 0.4537 0.5237 -0.0009 -0.0071 -0.0039 946 ILE A CG2 \n1954 C CD1 . ILE A 254 ? 0.4936 0.5123 0.5817 -0.0055 -0.0050 0.0002 946 ILE A CD1 \n1955 N N . MET A 255 ? 0.2721 0.2998 0.3724 0.0011 -0.0150 -0.0055 947 MET A N \n1956 C CA . MET A 255 ? 0.3375 0.3705 0.4419 0.0018 -0.0148 -0.0064 947 MET A CA \n1957 C C . MET A 255 ? 0.3105 0.3476 0.4224 0.0034 -0.0187 -0.0082 947 MET A C \n1958 O O . MET A 255 ? 0.3151 0.3602 0.4341 0.0042 -0.0174 -0.0095 947 MET A O \n1959 C CB . MET A 255 ? 0.3529 0.3795 0.4500 0.0009 -0.0158 -0.0052 947 MET A CB \n1960 C CG . MET A 255 ? 0.4305 0.4561 0.5225 0.0002 -0.0111 -0.0042 947 MET A CG \n1961 S SD . MET A 255 ? 0.4945 0.5092 0.5749 -0.0007 -0.0128 -0.0029 947 MET A SD \n1962 C CE . MET A 255 ? 0.4628 0.4691 0.5341 -0.0018 -0.0106 -0.0014 947 MET A CE \n1963 N N . VAL A 256 ? 0.3054 0.3368 0.4157 0.0038 -0.0232 -0.0081 948 VAL A N \n1964 C CA . VAL A 256 ? 0.3051 0.3404 0.4234 0.0058 -0.0272 -0.0099 948 VAL A CA \n1965 C C . VAL A 256 ? 0.2706 0.3128 0.3961 0.0076 -0.0255 -0.0119 948 VAL A C \n1966 O O . VAL A 256 ? 0.2795 0.3292 0.4130 0.0091 -0.0254 -0.0137 948 VAL A O \n1967 C CB . VAL A 256 ? 0.3994 0.4260 0.5141 0.0061 -0.0333 -0.0095 948 VAL A CB \n1968 C CG1 . VAL A 256 ? 0.3537 0.3849 0.4780 0.0089 -0.0372 -0.0116 948 VAL A CG1 \n1969 C CG2 . VAL A 256 ? 0.3693 0.3897 0.4779 0.0045 -0.0357 -0.0078 948 VAL A CG2 \n1970 N N . LYS A 257 ? 0.2985 0.3381 0.4208 0.0072 -0.0240 -0.0116 949 LYS A N \n1971 C CA . LYS A 257 ? 0.2857 0.3302 0.4128 0.0086 -0.0223 -0.0132 949 LYS A CA \n1972 C C . LYS A 257 ? 0.2561 0.3089 0.3874 0.0085 -0.0179 -0.0140 949 LYS A C \n1973 O O . LYS A 257 ? 0.2417 0.2999 0.3785 0.0102 -0.0172 -0.0160 949 LYS A O \n1974 C CB . LYS A 257 ? 0.3346 0.3740 0.4567 0.0074 -0.0217 -0.0121 949 LYS A CB \n1975 C CG . LYS A 257 ? 0.5919 0.6226 0.7095 0.0075 -0.0263 -0.0116 949 LYS A CG \n1976 C CD . LYS A 257 ? 0.6076 0.6343 0.7210 0.0057 -0.0255 -0.0104 949 LYS A CD \n1977 C CE . LYS A 257 ? 1.0073 1.0237 1.1137 0.0046 -0.0296 -0.0091 949 LYS A CE \n1978 N NZ . LYS A 257 ? 1.1220 1.1348 1.2242 0.0021 -0.0284 -0.0074 949 LYS A NZ \n1979 N N . CYS A 258 ? 0.2615 0.3145 0.3894 0.0066 -0.0151 -0.0124 950 CYS A N \n1980 C CA . CYS A 258 ? 0.1891 0.2487 0.3199 0.0062 -0.0115 -0.0129 950 CYS A CA \n1981 C C . CYS A 258 ? 0.2333 0.2987 0.3699 0.0070 -0.0121 -0.0143 950 CYS A C \n1982 O O . CYS A 258 ? 0.2581 0.3292 0.3977 0.0068 -0.0095 -0.0151 950 CYS A O \n1983 C CB . CYS A 258 ? 0.1817 0.2394 0.3076 0.0044 -0.0092 -0.0110 950 CYS A CB \n1984 S SG . CYS A 258 ? 0.2879 0.3421 0.4095 0.0033 -0.0067 -0.0094 950 CYS A SG \n1985 N N . TRP A 259 ? 0.2685 0.3323 0.4065 0.0076 -0.0156 -0.0143 951 TRP A N \n1986 C CA . TRP A 259 ? 0.2500 0.3201 0.3947 0.0080 -0.0163 -0.0154 951 TRP A CA \n1987 C C . TRP A 259 ? 0.2550 0.3290 0.4074 0.0106 -0.0185 -0.0176 951 TRP A C \n1988 O O . TRP A 259 ? 0.2780 0.3568 0.4371 0.0111 -0.0200 -0.0183 951 TRP A O \n1989 C CB . TRP A 259 ? 0.3021 0.3690 0.4443 0.0064 -0.0189 -0.0137 951 TRP A CB \n1990 C CG . TRP A 259 ? 0.2727 0.3348 0.4067 0.0043 -0.0170 -0.0117 951 TRP A CG \n1991 C CD1 . TRP A 259 ? 0.2509 0.3154 0.3830 0.0034 -0.0129 -0.0114 951 TRP A CD1 \n1992 C CD2 . TRP A 259 ? 0.2855 0.3392 0.4118 0.0032 -0.0192 -0.0099 951 TRP A CD2 \n1993 N NE1 . TRP A 259 ? 0.2531 0.3118 0.3778 0.0021 -0.0125 -0.0097 951 TRP A NE1 \n1994 C CE2 . TRP A 259 ? 0.3042 0.3560 0.4247 0.0019 -0.0160 -0.0088 951 TRP A CE2 \n1995 C CE3 . TRP A 259 ? 0.2200 0.2668 0.3433 0.0032 -0.0239 -0.0092 951 TRP A CE3 \n1996 C CZ2 . TRP A 259 ? 0.3191 0.3625 0.4305 0.0009 -0.0166 -0.0072 951 TRP A CZ2 \n1997 C CZ3 . TRP A 259 ? 0.2888 0.3267 0.4024 0.0018 -0.0248 -0.0074 951 TRP A CZ3 \n1998 C CH2 . TRP A 259 ? 0.2702 0.3065 0.3777 0.0008 -0.0208 -0.0065 951 TRP A CH2 \n1999 N N . MET A 260 ? 0.2803 0.3524 0.4324 0.0124 -0.0186 -0.0188 952 MET A N \n2000 C CA . MET A 260 ? 0.3206 0.3962 0.4796 0.0156 -0.0199 -0.0215 952 MET A CA \n2001 C C . MET A 260 ? 0.3135 0.3985 0.4790 0.0163 -0.0160 -0.0234 952 MET A C \n2002 O O . MET A 260 ? 0.2052 0.2924 0.3682 0.0147 -0.0120 -0.0232 952 MET A O \n2003 C CB . MET A 260 ? 0.3027 0.3728 0.4581 0.0171 -0.0209 -0.0222 952 MET A CB \n2004 C CG . MET A 260 ? 0.3817 0.4426 0.5316 0.0166 -0.0254 -0.0206 952 MET A CG \n2005 S SD . MET A 260 ? 0.5691 0.6234 0.7152 0.0182 -0.0273 -0.0215 952 MET A SD \n2006 C CE . MET A 260 ? 0.5642 0.6158 0.7029 0.0147 -0.0235 -0.0192 952 MET A CE \n2007 N N . ILE A 261 ? 0.2444 0.3353 0.4187 0.0186 -0.0171 -0.0253 953 ILE A N \n2008 C CA . ILE A 261 ? 0.2464 0.3464 0.4268 0.0192 -0.0127 -0.0273 953 ILE A CA \n2009 C C . ILE A 261 ? 0.2375 0.3371 0.4148 0.0204 -0.0091 -0.0291 953 ILE A C \n2010 O O . ILE A 261 ? 0.2538 0.3575 0.4301 0.0190 -0.0046 -0.0296 953 ILE A O \n2011 C CB . ILE A 261 ? 0.2516 0.3585 0.4435 0.0220 -0.0145 -0.0293 953 ILE A CB \n2012 C CG1 . ILE A 261 ? 0.4279 0.5360 0.6233 0.0200 -0.0180 -0.0271 953 ILE A CG1 \n2013 C CG2 . ILE A 261 ? 0.3298 0.4464 0.5282 0.0231 -0.0092 -0.0317 953 ILE A CG2 \n2014 C CD1 . ILE A 261 ? 0.4645 0.5735 0.6556 0.0155 -0.0158 -0.0247 953 ILE A CD1 \n2015 N N . ASP A 262 ? 0.2799 0.3733 0.4543 0.0228 -0.0116 -0.0301 954 ASP A N \n2016 C CA . ASP A 262 ? 0.2390 0.3298 0.4090 0.0239 -0.0094 -0.0316 954 ASP A CA \n2017 C C . ASP A 262 ? 0.2746 0.3605 0.4362 0.0205 -0.0083 -0.0292 954 ASP A C \n2018 O O . ASP A 262 ? 0.2880 0.3672 0.4450 0.0196 -0.0111 -0.0274 954 ASP A O \n2019 C CB . ASP A 262 ? 0.2858 0.3706 0.4551 0.0273 -0.0132 -0.0332 954 ASP A CB \n2020 C CG . ASP A 262 ? 0.4764 0.5571 0.6404 0.0284 -0.0118 -0.0348 954 ASP A CG \n2021 O OD1 . ASP A 262 ? 0.4484 0.5227 0.6102 0.0308 -0.0153 -0.0358 954 ASP A OD1 \n2022 O OD2 . ASP A 262 ? 0.5374 0.6203 0.6986 0.0268 -0.0077 -0.0349 954 ASP A OD2 \n2023 N N . ALA A 263 ? 0.2199 0.3094 0.3801 0.0186 -0.0042 -0.0291 955 ALA A N \n2024 C CA . ALA A 263 ? 0.2677 0.3534 0.4211 0.0155 -0.0033 -0.0268 955 ALA A CA \n2025 C C . ALA A 263 ? 0.2579 0.3369 0.4063 0.0158 -0.0049 -0.0266 955 ALA A C \n2026 O O . ALA A 263 ? 0.2919 0.3671 0.4362 0.0136 -0.0056 -0.0242 955 ALA A O \n2027 C CB . ALA A 263 ? 0.2795 0.3694 0.4320 0.0137 0.0007 -0.0271 955 ALA A CB \n2028 N N . ASP A 264 ? 0.2626 0.3402 0.4112 0.0185 -0.0052 -0.0292 956 ASP A N \n2029 C CA . ASP A 264 ? 0.3762 0.4467 0.5199 0.0189 -0.0074 -0.0292 956 ASP A CA \n2030 C C . ASP A 264 ? 0.4501 0.5148 0.5924 0.0187 -0.0116 -0.0275 956 ASP A C \n2031 O O . ASP A 264 ? 0.4075 0.4664 0.5452 0.0174 -0.0134 -0.0261 956 ASP A O \n2032 C CB . ASP A 264 ? 0.3350 0.4043 0.4784 0.0223 -0.0071 -0.0326 956 ASP A CB \n2033 C CG . ASP A 264 ? 0.3851 0.4571 0.5264 0.0217 -0.0030 -0.0340 956 ASP A CG \n2034 O OD1 . ASP A 264 ? 0.3800 0.4508 0.5174 0.0186 -0.0021 -0.0321 956 ASP A OD1 \n2035 O OD2 . ASP A 264 ? 0.3627 0.4378 0.5062 0.0245 -0.0007 -0.0371 956 ASP A OD2 \n2036 N N . SER A 265 ? 0.2736 0.3397 0.4196 0.0198 -0.0134 -0.0274 957 SER A N \n2037 C CA . SER A 265 ? 0.3603 0.4200 0.5038 0.0193 -0.0175 -0.0256 957 SER A CA \n2038 C C . SER A 265 ? 0.3157 0.3738 0.4558 0.0157 -0.0170 -0.0223 957 SER A C \n2039 O O . SER A 265 ? 0.3095 0.3614 0.4457 0.0146 -0.0197 -0.0205 957 SER A O \n2040 C CB . SER A 265 ? 0.4242 0.4844 0.5724 0.0222 -0.0206 -0.0271 957 SER A CB \n2041 O OG . SER A 265 ? 0.5549 0.6137 0.7048 0.0260 -0.0221 -0.0302 957 SER A OG \n2042 N N . ARG A 266 ? 0.2434 0.3067 0.3846 0.0140 -0.0135 -0.0214 958 ARG A N \n2043 C CA . ARG A 266 ? 0.2160 0.2783 0.3543 0.0113 -0.0126 -0.0187 958 ARG A CA \n2044 C C . ARG A 266 ? 0.2676 0.3259 0.4016 0.0094 -0.0122 -0.0170 958 ARG A C \n2045 O O . ARG A 266 ? 0.3145 0.3727 0.4485 0.0098 -0.0120 -0.0180 958 ARG A O \n2046 C CB . ARG A 266 ? 0.2130 0.2811 0.3528 0.0101 -0.0092 -0.0185 958 ARG A CB \n2047 C CG . ARG A 266 ? 0.2621 0.3349 0.4066 0.0111 -0.0094 -0.0196 958 ARG A CG \n2048 C CD . ARG A 266 ? 0.1952 0.2733 0.3407 0.0096 -0.0062 -0.0194 958 ARG A CD \n2049 N NE . ARG A 266 ? 0.2241 0.3079 0.3757 0.0107 -0.0063 -0.0210 958 ARG A NE \n2050 C CZ . ARG A 266 ? 0.2250 0.3146 0.3791 0.0100 -0.0034 -0.0218 958 ARG A CZ \n2051 N NH1 . ARG A 266 ? 0.2396 0.3349 0.4001 0.0109 -0.0033 -0.0232 958 ARG A NH1 \n2052 N NH2 . ARG A 266 ? 0.2306 0.3203 0.3809 0.0082 -0.0007 -0.0212 958 ARG A NH2 \n2053 N N . PRO A 267 ? 0.2599 0.3150 0.3904 0.0072 -0.0119 -0.0144 959 PRO A N \n2054 C CA . PRO A 267 ? 0.3095 0.3622 0.4373 0.0050 -0.0110 -0.0125 959 PRO A CA \n2055 C C . PRO A 267 ? 0.3162 0.3736 0.4461 0.0044 -0.0083 -0.0126 959 PRO A C \n2056 O O . PRO A 267 ? 0.3135 0.3754 0.4453 0.0050 -0.0065 -0.0135 959 PRO A O \n2057 C CB . PRO A 267 ? 0.2857 0.3361 0.4101 0.0032 -0.0098 -0.0101 959 PRO A CB \n2058 C CG . PRO A 267 ? 0.3652 0.4136 0.4887 0.0044 -0.0119 -0.0108 959 PRO A CG \n2059 C CD . PRO A 267 ? 0.2628 0.3169 0.3916 0.0065 -0.0120 -0.0132 959 PRO A CD \n2060 N N . LYS A 268 ? 0.3090 0.3651 0.4384 0.0029 -0.0083 -0.0114 960 LYS A N \n2061 C CA . LYS A 268 ? 0.3243 0.3840 0.4554 0.0019 -0.0063 -0.0110 960 LYS A CA \n2062 C C . LYS A 268 ? 0.3373 0.3984 0.4687 0.0001 -0.0040 -0.0085 960 LYS A C \n2063 O O . LYS A 268 ? 0.2986 0.3569 0.4281 -0.0009 -0.0039 -0.0069 960 LYS A O \n2064 C CB . LYS A 268 ? 0.3460 0.4037 0.4770 0.0013 -0.0082 -0.0112 960 LYS A CB \n2065 C CG . LYS A 268 ? 0.3999 0.4549 0.5296 0.0035 -0.0104 -0.0138 960 LYS A CG \n2066 C CD . LYS A 268 ? 0.4113 0.4702 0.5422 0.0052 -0.0087 -0.0162 960 LYS A CD \n2067 C CE . LYS A 268 ? 0.5469 0.6043 0.6777 0.0081 -0.0101 -0.0190 960 LYS A CE \n2068 N NZ . LYS A 268 ? 0.6675 0.7196 0.7954 0.0087 -0.0127 -0.0200 960 LYS A NZ \n2069 N N . PHE A 269 ? 0.2494 0.3142 0.3827 -0.0001 -0.0022 -0.0083 961 PHE A N \n2070 C CA . PHE A 269 ? 0.2747 0.3411 0.4089 -0.0010 0.0001 -0.0063 961 PHE A CA \n2071 C C . PHE A 269 ? 0.2178 0.2830 0.3531 -0.0030 0.0000 -0.0042 961 PHE A C \n2072 O O . PHE A 269 ? 0.2735 0.3384 0.4082 -0.0038 0.0020 -0.0026 961 PHE A O \n2073 C CB . PHE A 269 ? 0.3546 0.4246 0.4908 -0.0008 0.0013 -0.0065 961 PHE A CB \n2074 C CG . PHE A 269 ? 0.2468 0.3177 0.3813 0.0003 0.0022 -0.0077 961 PHE A CG \n2075 C CD1 . PHE A 269 ? 0.2357 0.3056 0.3680 0.0006 0.0035 -0.0072 961 PHE A CD1 \n2076 C CD2 . PHE A 269 ? 0.2366 0.3090 0.3711 0.0006 0.0016 -0.0093 961 PHE A CD2 \n2077 C CE1 . PHE A 269 ? 0.2628 0.3330 0.3934 0.0013 0.0037 -0.0081 961 PHE A CE1 \n2078 C CE2 . PHE A 269 ? 0.2751 0.3487 0.4084 0.0011 0.0024 -0.0101 961 PHE A CE2 \n2079 C CZ . PHE A 269 ? 0.2538 0.3264 0.3854 0.0014 0.0032 -0.0095 961 PHE A CZ \n2080 N N . ARG A 270 ? 0.2391 0.3031 0.3755 -0.0038 -0.0024 -0.0043 962 ARG A N \n2081 C CA . ARG A 270 ? 0.3437 0.4070 0.4819 -0.0063 -0.0029 -0.0020 962 ARG A CA \n2082 C C . ARG A 270 ? 0.3871 0.4461 0.5214 -0.0071 -0.0030 -0.0010 962 ARG A C \n2083 O O . ARG A 270 ? 0.3710 0.4300 0.5056 -0.0092 -0.0011 0.0012 962 ARG A O \n2084 C CB . ARG A 270 ? 0.3955 0.4569 0.5343 -0.0072 -0.0064 -0.0023 962 ARG A CB \n2085 C CG . ARG A 270 ? 0.5484 0.6044 0.6829 -0.0060 -0.0095 -0.0042 962 ARG A CG \n2086 C CD . ARG A 270 ? 0.8560 0.9103 0.9896 -0.0052 -0.0120 -0.0061 962 ARG A CD \n2087 N NE . ARG A 270 ? 0.7125 0.7695 0.8458 -0.0029 -0.0105 -0.0084 962 ARG A NE \n2088 C CZ . ARG A 270 ? 0.7541 0.8091 0.8848 -0.0013 -0.0117 -0.0109 962 ARG A CZ \n2089 N NH1 . ARG A 270 ? 0.9286 0.9782 1.0565 -0.0012 -0.0148 -0.0117 962 ARG A NH1 \n2090 N NH2 . ARG A 270 ? 0.6233 0.6812 0.7538 0.0000 -0.0097 -0.0127 962 ARG A NH2 \n2091 N N . GLU A 271 ? 0.3289 0.3840 0.4593 -0.0055 -0.0050 -0.0029 963 GLU A N \n2092 C CA . GLU A 271 ? 0.3474 0.3970 0.4731 -0.0060 -0.0060 -0.0023 963 GLU A CA \n2093 C C . GLU A 271 ? 0.3406 0.3903 0.4640 -0.0062 -0.0028 -0.0012 963 GLU A C \n2094 O O . GLU A 271 ? 0.3190 0.3645 0.4385 -0.0079 -0.0024 0.0004 963 GLU A O \n2095 C CB . GLU A 271 ? 0.4203 0.4665 0.5439 -0.0036 -0.0094 -0.0048 963 GLU A CB \n2096 C CG . GLU A 271 ? 0.4469 0.4906 0.5707 -0.0033 -0.0128 -0.0059 963 GLU A CG \n2097 C CD . GLU A 271 ? 0.7105 0.7524 0.8336 0.0000 -0.0152 -0.0090 963 GLU A CD \n2098 O OE1 . GLU A 271 ? 0.6586 0.6971 0.7806 0.0006 -0.0181 -0.0102 963 GLU A OE1 \n2099 O OE2 . GLU A 271 ? 0.4681 0.5120 0.5919 0.0017 -0.0144 -0.0102 963 GLU A OE2 \n2100 N N . LEU A 272 ? 0.2611 0.3145 0.3858 -0.0044 -0.0008 -0.0023 964 LEU A N \n2101 C CA . LEU A 272 ? 0.2754 0.3278 0.3969 -0.0042 0.0017 -0.0016 964 LEU A CA \n2102 C C . LEU A 272 ? 0.2718 0.3264 0.3945 -0.0058 0.0057 0.0005 964 LEU A C \n2103 O O . LEU A 272 ? 0.3063 0.3577 0.4245 -0.0067 0.0079 0.0017 964 LEU A O \n2104 C CB . LEU A 272 ? 0.2685 0.3240 0.3911 -0.0021 0.0022 -0.0033 964 LEU A CB \n2105 C CG . LEU A 272 ? 0.3034 0.3578 0.4255 -0.0005 -0.0008 -0.0053 964 LEU A CG \n2106 C CD1 . LEU A 272 ? 0.3016 0.3607 0.4264 0.0006 0.0000 -0.0067 964 LEU A CD1 \n2107 C CD2 . LEU A 272 ? 0.2926 0.3414 0.4095 -0.0005 -0.0021 -0.0050 964 LEU A CD2 \n2108 N N . ILE A 273 ? 0.2961 0.3559 0.4248 -0.0063 0.0064 0.0009 965 ILE A N \n2109 C CA . ILE A 273 ? 0.2701 0.3332 0.4021 -0.0078 0.0100 0.0030 965 ILE A CA \n2110 C C . ILE A 273 ? 0.3250 0.3842 0.4538 -0.0106 0.0104 0.0051 965 ILE A C \n2111 O O . ILE A 273 ? 0.3911 0.4495 0.5175 -0.0116 0.0142 0.0065 965 ILE A O \n2112 C CB . ILE A 273 ? 0.2521 0.3210 0.3919 -0.0082 0.0093 0.0034 965 ILE A CB \n2113 C CG1 . ILE A 273 ? 0.2574 0.3297 0.3996 -0.0058 0.0092 0.0017 965 ILE A CG1 \n2114 C CG2 . ILE A 273 ? 0.2484 0.3215 0.3932 -0.0100 0.0128 0.0058 965 ILE A CG2 \n2115 C CD1 . ILE A 273 ? 0.3097 0.3854 0.4576 -0.0062 0.0069 0.0017 965 ILE A CD1 \n2116 N N . ILE A 274 ? 0.3145 0.3705 0.4426 -0.0120 0.0064 0.0051 966 ILE A N \n2117 C CA . ILE A 274 ? 0.3621 0.4132 0.4865 -0.0152 0.0060 0.0072 966 ILE A CA \n2118 C C . ILE A 274 ? 0.4114 0.4557 0.5270 -0.0153 0.0067 0.0074 966 ILE A C \n2119 O O . ILE A 274 ? 0.3448 0.3869 0.4570 -0.0177 0.0098 0.0094 966 ILE A O \n2120 C CB . ILE A 274 ? 0.4227 0.4703 0.5470 -0.0164 0.0007 0.0070 966 ILE A CB \n2121 C CG1 . ILE A 274 ? 0.3830 0.4364 0.5150 -0.0171 0.0000 0.0074 966 ILE A CG1 \n2122 C CG2 . ILE A 274 ? 0.4307 0.4716 0.5495 -0.0198 -0.0004 0.0091 966 ILE A CG2 \n2123 C CD1 . ILE A 274 ? 0.4417 0.4913 0.5731 -0.0174 -0.0053 0.0066 966 ILE A CD1 \n2124 N N . GLU A 275 ? 0.3273 0.3680 0.4393 -0.0128 0.0039 0.0052 967 GLU A N \n2125 C CA . GLU A 275 ? 0.3401 0.3732 0.4434 -0.0129 0.0034 0.0053 967 GLU A CA \n2126 C C . GLU A 275 ? 0.3016 0.3348 0.4016 -0.0127 0.0083 0.0061 967 GLU A C \n2127 O O . GLU A 275 ? 0.3567 0.3836 0.4491 -0.0147 0.0099 0.0076 967 GLU A O \n2128 C CB . GLU A 275 ? 0.3336 0.3639 0.4355 -0.0101 -0.0010 0.0029 967 GLU A CB \n2129 C CG . GLU A 275 ? 0.4927 0.5139 0.5857 -0.0106 -0.0032 0.0033 967 GLU A CG \n2130 C CD . GLU A 275 ? 0.8241 0.8413 0.9166 -0.0087 -0.0092 0.0014 967 GLU A CD \n2131 O OE1 . GLU A 275 ? 0.8806 0.9030 0.9795 -0.0065 -0.0108 -0.0005 967 GLU A OE1 \n2132 O OE2 . GLU A 275 ? 0.8694 0.8780 0.9547 -0.0094 -0.0123 0.0019 967 GLU A OE2 \n2133 N N . PHE A 276 ? 0.2700 0.3091 0.3742 -0.0104 0.0107 0.0050 968 PHE A N \n2134 C CA . PHE A 276 ? 0.2664 0.3049 0.3669 -0.0099 0.0153 0.0054 968 PHE A CA \n2135 C C . PHE A 276 ? 0.3036 0.3451 0.4061 -0.0119 0.0205 0.0075 968 PHE A C \n2136 O O . PHE A 276 ? 0.3829 0.4212 0.4795 -0.0122 0.0247 0.0084 968 PHE A O \n2137 C CB . PHE A 276 ? 0.3189 0.3618 0.4227 -0.0069 0.0161 0.0037 968 PHE A CB \n2138 C CG . PHE A 276 ? 0.2844 0.3229 0.3836 -0.0053 0.0126 0.0021 968 PHE A CG \n2139 C CD1 . PHE A 276 ? 0.3144 0.3456 0.4045 -0.0052 0.0132 0.0024 968 PHE A CD1 \n2140 C CD2 . PHE A 276 ? 0.3501 0.3917 0.4540 -0.0040 0.0088 0.0005 968 PHE A CD2 \n2141 C CE1 . PHE A 276 ? 0.4421 0.4694 0.5288 -0.0040 0.0093 0.0012 968 PHE A CE1 \n2142 C CE2 . PHE A 276 ? 0.3153 0.3538 0.4162 -0.0027 0.0056 -0.0007 968 PHE A CE2 \n2143 C CZ . PHE A 276 ? 0.3174 0.3490 0.4103 -0.0029 0.0056 -0.0003 968 PHE A CZ \n2144 N N . SER A 277 ? 0.3381 0.3857 0.4488 -0.0133 0.0203 0.0084 969 SER A N \n2145 C CA . SER A 277 ? 0.3733 0.4250 0.4876 -0.0157 0.0253 0.0108 969 SER A CA \n2146 C C . SER A 277 ? 0.3697 0.4144 0.4761 -0.0193 0.0264 0.0128 969 SER A C \n2147 O O . SER A 277 ? 0.3915 0.4365 0.4957 -0.0207 0.0321 0.0143 969 SER A O \n2148 C CB . SER A 277 ? 0.3443 0.4040 0.4698 -0.0168 0.0241 0.0116 969 SER A CB \n2149 O OG . SER A 277 ? 0.3519 0.4183 0.4845 -0.0138 0.0245 0.0102 969 SER A OG \n2150 N N . LYS A 278 ? 0.3604 0.3985 0.4622 -0.0208 0.0210 0.0129 970 LYS A N \n2151 C CA . LYS A 278 ? 0.4328 0.4619 0.5250 -0.0243 0.0206 0.0147 970 LYS A CA \n2152 C C . LYS A 278 ? 0.4602 0.4818 0.5413 -0.0236 0.0232 0.0144 970 LYS A C \n2153 O O . LYS A 278 ? 0.4030 0.4199 0.4771 -0.0265 0.0271 0.0164 970 LYS A O \n2154 C CB . LYS A 278 ? 0.5288 0.5517 0.6183 -0.0249 0.0133 0.0142 970 LYS A CB \n2155 C CG . LYS A 278 ? 0.6577 0.6711 0.7380 -0.0291 0.0118 0.0164 970 LYS A CG \n2156 C CD . LYS A 278 ? 0.8192 0.8235 0.8934 -0.0279 0.0044 0.0149 970 LYS A CD \n2157 C CE . LYS A 278 ? 0.7525 0.7510 0.8192 -0.0254 0.0040 0.0135 970 LYS A CE \n2158 N NZ . LYS A 278 ? 0.7039 0.7009 0.7722 -0.0218 -0.0022 0.0108 970 LYS A NZ \n2159 N N . MET A 279 ? 0.4010 0.4209 0.4801 -0.0200 0.0210 0.0121 971 MET A N \n2160 C CA . MET A 279 ? 0.4611 0.4732 0.5295 -0.0192 0.0227 0.0118 971 MET A CA \n2161 C C . MET A 279 ? 0.4331 0.4487 0.5012 -0.0187 0.0306 0.0124 971 MET A C \n2162 O O . MET A 279 ? 0.4468 0.4550 0.5043 -0.0200 0.0340 0.0133 971 MET A O \n2163 C CB . MET A 279 ? 0.3866 0.3970 0.4543 -0.0157 0.0181 0.0094 971 MET A CB \n2164 C CG . MET A 279 ? 0.4532 0.4578 0.5187 -0.0160 0.0108 0.0088 971 MET A CG \n2165 S SD . MET A 279 ? 0.5161 0.5209 0.5833 -0.0121 0.0059 0.0061 971 MET A SD \n2166 C CE . MET A 279 ? 0.4972 0.4971 0.5644 -0.0125 -0.0017 0.0055 971 MET A CE \n2167 N N . ALA A 280 ? 0.4161 0.4424 0.4952 -0.0166 0.0333 0.0117 972 ALA A N \n2168 C CA . ALA A 280 ? 0.4731 0.5039 0.5538 -0.0154 0.0406 0.0119 972 ALA A CA \n2169 C C . ALA A 280 ? 0.4662 0.4976 0.5458 -0.0190 0.0464 0.0145 972 ALA A C \n2170 O O . ALA A 280 ? 0.4924 0.5257 0.5709 -0.0182 0.0534 0.0147 972 ALA A O \n2171 C CB . ALA A 280 ? 0.4188 0.4609 0.5125 -0.0126 0.0413 0.0108 972 ALA A CB \n2172 N N . ARG A 281 ? 0.4550 0.4845 0.5346 -0.0229 0.0436 0.0163 973 ARG A N \n2173 C CA . ARG A 281 ? 0.5361 0.5657 0.6142 -0.0274 0.0485 0.0191 973 ARG A CA \n2174 C C . ARG A 281 ? 0.5684 0.5852 0.6300 -0.0296 0.0505 0.0200 973 ARG A C \n2175 O O . ARG A 281 ? 0.5683 0.5844 0.6262 -0.0328 0.0567 0.0220 973 ARG A O \n2176 C CB . ARG A 281 ? 0.5834 0.6152 0.6674 -0.0312 0.0442 0.0209 973 ARG A CB \n2177 C CG . ARG A 281 ? 0.7494 0.7946 0.8497 -0.0308 0.0451 0.0213 973 ARG A CG \n2178 C CD . ARG A 281 ? 0.8217 0.8681 0.9263 -0.0355 0.0419 0.0237 973 ARG A CD \n2179 N NE . ARG A 281 ? 0.8985 0.9407 1.0025 -0.0348 0.0333 0.0225 973 ARG A NE \n2180 C CZ . ARG A 281 ? 0.8865 0.9347 0.9996 -0.0320 0.0296 0.0208 973 ARG A CZ \n2181 N NH1 . ARG A 281 ? 0.7091 0.7675 0.8326 -0.0297 0.0329 0.0203 973 ARG A NH1 \n2182 N NH2 . ARG A 281 ? 0.7409 0.7844 0.8522 -0.0313 0.0225 0.0195 973 ARG A NH2 \n2183 N N . ASP A 282 ? 0.5413 0.5479 0.5928 -0.0281 0.0451 0.0185 974 ASP A N \n2184 C CA . ASP A 282 ? 0.4986 0.4912 0.5331 -0.0300 0.0455 0.0192 974 ASP A CA \n2185 C C . ASP A 282 ? 0.5427 0.5289 0.5706 -0.0260 0.0421 0.0167 974 ASP A C \n2186 O O . ASP A 282 ? 0.5649 0.5421 0.5858 -0.0262 0.0351 0.0163 974 ASP A O \n2187 C CB . ASP A 282 ? 0.6211 0.6053 0.6496 -0.0342 0.0396 0.0209 974 ASP A CB \n2188 C CG . ASP A 282 ? 0.6479 0.6162 0.6579 -0.0369 0.0392 0.0220 974 ASP A CG \n2189 O OD1 . ASP A 282 ? 0.6299 0.5939 0.6311 -0.0363 0.0451 0.0219 974 ASP A OD1 \n2190 O OD2 . ASP A 282 ? 0.7711 0.7303 0.7746 -0.0396 0.0327 0.0229 974 ASP A OD2 \n2191 N N . PRO A 283 ? 0.5975 0.5884 0.6279 -0.0223 0.0467 0.0152 975 PRO A N \n2192 C CA . PRO A 283 ? 0.4872 0.4746 0.5147 -0.0184 0.0426 0.0129 975 PRO A CA \n2193 C C . PRO A 283 ? 0.6284 0.6002 0.6390 -0.0192 0.0392 0.0128 975 PRO A C \n2194 O O . PRO A 283 ? 0.4577 0.4254 0.4667 -0.0175 0.0326 0.0115 975 PRO A O \n2195 C CB . PRO A 283 ? 0.5322 0.5263 0.5638 -0.0150 0.0493 0.0117 975 PRO A CB \n2196 C CG . PRO A 283 ? 0.5060 0.5031 0.5377 -0.0171 0.0577 0.0134 975 PRO A CG \n2197 C CD . PRO A 283 ? 0.4665 0.4661 0.5028 -0.0215 0.0557 0.0156 975 PRO A CD \n2198 N N . GLN A 284 ? 0.6003 0.5630 0.5983 -0.0221 0.0436 0.0144 976 GLN A N \n2199 C CA . GLN A 284 ? 0.5899 0.5363 0.5701 -0.0230 0.0407 0.0146 976 GLN A CA \n2200 C C . GLN A 284 ? 0.5987 0.5365 0.5742 -0.0256 0.0319 0.0154 976 GLN A C \n2201 O O . GLN A 284 ? 0.6224 0.5475 0.5858 -0.0257 0.0267 0.0152 976 GLN A O \n2202 C CB . GLN A 284 ? 0.6607 0.5995 0.6275 -0.0250 0.0490 0.0158 976 GLN A CB \n2203 C CG . GLN A 284 ? 0.7380 0.6836 0.7084 -0.0212 0.0570 0.0143 976 GLN A CG \n2204 C CD . GLN A 284 ? 0.8428 0.7826 0.8014 -0.0227 0.0666 0.0152 976 GLN A CD \n2205 O OE1 . GLN A 284 ? 0.9329 0.8835 0.9002 -0.0221 0.0749 0.0154 976 GLN A OE1 \n2206 N NE2 . GLN A 284 ? 0.6856 0.6084 0.6245 -0.0247 0.0655 0.0158 976 GLN A NE2 \n2207 N N . ARG A 285 ? 0.5647 0.5092 0.5499 -0.0275 0.0297 0.0163 977 ARG A N \n2208 C CA . ARG A 285 ? 0.6036 0.5423 0.5879 -0.0287 0.0204 0.0165 977 ARG A CA \n2209 C C . ARG A 285 ? 0.5732 0.5154 0.5651 -0.0247 0.0135 0.0141 977 ARG A C \n2210 O O . ARG A 285 ? 0.5693 0.5034 0.5568 -0.0247 0.0057 0.0138 977 ARG A O \n2211 C CB . ARG A 285 ? 0.5937 0.5391 0.5870 -0.0313 0.0199 0.0178 977 ARG A CB \n2212 C CG . ARG A 285 ? 0.6103 0.5465 0.5990 -0.0332 0.0111 0.0184 977 ARG A CG \n2213 C CD . ARG A 285 ? 0.7132 0.6555 0.7108 -0.0354 0.0098 0.0195 977 ARG A CD \n2214 N NE . ARG A 285 ? 0.7481 0.6854 0.7465 -0.0345 0.0001 0.0186 977 ARG A NE \n2215 C CZ . ARG A 285 ? 0.8402 0.7802 0.8451 -0.0354 -0.0037 0.0188 977 ARG A CZ \n2216 N NH1 . ARG A 285 ? 0.7654 0.7001 0.7704 -0.0338 -0.0123 0.0176 977 ARG A NH1 \n2217 N NH2 . ARG A 285 ? 0.6082 0.5561 0.6199 -0.0378 0.0007 0.0203 977 ARG A NH2 \n2218 N N . TYR A 286 ? 0.5958 0.5499 0.5992 -0.0214 0.0163 0.0125 978 TYR A N \n2219 C CA . TYR A 286 ? 0.5018 0.4615 0.5146 -0.0182 0.0104 0.0105 978 TYR A CA \n2220 C C . TYR A 286 ? 0.5153 0.4728 0.5249 -0.0154 0.0096 0.0090 978 TYR A C \n2221 O O . TYR A 286 ? 0.4182 0.3756 0.4310 -0.0137 0.0032 0.0078 978 TYR A O \n2222 C CB . TYR A 286 ? 0.4485 0.4229 0.4772 -0.0169 0.0121 0.0098 978 TYR A CB \n2223 C CG . TYR A 286 ? 0.4906 0.4660 0.5225 -0.0196 0.0107 0.0111 978 TYR A CG \n2224 C CD1 . TYR A 286 ? 0.5238 0.5031 0.5574 -0.0222 0.0167 0.0129 978 TYR A CD1 \n2225 C CD2 . TYR A 286 ? 0.4921 0.4644 0.5255 -0.0196 0.0032 0.0106 978 TYR A CD2 \n2226 C CE1 . TYR A 286 ? 0.5139 0.4935 0.5500 -0.0252 0.0149 0.0144 978 TYR A CE1 \n2227 C CE2 . TYR A 286 ? 0.5520 0.5238 0.5871 -0.0221 0.0014 0.0118 978 TYR A CE2 \n2228 C CZ . TYR A 286 ? 0.5952 0.5704 0.6313 -0.0251 0.0071 0.0138 978 TYR A CZ \n2229 O OH . TYR A 286 ? 0.5514 0.5257 0.5891 -0.0280 0.0049 0.0152 978 TYR A OH \n2230 N N . LEU A 287 ? 0.4198 0.3756 0.4232 -0.0149 0.0160 0.0092 979 LEU A N \n2231 C CA . LEU A 287 ? 0.4245 0.3752 0.4216 -0.0127 0.0152 0.0080 979 LEU A CA \n2232 C C . LEU A 287 ? 0.5012 0.4372 0.4802 -0.0143 0.0175 0.0091 979 LEU A C \n2233 O O . LEU A 287 ? 0.5495 0.4840 0.5232 -0.0160 0.0244 0.0102 979 LEU A O \n2234 C CB . LEU A 287 ? 0.4276 0.3890 0.4336 -0.0097 0.0202 0.0067 979 LEU A CB \n2235 C CG . LEU A 287 ? 0.4809 0.4562 0.5036 -0.0081 0.0183 0.0057 979 LEU A CG \n2236 C CD1 . LEU A 287 ? 0.4358 0.4197 0.4653 -0.0054 0.0233 0.0046 979 LEU A CD1 \n2237 C CD2 . LEU A 287 ? 0.3826 0.3574 0.4085 -0.0073 0.0104 0.0046 979 LEU A CD2 \n2238 N N . VAL A 288 ? 0.4829 0.4079 0.4522 -0.0141 0.0118 0.0087 980 VAL A N \n2239 C CA . VAL A 288 ? 0.5664 0.4750 0.5164 -0.0157 0.0126 0.0096 980 VAL A CA \n2240 C C . VAL A 288 ? 0.5580 0.4633 0.5021 -0.0131 0.0148 0.0084 980 VAL A C \n2241 O O . VAL A 288 ? 0.5629 0.4653 0.5068 -0.0119 0.0085 0.0076 980 VAL A O \n2242 C CB . VAL A 288 ? 0.5781 0.4738 0.5191 -0.0178 0.0032 0.0105 980 VAL A CB \n2243 C CG1 . VAL A 288 ? 0.6715 0.5488 0.5908 -0.0201 0.0042 0.0116 980 VAL A CG1 \n2244 C CG2 . VAL A 288 ? 0.6096 0.5087 0.5575 -0.0199 0.0000 0.0114 980 VAL A CG2 \n2245 N N . ILE A 289 ? 0.5355 0.4412 0.4750 -0.0122 0.0238 0.0082 981 ILE A N \n2246 C CA . ILE A 289 ? 0.5792 0.4820 0.5131 -0.0091 0.0270 0.0068 981 ILE A CA \n2247 C C . ILE A 289 ? 0.7001 0.5883 0.6143 -0.0101 0.0326 0.0073 981 ILE A C \n2248 O O . ILE A 289 ? 0.6502 0.5404 0.5630 -0.0114 0.0401 0.0082 981 ILE A O \n2249 C CB . ILE A 289 ? 0.5966 0.5154 0.5455 -0.0060 0.0333 0.0056 981 ILE A CB \n2250 C CG1 . ILE A 289 ? 0.5456 0.4782 0.5129 -0.0052 0.0281 0.0050 981 ILE A CG1 \n2251 C CG2 . ILE A 289 ? 0.6158 0.5306 0.5580 -0.0026 0.0368 0.0040 981 ILE A CG2 \n2252 C CD1 . ILE A 289 ? 0.5854 0.5337 0.5680 -0.0030 0.0335 0.0043 981 ILE A CD1 \n2253 N N . GLN A 290 ? 0.7198 0.5931 0.6185 -0.0097 0.0289 0.0070 982 GLN A N \n2254 C CA . GLN A 290 ? 0.7420 0.5996 0.6198 -0.0105 0.0342 0.0072 982 GLN A CA \n2255 C C . GLN A 290 ? 0.7877 0.6519 0.6673 -0.0072 0.0454 0.0059 982 GLN A C \n2256 O O . GLN A 290 ? 0.8123 0.6839 0.7001 -0.0034 0.0462 0.0042 982 GLN A O \n2257 C CB . GLN A 290 ? 0.9432 0.7831 0.8042 -0.0105 0.0274 0.0070 982 GLN A CB \n2258 C CG . GLN A 290 ? 1.1835 1.0037 1.0199 -0.0123 0.0309 0.0076 982 GLN A CG \n2259 C CD . GLN A 290 ? 1.2915 1.0931 1.1102 -0.0122 0.0239 0.0073 982 GLN A CD \n2260 O OE1 . GLN A 290 ? 1.1338 0.9370 0.9556 -0.0093 0.0215 0.0060 982 GLN A OE1 \n2261 N NE2 . GLN A 290 ? 1.3825 1.1655 1.1819 -0.0157 0.0203 0.0088 982 GLN A NE2 \n2262 N N . GLY A 291 ? 0.8149 0.6765 0.6872 -0.0088 0.0540 0.0067 983 GLY A N \n2263 C CA . GLY A 291 ? 0.8277 0.6956 0.7017 -0.0056 0.0654 0.0054 983 GLY A CA \n2264 C C . GLY A 291 ? 0.8909 0.7805 0.7882 -0.0045 0.0698 0.0054 983 GLY A C \n2265 O O . GLY A 291 ? 0.8003 0.6982 0.7034 -0.0014 0.0785 0.0042 983 GLY A O \n2266 N N . ASP A 292 ? 0.8035 0.7017 0.7138 -0.0070 0.0636 0.0066 984 ASP A N \n2267 C CA . ASP A 292 ? 0.6897 0.6074 0.6220 -0.0063 0.0657 0.0067 984 ASP A CA \n2268 C C . ASP A 292 ? 0.7346 0.6609 0.6718 -0.0058 0.0771 0.0070 984 ASP A C \n2269 O O . ASP A 292 ? 0.7307 0.6703 0.6820 -0.0024 0.0811 0.0058 984 ASP A O \n2270 C CB . ASP A 292 ? 0.5678 0.4891 0.5076 -0.0101 0.0589 0.0085 984 ASP A CB \n2271 C CG . ASP A 292 ? 0.6828 0.6220 0.6445 -0.0089 0.0571 0.0081 984 ASP A CG \n2272 O OD1 . ASP A 292 ? 0.7331 0.6822 0.7048 -0.0052 0.0606 0.0067 984 ASP A OD1 \n2273 O OD2 . ASP A 292 ? 0.7093 0.6519 0.6777 -0.0115 0.0519 0.0093 984 ASP A OD2 \n2274 N N . GLU A 293 ? 0.8300 0.7487 0.7556 -0.0095 0.0821 0.0087 985 GLU A N \n2275 C CA . GLU A 293 ? 1.0027 0.9294 0.9324 -0.0099 0.0936 0.0093 985 GLU A CA \n2276 C C . GLU A 293 ? 0.9391 0.8676 0.8676 -0.0044 0.1018 0.0069 985 GLU A C \n2277 O O . GLU A 293 ? 0.9474 0.8905 0.8904 -0.0023 0.1090 0.0065 985 GLU A O \n2278 C CB . GLU A 293 ? 1.1650 1.0799 1.0786 -0.0152 0.0972 0.0115 985 GLU A CB \n2279 C CG . GLU A 293 ? 1.3974 1.3229 1.3185 -0.0176 0.1077 0.0131 985 GLU A CG \n2280 C CD . GLU A 293 ? 1.5493 1.4875 1.4873 -0.0213 0.1042 0.0153 985 GLU A CD \n2281 O OE1 . GLU A 293 ? 1.4291 1.3597 1.3618 -0.0253 0.0961 0.0169 985 GLU A OE1 \n2282 O OE2 . GLU A 293 ? 1.5574 1.5126 1.5137 -0.0202 0.1092 0.0155 985 GLU A OE2 \n2283 N N . ARG A 294 ? 0.9454 0.8588 0.8568 -0.0020 0.1001 0.0053 986 ARG A N \n2284 C CA . ARG A 294 ? 1.0036 0.9156 0.9109 0.0034 0.1070 0.0027 986 ARG A CA \n2285 C C . ARG A 294 ? 1.0976 1.0136 1.0132 0.0082 0.1006 0.0006 986 ARG A C \n2286 O O . ARG A 294 ? 1.3179 1.2208 1.2196 0.0107 0.0978 -0.0009 986 ARG A O \n2287 C CB . ARG A 294 ? 1.0660 0.9569 0.9466 0.0030 0.1102 0.0022 986 ARG A CB \n2288 C CG . ARG A 294 ? 1.2138 1.1018 1.0855 0.0000 0.1208 0.0036 986 ARG A CG \n2289 C CD . ARG A 294 ? 1.2418 1.1218 1.1052 -0.0071 0.1162 0.0066 986 ARG A CD \n2290 N NE . ARG A 294 ? 1.4330 1.2896 1.2708 -0.0091 0.1111 0.0068 986 ARG A NE \n2291 C CZ . ARG A 294 ? 1.5835 1.4251 1.4003 -0.0122 0.1169 0.0077 986 ARG A CZ \n2292 N NH1 . ARG A 294 ? 1.5502 1.3985 1.3688 -0.0138 0.1287 0.0086 986 ARG A NH1 \n2293 N NH2 . ARG A 294 ? 1.4309 1.2504 1.2245 -0.0139 0.1109 0.0079 986 ARG A NH2 \n2294 N N . MET A 295 ? 1.0734 1.0065 1.0106 0.0091 0.0982 0.0007 987 MET A N \n2295 C CA . MET A 295 ? 0.9874 0.9254 0.9335 0.0132 0.0926 -0.0011 987 MET A CA \n2296 C C . MET A 295 ? 1.0151 0.9701 0.9801 0.0172 0.0979 -0.0022 987 MET A C \n2297 O O . MET A 295 ? 0.8481 0.8175 0.8297 0.0154 0.0990 -0.0008 987 MET A O \n2298 C CB . MET A 295 ? 1.0538 0.9933 1.0060 0.0106 0.0814 -0.0001 987 MET A CB \n2299 C CG . MET A 295 ? 0.9017 0.8253 0.8384 0.0105 0.0736 -0.0007 987 MET A CG \n2300 S SD . MET A 295 ? 0.9838 0.9087 0.9268 0.0066 0.0616 0.0007 987 MET A SD \n2301 C CE . MET A 295 ? 1.0024 0.9063 0.9240 0.0060 0.0545 0.0004 987 MET A CE \n2302 N N . HIS A 296 ? 1.2215 1.1739 1.1835 0.0227 0.1003 -0.0046 988 HIS A N \n2303 C CA . HIS A 296 ? 1.2213 1.1877 1.1991 0.0274 0.1056 -0.0061 988 HIS A CA \n2304 C C . HIS A 296 ? 0.9897 0.9581 0.9739 0.0308 0.0983 -0.0077 988 HIS A C \n2305 O O . HIS A 296 ? 1.0129 0.9685 0.9836 0.0328 0.0946 -0.0091 988 HIS A O \n2306 C CB . HIS A 296 ? 1.4909 1.4523 1.4595 0.0315 0.1162 -0.0079 988 HIS A CB \n2307 C CG . HIS A 296 ? 1.7146 1.6561 1.6601 0.0335 0.1148 -0.0096 988 HIS A CG \n2308 N ND1 . HIS A 296 ? 1.6524 1.5779 1.5781 0.0295 0.1136 -0.0084 988 HIS A ND1 \n2309 C CD2 . HIS A 296 ? 1.6681 1.6020 1.6065 0.0389 0.1138 -0.0122 988 HIS A CD2 \n2310 C CE1 . HIS A 296 ? 1.5913 1.5005 1.4989 0.0323 0.1119 -0.0102 988 HIS A CE1 \n2311 N NE2 . HIS A 296 ? 1.5946 1.5085 1.5094 0.0380 0.1121 -0.0126 988 HIS A NE2 \n2312 N N . LEU A 297 ? 0.7822 0.7659 0.7861 0.0310 0.0958 -0.0072 989 LEU A N \n2313 C CA . LEU A 297 ? 0.9211 0.9070 0.9312 0.0340 0.0893 -0.0086 989 LEU A CA \n2314 C C . LEU A 297 ? 1.0864 1.0735 1.0982 0.0406 0.0943 -0.0112 989 LEU A C \n2315 O O . LEU A 297 ? 0.8567 0.8540 0.8789 0.0428 0.1019 -0.0114 989 LEU A O \n2316 C CB . LEU A 297 ? 0.8475 0.8472 0.8758 0.0318 0.0840 -0.0074 989 LEU A CB \n2317 C CG . LEU A 297 ? 0.8525 0.8489 0.8785 0.0270 0.0753 -0.0059 989 LEU A CG \n2318 C CD1 . LEU A 297 ? 0.8156 0.8254 0.8593 0.0258 0.0710 -0.0052 989 LEU A CD1 \n2319 C CD2 . LEU A 297 ? 0.6451 0.6285 0.6578 0.0276 0.0689 -0.0069 989 LEU A CD2 \n2320 N N . PRO A 298 ? 1.1030 1.0796 1.1047 0.0437 0.0898 -0.0130 990 PRO A N \n2321 C CA . PRO A 298 ? 1.1468 1.1222 1.1483 0.0503 0.0933 -0.0156 990 PRO A CA \n2322 C C . PRO A 298 ? 1.0815 1.0734 1.1044 0.0529 0.0936 -0.0159 990 PRO A C \n2323 O O . PRO A 298 ? 1.0015 1.0022 1.0364 0.0497 0.0877 -0.0144 990 PRO A O \n2324 C CB . PRO A 298 ? 1.1898 1.1517 1.1785 0.0512 0.0851 -0.0166 990 PRO A CB \n2325 C CG . PRO A 298 ? 1.1807 1.1329 1.1573 0.0455 0.0804 -0.0148 990 PRO A CG \n2326 C CD . PRO A 298 ? 1.0711 1.0358 1.0609 0.0408 0.0808 -0.0125 990 PRO A CD \n2327 N N . SER A 299 ? 1.0622 1.0578 1.0896 0.0588 0.1003 -0.0180 991 SER A N \n2328 C CA . SER A 299 ? 1.1644 1.1743 1.2115 0.0623 0.1002 -0.0186 991 SER A CA \n2329 C C . SER A 299 ? 1.1519 1.1608 1.2021 0.0615 0.0895 -0.0185 991 SER A C \n2330 O O . SER A 299 ? 1.1508 1.1469 1.1875 0.0628 0.0847 -0.0197 991 SER A O \n2331 C CB . SER A 299 ? 1.2245 1.2337 1.2715 0.0700 0.1071 -0.0215 991 SER A CB \n2332 O OG . SER A 299 ? 1.1389 1.1625 1.2062 0.0734 0.1071 -0.0220 991 SER A OG \n2333 N N . PRO A 300 ? 1.1896 1.2117 1.2568 0.0589 0.0858 -0.0169 992 PRO A N \n2334 C CA . PRO A 300 ? 1.1501 1.1718 1.2200 0.0570 0.0760 -0.0164 992 PRO A CA \n2335 C C . PRO A 300 ? 1.2577 1.2724 1.3232 0.0620 0.0723 -0.0187 992 PRO A C \n2336 O O . PRO A 300 ? 1.3139 1.3201 1.3708 0.0602 0.0650 -0.0186 992 PRO A O \n2337 C CB . PRO A 300 ? 1.0954 1.1331 1.1855 0.0551 0.0751 -0.0149 992 PRO A CB \n2338 C CG . PRO A 300 ? 1.1592 1.2041 1.2544 0.0534 0.0828 -0.0136 992 PRO A CG \n2339 C CD . PRO A 300 ? 1.2345 1.2721 1.3189 0.0575 0.0907 -0.0154 992 PRO A CD \n2340 N N . THR A 301 ? 1.0058 1.0240 1.0773 0.0682 0.0771 -0.0206 993 THR A N \n2341 C CA . THR A 301 ? 1.1309 1.1427 1.1992 0.0737 0.0734 -0.0229 993 THR A CA \n2342 C C . THR A 301 ? 1.3328 1.3273 1.3804 0.0766 0.0743 -0.0249 993 THR A C \n2343 O O . THR A 301 ? 1.3010 1.2870 1.3424 0.0803 0.0699 -0.0266 993 THR A O \n2344 C CB . THR A 301 ? 1.1084 1.1311 1.1929 0.0797 0.0772 -0.0244 993 THR A CB \n2345 O OG1 . THR A 301 ? 1.1895 1.2200 1.2798 0.0811 0.0873 -0.0244 993 THR A OG1 \n2346 C CG2 . THR A 301 ? 1.0346 1.0696 1.1366 0.0774 0.0714 -0.0228 993 THR A CG2 \n2347 N N . ASP A 302 ? 1.4030 1.3914 1.4392 0.0749 0.0797 -0.0246 994 ASP A N \n2348 C CA . ASP A 302 ? 1.2990 1.2692 1.3133 0.0765 0.0798 -0.0260 994 ASP A CA \n2349 C C . ASP A 302 ? 1.1727 1.1328 1.1756 0.0708 0.0706 -0.0244 994 ASP A C \n2350 O O . ASP A 302 ? 1.1835 1.1277 1.1680 0.0712 0.0686 -0.0252 994 ASP A O \n2351 C CB . ASP A 302 ? 1.3105 1.2771 1.3158 0.0767 0.0892 -0.0263 994 ASP A CB \n2352 C CG . ASP A 302 ? 1.3941 1.3683 1.4078 0.0831 0.0992 -0.0284 994 ASP A CG \n2353 O OD1 . ASP A 302 ? 1.2311 1.2166 1.2614 0.0869 0.0987 -0.0292 994 ASP A OD1 \n2354 O OD2 . ASP A 302 ? 1.2450 1.2140 1.2488 0.0844 0.1076 -0.0292 994 ASP A OD2 \n2355 N N . SER A 303 ? 1.0468 1.0163 1.0608 0.0657 0.0652 -0.0222 995 SER A N \n2356 C CA . SER A 303 ? 0.9300 0.8923 0.9361 0.0603 0.0567 -0.0206 995 SER A CA \n2357 C C . SER A 303 ? 0.9723 0.9255 0.9718 0.0626 0.0500 -0.0218 995 SER A C \n2358 O O . SER A 303 ? 0.9060 0.8628 0.9127 0.0671 0.0499 -0.0233 995 SER A O \n2359 C CB . SER A 303 ? 0.9694 0.9441 0.9893 0.0548 0.0530 -0.0182 995 SER A CB \n2360 O OG . SER A 303 ? 0.7121 0.6917 0.7406 0.0546 0.0469 -0.0181 995 SER A OG \n2361 N N . ASN A 304 ? 0.9182 0.8593 0.9039 0.0592 0.0440 -0.0210 996 ASN A N \n2362 C CA . ASN A 304 ? 0.9673 0.8986 0.9452 0.0599 0.0369 -0.0217 996 ASN A CA \n2363 C C . ASN A 304 ? 0.9795 0.9208 0.9711 0.0583 0.0316 -0.0208 996 ASN A C \n2364 O O . ASN A 304 ? 0.9483 0.8872 0.9406 0.0619 0.0290 -0.0222 996 ASN A O \n2365 C CB . ASN A 304 ? 0.8458 0.7637 0.8079 0.0554 0.0313 -0.0204 996 ASN A CB \n2366 C CG . ASN A 304 ? 0.9948 0.8992 0.9400 0.0576 0.0355 -0.0215 996 ASN A CG \n2367 O OD1 . ASN A 304 ? 0.9191 0.8199 0.8604 0.0636 0.0415 -0.0238 996 ASN A OD1 \n2368 N ND2 . ASN A 304 ? 0.8242 0.7209 0.7593 0.0528 0.0325 -0.0199 996 ASN A ND2 \n2369 N N . PHE A 305 ? 0.8717 0.8238 0.8738 0.0530 0.0301 -0.0187 997 PHE A N \n2370 C CA . PHE A 305 ? 0.5837 0.5446 0.5974 0.0506 0.0251 -0.0178 997 PHE A CA \n2371 C C . PHE A 305 ? 0.6597 0.6282 0.6849 0.0555 0.0270 -0.0191 997 PHE A C \n2372 O O . PHE A 305 ? 0.7922 0.7591 0.8187 0.0560 0.0217 -0.0193 997 PHE A O \n2373 C CB . PHE A 305 ? 0.6989 0.6702 0.7218 0.0449 0.0244 -0.0156 997 PHE A CB \n2374 C CG . PHE A 305 ? 0.5710 0.5466 0.5998 0.0411 0.0179 -0.0145 997 PHE A CG \n2375 C CD1 . PHE A 305 ? 0.5133 0.4985 0.5547 0.0421 0.0174 -0.0146 997 PHE A CD1 \n2376 C CD2 . PHE A 305 ? 0.6193 0.5889 0.6406 0.0364 0.0123 -0.0133 997 PHE A CD2 \n2377 C CE1 . PHE A 305 ? 0.4505 0.4383 0.4956 0.0385 0.0118 -0.0136 997 PHE A CE1 \n2378 C CE2 . PHE A 305 ? 0.6139 0.5873 0.6400 0.0328 0.0070 -0.0122 997 PHE A CE2 \n2379 C CZ . PHE A 305 ? 0.4722 0.4542 0.5094 0.0338 0.0069 -0.0124 997 PHE A CZ \n2380 N N . TYR A 306 ? 0.5537 0.5301 0.5872 0.0589 0.0342 -0.0198 998 TYR A N \n2381 C CA . TYR A 306 ? 0.6233 0.6085 0.6701 0.0635 0.0360 -0.0210 998 TYR A CA \n2382 C C . TYR A 306 ? 0.6620 0.6372 0.7016 0.0695 0.0342 -0.0233 998 TYR A C \n2383 O O . TYR A 306 ? 0.6307 0.6072 0.6756 0.0707 0.0291 -0.0236 998 TYR A O \n2384 C CB . TYR A 306 ? 0.6187 0.6147 0.6762 0.0658 0.0446 -0.0212 998 TYR A CB \n2385 C CG . TYR A 306 ? 0.6522 0.6584 0.7253 0.0704 0.0460 -0.0221 998 TYR A CG \n2386 C CD1 . TYR A 306 ? 0.7964 0.8152 0.8852 0.0677 0.0439 -0.0206 998 TYR A CD1 \n2387 C CD2 . TYR A 306 ? 0.8168 0.8194 0.8888 0.0777 0.0491 -0.0247 998 TYR A CD2 \n2388 C CE1 . TYR A 306 ? 0.8622 0.8901 0.9657 0.0717 0.0443 -0.0212 998 TYR A CE1 \n2389 C CE2 . TYR A 306 ? 0.8160 0.8283 0.9035 0.0822 0.0499 -0.0256 998 TYR A CE2 \n2390 C CZ . TYR A 306 ? 0.9878 1.0128 1.0913 0.0789 0.0472 -0.0237 998 TYR A CZ \n2391 O OH . TYR A 306 ? 1.0108 1.0453 1.1301 0.0831 0.0472 -0.0244 998 TYR A OH \n2392 N N . ARG A 307 ? 0.7174 0.6820 0.7441 0.0731 0.0381 -0.0250 999 ARG A N \n2393 C CA . ARG A 307 ? 0.8550 0.8086 0.8730 0.0794 0.0367 -0.0275 999 ARG A CA \n2394 C C . ARG A 307 ? 0.9285 0.8721 0.9382 0.0771 0.0269 -0.0270 999 ARG A C \n2395 O O . ARG A 307 ? 0.7012 0.6425 0.7131 0.0810 0.0233 -0.0283 999 ARG A O \n2396 C CB . ARG A 307 ? 0.9740 0.9158 0.9767 0.0830 0.0423 -0.0293 999 ARG A CB \n2397 C CG . ARG A 307 ? 0.9624 0.9122 0.9726 0.0881 0.0527 -0.0309 999 ARG A CG \n2398 C CD . ARG A 307 ? 1.1962 1.1316 1.1893 0.0932 0.0575 -0.0334 999 ARG A CD \n2399 N NE . ARG A 307 ? 1.2909 1.2335 1.2903 0.0984 0.0684 -0.0352 999 ARG A NE \n2400 C CZ . ARG A 307 ? 1.1736 1.1212 1.1823 0.1060 0.0723 -0.0377 999 ARG A CZ \n2401 N NH1 . ARG A 307 ? 1.0498 1.0047 1.0644 0.1101 0.0829 -0.0390 999 ARG A NH1 \n2402 N NH2 . ARG A 307 ? 0.9480 0.8934 0.9601 0.1095 0.0657 -0.0389 999 ARG A NH2 \n2403 N N . ALA A 308 ? 0.7442 0.6822 0.7448 0.0705 0.0226 -0.0250 1000 ALA A N \n2404 C CA . ALA A 308 ? 0.8914 0.8215 0.8849 0.0663 0.0134 -0.0238 1000 ALA A CA \n2405 C C . ALA A 308 ? 0.9300 0.8682 0.9354 0.0649 0.0086 -0.0230 1000 ALA A C \n2406 O O . ALA A 308 ? 0.8472 0.7773 0.8462 0.0638 0.0016 -0.0228 1000 ALA A O \n2407 C CB . ALA A 308 ? 0.5397 0.4677 0.5269 0.0589 0.0109 -0.0214 1000 ALA A CB \n2408 N N . LEU A 309 ? 0.5935 0.5469 0.6153 0.0647 0.0120 -0.0224 1001 LEU A N \n2409 C CA . LEU A 309 ? 0.5147 0.4758 0.5478 0.0631 0.0077 -0.0216 1001 LEU A CA \n2410 C C . LEU A 309 ? 0.6766 0.6404 0.7181 0.0698 0.0082 -0.0235 1001 LEU A C \n2411 O O . LEU A 309 ? 0.6805 0.6418 0.7232 0.0700 0.0020 -0.0235 1001 LEU A O \n2412 C CB . LEU A 309 ? 0.5725 0.5480 0.6186 0.0586 0.0101 -0.0197 1001 LEU A CB \n2413 C CG . LEU A 309 ? 0.5529 0.5297 0.5978 0.0510 0.0053 -0.0175 1001 LEU A CG \n2414 C CD1 . LEU A 309 ? 0.6187 0.5872 0.6508 0.0476 0.0047 -0.0167 1001 LEU A CD1 \n2415 C CD2 . LEU A 309 ? 0.5059 0.4968 0.5648 0.0481 0.0077 -0.0162 1001 LEU A CD2 \n2416 N N . MET A 310 ? 0.6670 0.6361 0.7145 0.0753 0.0156 -0.0251 1002 MET A N \n2417 C CA . MET A 310 ? 0.7759 0.7525 0.8369 0.0814 0.0172 -0.0266 1002 MET A CA \n2418 C C . MET A 310 ? 0.8752 0.8422 0.9299 0.0895 0.0178 -0.0296 1002 MET A C \n2419 O O . MET A 310 ? 0.7655 0.7355 0.8294 0.0943 0.0156 -0.0308 1002 MET A O \n2420 C CB . MET A 310 ? 0.7211 0.7130 0.7973 0.0821 0.0250 -0.0262 1002 MET A CB \n2421 C CG . MET A 310 ? 0.8481 0.8499 0.9318 0.0747 0.0244 -0.0234 1002 MET A CG \n2422 S SD . MET A 310 ? 0.8166 0.8200 0.9049 0.0698 0.0148 -0.0216 1002 MET A SD \n2423 C CE . MET A 310 ? 0.8744 0.8854 0.9788 0.0759 0.0136 -0.0229 1002 MET A CE \n2424 N N . ASP A 311 ? 0.9365 0.8916 0.9755 0.0912 0.0203 -0.0308 1003 ASP A N \n2425 C CA . ASP A 311 ? 1.1948 1.1396 1.2260 0.0994 0.0219 -0.0341 1003 ASP A CA \n2426 C C . ASP A 311 ? 1.1255 1.0573 1.1479 0.1012 0.0126 -0.0349 1003 ASP A C \n2427 O O . ASP A 311 ? 1.1393 1.0642 1.1587 0.1088 0.0129 -0.0378 1003 ASP A O \n2428 C CB . ASP A 311 ? 1.1500 1.0846 1.1655 0.1006 0.0275 -0.0352 1003 ASP A CB \n2429 C CG . ASP A 311 ? 1.2027 1.1484 1.2268 0.1027 0.0384 -0.0357 1003 ASP A CG \n2430 O OD1 . ASP A 311 ? 1.1370 1.0982 1.1768 0.0993 0.0407 -0.0338 1003 ASP A OD1 \n2431 O OD2 . ASP A 311 ? 1.4065 1.3447 1.4208 0.1075 0.0445 -0.0379 1003 ASP A OD2 \n2432 N N . GLU A 312 ? 1.0995 1.0280 1.1177 0.0941 0.0047 -0.0325 1004 GLU A N \n2433 C CA . GLU A 312 ? 1.2079 1.1246 1.2180 0.0943 -0.0045 -0.0327 1004 GLU A CA \n2434 C C . GLU A 312 ? 1.1771 1.0982 1.1993 0.1009 -0.0063 -0.0345 1004 GLU A C \n2435 O O . GLU A 312 ? 1.0493 0.9855 1.0893 0.1013 -0.0036 -0.0339 1004 GLU A O \n2436 C CB . GLU A 312 ? 1.2077 1.1246 1.2158 0.0850 -0.0114 -0.0294 1004 GLU A CB \n2437 C CG . GLU A 312 ? 1.2246 1.1282 1.2222 0.0836 -0.0212 -0.0291 1004 GLU A CG \n2438 C CD . GLU A 312 ? 1.3187 1.2237 1.3149 0.0741 -0.0269 -0.0258 1004 GLU A CD \n2439 O OE1 . GLU A 312 ? 1.0602 0.9566 1.0502 0.0721 -0.0348 -0.0252 1004 GLU A OE1 \n2440 O OE2 . GLU A 312 ? 1.0657 0.9800 1.0666 0.0687 -0.0234 -0.0240 1004 GLU A OE2 \n2441 N N . GLU A 313 ? 1.2401 1.1473 1.2526 0.1061 -0.0114 -0.0365 1005 GLU A N \n2442 C CA . GLU A 313 ? 1.3509 1.2601 1.3737 0.1134 -0.0139 -0.0386 1005 GLU A CA \n2443 C C . GLU A 313 ? 1.3670 1.2826 1.4002 0.1091 -0.0212 -0.0364 1005 GLU A C \n2444 O O . GLU A 313 ? 1.4257 1.3496 1.4739 0.1138 -0.0217 -0.0374 1005 GLU A O \n2445 C CB . GLU A 313 ? 1.3511 1.2418 1.3587 0.1197 -0.0184 -0.0413 1005 GLU A CB \n2446 C CG . GLU A 313 ? 1.4030 1.2900 1.4061 0.1280 -0.0100 -0.0447 1005 GLU A CG \n2447 C CD . GLU A 313 ? 1.4556 1.3215 1.4394 0.1332 -0.0146 -0.0473 1005 GLU A CD \n2448 O OE1 . GLU A 313 ? 1.2632 1.1232 1.2395 0.1395 -0.0079 -0.0501 1005 GLU A OE1 \n2449 O OE2 . GLU A 313 ? 1.3645 1.2187 1.3395 0.1308 -0.0248 -0.0464 1005 GLU A OE2 \n2450 N N . ASP A 314 ? 1.5115 1.4232 1.5368 0.1000 -0.0267 -0.0335 1006 ASP A N \n2451 C CA . ASP A 314 ? 1.5722 1.4894 1.6053 0.0947 -0.0330 -0.0311 1006 ASP A CA \n2452 C C . ASP A 314 ? 1.4561 1.3925 1.5094 0.0942 -0.0278 -0.0303 1006 ASP A C \n2453 O O . ASP A 314 ? 1.3729 1.3149 1.4371 0.0941 -0.0321 -0.0297 1006 ASP A O \n2454 C CB . ASP A 314 ? 1.5887 1.4996 1.6096 0.0848 -0.0378 -0.0282 1006 ASP A CB \n2455 C CG . ASP A 314 ? 1.5604 1.4523 1.5633 0.0840 -0.0461 -0.0283 1006 ASP A CG \n2456 O OD1 . ASP A 314 ? 1.4088 1.2927 1.4103 0.0902 -0.0506 -0.0302 1006 ASP A OD1 \n2457 O OD2 . ASP A 314 ? 1.4157 1.3007 1.4062 0.0771 -0.0484 -0.0264 1006 ASP A OD2 \n2458 N N . MET A 315 ? 1.2051 1.1505 1.2626 0.0935 -0.0190 -0.0302 1007 MET A N \n2459 C CA . MET A 315 ? 1.1385 1.1017 1.2148 0.0940 -0.0131 -0.0296 1007 MET A CA \n2460 C C . MET A 315 ? 1.2377 1.2057 1.3253 0.1037 -0.0090 -0.0325 1007 MET A C \n2461 O O . MET A 315 ? 1.3695 1.3422 1.4596 0.1075 -0.0003 -0.0339 1007 MET A O \n2462 C CB . MET A 315 ? 1.0381 1.0079 1.1136 0.0898 -0.0054 -0.0285 1007 MET A CB \n2463 C CG . MET A 315 ? 0.8406 0.8029 0.9019 0.0818 -0.0082 -0.0264 1007 MET A CG \n2464 S SD . MET A 315 ? 0.8532 0.8189 0.9172 0.0730 -0.0155 -0.0234 1007 MET A SD \n2465 C CE . MET A 315 ? 0.7163 0.7010 0.7988 0.0708 -0.0095 -0.0220 1007 MET A CE \n2466 N N . ASP A 316 ? 1.3918 1.3585 1.4860 0.1076 -0.0154 -0.0333 1008 ASP A N \n2467 C CA . ASP A 316 ? 1.3811 1.3507 1.4855 0.1176 -0.0130 -0.0363 1008 ASP A CA \n2468 C C . ASP A 316 ? 1.2967 1.2857 1.4229 0.1198 -0.0054 -0.0361 1008 ASP A C \n2469 O O . ASP A 316 ? 1.2923 1.2873 1.4204 0.1218 0.0041 -0.0370 1008 ASP A O \n2470 C CB . ASP A 316 ? 1.5407 1.5023 1.6457 0.1208 -0.0233 -0.0370 1008 ASP A CB \n2471 C CG . ASP A 316 ? 1.5026 1.4633 1.6144 0.1321 -0.0217 -0.0407 1008 ASP A CG \n2472 O OD1 . ASP A 316 ? 0.9855 0.9578 1.1165 0.1362 -0.0221 -0.0411 1008 ASP A OD1 \n2473 O OD2 . ASP A 316 ? 1.4722 1.4205 1.5703 0.1370 -0.0203 -0.0432 1008 ASP A OD2 \n2474 N N . ASP A 317 ? 1.2479 1.2462 1.3899 0.1192 -0.0101 -0.0349 1009 ASP A N \n2475 C CA . ASP A 317 ? 1.2146 1.2316 1.3785 0.1206 -0.0043 -0.0343 1009 ASP A CA \n2476 C C . ASP A 317 ? 1.1221 1.1469 1.2920 0.1116 -0.0074 -0.0308 1009 ASP A C \n2477 O O . ASP A 317 ? 0.8749 0.8976 1.0474 0.1092 -0.0163 -0.0295 1009 ASP A O \n2478 C CB . ASP A 317 ? 1.2222 1.2441 1.4022 0.1289 -0.0070 -0.0363 1009 ASP A CB \n2479 C CG . ASP A 317 ? 1.3698 1.3878 1.5478 0.1389 -0.0013 -0.0402 1009 ASP A CG \n2480 O OD1 . ASP A 317 ? 1.2606 1.2696 1.4365 0.1452 -0.0074 -0.0424 1009 ASP A OD1 \n2481 O OD2 . ASP A 317 ? 1.3719 1.3954 1.5501 0.1405 0.0093 -0.0411 1009 ASP A OD2 \n2482 N N . VAL A 318 ? 1.1107 1.1436 1.2818 0.1069 -0.0001 -0.0293 1010 VAL A N \n2483 C CA . VAL A 318 ? 0.9458 0.9838 1.1185 0.0980 -0.0025 -0.0261 1010 VAL A CA \n2484 C C . VAL A 318 ? 0.9217 0.9768 1.1124 0.0964 0.0032 -0.0246 1010 VAL A C \n2485 O O . VAL A 318 ? 0.9048 0.9681 1.1038 0.1007 0.0116 -0.0257 1010 VAL A O \n2486 C CB . VAL A 318 ? 0.9821 1.0111 1.1362 0.0917 -0.0015 -0.0251 1010 VAL A CB \n2487 C CG1 . VAL A 318 ? 1.0631 1.0754 1.2000 0.0916 -0.0088 -0.0259 1010 VAL A CG1 \n2488 C CG2 . VAL A 318 ? 0.9500 0.9808 1.0999 0.0932 0.0083 -0.0261 1010 VAL A CG2 \n2489 N N . VAL A 319 ? 0.7884 0.8483 0.9844 0.0900 -0.0012 -0.0220 1011 VAL A N \n2490 C CA . VAL A 319 ? 0.7216 0.7965 0.9330 0.0869 0.0028 -0.0200 1011 VAL A CA \n2491 C C . VAL A 319 ? 0.8856 0.9594 1.0883 0.0784 0.0028 -0.0178 1011 VAL A C \n2492 O O . VAL A 319 ? 0.7692 0.8361 0.9642 0.0738 -0.0042 -0.0167 1011 VAL A O \n2493 C CB . VAL A 319 ? 0.7737 0.8567 1.0028 0.0878 -0.0032 -0.0190 1011 VAL A CB \n2494 C CG1 . VAL A 319 ? 0.8115 0.9085 1.0547 0.0834 0.0001 -0.0166 1011 VAL A CG1 \n2495 C CG2 . VAL A 319 ? 0.6617 0.7479 0.9024 0.0967 -0.0028 -0.0212 1011 VAL A CG2 \n2496 N N . ASP A 320 ? 0.8943 0.9746 1.0983 0.0765 0.0108 -0.0171 1012 ASP A N \n2497 C CA . ASP A 320 ? 0.9051 0.9855 1.1025 0.0691 0.0117 -0.0152 1012 ASP A CA \n2498 C C . ASP A 320 ? 0.8442 0.9289 1.0489 0.0641 0.0053 -0.0130 1012 ASP A C \n2499 O O . ASP A 320 ? 0.7356 0.8291 0.9560 0.0656 0.0038 -0.0123 1012 ASP A O \n2500 C CB . ASP A 320 ? 0.9345 1.0230 1.1359 0.0685 0.0211 -0.0147 1012 ASP A CB \n2501 C CG . ASP A 320 ? 1.1620 1.2475 1.3527 0.0621 0.0224 -0.0133 1012 ASP A CG \n2502 O OD1 . ASP A 320 ? 1.2353 1.3109 1.4108 0.0617 0.0231 -0.0142 1012 ASP A OD1 \n2503 O OD2 . ASP A 320 ? 1.1828 1.2757 1.3807 0.0576 0.0226 -0.0114 1012 ASP A OD2 \n2504 N N . ALA A 321 ? 0.5800 0.6584 0.7737 0.0583 0.0016 -0.0120 1013 ALA A N \n2505 C CA . ALA A 321 ? 0.6606 0.7410 0.8583 0.0534 -0.0043 -0.0102 1013 ALA A CA \n2506 C C . ALA A 321 ? 0.7590 0.8517 0.9715 0.0514 -0.0017 -0.0084 1013 ALA A C \n2507 O O . ALA A 321 ? 0.7342 0.8301 0.9551 0.0497 -0.0072 -0.0071 1013 ALA A O \n2508 C CB . ALA A 321 ? 0.7095 0.7819 0.8927 0.0476 -0.0069 -0.0096 1013 ALA A CB \n2509 N N . ASP A 322 ? 0.6516 0.7502 0.8662 0.0513 0.0060 -0.0082 1014 ASP A N \n2510 C CA . ASP A 322 ? 0.8273 0.9376 1.0556 0.0493 0.0092 -0.0064 1014 ASP A CA \n2511 C C . ASP A 322 ? 0.8225 0.9420 1.0687 0.0536 0.0089 -0.0063 1014 ASP A C \n2512 O O . ASP A 322 ? 0.9168 1.0441 1.1756 0.0512 0.0063 -0.0044 1014 ASP A O \n2513 C CB . ASP A 322 ? 0.9484 1.0616 1.1736 0.0485 0.0179 -0.0063 1014 ASP A CB \n2514 C CG . ASP A 322 ? 0.9938 1.0991 1.2034 0.0441 0.0180 -0.0062 1014 ASP A CG \n2515 O OD1 . ASP A 322 ? 1.1208 1.2225 1.3216 0.0450 0.0234 -0.0071 1014 ASP A OD1 \n2516 O OD2 . ASP A 322 ? 1.0642 1.1666 1.2703 0.0398 0.0126 -0.0053 1014 ASP A OD2 \n2517 N N . GLU A 323 ? 0.7600 0.8784 1.0073 0.0599 0.0113 -0.0084 1015 GLU A N \n2518 C CA . GLU A 323 ? 0.9332 1.0605 1.1980 0.0651 0.0114 -0.0087 1015 GLU A CA \n2519 C C . GLU A 323 ? 0.8977 1.0222 1.1676 0.0658 0.0011 -0.0085 1015 GLU A C \n2520 O O . GLU A 323 ? 0.8178 0.9513 1.1049 0.0675 -0.0012 -0.0076 1015 GLU A O \n2521 C CB . GLU A 323 ? 0.9994 1.1254 1.2624 0.0723 0.0175 -0.0114 1015 GLU A CB \n2522 C CG . GLU A 323 ? 1.2026 1.3410 1.4854 0.0779 0.0213 -0.0119 1015 GLU A CG \n2523 C CD . GLU A 323 ? 1.3718 1.5076 1.6513 0.0854 0.0276 -0.0149 1015 GLU A CD \n2524 O OE1 . GLU A 323 ? 1.4469 1.5725 1.7086 0.0855 0.0310 -0.0163 1015 GLU A OE1 \n2525 O OE2 . GLU A 323 ? 1.4349 1.5786 1.7296 0.0915 0.0290 -0.0160 1015 GLU A OE2 \n2526 N N . TYR A 324 ? 0.7778 0.8895 1.0324 0.0642 -0.0050 -0.0091 1016 TYR A N \n2527 C CA . TYR A 324 ? 0.7955 0.9016 1.0509 0.0642 -0.0153 -0.0088 1016 TYR A CA \n2528 C C . TYR A 324 ? 0.8272 0.9353 1.0860 0.0577 -0.0208 -0.0063 1016 TYR A C \n2529 O O . TYR A 324 ? 0.9020 1.0115 1.1703 0.0581 -0.0279 -0.0054 1016 TYR A O \n2530 C CB . TYR A 324 ? 0.9663 1.0574 1.2032 0.0645 -0.0195 -0.0103 1016 TYR A CB \n2531 C CG . TYR A 324 ? 0.9966 1.0793 1.2290 0.0619 -0.0300 -0.0095 1016 TYR A CG \n2532 C CD1 . TYR A 324 ? 1.0568 1.1350 1.2801 0.0548 -0.0334 -0.0079 1016 TYR A CD1 \n2533 C CD2 . TYR A 324 ? 0.8997 0.9781 1.1360 0.0666 -0.0367 -0.0105 1016 TYR A CD2 \n2534 C CE1 . TYR A 324 ? 1.1146 1.1843 1.3324 0.0522 -0.0426 -0.0072 1016 TYR A CE1 \n2535 C CE2 . TYR A 324 ? 0.9442 1.0137 1.1751 0.0638 -0.0466 -0.0097 1016 TYR A CE2 \n2536 C CZ . TYR A 324 ? 1.1348 1.1998 1.3559 0.0564 -0.0493 -0.0080 1016 TYR A CZ \n2537 O OH . TYR A 324 ? 1.0923 1.1476 1.3063 0.0534 -0.0587 -0.0072 1016 TYR A OH \n2538 N N . LEU A 325 ? 0.8852 0.9924 1.1356 0.0521 -0.0179 -0.0052 1017 LEU A N \n2539 C CA . LEU A 325 ? 0.8728 0.9807 1.1242 0.0460 -0.0225 -0.0031 1017 LEU A CA \n2540 C C . LEU A 325 ? 0.8820 1.0022 1.1468 0.0439 -0.0178 -0.0013 1017 LEU A C \n2541 O O . LEU A 325 ? 0.9603 1.0889 1.2414 0.0449 -0.0201 0.0000 1017 LEU A O \n2542 C CB . LEU A 325 ? 1.1072 1.2053 1.3403 0.0410 -0.0233 -0.0031 1017 LEU A CB \n2543 C CG . LEU A 325 ? 1.3628 1.4608 1.5937 0.0346 -0.0258 -0.0014 1017 LEU A CG \n2544 C CD1 . LEU A 325 ? 1.4320 1.5260 1.6651 0.0327 -0.0351 -0.0003 1017 LEU A CD1 \n2545 C CD2 . LEU A 325 ? 1.2948 1.3856 1.5092 0.0310 -0.0236 -0.0020 1017 LEU A CD2 \n2546 C C1 . W32 B . ? 0.3488 0.3979 0.4502 -0.0021 -0.0090 -0.0069 1101 W32 A C1 \n2547 C C2 . W32 B . ? 0.3304 0.3824 0.4388 0.0006 -0.0086 -0.0068 1101 W32 A C2 \n2548 C C3 . W32 B . ? 0.3084 0.3425 0.3969 0.0079 -0.0063 -0.0070 1101 W32 A C3 \n2549 C C4 . W32 B . ? 0.3327 0.3768 0.4287 -0.0018 -0.0102 -0.0066 1101 W32 A C4 \n2550 C C5 . W32 B . ? 0.3174 0.3543 0.4079 0.0049 -0.0078 -0.0067 1101 W32 A C5 \n2551 C C6 . W32 B . ? 0.3119 0.3574 0.4166 0.0048 -0.0099 -0.0067 1101 W32 A C6 \n2552 C C7 . W32 B . ? 0.3057 0.3331 0.3928 0.0119 -0.0105 -0.0074 1101 W32 A C7 \n2553 C C8 . W32 B . ? 0.3558 0.3896 0.4565 0.0258 0.0003 -0.0094 1101 W32 A C8 \n2554 C C9 . W32 B . ? 0.4116 0.4324 0.4927 0.0225 -0.0010 -0.0092 1101 W32 A C9 \n2555 C C10 . W32 B . ? 0.2743 0.3251 0.3848 0.0040 -0.0089 -0.0066 1101 W32 A C10 \n2556 C C11 . W32 B . ? 0.3278 0.3571 0.4143 0.0114 -0.0073 -0.0074 1101 W32 A C11 \n2557 C C12 . W32 B . ? 0.3650 0.4069 0.4621 0.0017 -0.0109 -0.0066 1101 W32 A C12 \n2558 C C13 . W32 B . ? 0.3118 0.3462 0.4019 0.0051 -0.0108 -0.0067 1101 W32 A C13 \n2559 C C14 . W32 B . ? 0.3293 0.3590 0.4181 0.0086 -0.0125 -0.0070 1101 W32 A C14 \n2560 C C15 . W32 B . ? 0.3358 0.3580 0.4212 0.0274 0.0021 -0.0101 1101 W32 A C15 \n2561 C C16 . W32 B . ? 0.4117 0.4379 0.4987 0.0196 -0.0029 -0.0086 1101 W32 A C16 \n2562 C C17 . W32 B . ? 0.4094 0.4229 0.4802 0.0202 -0.0026 -0.0089 1101 W32 A C17 \n2563 C C18 . W32 B . ? 0.3766 0.3848 0.4408 0.0216 -0.0008 -0.0092 1101 W32 A C18 \n2564 C C19 . W32 B . ? 0.5119 0.5121 0.5659 0.0185 -0.0041 -0.0086 1101 W32 A C19 \n2565 C C20 . W32 B . ? 0.4085 0.4176 0.4743 0.0256 0.0042 -0.0100 1101 W32 A C20 \n2566 C C21 . W32 B . ? 0.3992 0.4070 0.4671 0.0306 0.0046 -0.0112 1101 W32 A C21 \n2567 C C22 . W32 B . ? 1.0864 1.0790 1.1254 0.0035 -0.0118 -0.0045 1101 W32 A C22 \n2568 C C23 . W32 B . ? 0.6635 0.6600 0.7102 0.0099 -0.0106 -0.0066 1101 W32 A C23 \n2569 C C24 . W32 B . ? 0.7736 0.7706 0.8194 0.0090 -0.0088 -0.0063 1101 W32 A C24 \n2570 C C25 . W32 B . ? 0.2907 0.3458 0.4100 0.0068 -0.0081 -0.0064 1101 W32 A C25 \n2571 N N26 . W32 B . ? 0.3345 0.3640 0.4305 0.0291 0.0030 -0.0102 1101 W32 A N26 \n2572 N N27 . W32 B . ? 0.3665 0.3987 0.4627 0.0212 -0.0024 -0.0087 1101 W32 A N27 \n2573 N N28 . W32 B . ? 0.3585 0.3756 0.4385 0.0312 0.0051 -0.0111 1101 W32 A N28 \n2574 N N29 . W32 B . ? 0.3213 0.3467 0.4044 0.0147 -0.0055 -0.0079 1101 W32 A N29 \n2575 N N30 . W32 B . ? 0.4898 0.4922 0.5444 0.0136 -0.0073 -0.0075 1101 W32 A N30 \n2576 O O31 . W32 B . ? 0.6301 0.6221 0.6755 0.0204 -0.0040 -0.0090 1101 W32 A O31 \n2577 O O32 . W32 B . ? 0.7976 0.7911 0.8373 0.0001 -0.0162 -0.0040 1101 W32 A O32 \n2578 O O33 . W32 B . ? 1.0303 1.0076 1.0557 0.0072 -0.0152 -0.0054 1101 W32 A O33 \n2579 O O34 . W32 B . ? 0.3399 0.3755 0.4303 0.0020 -0.0125 -0.0064 1101 W32 A O34 \n2580 F F35 . W32 B . ? 0.3839 0.4435 0.5071 0.0076 -0.0044 -0.0063 1101 W32 A F35 \n2581 F F36 . W32 B . ? 0.3739 0.4273 0.4947 0.0101 -0.0087 -0.0064 1101 W32 A F36 \n2582 F F37 . W32 B . ? 0.3464 0.4030 0.4690 0.0054 -0.0102 -0.0061 1101 W32 A F37 \n2583 S S38 . W32 B . ? 1.0567 1.0459 1.0932 0.0047 -0.0136 -0.0050 1101 W32 A S38 \n2584 CL CL1 . W32 B . ? 0.3946 0.4202 0.4828 0.0089 -0.0173 -0.0069 1101 W32 A CL1 \n# \nloop_\n_pdbx_poly_seq_scheme.asym_id \n_pdbx_poly_seq_scheme.entity_id \n_pdbx_poly_seq_scheme.seq_id \n_pdbx_poly_seq_scheme.mon_id \n_pdbx_poly_seq_scheme.ndb_seq_num \n_pdbx_poly_seq_scheme.pdb_seq_num \n_pdbx_poly_seq_scheme.auth_seq_num \n_pdbx_poly_seq_scheme.pdb_mon_id \n_pdbx_poly_seq_scheme.auth_mon_id \n_pdbx_poly_seq_scheme.pdb_strand_id \n_pdbx_poly_seq_scheme.pdb_ins_code \n_pdbx_poly_seq_scheme.hetero \nA 1 1 GLY 1 693 ? ? ? A . n \nA 1 2 ALA 2 694 ? ? ? A . n \nA 1 3 MET 3 695 ? ? ? A . n \nA 1 4 GLY 4 696 ? ? ? A . n \nA 1 5 GLU 5 697 ? ? ? A . n \nA 1 6 ALA 6 698 ? ? ? A . n \nA 1 7 PRO 7 699 ? ? ? A . n \nA 1 8 ASN 8 700 ? ? ? A . n \nA 1 9 GLN 9 701 701 GLN GLN A . n \nA 1 10 ALA 10 702 702 ALA ALA A . n \nA 1 11 LEU 11 703 703 LEU LEU A . n \nA 1 12 LEU 12 704 704 LEU LEU A . n \nA 1 13 ARG 13 705 705 ARG ARG A . n \nA 1 14 ILE 14 706 706 ILE ILE A . n \nA 1 15 LEU 15 707 707 LEU LEU A . n \nA 1 16 LYS 16 708 708 LYS LYS A . n \nA 1 17 GLU 17 709 709 GLU GLU A . n \nA 1 18 THR 18 710 710 THR THR A . n \nA 1 19 GLU 19 711 711 GLU GLU A . n \nA 1 20 PHE 20 712 712 PHE PHE A . n \nA 1 21 LYS 21 713 713 LYS LYS A . n \nA 1 22 LYS 22 714 714 LYS LYS A . n \nA 1 23 ILE 23 715 715 ILE ILE A . n \nA 1 24 LYS 24 716 716 LYS LYS A . n \nA 1 25 VAL 25 717 717 VAL VAL A . n \nA 1 26 LEU 26 718 718 LEU LEU A . n \nA 1 27 GLY 27 719 719 GLY GLY A . n \nA 1 28 SER 28 720 720 SER SER A . n \nA 1 29 GLY 29 721 721 GLY GLY A . n \nA 1 30 ALA 30 722 722 ALA ALA A . n \nA 1 31 PHE 31 723 723 PHE PHE A . n \nA 1 32 GLY 32 724 724 GLY GLY A . n \nA 1 33 THR 33 725 725 THR THR A . n \nA 1 34 VAL 34 726 726 VAL VAL A . n \nA 1 35 TYR 35 727 727 TYR TYR A . n \nA 1 36 LYS 36 728 728 LYS LYS A . n \nA 1 37 GLY 37 729 729 GLY GLY A . n \nA 1 38 LEU 38 730 730 LEU LEU A . n \nA 1 39 TRP 39 731 731 TRP TRP A . n \nA 1 40 ILE 40 732 732 ILE ILE A . n \nA 1 41 PRO 41 733 733 PRO PRO A . n \nA 1 42 GLU 42 734 734 GLU GLU A . n \nA 1 43 GLY 43 735 735 GLY GLY A . n \nA 1 44 GLU 44 736 736 GLU GLU A . n \nA 1 45 LYS 45 737 737 LYS LYS A . n \nA 1 46 VAL 46 738 738 VAL VAL A . n \nA 1 47 LYS 47 739 739 LYS LYS A . n \nA 1 48 ILE 48 740 740 ILE ILE A . n \nA 1 49 PRO 49 741 741 PRO PRO A . n \nA 1 50 VAL 50 742 742 VAL VAL A . n \nA 1 51 ALA 51 743 743 ALA ALA A . n \nA 1 52 ILE 52 744 744 ILE ILE A . n \nA 1 53 LYS 53 745 745 LYS LYS A . n \nA 1 54 GLU 54 746 746 GLU GLU A . n \nA 1 55 LEU 55 747 747 LEU LEU A . n \nA 1 56 ARG 56 748 748 ARG ARG A . n \nA 1 57 GLU 57 749 749 GLU GLU A . n \nA 1 58 ALA 58 750 750 ALA ALA A . n \nA 1 59 THR 59 751 751 THR THR A . n \nA 1 60 SER 60 752 752 SER SER A . n \nA 1 61 PRO 61 753 753 PRO PRO A . n \nA 1 62 LYS 62 754 754 LYS LYS A . n \nA 1 63 ALA 63 755 755 ALA ALA A . n \nA 1 64 ASN 64 756 756 ASN ASN A . n \nA 1 65 LYS 65 757 757 LYS LYS A . n \nA 1 66 GLU 66 758 758 GLU GLU A . n \nA 1 67 ILE 67 759 759 ILE ILE A . n \nA 1 68 LEU 68 760 760 LEU LEU A . n \nA 1 69 ASP 69 761 761 ASP ASP A . n \nA 1 70 GLU 70 762 762 GLU GLU A . n \nA 1 71 ALA 71 763 763 ALA ALA A . n \nA 1 72 TYR 72 764 764 TYR TYR A . n \nA 1 73 VAL 73 765 765 VAL VAL A . n \nA 1 74 MET 74 766 766 MET MET A . n \nA 1 75 ALA 75 767 767 ALA ALA A . n \nA 1 76 SER 76 768 768 SER SER A . n \nA 1 77 VAL 77 769 769 VAL VAL A . n \nA 1 78 ASP 78 770 770 ASP ASP A . n \nA 1 79 ASN 79 771 771 ASN ASN A . n \nA 1 80 PRO 80 772 772 PRO PRO A . n \nA 1 81 HIS 81 773 773 HIS HIS A . n \nA 1 82 VAL 82 774 774 VAL VAL A . n \nA 1 83 CYS 83 775 775 CYS CYS A . n \nA 1 84 ARG 84 776 776 ARG ARG A . n \nA 1 85 LEU 85 777 777 LEU LEU A . n \nA 1 86 LEU 86 778 778 LEU LEU A . n \nA 1 87 GLY 87 779 779 GLY GLY A . n \nA 1 88 ILE 88 780 780 ILE ILE A . n \nA 1 89 CYS 89 781 781 CYS CYS A . n \nA 1 90 LEU 90 782 782 LEU LEU A . n \nA 1 91 THR 91 783 783 THR THR A . n \nA 1 92 SER 92 784 784 SER SER A . n \nA 1 93 THR 93 785 785 THR THR A . n \nA 1 94 VAL 94 786 786 VAL VAL A . n \nA 1 95 GLN 95 787 787 GLN GLN A . n \nA 1 96 LEU 96 788 788 LEU LEU A . n \nA 1 97 ILE 97 789 789 ILE ILE A . n \nA 1 98 THR 98 790 790 THR THR A . n \nA 1 99 GLN 99 791 791 GLN GLN A . n \nA 1 100 LEU 100 792 792 LEU LEU A . n \nA 1 101 MET 101 793 793 MET MET A . n \nA 1 102 PRO 102 794 794 PRO PRO A . n \nA 1 103 PHE 103 795 795 PHE PHE A . n \nA 1 104 GLY 104 796 796 GLY GLY A . n \nA 1 105 CYS 105 797 797 CYS CYS A . n \nA 1 106 LEU 106 798 798 LEU LEU A . n \nA 1 107 LEU 107 799 799 LEU LEU A . n \nA 1 108 ASP 108 800 800 ASP ASP A . n \nA 1 109 TYR 109 801 801 TYR TYR A . n \nA 1 110 VAL 110 802 802 VAL VAL A . n \nA 1 111 ARG 111 803 803 ARG ARG A . n \nA 1 112 GLU 112 804 804 GLU GLU A . n \nA 1 113 HIS 113 805 805 HIS HIS A . n \nA 1 114 LYS 114 806 806 LYS LYS A . n \nA 1 115 ASP 115 807 807 ASP ASP A . n \nA 1 116 ASN 116 808 808 ASN ASN A . n \nA 1 117 ILE 117 809 809 ILE ILE A . n \nA 1 118 GLY 118 810 810 GLY GLY A . n \nA 1 119 SER 119 811 811 SER SER A . n \nA 1 120 GLN 120 812 812 GLN GLN A . n \nA 1 121 TYR 121 813 813 TYR TYR A . n \nA 1 122 LEU 122 814 814 LEU LEU A . n \nA 1 123 LEU 123 815 815 LEU LEU A . n \nA 1 124 ASN 124 816 816 ASN ASN A . n \nA 1 125 TRP 125 817 817 TRP TRP A . n \nA 1 126 CYS 126 818 818 CYS CYS A . n \nA 1 127 VAL 127 819 819 VAL VAL A . n \nA 1 128 GLN 128 820 820 GLN GLN A . n \nA 1 129 ILE 129 821 821 ILE ILE A . n \nA 1 130 ALA 130 822 822 ALA ALA A . n \nA 1 131 LYS 131 823 823 LYS LYS A . n \nA 1 132 GLY 132 824 824 GLY GLY A . n \nA 1 133 MET 133 825 825 MET MET A . n \nA 1 134 ASN 134 826 826 ASN ASN A . n \nA 1 135 TYR 135 827 827 TYR TYR A . n \nA 1 136 LEU 136 828 828 LEU LEU A . n \nA 1 137 GLU 137 829 829 GLU GLU A . n \nA 1 138 ASP 138 830 830 ASP ASP A . n \nA 1 139 ARG 139 831 831 ARG ARG A . n \nA 1 140 ARG 140 832 832 ARG ARG A . n \nA 1 141 LEU 141 833 833 LEU LEU A . n \nA 1 142 VAL 142 834 834 VAL VAL A . n \nA 1 143 HIS 143 835 835 HIS HIS A . n \nA 1 144 ARG 144 836 836 ARG ARG A . n \nA 1 145 ASP 145 837 837 ASP ASP A . n \nA 1 146 LEU 146 838 838 LEU LEU A . n \nA 1 147 ALA 147 839 839 ALA ALA A . n \nA 1 148 ALA 148 840 840 ALA ALA A . n \nA 1 149 ARG 149 841 841 ARG ARG A . n \nA 1 150 ASN 150 842 842 ASN ASN A . n \nA 1 151 VAL 151 843 843 VAL VAL A . n \nA 1 152 LEU 152 844 844 LEU LEU A . n \nA 1 153 VAL 153 845 845 VAL VAL A . n \nA 1 154 LYS 154 846 846 LYS LYS A . n \nA 1 155 THR 155 847 847 THR THR A . n \nA 1 156 PRO 156 848 848 PRO PRO A . n \nA 1 157 GLN 157 849 849 GLN GLN A . n \nA 1 158 HIS 158 850 850 HIS HIS A . n \nA 1 159 VAL 159 851 851 VAL VAL A . n \nA 1 160 LYS 160 852 852 LYS LYS A . n \nA 1 161 ILE 161 853 853 ILE ILE A . n \nA 1 162 THR 162 854 854 THR THR A . n \nA 1 163 ASP 163 855 855 ASP ASP A . n \nA 1 164 PHE 164 856 856 PHE PHE A . n \nA 1 165 GLY 165 857 857 GLY GLY A . n \nA 1 166 LEU 166 858 858 LEU LEU A . n \nA 1 167 ALA 167 859 859 ALA ALA A . n \nA 1 168 LYS 168 860 860 LYS LYS A . n \nA 1 169 LEU 169 861 861 LEU LEU A . n \nA 1 170 LEU 170 862 862 LEU LEU A . n \nA 1 171 GLY 171 863 863 GLY GLY A . n \nA 1 172 ALA 172 864 864 ALA ALA A . n \nA 1 173 GLU 173 865 865 GLU GLU A . n \nA 1 174 GLU 174 866 866 GLU GLU A . n \nA 1 175 LYS 175 867 867 LYS LYS A . n \nA 1 176 GLU 176 868 868 GLU GLU A . n \nA 1 177 TYR 177 869 869 TYR TYR A . n \nA 1 178 HIS 178 870 870 HIS HIS A . n \nA 1 179 ALA 179 871 871 ALA ALA A . n \nA 1 180 GLU 180 872 872 GLU GLU A . n \nA 1 181 GLY 181 873 873 GLY GLY A . n \nA 1 182 GLY 182 874 874 GLY GLY A . n \nA 1 183 LYS 183 875 875 LYS LYS A . n \nA 1 184 VAL 184 876 876 VAL VAL A . n \nA 1 185 PRO 185 877 877 PRO PRO A . n \nA 1 186 ILE 186 878 878 ILE ILE A . n \nA 1 187 LYS 187 879 879 LYS LYS A . n \nA 1 188 TRP 188 880 880 TRP TRP A . n \nA 1 189 MET 189 881 881 MET MET A . n \nA 1 190 ALA 190 882 882 ALA ALA A . n \nA 1 191 LEU 191 883 883 LEU LEU A . n \nA 1 192 GLU 192 884 884 GLU GLU A . n \nA 1 193 SER 193 885 885 SER SER A . n \nA 1 194 ILE 194 886 886 ILE ILE A . n \nA 1 195 LEU 195 887 887 LEU LEU A . n \nA 1 196 HIS 196 888 888 HIS HIS A . n \nA 1 197 ARG 197 889 889 ARG ARG A . n \nA 1 198 ILE 198 890 890 ILE ILE A . n \nA 1 199 TYR 199 891 891 TYR TYR A . n \nA 1 200 THR 200 892 892 THR THR A . n \nA 1 201 HIS 201 893 893 HIS HIS A . n \nA 1 202 GLN 202 894 894 GLN GLN A . n \nA 1 203 SER 203 895 895 SER SER A . n \nA 1 204 ASP 204 896 896 ASP ASP A . n \nA 1 205 VAL 205 897 897 VAL VAL A . n \nA 1 206 TRP 206 898 898 TRP TRP A . n \nA 1 207 SER 207 899 899 SER SER A . n \nA 1 208 TYR 208 900 900 TYR TYR A . n \nA 1 209 GLY 209 901 901 GLY GLY A . n \nA 1 210 VAL 210 902 902 VAL VAL A . n \nA 1 211 THR 211 903 903 THR THR A . n \nA 1 212 VAL 212 904 904 VAL VAL A . n \nA 1 213 TRP 213 905 905 TRP TRP A . n \nA 1 214 GLU 214 906 906 GLU GLU A . n \nA 1 215 LEU 215 907 907 LEU LEU A . n \nA 1 216 MET 216 908 908 MET MET A . n \nA 1 217 THR 217 909 909 THR THR A . n \nA 1 218 PHE 218 910 910 PHE PHE A . n \nA 1 219 GLY 219 911 911 GLY GLY A . n \nA 1 220 SER 220 912 912 SER SER A . n \nA 1 221 LYS 221 913 913 LYS LYS A . n \nA 1 222 PRO 222 914 914 PRO PRO A . n \nA 1 223 TYR 223 915 915 TYR TYR A . n \nA 1 224 ASP 224 916 916 ASP ASP A . n \nA 1 225 GLY 225 917 917 GLY GLY A . n \nA 1 226 ILE 226 918 918 ILE ILE A . n \nA 1 227 PRO 227 919 919 PRO PRO A . n \nA 1 228 ALA 228 920 920 ALA ALA A . n \nA 1 229 SER 229 921 921 SER SER A . n \nA 1 230 GLU 230 922 922 GLU GLU A . n \nA 1 231 ILE 231 923 923 ILE ILE A . n \nA 1 232 SER 232 924 924 SER SER A . n \nA 1 233 SER 233 925 925 SER SER A . n \nA 1 234 ILE 234 926 926 ILE ILE A . n \nA 1 235 LEU 235 927 927 LEU LEU A . n \nA 1 236 GLU 236 928 928 GLU GLU A . n \nA 1 237 LYS 237 929 929 LYS LYS A . n \nA 1 238 GLY 238 930 930 GLY GLY A . n \nA 1 239 GLU 239 931 931 GLU GLU A . n \nA 1 240 ARG 240 932 932 ARG ARG A . n \nA 1 241 LEU 241 933 933 LEU LEU A . n \nA 1 242 PRO 242 934 934 PRO PRO A . n \nA 1 243 GLN 243 935 935 GLN GLN A . n \nA 1 244 PRO 244 936 936 PRO PRO A . n \nA 1 245 PRO 245 937 937 PRO PRO A . n \nA 1 246 ILE 246 938 938 ILE ILE A . n \nA 1 247 CYS 247 939 939 CYS CYS A . n \nA 1 248 THR 248 940 940 THR THR A . n \nA 1 249 ILE 249 941 941 ILE ILE A . n \nA 1 250 ASP 250 942 942 ASP ASP A . n \nA 1 251 VAL 251 943 943 VAL VAL A . n \nA 1 252 TYR 252 944 944 TYR TYR A . n \nA 1 253 MET 253 945 945 MET MET A . n \nA 1 254 ILE 254 946 946 ILE ILE A . n \nA 1 255 MET 255 947 947 MET MET A . n \nA 1 256 VAL 256 948 948 VAL VAL A . n \nA 1 257 LYS 257 949 949 LYS LYS A . n \nA 1 258 CYS 258 950 950 CYS CYS A . n \nA 1 259 TRP 259 951 951 TRP TRP A . n \nA 1 260 MET 260 952 952 MET MET A . n \nA 1 261 ILE 261 953 953 ILE ILE A . n \nA 1 262 ASP 262 954 954 ASP ASP A . n \nA 1 263 ALA 263 955 955 ALA ALA A . n \nA 1 264 ASP 264 956 956 ASP ASP A . n \nA 1 265 SER 265 957 957 SER SER A . n \nA 1 266 ARG 266 958 958 ARG ARG A . n \nA 1 267 PRO 267 959 959 PRO PRO A . n \nA 1 268 LYS 268 960 960 LYS LYS A . n \nA 1 269 PHE 269 961 961 PHE PHE A . n \nA 1 270 ARG 270 962 962 ARG ARG A . n \nA 1 271 GLU 271 963 963 GLU GLU A . n \nA 1 272 LEU 272 964 964 LEU LEU A . n \nA 1 273 ILE 273 965 965 ILE ILE A . n \nA 1 274 ILE 274 966 966 ILE ILE A . n \nA 1 275 GLU 275 967 967 GLU GLU A . n \nA 1 276 PHE 276 968 968 PHE PHE A . n \nA 1 277 SER 277 969 969 SER SER A . n \nA 1 278 LYS 278 970 970 LYS LYS A . n \nA 1 279 MET 279 971 971 MET MET A . n \nA 1 280 ALA 280 972 972 ALA ALA A . n \nA 1 281 ARG 281 973 973 ARG ARG A . n \nA 1 282 ASP 282 974 974 ASP ASP A . n \nA 1 283 PRO 283 975 975 PRO PRO A . n \nA 1 284 GLN 284 976 976 GLN GLN A . n \nA 1 285 ARG 285 977 977 ARG ARG A . n \nA 1 286 TYR 286 978 978 TYR TYR A . n \nA 1 287 LEU 287 979 979 LEU LEU A . n \nA 1 288 VAL 288 980 980 VAL VAL A . n \nA 1 289 ILE 289 981 981 ILE ILE A . n \nA 1 290 GLN 290 982 982 GLN GLN A . n \nA 1 291 GLY 291 983 983 GLY GLY A . n \nA 1 292 ASP 292 984 984 ASP ASP A . n \nA 1 293 GLU 293 985 985 GLU GLU A . n \nA 1 294 ARG 294 986 986 ARG ARG A . n \nA 1 295 MET 295 987 987 MET MET A . n \nA 1 296 HIS 296 988 988 HIS HIS A . n \nA 1 297 LEU 297 989 989 LEU LEU A . n \nA 1 298 PRO 298 990 990 PRO PRO A . n \nA 1 299 SER 299 991 991 SER SER A . n \nA 1 300 PRO 300 992 992 PRO PRO A . n \nA 1 301 THR 301 993 993 THR THR A . n \nA 1 302 ASP 302 994 994 ASP ASP A . n \nA 1 303 SER 303 995 995 SER SER A . n \nA 1 304 ASN 304 996 996 ASN ASN A . n \nA 1 305 PHE 305 997 997 PHE PHE A . n \nA 1 306 TYR 306 998 998 TYR TYR A . n \nA 1 307 ARG 307 999 999 ARG ARG A . n \nA 1 308 ALA 308 1000 1000 ALA ALA A . n \nA 1 309 LEU 309 1001 1001 LEU LEU A . n \nA 1 310 MET 310 1002 1002 MET MET A . n \nA 1 311 ASP 311 1003 1003 ASP ASP A . n \nA 1 312 GLU 312 1004 1004 GLU GLU A . n \nA 1 313 GLU 313 1005 1005 GLU GLU A . n \nA 1 314 ASP 314 1006 1006 ASP ASP A . n \nA 1 315 MET 315 1007 1007 MET MET A . n \nA 1 316 ASP 316 1008 1008 ASP ASP A . n \nA 1 317 ASP 317 1009 1009 ASP ASP A . n \nA 1 318 VAL 318 1010 1010 VAL VAL A . n \nA 1 319 VAL 319 1011 1011 VAL VAL A . n \nA 1 320 ASP 320 1012 1012 ASP ASP A . n \nA 1 321 ALA 321 1013 1013 ALA ALA A . n \nA 1 322 ASP 322 1014 1014 ASP ASP A . n \nA 1 323 GLU 323 1015 1015 GLU GLU A . n \nA 1 324 TYR 324 1016 1016 TYR TYR A . n \nA 1 325 LEU 325 1017 1017 LEU LEU A . n \nA 1 326 ILE 326 1018 ? ? ? A . n \nA 1 327 PRO 327 1019 ? ? ? A . n \nA 1 328 GLN 328 1020 ? ? ? A . n \nA 1 329 GLN 329 1021 ? ? ? A . n \nA 1 330 GLY 330 1022 ? ? ? A . n \n# \n_pdbx_struct_assembly.id 1 \n_pdbx_struct_assembly.details author_and_software_defined_assembly \n_pdbx_struct_assembly.method_details PISA \n_pdbx_struct_assembly.oligomeric_details monomeric \n_pdbx_struct_assembly.oligomeric_count 1 \n# \n_pdbx_struct_assembly_gen.assembly_id 1 \n_pdbx_struct_assembly_gen.oper_expression 1 \n_pdbx_struct_assembly_gen.asym_id_list A,B,C,D \n# \n_pdbx_struct_oper_list.id 1 \n_pdbx_struct_oper_list.type 'identity operation' \n_pdbx_struct_oper_list.name 1_555 \n_pdbx_struct_oper_list.symmetry_operation x,y,z \n_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 \n_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 \n_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 \n_pdbx_struct_oper_list.vector[3] 0.0000000000 \n# \nloop_\n_pdbx_audit_revision_history.ordinal \n_pdbx_audit_revision_history.data_content_type \n_pdbx_audit_revision_history.major_revision \n_pdbx_audit_revision_history.minor_revision \n_pdbx_audit_revision_history.revision_date \n1 'Structure model' 1 0 2013-03-06 \n2 'Structure model' 1 1 2013-08-14 \n# \n_pdbx_audit_revision_details.ordinal 1 \n_pdbx_audit_revision_details.revision_ordinal 1 \n_pdbx_audit_revision_details.data_content_type 'Structure model' \n_pdbx_audit_revision_details.provider repository \n_pdbx_audit_revision_details.type 'Initial release' \n_pdbx_audit_revision_details.description ? \n# \n_pdbx_audit_revision_group.ordinal 1 \n_pdbx_audit_revision_group.revision_ordinal 2 \n_pdbx_audit_revision_group.data_content_type 'Structure model' \n_pdbx_audit_revision_group.group 'Database references' \n# \n_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' \n_pdbx_refine_tls.id 1 \n_pdbx_refine_tls.details ? \n_pdbx_refine_tls.method refined \n_pdbx_refine_tls.origin_x 18.7873 \n_pdbx_refine_tls.origin_y 25.9155 \n_pdbx_refine_tls.origin_z 14.3167 \n_pdbx_refine_tls.T[1][1] 0.0200 \n_pdbx_refine_tls.T[2][2] 0.0753 \n_pdbx_refine_tls.T[3][3] 0.1267 \n_pdbx_refine_tls.T[1][2] 0.0062 \n_pdbx_refine_tls.T[1][3] 0.0065 \n_pdbx_refine_tls.T[2][3] -0.0066 \n_pdbx_refine_tls.L[1][1] 0.1474 \n_pdbx_refine_tls.L[2][2] 0.8224 \n_pdbx_refine_tls.L[3][3] 0.5626 \n_pdbx_refine_tls.L[1][2] 0.1030 \n_pdbx_refine_tls.L[1][3] 0.2626 \n_pdbx_refine_tls.L[2][3] -0.0418 \n_pdbx_refine_tls.S[1][1] -0.0344 \n_pdbx_refine_tls.S[1][2] -0.0030 \n_pdbx_refine_tls.S[1][3] -0.0099 \n_pdbx_refine_tls.S[2][1] 0.0695 \n_pdbx_refine_tls.S[2][2] 0.0195 \n_pdbx_refine_tls.S[2][3] 0.0685 \n_pdbx_refine_tls.S[3][1] -0.0921 \n_pdbx_refine_tls.S[3][2] -0.0269 \n_pdbx_refine_tls.S[3][3] 0.0149 \n# \nloop_\n_pdbx_refine_tls_group.pdbx_refine_id \n_pdbx_refine_tls_group.id \n_pdbx_refine_tls_group.refine_tls_id \n_pdbx_refine_tls_group.beg_auth_asym_id \n_pdbx_refine_tls_group.beg_auth_seq_id \n_pdbx_refine_tls_group.beg_label_asym_id \n_pdbx_refine_tls_group.beg_label_seq_id \n_pdbx_refine_tls_group.end_auth_asym_id \n_pdbx_refine_tls_group.end_auth_seq_id \n_pdbx_refine_tls_group.end_label_asym_id \n_pdbx_refine_tls_group.end_label_seq_id \n_pdbx_refine_tls_group.selection \n_pdbx_refine_tls_group.selection_details \n'X-RAY DIFFRACTION' 1 1 A 701 ? ? A 1017 ? ? ? ? \n'X-RAY DIFFRACTION' 2 1 A 1101 ? ? A 1101 ? ? ? ? \n# \nloop_\n_software.name \n_software.classification \n_software.version \n_software.citation_id \n_software.pdbx_ordinal \nADSC 'data collection' Quantum ? 1 \nMOLREP phasing . ? 2 \nREFMAC refinement 5.7.0029 ? 3 \nHKL-2000 'data reduction' . ? 4 \nHKL-2000 'data scaling' . ? 5 \n# \nloop_\n_pdbx_validate_torsion.id \n_pdbx_validate_torsion.PDB_model_num \n_pdbx_validate_torsion.auth_comp_id \n_pdbx_validate_torsion.auth_asym_id \n_pdbx_validate_torsion.auth_seq_id \n_pdbx_validate_torsion.PDB_ins_code \n_pdbx_validate_torsion.label_alt_id \n_pdbx_validate_torsion.phi \n_pdbx_validate_torsion.psi \n1 1 LEU A 718 ? ? -97.29 -61.72 \n2 1 THR A 783 ? ? -137.24 -130.68 \n3 1 ARG A 836 ? ? 76.05 -4.36 \n4 1 ASP A 837 ? ? -148.74 39.52 \n5 1 ARG A 986 ? ? -100.19 60.75 \n6 1 ASP A 1008 ? ? -70.75 -90.39 \n# \nloop_\n_pdbx_unobs_or_zero_occ_residues.id \n_pdbx_unobs_or_zero_occ_residues.PDB_model_num \n_pdbx_unobs_or_zero_occ_residues.polymer_flag \n_pdbx_unobs_or_zero_occ_residues.occupancy_flag \n_pdbx_unobs_or_zero_occ_residues.auth_asym_id \n_pdbx_unobs_or_zero_occ_residues.auth_comp_id \n_pdbx_unobs_or_zero_occ_residues.auth_seq_id \n_pdbx_unobs_or_zero_occ_residues.PDB_ins_code \n_pdbx_unobs_or_zero_occ_residues.label_asym_id \n_pdbx_unobs_or_zero_occ_residues.label_comp_id \n_pdbx_unobs_or_zero_occ_residues.label_seq_id \n1 1 Y 1 A GLY 693 ? A GLY 1 \n2 1 Y 1 A ALA 694 ? A ALA 2 \n3 1 Y 1 A MET 695 ? A MET 3 \n4 1 Y 1 A GLY 696 ? A GLY 4 \n5 1 Y 1 A GLU 697 ? A GLU 5 \n6 1 Y 1 A ALA 698 ? A ALA 6 \n7 1 Y 1 A PRO 699 ? A PRO 7 \n8 1 Y 1 A ASN 700 ? A ASN 8 \n9 1 Y 1 A ILE 1018 ? A ILE 326 \n10 1 Y 1 A PRO 1019 ? A PRO 327 \n11 1 Y 1 A GLN 1020 ? A GLN 328 \n12 1 Y 1 A GLN 1021 ? A GLN 329 \n13 1 Y 1 A GLY 1022 ? A GLY 330 \n# \nloop_\n_pdbx_entity_nonpoly.entity_id \n_pdbx_entity_nonpoly.name \n_pdbx_entity_nonpoly.comp_id \n2 \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\nW32 \n3 'SULFATE ION' SO4 \n4 water HOH \n# \nloop_\n_pdbx_nonpoly_scheme.asym_id \n_pdbx_nonpoly_scheme.entity_id \n_pdbx_nonpoly_scheme.mon_id \n_pdbx_nonpoly_scheme.ndb_seq_num \n_pdbx_nonpoly_scheme.pdb_seq_num \n_pdbx_nonpoly_scheme.auth_seq_num \n_pdbx_nonpoly_scheme.pdb_mon_id \n_pdbx_nonpoly_scheme.auth_mon_id \n_pdbx_nonpoly_scheme.pdb_strand_id \n_pdbx_nonpoly_scheme.pdb_ins_code \nB 2 W32 1 1101 1101 W32 LIG A . \nC 3 SO4 1 1102 1102 SO4 SO4 A . \nD 4 HOH 1 2001 2001 HOH HOH A . \nD 4 HOH 2 2002 2002 HOH HOH A . \nD 4 HOH 3 2003 2003 HOH HOH A . \nD 4 HOH 4 2004 2004 HOH HOH A . \nD 4 HOH 5 2005 2005 HOH HOH A . \nD 4 HOH 6 2006 2006 HOH HOH A . \nD 4 HOH 7 2007 2007 HOH HOH A . \nD 4 HOH 8 2008 2008 HOH HOH A . \nD 4 HOH 9 2009 2009 HOH HOH A . \nD 4 HOH 10 2010 2010 HOH HOH A . \nD 4 HOH 11 2011 2011 HOH HOH A . \nD 4 HOH 12 2012 2012 HOH HOH A . \nD 4 HOH 13 2013 2013 HOH HOH A . \nD 4 HOH 14 2014 2014 HOH HOH A . \nD 4 HOH 15 2015 2015 HOH HOH A . \nD 4 HOH 16 2016 2016 HOH HOH A . \nD 4 HOH 17 2017 2017 HOH HOH A . \nD 4 HOH 18 2018 2018 HOH HOH A . \nD 4 HOH 19 2019 2019 HOH HOH A . \nD 4 HOH 20 2020 2020 HOH HOH A . \nD 4 HOH 21 2021 2021 HOH HOH A . \nD 4 HOH 22 2022 2022 HOH HOH A . \nD 4 HOH 23 2023 2023 HOH HOH A . \nD 4 HOH 24 2024 2024 HOH HOH A . \nD 4 HOH 25 2025 2025 HOH HOH A . \nD 4 HOH 26 2026 2026 HOH HOH A . \nD 4 HOH 27 2027 2027 HOH HOH A . \nD 4 HOH 28 2028 2028 HOH HOH A . \nD 4 HOH 29 2029 2029 HOH HOH A . \nD 4 HOH 30 2030 2030 HOH HOH A . \nD 4 HOH 31 2031 2031 HOH HOH A . \nD 4 HOH 32 2032 2032 HOH HOH A . \nD 4 HOH 33 2033 2033 HOH HOH A . \nD 4 HOH 34 2034 2034 HOH HOH A . \nD 4 HOH 35 2035 2035 HOH HOH A . \nD 4 HOH 36 2036 2036 HOH HOH A . \nD 4 HOH 37 2037 2037 HOH HOH A . \nD 4 HOH 38 2038 2038 HOH HOH A . \nD 4 HOH 39 2039 2039 HOH HOH A . \nD 4 HOH 40 2040 2040 HOH HOH A . \nD 4 HOH 41 2041 2041 HOH HOH A . \nD 4 HOH 42 2042 2042 HOH HOH A . \nD 4 HOH 43 2043 2043 HOH HOH A . \nD 4 HOH 44 2044 2044 HOH HOH A . \nD 4 HOH 45 2045 2045 HOH HOH A . \nD 4 HOH 46 2046 2046 HOH HOH A . \nD 4 HOH 47 2047 2047 HOH HOH A . \nD 4 HOH 48 2048 2048 HOH HOH A . \nD 4 HOH 49 2049 2049 HOH HOH A . \nD 4 HOH 50 2050 2050 HOH HOH A . \nD 4 HOH 51 2051 2051 HOH HOH A . \nD 4 HOH 52 2052 2052 HOH HOH A . \nD 4 HOH 53 2053 2053 HOH HOH A . \nD 4 HOH 54 2054 2054 HOH HOH A . \nD 4 HOH 55 2055 2055 HOH HOH A . \nD 4 HOH 56 2056 2056 HOH HOH A . \nD 4 HOH 57 2057 2057 HOH HOH A . \nD 4 HOH 58 2058 2058 HOH HOH A . \nD 4 HOH 59 2059 2059 HOH HOH A . \nD 4 HOH 60 2060 2060 HOH HOH A . \nD 4 HOH 61 2061 2061 HOH HOH A . \nD 4 HOH 62 2062 2062 HOH HOH A . \nD 4 HOH 63 2063 2063 HOH HOH A . \nD 4 HOH 64 2064 2064 HOH HOH A . \nD 4 HOH 65 2065 2065 HOH HOH A . \nD 4 HOH 66 2066 2066 HOH HOH A . \nD 4 HOH 67 2067 2067 HOH HOH A . \nD 4 HOH 68 2068 2068 HOH HOH A . \nD 4 HOH 69 2069 2069 HOH HOH A . \nD 4 HOH 70 2070 2070 HOH HOH A . \nD 4 HOH 71 2071 2071 HOH HOH A . \nD 4 HOH 72 2072 2072 HOH HOH A . \nD 4 HOH 73 2073 2073 HOH HOH A . \nD 4 HOH 74 2074 2074 HOH HOH A . \nD 4 HOH 75 2075 2075 HOH HOH A . \nD 4 HOH 76 2076 2076 HOH HOH A . \nD 4 HOH 77 2077 2077 HOH HOH A . \nD 4 HOH 78 2078 2078 HOH HOH A . \nD 4 HOH 79 2079 2079 HOH HOH A . \nD 4 HOH 80 2080 2080 HOH HOH A . \nD 4 HOH 81 2081 2081 HOH HOH A . \nD 4 HOH 82 2082 2082 HOH HOH A . \n# \n",
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- "data": "HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-DEC-12 3W32\nTITLE MDANALYSIS FRAME 0: Created by PDBWriter\nCOMPND MOL_ID: 1;\nCOMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR;\nCOMPND 3 CHAIN: A;\nCOMPND 4 FRAGMENT: KINASE DOMAIN, UNP RESIDUES 696-1022;\nCOMPND 5 SYNONYM: PROTO-ONCOGENE C-ERBB-1, RECEPTOR TYROSINE-PROTEIN KINASE\nCOMPND 6 ERBB-1;\nCOMPND 7 EC: 2.7.10.1;\nCOMPND 8 ENGINEERED: YES\nREMARK 2\nREMARK 2 RESOLUTION. 1.80 ANGSTROMS.\nREMARK 3\nREMARK 3 REFINEMENT.\nREMARK 3 PROGRAM : REFMAC 5.7.0029\nREMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON\nREMARK 3\nREMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD\nREMARK 3\nREMARK 3 DATA USED IN REFINEMENT.\nREMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80\nREMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00\nREMARK 3 DATA CUTOFF (SIGMA(F)) : NULL\nREMARK 3 COMPLETENESS FOR RANGE (%) : 99.0\nREMARK 3 NUMBER OF REFLECTIONS : 29096\nREMARK 3\nREMARK 3 FIT TO DATA USED IN REFINEMENT.\nREMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT\nREMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM\nREMARK 3 R VALUE (WORKING + TEST SET) : 0.202\nREMARK 3 R VALUE (WORKING SET) : 0.200\nREMARK 3 FREE R VALUE : 0.236\nREMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000\nREMARK 3 FREE R VALUE TEST SET COUNT : 1539\nREMARK 3\nREMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.\nREMARK 3 TOTAL NUMBER OF BINS USED : 20\nREMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80\nREMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85\nREMARK 3 REFLECTION IN BIN (WORKING SET) : 2043\nREMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.73\nREMARK 3 BIN R VALUE (WORKING SET) : 0.3070\nREMARK 3 BIN FREE R VALUE SET COUNT : 110\nREMARK 3 BIN FREE R VALUE : 0.3440\nREMARK 3\nREMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.\nREMARK 3 PROTEIN ATOMS : 2545\nREMARK 3 NUCLEIC ACID ATOMS : 0\nREMARK 3 HETEROGEN ATOMS : 44\nREMARK 3 SOLVENT ATOMS : 82\nREMARK 3\nREMARK 3 B VALUES.\nREMARK 3 FROM WILSON PLOT (A**2) : NULL\nREMARK 3 MEAN B VALUE (OVERALL, A**2) : 46.45\nREMARK 3 OVERALL ANISOTROPIC B VALUE.\nREMARK 3 B11 (A**2) : 3.86000\nREMARK 3 B22 (A**2) : 0.11000\nREMARK 3 B33 (A**2) : -3.97000\nREMARK 3 B12 (A**2) : -0.00000\nREMARK 3 B13 (A**2) : -0.00000\nREMARK 3 B23 (A**2) : -0.00000\nREMARK 3\nREMARK 3 ESTIMATED OVERALL COORDINATE ERROR.\nREMARK 3 ESU BASED ON R VALUE (A): 0.141\nREMARK 3 ESU BASED ON FREE R VALUE (A): 0.131\nREMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.103\nREMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.930\nREMARK 3\nREMARK 3 CORRELATION COEFFICIENTS.\nREMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962\nREMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.943\nREMARK 3\nREMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT\nREMARK 3 BOND LENGTHS REFINED ATOMS (A): 2647 ; 0.009 ; 0.019\nREMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3587 ; 1.362 ; 1.995\nREMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL\nREMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 316 ; 5.462 ; 5.000\nREMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 114 ;34.868 ;24.123\nREMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 481 ;14.009 ;15.000\nREMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;16.236 ;15.000\nREMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 393 ; 0.092 ; 0.200\nREMARK 3 GENERAL PLANES REFINED ATOMS (A): 2017 ; 0.006 ; 0.021\nREMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 NCS RESTRAINTS STATISTICS\nREMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL\nREMARK 3\nREMARK 3 TLS DETAILS\nREMARK 3 NUMBER OF TLS GROUPS : 1\nREMARK 3\nREMARK 3 TLS GROUP : 1\nREMARK 3 NUMBER OF COMPONENTS GROUP : 2\nREMARK 3 COMPONENTS C SSSEQI TO C SSSEQI\nREMARK 3 RESIDUE RANGE : A 701 A 1017\nREMARK 3 RESIDUE RANGE : A 1101 A 1101\nREMARK 3 ORIGIN FOR THE GROUP (A): 18.7873 25.9155 14.3167\nREMARK 3 T TENSOR\nREMARK 3 T11: 0.0200 T22: 0.0753\nREMARK 3 T33: 0.1267 T12: 0.0062\nREMARK 3 T13: 0.0065 T23: -0.0066\nREMARK 3 L TENSOR\nREMARK 3 L11: 0.1474 L22: 0.8224\nREMARK 3 L33: 0.5626 L12: 0.1030\nREMARK 3 L13: 0.2626 L23: -0.0418\nREMARK 3 S TENSOR\nREMARK 3 S11: -0.0344 S12: -0.0030 S13: -0.0099\nREMARK 3 S21: 0.0695 S22: 0.0195 S23: 0.0685\nREMARK 3 S31: -0.0921 S32: -0.0269 S33: 0.0149\nREMARK 3\nREMARK 3 BULK SOLVENT MODELLING.\nREMARK 3 METHOD USED : MASK\nREMARK 3 PARAMETERS FOR MASK CALCULATION\nREMARK 3 VDW PROBE RADIUS : 1.40\nREMARK 3 ION PROBE RADIUS : 0.80\nREMARK 3 SHRINKAGE RADIUS : 0.80\nREMARK 3\nREMARK 3 OTHER REFINEMENT REMARKS: NULL\nREMARK 4\nREMARK 4 3W32 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11\nREMARK 100\nREMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-DEC-12.\nREMARK 100 THE RCSB ID CODE IS RCSB095823.\nREMARK 200\nREMARK 200 EXPERIMENTAL DETAILS\nREMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION\nREMARK 200 DATE OF DATA COLLECTION : 21-DEC-11\nREMARK 200 TEMPERATURE (KELVIN) : 100\nREMARK 200 PH : 5.5\nREMARK 200 NUMBER OF CRYSTALS USED : 1\nREMARK 200\nREMARK 200 SYNCHROTRON (Y/N) : Y\nREMARK 200 RADIATION SOURCE : ALS\nREMARK 200 BEAMLINE : 5.0.3\nREMARK 200 X-RAY GENERATOR MODEL : NULL\nREMARK 200 MONOCHROMATIC OR LAUE (M/L) : M\nREMARK 200 WAVELENGTH OR RANGE (A) : 0.97649\nREMARK 200 MONOCHROMATOR : NULL\nREMARK 200 OPTICS : NULL\nREMARK 200\nREMARK 200 DETECTOR TYPE : CCD\nREMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R\nREMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000\nREMARK 200 DATA SCALING SOFTWARE : HKL-2000\nREMARK 200\nREMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30817\nREMARK 200 RESOLUTION RANGE HIGH (A) : 1.800\nREMARK 200 RESOLUTION RANGE LOW (A) : 50.000\nREMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL\nREMARK 200\nREMARK 200 OVERALL.\nREMARK 200 COMPLETENESS FOR RANGE (%) : 99.7\nREMARK 200 DATA REDUNDANCY : 4.800\nREMARK 200 R MERGE (I) : NULL\nREMARK 200 R SYM (I) : 0.05400\nREMARK 200 FOR THE DATA SET : 26.1000\nREMARK 200\nREMARK 200 IN THE HIGHEST RESOLUTION SHELL.\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.83\nREMARK 200 COMPLETENESS FOR SHELL (%) : 99.9\nREMARK 200 DATA REDUNDANCY IN SHELL : 4.90\nREMARK 200 R MERGE FOR SHELL (I) : NULL\nREMARK 200 R SYM FOR SHELL (I) : 0.89800\nREMARK 200 FOR SHELL : 2.000\nREMARK 200\nREMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH\nREMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT\nREMARK 200 SOFTWARE USED: MOLREP\nREMARK 200 STARTING MODEL: 1XKK\nREMARK 200\nREMARK 200 REMARK: NULL\nREMARK 280\nREMARK 280 CRYSTAL\nREMARK 280 SOLVENT CONTENT, VS (%): 43.59\nREMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18\nREMARK 280\nREMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES, 0.2M LITHIUM SULFATE,\nREMARK 25%\nREMARK 280 PEG 3350, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE\nREMARK 298K\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY\nREMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21\nREMARK 290\nREMARK 290 SYMOP SYMMETRY\nREMARK 290 NNNMMM OPERATOR\nREMARK 290 1555 X,Y,Z\nREMARK 290 2555 -X+1/2,-Y,Z+1/2\nREMARK 290 3555 -X,Y+1/2,-Z+1/2\nREMARK 290 4555 X+1/2,-Y+1/2,-Z\nREMARK 290\nREMARK 290 WHERE NNN -> OPERATOR NUMBER\nREMARK 290 MMM -> TRANSLATION VECTOR\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS\nREMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM\nREMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY\nREMARK 290 RELATED MOLECULES.\nREMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.63650\nREMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.63650\nREMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000\nREMARK 290\nREMARK 290 REMARK: NULL\nREMARK 300\nREMARK 300 BIOMOLECULE: 1\nREMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM\nREMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN\nREMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON\nREMARK 300 BURIED SURFACE AREA.\nREMARK 350\nREMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN\nREMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE\nREMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS\nREMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND\nREMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.\nREMARK 350\nREMARK 350 BIOMOLECULE: 1\nREMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC\nREMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC\nREMARK 350 SOFTWARE USED: PISA\nREMARK 350 APPLY THE FOLLOWING TO CHAINS: A\nREMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 465\nREMARK 465 MISSING RESIDUES\nREMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE\nREMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN\nREMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)\nREMARK 465\nREMARK 465 M RES C SSSEQI\nREMARK 465 GLY A 693\nREMARK 465 ALA A 694\nREMARK 465 MET A 695\nREMARK 465 GLY A 696\nREMARK 465 GLU A 697\nREMARK 465 ALA A 698\nREMARK 465 PRO A 699\nREMARK 465 ASN A 700\nREMARK 465 ILE A 1018\nREMARK 465 PRO A 1019\nREMARK 465 GLN A 1020\nREMARK 465 GLN A 1021\nREMARK 465 GLY A 1022\nREMARK 500\nREMARK 500 GEOMETRY AND STEREOCHEMISTRY\nREMARK 500 SUBTOPIC: TORSION ANGLES\nREMARK 500\nREMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:\nREMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;\nREMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).\nREMARK 500\nREMARK 500 STANDARD TABLE:\nREMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)\nREMARK 500\nREMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-\nREMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400\nREMARK 500\nREMARK 500 M RES CSSEQI PSI PHI\nREMARK 500 LEU A 718 -61.72 -97.29\nREMARK 500 THR A 783 -130.68 -137.24\nREMARK 500 ARG A 836 -4.36 76.05\nREMARK 500 ASP A 837 39.52 -148.74\nREMARK 500 ARG A 986 60.75 -100.19\nREMARK 500 ASP A1008 -90.39 -70.75\nREMARK 500\nREMARK 500 REMARK: NULL\nREMARK 800\nREMARK 800 SITE\nREMARK 800 SITE_IDENTIFIER: AC1\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE W32 A 1101\nREMARK 800\nREMARK 800 SITE_IDENTIFIER: AC2\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1102\nREMARK 900\nREMARK 900 RELATED ENTRIES\nREMARK 900 RELATED ID: 3POZ RELATED DB: PDB\nREMARK 900 RELATED ID: 3W33 RELATED DB: PDB\nCRYST1 46.443 68.306 103.273 90.00 90.00 90.00 P 1 1\nATOM 1 N GLN A 701 -0.023 33.326 -4.411 1.00 47.95 A N\nATOM 2 CA GLN A 701 -0.291 31.978 -3.835 1.00 50.95 A C\nATOM 3 C GLN A 701 0.946 31.062 -3.957 1.00 47.20 A C\nATOM 4 O GLN A 701 0.876 29.863 -3.659 1.00 47.25 A O\nATOM 5 CB GLN A 701 -1.501 31.341 -4.517 1.00 64.85 A C\nATOM 6 CG GLN A 701 -2.441 30.619 -3.562 1.00 84.93 A C\nATOM 7 CD GLN A 701 -3.514 29.816 -4.282 1.00102.47 A C\nATOM 8 OE1 GLN A 701 -4.681 30.215 -4.329 1.00 95.64 A O\nATOM 9 NE2 GLN A 701 -3.123 28.679 -4.849 1.00100.38 A N\nATOM 10 N ALA A 702 2.069 31.642 -4.384 1.00 45.71 A N\nATOM 11 CA ALA A 702 3.343 30.929 -4.498 1.00 43.17 A C\nATOM 12 C ALA A 702 3.775 30.322 -3.161 1.00 47.99 A C\nATOM 13 O ALA A 702 3.538 30.924 -2.110 1.00 44.37 A O\nATOM 14 CB ALA A 702 4.416 31.882 -5.023 1.00 42.30 A C\nATOM 15 N LEU A 703 4.401 29.139 -3.199 1.00 38.24 A N\nATOM 16 CA LEU A 703 5.009 28.552 -2.003 1.00 37.89 A C\nATOM 17 C LEU A 703 6.142 29.430 -1.494 1.00 37.81 A C\nATOM 18 O LEU A 703 6.222 29.735 -0.302 1.00 39.19 A O\nATOM 19 CB LEU A 703 5.530 27.130 -2.289 1.00 36.07 A C\nATOM 20 CG LEU A 703 5.658 26.188 -1.082 1.00 46.85 A C\nATOM 21 CD1 LEU A 703 4.475 26.310 -0.125 1.00 49.71 A C\nATOM 22 CD2 LEU A 703 5.791 24.740 -1.541 1.00 44.12 A C\nATOM 23 N LEU A 704 7.016 29.822 -2.415 1.00 33.81 A N\nATOM 24 CA LEU A 704 8.054 30.799 -2.155 1.00 32.97 A C\nATOM 25 C LEU A 704 7.590 32.151 -2.677 1.00 34.88 A C\nATOM 26 O LEU A 704 7.644 32.424 -3.878 1.00 34.62 A O\nATOM 27 CB LEU A 704 9.371 30.386 -2.831 1.00 33.39 A C\nATOM 28 CG LEU A 704 10.591 31.295 -2.585 1.00 38.51 A C\nATOM 29 CD1 LEU A 704 10.953 31.361 -1.104 1.00 34.30 A C\nATOM 30 CD2 LEU A 704 11.796 30.854 -3.421 1.00 39.10 A C\nATOM 31 N ARG A 705 7.120 33.006 -1.775 1.00 35.37 A N\nATOM 32 CA ARG A 705 6.680 34.346 -2.183 1.00 37.73 A C\nATOM 33 C ARG A 705 7.840 35.253 -2.555 1.00 41.05 A C\nATOM 34 O ARG A 705 8.844 35.319 -1.838 1.00 40.80 A O\nATOM 35 CB ARG A 705 5.837 34.997 -1.093 1.00 46.62 A C\nATOM 36 CG ARG A 705 4.460 34.388 -0.965 1.00 48.65 A C\nATOM 37 CD ARG A 705 3.829 34.763 0.358 1.00 65.57 A C\nATOM 38 NE ARG A 705 2.514 35.377 0.173 1.00 86.68 A N\nATOM 39 CZ ARG A 705 1.353 34.757 0.356 1.00 93.12 A C\nATOM 40 NH1 ARG A 705 1.317 33.485 0.736 1.00 98.53 A N\nATOM 41 NH2 ARG A 705 0.220 35.417 0.161 1.00 92.67 A N\nATOM 42 N ILE A 706 7.698 35.943 -3.686 1.00 39.60 A N\nATOM 43 CA ILE A 706 8.700 36.898 -4.116 1.00 43.49 A C\nATOM 44 C ILE A 706 8.207 38.234 -3.610 1.00 47.29 A C\nATOM 45 O ILE A 706 7.260 38.798 -4.160 1.00 44.25 A O\nATOM 46 CB ILE A 706 8.837 36.961 -5.649 1.00 52.42 A C\nATOM 47 CG1 ILE A 706 9.004 35.559 -6.256 1.00 51.04 A C\nATOM 48 CG2 ILE A 706 9.975 37.897 -6.048 1.00 53.78 A C\nATOM 49 CD1 ILE A 706 10.122 34.729 -5.654 1.00 43.80 A C\nATOM 50 N LEU A 707 8.836 38.729 -2.552 1.00 44.78 A N\nATOM 51 CA LEU A 707 8.365 39.947 -1.911 1.00 45.23 A C\nATOM 52 C LEU A 707 9.109 41.154 -2.458 1.00 51.28 A C\nATOM 53 O LEU A 707 10.318 41.092 -2.692 1.00 49.23 A O\nATOM 54 CB LEU A 707 8.544 39.881 -0.391 1.00 47.65 A C\nATOM 55 CG LEU A 707 8.012 38.705 0.428 1.00 54.52 A C\nATOM 56 CD1 LEU A 707 8.324 38.928 1.896 1.00 43.38 A C\nATOM 57 CD2 LEU A 707 6.521 38.497 0.232 1.00 44.93 A C\nATOM 58 N LYS A 708 8.366 42.237 -2.676 1.00 49.18 A N\nATOM 59 CA LYS A 708 8.936 43.529 -3.035 1.00 61.50 A C\nATOM 60 C LYS A 708 9.393 44.224 -1.768 1.00 50.76 A C\nATOM 61 O LYS A 708 8.770 44.070 -0.717 1.00 45.43 A O\nATOM 62 CB LYS A 708 7.891 44.407 -3.729 1.00 62.24 A C\nATOM 63 CG LYS A 708 7.556 44.004 -5.157 1.00 77.38 A C\nATOM 64 CD LYS A 708 6.048 43.943 -5.381 1.00 92.20 A C\nATOM 65 CE LYS A 708 5.334 45.228 -4.984 1.00 96.25 A C\nATOM 66 NZ LYS A 708 3.853 45.097 -5.081 1.00100.00 A N\nATOM 67 N GLU A 709 10.473 44.994 -1.879 1.00 51.48 A N\nATOM 68 CA GLU A 709 11.019 45.768 -0.758 1.00 53.55 A C\nATOM 69 C GLU A 709 9.963 46.612 -0.044 1.00 57.51 A C\nATOM 70 O GLU A 709 10.016 46.795 1.175 1.00 53.23 A O\nATOM 71 CB GLU A 709 12.169 46.651 -1.235 1.00 59.31 A C\nATOM 72 CG GLU A 709 13.434 45.873 -1.562 1.00 72.06 A C\nATOM 73 CD GLU A 709 14.597 46.768 -1.940 1.00 93.68 A C\nATOM 74 OE1 GLU A 709 15.553 46.867 -1.141 1.00 83.68 A O\nATOM 75 OE2 GLU A 709 14.556 47.370 -3.037 1.00102.62 A O\nATOM 76 N THR A 710 9.000 47.113 -0.809 1.00 57.55 A N\nATOM 77 CA THR A 710 7.909 47.910 -0.252 1.00 61.28 A C\nATOM 78 C THR A 710 6.964 47.093 0.638 1.00 54.24 A C\nATOM 79 O THR A 710 6.198 47.661 1.416 1.00 57.81 A O\nATOM 80 CB THR A 710 7.093 48.606 -1.364 1.00 63.46 A C\nATOM 81 OG1 THR A 710 6.576 47.624 -2.275 1.00 63.38 A O\nATOM 82 CG2 THR A 710 7.958 49.614 -2.128 1.00 61.93 A C\nATOM 83 N GLU A 711 7.034 45.765 0.530 1.00 50.22 A N\nATOM 84 CA GLU A 711 6.124 44.862 1.239 1.00 56.68 A C\nATOM 85 C GLU A 711 6.551 44.536 2.659 1.00 57.72 A C\nATOM 86 O GLU A 711 5.754 44.024 3.451 1.00 52.39 A O\nATOM 87 CB GLU A 711 6.023 43.535 0.507 1.00 61.93 A C\nATOM 88 CG GLU A 711 5.118 43.514 -0.698 1.00 62.49 A C\nATOM 89 CD GLU A 711 5.016 42.116 -1.252 1.00 59.26 A C\nATOM 90 OE1 GLU A 711 5.574 41.880 -2.337 1.00 54.03 A O\nATOM 91 OE2 GLU A 711 4.413 41.250 -0.581 1.00 74.56 A O\nATOM 92 N PHE A 712 7.816 44.782 2.967 1.00 48.75 A N\nATOM 93 CA PHE A 712 8.343 44.449 4.291 1.00 54.26 A C\nATOM 94 C PHE A 712 9.321 45.508 4.795 1.00 45.27 A C\nATOM 95 O PHE A 712 9.920 46.235 4.000 1.00 48.92 A O\nATOM 96 CB PHE A 712 8.976 43.045 4.294 1.00 46.56 A C\nATOM 97 CG PHE A 712 10.222 42.928 3.457 1.00 42.91 A C\nATOM 98 CD1 PHE A 712 11.483 43.010 4.046 1.00 51.07 A C\nATOM 99 CD2 PHE A 712 10.147 42.734 2.077 1.00 46.22 A C\nATOM 100 CE1 PHE A 712 12.644 42.902 3.285 1.00 44.32 A C\nATOM 101 CE2 PHE A 712 11.308 42.632 1.312 1.00 42.45 A C\nATOM 102 CZ PHE A 712 12.558 42.714 1.917 1.00 46.72 A C\nATOM 103 N LYS A 713 9.481 45.577 6.115 1.00 46.12 A N\nATOM 104 CA LYS A 713 10.320 46.606 6.756 1.00 45.30 A C\nATOM 105 C LYS A 713 11.170 46.000 7.867 1.00 49.56 A C\nATOM 106 O LYS A 713 10.647 45.280 8.717 1.00 45.46 A O\nATOM 107 CB LYS A 713 9.456 47.720 7.356 1.00 49.90 A C\nATOM 108 CG LYS A 713 8.771 48.628 6.353 1.00 61.39 A C\nATOM 109 CD LYS A 713 7.824 49.599 7.050 1.00 81.27 A C\nATOM 110 CE LYS A 713 6.888 50.280 6.056 1.00 69.86 A C\nATOM 111 NZ LYS A 713 6.043 51.324 6.705 1.00 75.33 A N\nATOM 112 N LYS A 714 12.471 46.301 7.847 1.00 42.35 A N\nATOM 113 CA LYS A 714 13.389 45.951 8.930 1.00 46.11 A C\nATOM 114 C LYS A 714 13.160 46.943 10.061 1.00 49.85 A C\nATOM 115 O LYS A 714 13.256 48.154 9.856 1.00 46.66 A O\nATOM 116 CB LYS A 714 14.845 46.063 8.477 1.00 49.54 A C\nATOM 117 CG LYS A 714 15.287 45.129 7.369 1.00 53.76 A C\nATOM 118 CD LYS A 714 16.780 45.310 7.156 1.00 53.79 A C\nATOM 119 CE LYS A 714 17.258 44.686 5.862 1.00 52.83 A C\nATOM 120 NZ LYS A 714 16.787 45.457 4.676 1.00 51.68 A N\nATOM 121 N ILE A 715 12.852 46.439 11.251 1.00 41.67 A N\nATOM 122 CA ILE A 715 12.489 47.317 12.368 1.00 48.15 A C\nATOM 123 C ILE A 715 13.658 47.486 13.336 1.00 52.85 A C\nATOM 124 O ILE A 715 14.015 48.611 13.693 1.00 49.85 A O\nATOM 125 CB ILE A 715 11.191 46.843 13.061 1.00 41.49 A C\nATOM 126 CG1 ILE A 715 10.029 47.003 12.077 1.00 54.99 A C\nATOM 127 CG2 ILE A 715 10.918 47.629 14.339 1.00 47.96 A C\nATOM 128 CD1 ILE A 715 8.670 46.667 12.641 1.00 54.20 A C\nATOM 129 N LYS A 716 14.260 46.369 13.744 1.00 43.46 A N\nATOM 130 CA LYS A 716 15.429 46.392 14.621 1.00 42.49 A C\nATOM 131 C LYS A 716 16.392 45.271 14.247 1.00 45.76 A C\nATOM 132 O LYS A 716 15.983 44.237 13.719 1.00 37.65 A O\nATOM 133 CB LYS A 716 15.018 46.242 16.094 1.00 41.41 A C\nATOM 134 CG LYS A 716 14.316 47.443 16.710 1.00 50.17 A C\nATOM 135 CD LYS A 716 15.288 48.548 17.111 1.00 45.61 A C\nATOM 136 CE LYS A 716 14.606 49.912 17.154 1.00 50.59 A C\nATOM 137 NZ LYS A 716 13.715 50.066 18.332 1.00 57.19 A N\nATOM 138 N VAL A 717 17.673 45.475 14.541 1.00 41.16 A N\nATOM 139 CA VAL A 717 18.678 44.442 14.362 1.00 44.05 A C\nATOM 140 C VAL A 717 18.537 43.387 15.446 1.00 43.45 A C\nATOM 141 O VAL A 717 18.310 43.709 16.608 1.00 42.18 A O\nATOM 142 CB VAL A 717 20.107 45.009 14.449 1.00 51.16 A C\nATOM 143 CG1 VAL A 717 21.126 43.887 14.314 1.00 47.71 A C\nATOM 144 CG2 VAL A 717 20.336 46.059 13.379 1.00 50.70 A C\nATOM 145 N LEU A 718 18.670 42.119 15.068 1.00 37.54 A N\nATOM 146 CA LEU A 718 18.797 41.074 16.067 1.00 33.15 A C\nATOM 147 C LEU A 718 20.279 40.757 16.246 1.00 37.30 A C\nATOM 148 O LEU A 718 20.810 40.967 17.326 1.00 35.69 A O\nATOM 149 CB LEU A 718 17.938 39.850 15.721 1.00 36.59 A C\nATOM 150 CG LEU A 718 16.428 40.166 15.737 1.00 36.86 A C\nATOM 151 CD1 LEU A 718 15.544 39.021 15.239 1.00 37.85 A C\nATOM 152 CD2 LEU A 718 15.991 40.593 17.131 1.00 43.64 A C\nATOM 153 N GLY A 719 20.953 40.292 15.192 1.00 36.46 A N\nATOM 154 CA GLY A 719 22.388 39.991 15.276 1.00 44.27 A C\nATOM 155 C GLY A 719 23.000 39.439 14.002 1.00 57.08 A C\nATOM 156 O GLY A 719 22.282 39.077 13.066 1.00 53.06 A O\nATOM 157 N SER A 720 24.332 39.364 13.984 1.00 50.75 A N\nATOM 158 CA SER A 720 25.091 38.813 12.856 1.00 51.92 A C\nATOM 159 C SER A 720 25.623 37.404 13.118 1.00 49.94 A C\nATOM 160 O SER A 720 25.669 36.937 14.256 1.00 55.24 A O\nATOM 161 CB SER A 720 26.258 39.736 12.495 1.00 63.92 A C\nATOM 162 OG SER A 720 25.807 40.883 11.797 1.00 68.03 A O\nATOM 163 N GLY A 721 26.029 36.737 12.043 1.00 57.18 A N\nATOM 164 CA GLY A 721 26.598 35.399 12.113 1.00 57.01 A C\nATOM 165 C GLY A 721 27.510 35.199 10.922 1.00 63.27 A C\nATOM 166 O GLY A 721 27.672 36.108 10.098 1.00 61.34 A O\nATOM 167 N ALA A 722 28.107 34.012 10.835 1.00 71.41 A N\nATOM 168 CA ALA A 722 28.983 33.644 9.716 1.00 73.15 A C\nATOM 169 C ALA A 722 28.313 33.834 8.352 1.00 71.72 A C\nATOM 170 O ALA A 722 28.929 34.359 7.417 1.00 59.12 A O\nATOM 171 CB ALA A 722 29.472 32.207 9.870 1.00 75.65 A C\nATOM 172 N PHE A 723 27.048 33.425 8.245 1.00 55.28 A N\nATOM 173 CA PHE A 723 26.364 33.451 6.959 1.00 45.36 A C\nATOM 174 C PHE A 723 25.582 34.728 6.671 1.00 48.16 A C\nATOM 175 O PHE A 723 25.209 34.967 5.523 1.00 48.85 A O\nATOM 176 CB PHE A 723 25.478 32.207 6.773 1.00 54.29 A C\nATOM 177 CG PHE A 723 26.238 30.908 6.806 1.00 54.47 A C\nATOM 178 CD1 PHE A 723 25.767 29.831 7.558 1.00 50.67 A C\nATOM 179 CD2 PHE A 723 27.441 30.759 6.102 1.00 49.42 A C\nATOM 180 CE1 PHE A 723 26.475 28.635 7.608 1.00 55.72 A C\nATOM 181 CE2 PHE A 723 28.142 29.562 6.141 1.00 43.55 A C\nATOM 182 CZ PHE A 723 27.667 28.504 6.905 1.00 48.56 A C\nATOM 183 N GLY A 724 25.325 35.543 7.693 1.00 43.86 A N\nATOM 184 CA GLY A 724 24.590 36.788 7.469 1.00 31.49 A C\nATOM 185 C GLY A 724 24.017 37.449 8.711 1.00 41.98 A C\nATOM 186 O GLY A 724 24.322 37.039 9.836 1.00 47.37 A O\nATOM 187 N THR A 725 23.156 38.446 8.488 1.00 38.68 A N\nATOM 188 CA THR A 725 22.603 39.310 9.542 1.00 38.78 A C\nATOM 189 C THR A 725 21.065 39.285 9.625 1.00 38.49 A C\nATOM 190 O THR A 725 20.391 39.449 8.608 1.00 33.98 A O\nATOM 191 CB THR A 725 23.053 40.762 9.320 1.00 49.97 A C\nATOM 192 OG1 THR A 725 24.483 40.810 9.375 1.00 46.95 A O\nATOM 193 CG2 THR A 725 22.472 41.700 10.383 1.00 44.75 A C\nATOM 194 N VAL A 726 20.534 39.134 10.842 1.00 32.51 A N\nATOM 195 CA VAL A 726 19.070 38.979 11.051 1.00 35.80 A C\nATOM 196 C VAL A 726 18.414 40.191 11.729 1.00 34.03 A C\nATOM 197 O VAL A 726 18.988 40.751 12.672 1.00 34.12 A O\nATOM 198 CB VAL A 726 18.745 37.679 11.833 1.00 33.62 A C\nATOM 199 CG1 VAL A 726 17.231 37.439 11.869 1.00 35.20 A C\nATOM 200 CG2 VAL A 726 19.400 36.488 11.163 1.00 37.39 A C\nATOM 201 N TYR A 727 17.215 40.566 11.254 1.00 33.84 A N\nATOM 202 CA TYR A 727 16.439 41.698 11.760 1.00 32.33 A C\nATOM 203 C TYR A 727 15.042 41.252 12.170 1.00 37.12 A C\nATOM 204 O TYR A 727 14.463 40.338 11.555 1.00 34.66 A O\nATOM 205 CB TYR A 727 16.246 42.780 10.672 1.00 34.43 A C\nATOM 206 CG TYR A 727 17.514 43.312 10.073 1.00 40.06 A C\nATOM 207 CD1 TYR A 727 18.048 44.535 10.495 1.00 44.66 A C\nATOM 208 CD2 TYR A 727 18.204 42.586 9.100 1.00 48.07 A C\nATOM 209 CE1 TYR A 727 19.233 45.017 9.958 1.00 40.67 A C\nATOM 210 CE2 TYR A 727 19.393 43.057 8.559 1.00 45.69 A C\nATOM 211 CZ TYR A 727 19.897 44.277 8.987 1.00 50.79 A C\nATOM 212 OH TYR A 727 21.076 44.738 8.449 1.00 40.87 A O\nATOM 213 N LYS A 728 14.496 41.908 13.186 1.00 31.04 A N\nATOM 214 CA LYS A 728 13.046 41.836 13.452 1.00 34.53 A C\nATOM 215 C LYS A 728 12.362 42.756 12.451 1.00 38.87 A C\nATOM 216 O LYS A 728 12.862 43.841 12.167 1.00 39.43 A O\nATOM 217 CB LYS A 728 12.735 42.293 14.875 1.00 39.98 A C\nATOM 218 CG LYS A 728 11.263 42.187 15.275 1.00 50.05 A C\nATOM 219 CD LYS A 728 10.997 42.809 16.640 1.00 41.41 A C\nATOM 220 CE LYS A 728 10.879 44.322 16.557 1.00 49.69 A C\nATOM 221 NZ LYS A 728 10.778 44.921 17.913 1.00 50.16 A N\nATOM 222 N GLY A 729 11.222 42.334 11.912 1.00 38.44 A N\nATOM 223 CA GLY A 729 10.526 43.156 10.939 1.00 40.01 A C\nATOM 224 C GLY A 729 9.034 42.913 10.861 1.00 36.82 A C\nATOM 225 O GLY A 729 8.488 42.144 11.635 1.00 33.00 A O\nATOM 226 N LEU A 730 8.388 43.608 9.930 1.00 42.24 A N\nATOM 227 CA LEU A 730 6.978 43.392 9.627 1.00 41.16 A C\nATOM 228 C LEU A 730 6.790 43.121 8.139 1.00 37.54 A C\nATOM 229 O LEU A 730 7.381 43.794 7.295 1.00 43.28 A O\nATOM 230 CB LEU A 730 6.128 44.602 10.042 1.00 55.61 A C\nATOM 231 CG LEU A 730 5.797 44.815 11.522 1.00 54.61 A C\nATOM 232 CD1 LEU A 730 5.056 46.134 11.690 1.00 55.22 A C\nATOM 233 CD2 LEU A 730 4.985 43.665 12.105 1.00 62.65 A C\nATOM 234 N TRP A 731 5.976 42.119 7.831 1.00 42.21 A N\nATOM 235 CA TRP A 731 5.575 41.865 6.463 1.00 38.29 A C\nATOM 236 C TRP A 731 4.115 42.307 6.264 1.00 44.54 A C\nATOM 237 O TRP A 731 3.205 41.854 6.974 1.00 40.95 A O\nATOM 238 CB TRP A 731 5.791 40.400 6.085 1.00 44.76 A C\nATOM 239 CG TRP A 731 5.239 40.023 4.741 1.00 49.04 A C\nATOM 240 CD1 TRP A 731 5.266 40.773 3.595 1.00 56.68 A C\nATOM 241 CD2 TRP A 731 4.591 38.792 4.399 1.00 57.71 A C\nATOM 242 NE1 TRP A 731 4.663 40.089 2.569 1.00 61.09 A N\nATOM 243 CE2 TRP A 731 4.244 38.869 3.032 1.00 55.11 A C\nATOM 244 CE3 TRP A 731 4.266 37.631 5.118 1.00 50.16 A C\nATOM 245 CZ2 TRP A 731 3.587 37.833 2.369 1.00 65.58 A C\nATOM 246 CZ3 TRP A 731 3.615 36.603 4.461 1.00 59.33 A C\nATOM 247 CH2 TRP A 731 3.276 36.713 3.098 1.00 60.58 A C\nATOM 248 N ILE A 732 3.936 43.209 5.304 1.00 46.64 A N\nATOM 249 CA ILE A 732 2.625 43.709 4.887 1.00 54.61 A C\nATOM 250 C ILE A 732 2.347 43.178 3.476 1.00 52.31 A C\nATOM 251 O ILE A 732 2.779 43.779 2.492 1.00 58.58 A O\nATOM 252 CB ILE A 732 2.602 45.255 4.904 1.00 54.63 A C\nATOM 253 CG1 ILE A 732 3.132 45.776 6.246 1.00 54.82 A C\nATOM 254 CG2 ILE A 732 1.194 45.787 4.641 1.00 66.79 A C\nATOM 255 CD1 ILE A 732 3.898 47.083 6.154 1.00 59.18 A C\nATOM 256 N PRO A 733 1.668 42.016 3.370 1.00 54.05 A N\nATOM 257 CA PRO A 733 1.327 41.500 2.042 1.00 58.55 A C\nATOM 258 C PRO A 733 0.630 42.595 1.229 1.00 65.49 A C\nATOM 259 O PRO A 733 -0.188 43.342 1.778 1.00 49.96 A O\nATOM 260 CB PRO A 733 0.373 40.346 2.348 1.00 64.25 A C\nATOM 261 CG PRO A 733 0.768 39.882 3.707 1.00 61.88 A C\nATOM 262 CD PRO A 733 1.226 41.110 4.446 1.00 62.75 A C\nATOM 263 N GLU A 734 0.979 42.695 -0.052 1.00 70.24 A N\nATOM 264 CA GLU A 734 0.686 43.884 -0.872 1.00 94.73 A C\nATOM 265 C GLU A 734 -0.777 44.355 -0.899 1.00 97.63 A C\nATOM 266 O GLU A 734 -1.074 45.485 -0.500 1.00 94.38 A O\nATOM 267 CB GLU A 734 1.246 43.724 -2.298 1.00109.10 A C\nATOM 268 CG GLU A 734 1.023 42.356 -2.932 1.00121.90 A C\nATOM 269 CD GLU A 734 2.032 42.040 -4.022 1.00137.46 A C\nATOM 270 OE1 GLU A 734 2.181 42.851 -4.963 1.00133.69 A O\nATOM 271 OE2 GLU A 734 2.677 40.973 -3.941 1.00133.05 A O\nATOM 272 N GLY A 735 -1.679 43.493 -1.356 1.00 77.00 A N\nATOM 273 CA GLY A 735 -3.081 43.876 -1.524 1.00102.31 A C\nATOM 274 C GLY A 735 -3.886 43.756 -0.246 1.00 94.49 A C\nATOM 275 O GLY A 735 -4.924 44.398 -0.090 1.00 87.16 A O\nATOM 276 N GLU A 736 -3.388 42.942 0.677 1.00 84.67 A N\nATOM 277 CA GLU A 736 -4.127 42.579 1.880 1.00 78.16 A C\nATOM 278 C GLU A 736 -4.024 43.678 2.935 1.00 83.43 A C\nATOM 279 O GLU A 736 -3.373 44.703 2.709 1.00 81.42 A O\nATOM 280 CB GLU A 736 -3.615 41.237 2.397 1.00 81.23 A C\nATOM 281 CG GLU A 736 -3.274 40.281 1.260 1.00 77.57 A C\nATOM 282 CD GLU A 736 -2.886 38.898 1.726 1.00 87.99 A C\nATOM 283 OE1 GLU A 736 -1.955 38.315 1.129 1.00 79.62 A O\nATOM 284 OE2 GLU A 736 -3.512 38.390 2.680 1.00 96.84 A O\nATOM 285 N LYS A 737 -4.679 43.481 4.076 1.00 74.52 A N\nATOM 286 CA LYS A 737 -4.699 44.519 5.107 1.00 87.38 A C\nATOM 287 C LYS A 737 -4.260 44.016 6.485 1.00 96.71 A C\nATOM 288 O LYS A 737 -4.977 44.181 7.477 1.00109.85 A O\nATOM 289 CB LYS A 737 -6.077 45.199 5.170 1.00102.72 A C\nATOM 290 CG LYS A 737 -6.406 46.051 3.949 1.00109.69 A C\nATOM 291 CD LYS A 737 -7.648 46.936 4.172 1.00118.48 A C\nATOM 292 CE LYS A 737 -7.282 48.276 4.851 1.00123.12 A C\nATOM 293 NZ LYS A 737 -8.538 49.108 5.062 1.00124.87 A N\nATOM 294 N VAL A 738 -3.074 43.406 6.534 1.00 81.63 A N\nATOM 295 CA VAL A 738 -2.501 42.891 7.786 1.00 70.23 A C\nATOM 296 C VAL A 738 -0.992 43.163 7.922 1.00 67.18 A C\nATOM 297 O VAL A 738 -0.292 43.394 6.933 1.00 49.00 A O\nATOM 298 CB VAL A 738 -2.770 41.373 7.985 1.00 75.03 A C\nATOM 299 CG1 VAL A 738 -4.250 41.103 8.236 1.00 86.92 A C\nATOM 300 CG2 VAL A 738 -2.252 40.551 6.808 1.00 64.70 A C\nATOM 301 N LYS A 739 -0.516 43.146 9.165 1.00 59.40 A N\nATOM 302 CA LYS A 739 0.904 43.256 9.475 1.00 60.90 A C\nATOM 303 C LYS A 739 1.318 41.933 10.119 1.00 50.28 A C\nATOM 304 O LYS A 739 0.703 41.504 11.090 1.00 49.12 A O\nATOM 305 CB LYS A 739 1.147 44.419 10.443 1.00 54.97 A C\nATOM 306 CG LYS A 739 0.870 45.811 9.886 1.00 67.55 A C\nATOM 307 CD LYS A 739 0.807 46.815 11.029 1.00 68.22 A C\nATOM 308 CE LYS A 739 0.849 48.258 10.555 1.00 69.70 A C\nATOM 309 NZ LYS A 739 0.897 49.182 11.726 1.00 63.68 A N\nATOM 310 N ILE A 740 2.334 41.275 9.569 1.00 53.92 A N\nATOM 311 CA ILE A 740 2.775 39.976 10.098 1.00 43.42 A C\nATOM 312 C ILE A 740 4.222 40.069 10.602 1.00 38.89 A C\nATOM 313 O ILE A 740 5.111 40.395 9.830 1.00 37.20 A O\nATOM 314 CB ILE A 740 2.637 38.847 9.043 1.00 47.72 A C\nATOM 315 CG1 ILE A 740 1.192 38.754 8.531 1.00 44.69 A C\nATOM 316 CG2 ILE A 740 3.097 37.499 9.607 1.00 42.82 A C\nATOM 317 CD1 ILE A 740 1.076 38.138 7.152 1.00 46.45 A C\nATOM 318 N PRO A 741 4.452 39.781 11.897 1.00 40.77 A N\nATOM 319 CA PRO A 741 5.827 39.786 12.440 1.00 39.30 A C\nATOM 320 C PRO A 741 6.717 38.738 11.759 1.00 38.75 A C\nATOM 321 O PRO A 741 6.362 37.551 11.684 1.00 38.50 A O\nATOM 322 CB PRO A 741 5.632 39.455 13.923 1.00 38.97 A C\nATOM 323 CG PRO A 741 4.153 39.637 14.186 1.00 41.99 A C\nATOM 324 CD PRO A 741 3.478 39.309 12.893 1.00 42.15 A C\nATOM 325 N VAL A 742 7.853 39.202 11.251 1.00 38.86 A N\nATOM 326 CA VAL A 742 8.786 38.356 10.514 1.00 38.13 A C\nATOM 327 C VAL A 742 10.231 38.581 11.005 1.00 34.95 A C\nATOM 328 O VAL A 742 10.561 39.632 11.583 1.00 34.01 A O\nATOM 329 CB VAL A 742 8.687 38.599 8.982 1.00 37.29 A C\nATOM 330 CG1 VAL A 742 7.346 38.112 8.437 1.00 40.56 A C\nATOM 331 CG2 VAL A 742 8.931 40.075 8.615 1.00 37.85 A C\nATOM 332 N ALA A 743 11.064 37.564 10.815 1.00 30.95 A N\nATOM 333 CA ALA A 743 12.504 37.735 10.909 1.00 31.06 A C\nATOM 334 C ALA A 743 12.971 37.867 9.468 1.00 29.26 A C\nATOM 335 O ALA A 743 12.443 37.205 8.545 1.00 29.67 A O\nATOM 336 CB ALA A 743 13.145 36.521 11.607 1.00 27.75 A C\nATOM 337 N ILE A 744 13.960 38.729 9.257 1.00 29.82 A N\nATOM 338 CA ILE A 744 14.482 38.989 7.941 1.00 26.91 A C\nATOM 339 C ILE A 744 15.996 38.776 7.997 1.00 32.94 A C\nATOM 340 O ILE A 744 16.659 39.439 8.787 1.00 31.67 A O\nATOM 341 CB ILE A 744 14.187 40.451 7.521 1.00 32.45 A C\nATOM 342 CG1 ILE A 744 12.668 40.686 7.463 1.00 33.88 A C\nATOM 343 CG2 ILE A 744 14.811 40.752 6.170 1.00 33.17 A C\nATOM 344 CD1 ILE A 744 12.266 42.143 7.435 1.00 43.30 A C\nATOM 345 N LYS A 745 16.513 37.833 7.209 1.00 31.04 A N\nATOM 346 CA LYS A 745 17.973 37.573 7.139 1.00 31.99 A C\nATOM 347 C LYS A 745 18.524 38.109 5.822 1.00 39.09 A C\nATOM 348 O LYS A 745 18.134 37.638 4.751 1.00 38.70 A O\nATOM 349 CB LYS A 745 18.294 36.063 7.319 1.00 28.72 A C\nATOM 350 CG LYS A 745 19.802 35.726 7.423 1.00 31.87 A C\nATOM 351 CD LYS A 745 20.007 34.389 8.138 1.00 31.76 A C\nATOM 352 CE LYS A 745 21.491 34.095 8.338 1.00 35.24 A C\nATOM 353 NZ LYS A 745 21.698 32.907 9.205 1.00 39.22 A N\nATOM 354 N GLU A 746 19.416 39.106 5.904 1.00 34.93 A N\nATOM 355 CA GLU A 746 20.142 39.638 4.746 1.00 33.61 A C\nATOM 356 C GLU A 746 21.526 38.979 4.663 1.00 41.73 A C\nATOM 357 O GLU A 746 22.298 39.054 5.609 1.00 40.63 A O\nATOM 358 CB GLU A 746 20.301 41.152 4.901 1.00 38.35 A C\nATOM 359 CG GLU A 746 20.665 41.861 3.615 1.00 43.31 A C\nATOM 360 CD GLU A 746 20.339 43.344 3.649 1.00 56.57 A C\nATOM 361 OE1 GLU A 746 20.746 44.024 4.616 1.00 60.73 A O\nATOM 362 OE2 GLU A 746 19.673 43.828 2.704 1.00 56.47 A O\nATOM 363 N LEU A 747 21.833 38.337 3.537 1.00 44.06 A N\nATOM 364 CA LEU A 747 23.024 37.488 3.450 1.00 49.19 A C\nATOM 365 C LEU A 747 24.281 38.279 3.131 1.00 60.11 A C\nATOM 366 O LEU A 747 24.202 39.411 2.649 1.00 50.14 A O\nATOM 367 CB LEU A 747 22.837 36.348 2.436 1.00 42.55 A C\nATOM 368 CG LEU A 747 21.603 35.433 2.522 1.00 47.94 A C\nATOM 369 CD1 LEU A 747 21.721 34.261 1.547 1.00 56.88 A C\nATOM 370 CD2 LEU A 747 21.335 34.931 3.938 1.00 48.40 A C\nATOM 371 N ARG A 748 25.429 37.670 3.439 1.00 66.18 A N\nATOM 372 CA ARG A 748 26.741 38.168 3.020 1.00 88.68 A C\nATOM 373 C ARG A 748 26.890 37.940 1.518 1.00 83.15 A C\nATOM 374 O ARG A 748 26.540 36.871 1.007 1.00 58.47 A O\nATOM 375 CB ARG A 748 27.867 37.432 3.760 1.00 95.20 A C\nATOM 376 CG ARG A 748 27.684 37.308 5.267 1.00111.81 A C\nATOM 377 CD ARG A 748 28.485 38.345 6.036 1.00116.77 A C\nATOM 378 NE ARG A 748 28.166 38.317 7.463 1.00121.49 A N\nATOM 379 CZ ARG A 748 28.992 38.701 8.434 1.00124.58 A C\nATOM 380 NH1 ARG A 748 28.598 38.637 9.698 1.00118.79 A N\nATOM 381 NH2 ARG A 748 30.213 39.139 8.150 1.00121.87 A N\nATOM 382 N GLU A 749 27.406 38.949 0.821 1.00 98.46 A N\nATOM 383 CA GLU A 749 27.601 38.891 -0.630 1.00109.01 A C\nATOM 384 C GLU A 749 28.856 38.102 -1.017 1.00119.10 A C\nATOM 385 O GLU A 749 29.662 37.740 -0.156 1.00127.74 A O\nATOM 386 CB GLU A 749 27.675 40.307 -1.207 1.00107.94 A C\nATOM 387 CG GLU A 749 26.412 41.134 -1.012 1.00122.50 A C\nATOM 388 CD GLU A 749 26.530 42.544 -1.567 1.00131.75 A C\nATOM 389 OE1 GLU A 749 27.541 42.855 -2.234 1.00129.10 A O\nATOM 390 OE2 GLU A 749 25.601 43.347 -1.337 1.00141.68 A O\nATOM 391 N ALA A 750 29.008 37.836 -2.315 1.00115.00 A N\nATOM 392 CA ALA A 750 30.204 37.181 -2.856 1.00118.99 A C\nATOM 393 C ALA A 750 30.743 37.944 -4.068 1.00126.64 A C\nATOM 394 O ALA A 750 30.009 38.716 -4.692 1.00142.14 A O\nATOM 395 CB ALA A 750 29.900 35.736 -3.224 1.00111.74 A C\nATOM 396 N THR A 751 32.022 37.735 -4.391 1.00123.82 A N\nATOM 397 CA THR A 751 32.648 38.356 -5.569 1.00124.40 A C\nATOM 398 C THR A 751 32.044 37.774 -6.848 1.00124.78 A C\nATOM 399 O THR A 751 31.735 38.509 -7.791 1.00116.74 A O\nATOM 400 CB THR A 751 34.185 38.166 -5.588 1.00118.19 A C\nATOM 401 OG1 THR A 751 34.721 38.383 -4.277 1.00103.31 A O\nATOM 402 CG2 THR A 751 34.848 39.136 -6.573 1.00100.42 A C\nATOM 403 N SER A 752 31.885 36.451 -6.862 1.00121.20 A N\nATOM 404 CA SER A 752 31.194 35.752 -7.939 1.00135.31 A C\nATOM 405 C SER A 752 29.938 35.072 -7.380 1.00129.14 A C\nATOM 406 O SER A 752 29.976 33.894 -7.008 1.00125.03 A O\nATOM 407 CB SER A 752 32.123 34.735 -8.613 1.00131.46 A C\nATOM 408 OG SER A 752 31.457 34.039 -9.655 1.00119.19 A O\nATOM 409 N PRO A 753 28.819 35.821 -7.308 1.00118.58 A N\nATOM 410 CA PRO A 753 27.589 35.277 -6.740 1.00106.64 A C\nATOM 411 C PRO A 753 26.877 34.351 -7.720 1.00 97.42 A C\nATOM 412 O PRO A 753 27.150 34.390 -8.922 1.00 88.50 A O\nATOM 413 CB PRO A 753 26.730 36.526 -6.474 1.00107.50 A C\nATOM 414 CG PRO A 753 27.528 37.708 -6.938 1.00107.49 A C\nATOM 415 CD PRO A 753 28.618 37.187 -7.821 1.00102.77 A C\nATOM 416 N LYS A 754 25.976 33.523 -7.199 1.00 91.73 A N\nATOM 417 CA LYS A 754 25.143 32.653 -8.028 1.00 78.40 A C\nATOM 418 C LYS A 754 24.059 33.471 -8.747 1.00 72.59 A C\nATOM 419 O LYS A 754 23.679 34.553 -8.283 1.00 71.52 A O\nATOM 420 CB LYS A 754 24.516 31.548 -7.171 1.00 66.50 A C\nATOM 421 CG LYS A 754 25.522 30.572 -6.582 1.00 66.51 A C\nATOM 422 CD LYS A 754 24.844 29.511 -5.730 1.00 67.17 A C\nATOM 423 CE LYS A 754 25.850 28.490 -5.217 1.00 71.27 A C\nATOM 424 NZ LYS A 754 25.199 27.456 -4.367 1.00 72.05 A N\nATOM 425 N ALA A 755 23.582 32.965 -9.885 1.00 67.58 A N\nATOM 426 CA ALA A 755 22.470 33.596 -10.607 1.00 64.10 A C\nATOM 427 C ALA A 755 21.197 33.558 -9.757 1.00 59.06 A C\nATOM 428 O ALA A 755 21.026 32.662 -8.924 1.00 48.83 A O\nATOM 429 CB ALA A 755 22.241 32.908 -11.946 1.00 62.79 A C\nATOM 430 N ASN A 756 20.311 34.532 -9.961 1.00 55.32 A N\nATOM 431 CA ASN A 756 19.058 34.580 -9.210 1.00 57.65 A C\nATOM 432 C ASN A 756 18.246 33.282 -9.306 1.00 49.83 A C\nATOM 433 O ASN A 756 17.713 32.811 -8.305 1.00 52.47 A O\nATOM 434 CB ASN A 756 18.214 35.782 -9.636 1.00 61.10 A C\nATOM 435 CG ASN A 756 18.737 37.095 -9.070 1.00 65.60 A C\nATOM 436 OD1 ASN A 756 18.241 38.166 -9.417 1.00 66.39 A O\nATOM 437 ND2 ASN A 756 19.733 37.018 -8.188 1.00 62.03 A N\nATOM 438 N LYS A 757 18.188 32.693 -10.499 1.00 48.32 A N\nATOM 439 CA LYS A 757 17.363 31.496 -10.707 1.00 53.97 A C\nATOM 440 C LYS A 757 17.885 30.303 -9.916 1.00 52.23 A C\nATOM 441 O LYS A 757 17.101 29.474 -9.457 1.00 38.94 A O\nATOM 442 CB LYS A 757 17.178 31.163 -12.198 1.00 57.10 A C\nATOM 443 CG LYS A 757 18.445 30.784 -12.949 1.00 62.89 A C\nATOM 444 CD LYS A 757 18.134 30.400 -14.385 1.00 67.24 A C\nATOM 445 CE LYS A 757 19.369 29.866 -15.088 1.00 78.98 A C\nATOM 446 NZ LYS A 757 19.072 29.478 -16.495 1.00 98.58 A N\nATOM 447 N GLU A 758 19.205 30.237 -9.731 1.00 41.71 A N\nATOM 448 CA GLU A 758 19.816 29.184 -8.921 1.00 45.36 A C\nATOM 449 C GLU A 758 19.512 29.391 -7.426 1.00 45.14 A C\nATOM 450 O GLU A 758 19.180 28.437 -6.706 1.00 43.16 A O\nATOM 451 CB GLU A 758 21.327 29.142 -9.166 1.00 56.18 A C\nATOM 452 CG GLU A 758 22.010 27.873 -8.669 1.00 74.96 A C\nATOM 453 CD GLU A 758 23.509 27.857 -8.933 1.00 89.13 A C\nATOM 454 OE1 GLU A 758 24.235 27.159 -8.193 1.00109.33 A O\nATOM 455 OE2 GLU A 758 23.968 28.536 -9.878 1.00 81.56 A O\nATOM 456 N ILE A 759 19.643 30.638 -6.971 1.00 38.74 A N\nATOM 457 CA ILE A 759 19.234 31.052 -5.622 1.00 40.45 A C\nATOM 458 C ILE A 759 17.742 30.767 -5.383 1.00 37.42 A C\nATOM 459 O ILE A 759 17.347 30.206 -4.353 1.00 36.66 A O\nATOM 460 CB ILE A 759 19.533 32.554 -5.393 1.00 43.35 A C\nATOM 461 CG1 ILE A 759 21.053 32.762 -5.243 1.00 47.56 A C\nATOM 462 CG2 ILE A 759 18.767 33.078 -4.186 1.00 43.77 A C\nATOM 463 CD1 ILE A 759 21.516 34.207 -5.124 1.00 44.09 A C\nATOM 464 N LEU A 760 16.923 31.151 -6.340 1.00 32.59 A N\nATOM 465 CA LEU A 760 15.477 30.871 -6.229 1.00 44.54 A C\nATOM 466 C LEU A 760 15.206 29.372 -6.123 1.00 43.78 A C\nATOM 467 O LEU A 760 14.351 28.949 -5.341 1.00 38.07 A O\nATOM 468 CB LEU A 760 14.701 31.506 -7.382 1.00 37.58 A C\nATOM 469 CG LEU A 760 14.663 33.030 -7.272 1.00 40.85 A C\nATOM 470 CD1 LEU A 760 14.118 33.694 -8.532 1.00 47.14 A C\nATOM 471 CD2 LEU A 760 13.882 33.459 -6.040 1.00 39.46 A C\nATOM 472 N ASP A 761 15.966 28.576 -6.874 1.00 37.26 A N\nATOM 473 CA ASP A 761 15.788 27.126 -6.889 1.00 39.19 A C\nATOM 474 C ASP A 761 16.110 26.500 -5.525 1.00 46.00 A C\nATOM 475 O ASP A 761 15.381 25.626 -5.051 1.00 41.12 A O\nATOM 476 CB ASP A 761 16.625 26.501 -8.020 1.00 44.22 A C\nATOM 477 CG ASP A 761 16.461 24.979 -8.126 1.00 58.33 A C\nATOM 478 OD1 ASP A 761 17.492 24.284 -8.152 1.00 49.31 A O\nATOM 479 OD2 ASP A 761 15.316 24.470 -8.200 1.00 47.84 A O\nATOM 480 N GLU A 762 17.191 26.954 -4.888 1.00 36.07 A N\nATOM 481 CA GLU A 762 17.560 26.438 -3.576 1.00 34.81 A C\nATOM 482 C GLU A 762 16.600 26.948 -2.508 1.00 32.41 A C\nATOM 483 O GLU A 762 16.215 26.209 -1.596 1.00 36.70 A O\nATOM 484 CB GLU A 762 19.029 26.775 -3.256 1.00 39.98 A C\nATOM 485 CG GLU A 762 19.960 26.152 -4.283 1.00 46.30 A C\nATOM 486 CD GLU A 762 21.394 25.995 -3.807 1.00 67.31 A C\nATOM 487 OE1 GLU A 762 22.255 25.711 -4.666 1.00 61.02 A O\nATOM 488 OE2 GLU A 762 21.667 26.144 -2.592 1.00 60.07 A O\nATOM 489 N ALA A 763 16.161 28.196 -2.654 1.00 31.03 A N\nATOM 490 CA ALA A 763 15.258 28.767 -1.667 1.00 30.15 A C\nATOM 491 C ALA A 763 13.909 28.042 -1.718 1.00 31.96 A C\nATOM 492 O ALA A 763 13.237 27.930 -0.700 1.00 32.14 A O\nATOM 493 CB ALA A 763 15.065 30.253 -1.887 1.00 31.59 A C\nATOM 494 N TYR A 764 13.541 27.551 -2.895 1.00 28.99 A N\nATOM 495 CA TYR A 764 12.229 26.863 -3.044 1.00 29.83 A C\nATOM 496 C TYR A 764 12.189 25.668 -2.112 1.00 28.72 A C\nATOM 497 O TYR A 764 11.184 25.426 -1.469 1.00 29.34 A O\nATOM 498 CB TYR A 764 11.968 26.408 -4.481 1.00 30.91 A C\nATOM 499 CG TYR A 764 10.617 25.705 -4.651 1.00 30.27 A C\nATOM 500 CD1 TYR A 764 10.525 24.314 -4.685 1.00 29.95 A C\nATOM 501 CD2 TYR A 764 9.448 26.447 -4.774 1.00 31.11 A C\nATOM 502 CE1 TYR A 764 9.299 23.683 -4.830 1.00 36.51 A C\nATOM 503 CE2 TYR A 764 8.212 25.822 -4.915 1.00 34.02 A C\nATOM 504 CZ TYR A 764 8.153 24.440 -4.943 1.00 31.33 A C\nATOM 505 OH TYR A 764 6.926 23.819 -5.090 1.00 36.39 A O\nATOM 506 N VAL A 765 13.308 24.953 -1.983 1.00 30.36 A N\nATOM 507 CA VAL A 765 13.338 23.790 -1.106 1.00 30.00 A C\nATOM 508 C VAL A 765 13.144 24.241 0.339 1.00 28.48 A C\nATOM 509 O VAL A 765 12.510 23.540 1.135 1.00 28.46 A O\nATOM 510 CB VAL A 765 14.661 22.982 -1.249 1.00 34.35 A C\nATOM 511 CG1 VAL A 765 14.648 21.743 -0.361 1.00 37.76 A C\nATOM 512 CG2 VAL A 765 14.898 22.599 -2.708 1.00 39.05 A C\nATOM 513 N MET A 766 13.685 25.407 0.687 1.00 26.60 A N\nATOM 514 CA MET A 766 13.558 25.938 2.055 1.00 27.20 A C\nATOM 515 C MET A 766 12.106 26.365 2.345 1.00 32.09 A C\nATOM 516 O MET A 766 11.637 26.292 3.487 1.00 34.54 A O\nATOM 517 CB MET A 766 14.561 27.094 2.308 1.00 31.52 A C\nATOM 518 CG MET A 766 16.040 26.737 2.138 1.00 36.39 A C\nATOM 519 SD MET A 766 16.954 28.289 1.995 1.00 35.31 A S\nATOM 520 CE MET A 766 18.693 27.772 1.971 1.00 29.41 A C\nATOM 521 N ALA A 767 11.388 26.768 1.304 1.00 25.55 A N\nATOM 522 CA ALA A 767 9.955 27.147 1.461 1.00 28.35 A C\nATOM 523 C ALA A 767 8.996 25.957 1.419 1.00 30.50 A C\nATOM 524 O ALA A 767 7.810 26.051 1.829 1.00 35.24 A O\nATOM 525 CB ALA A 767 9.587 28.141 0.385 1.00 27.82 A C\nATOM 526 N SER A 768 9.486 24.841 0.921 1.00 33.39 A N\nATOM 527 CA SER A 768 8.674 23.650 0.666 1.00 36.62 A C\nATOM 528 C SER A 768 8.537 22.757 1.916 1.00 35.31 A C\nATOM 529 O SER A 768 7.706 21.837 1.944 1.00 41.31 A O\nATOM 530 CB SER A 768 9.315 22.842 -0.478 1.00 30.34 A C\nATOM 531 OG SER A 768 10.337 22.007 0.056 1.00 43.37 A O\nATOM 532 N VAL A 769 9.337 23.017 2.949 1.00 29.89 A N\nATOM 533 CA VAL A 769 9.346 22.117 4.112 1.00 31.80 A C\nATOM 534 C VAL A 769 8.076 22.226 4.967 1.00 35.73 A C\nATOM 535 O VAL A 769 7.587 23.322 5.240 1.00 40.87 A O\nATOM 536 CB VAL A 769 10.608 22.267 4.970 1.00 36.09 A C\nATOM 537 CG1 VAL A 769 11.840 21.931 4.144 1.00 34.12 A C\nATOM 538 CG2 VAL A 769 10.721 23.677 5.517 1.00 42.89 A C\nATOM 539 N ASP A 770 7.546 21.080 5.369 1.00 31.99 A N\nATOM 540 CA ASP A 770 6.279 21.036 6.088 1.00 39.53 A C\nATOM 541 C ASP A 770 6.391 20.001 7.188 1.00 32.29 A C\nATOM 542 O ASP A 770 6.093 18.820 6.974 1.00 33.73 A O\nATOM 543 CB ASP A 770 5.126 20.706 5.120 1.00 36.58 A C\nATOM 544 CG ASP A 770 3.755 20.745 5.793 1.00 41.55 A C\nATOM 545 OD1 ASP A 770 3.591 21.464 6.803 1.00 41.43 A O\nATOM 546 OD2 ASP A 770 2.839 20.055 5.297 1.00 61.49 A O\nATOM 547 N ASN A 771 6.841 20.458 8.358 1.00 27.92 A N\nATOM 548 CA ASN A 771 7.056 19.600 9.515 1.00 28.79 A C\nATOM 549 C ASN A 771 7.004 20.473 10.767 1.00 28.51 A C\nATOM 550 O ASN A 771 7.492 21.615 10.753 1.00 32.33 A O\nATOM 551 CB ASN A 771 8.427 18.877 9.404 1.00 31.63 A C\nATOM 552 CG ASN A 771 8.711 17.968 10.593 1.00 32.66 A C\nATOM 553 OD1 ASN A 771 9.198 18.412 11.634 1.00 32.35 A O\nATOM 554 ND2 ASN A 771 8.412 16.685 10.439 1.00 31.99 A N\nATOM 555 N PRO A 772 6.419 19.947 11.868 1.00 36.96 A N\nATOM 556 CA PRO A 772 6.237 20.746 13.090 1.00 37.28 A C\nATOM 557 C PRO A 772 7.540 21.226 13.729 1.00 33.19 A C\nATOM 558 O PRO A 772 7.524 22.216 14.470 1.00 30.61 A O\nATOM 559 CB PRO A 772 5.540 19.773 14.045 1.00 44.95 A C\nATOM 560 CG PRO A 772 4.862 18.792 13.164 1.00 49.09 A C\nATOM 561 CD PRO A 772 5.749 18.635 11.972 1.00 36.80 A C\nATOM 562 N HIS A 773 8.647 20.524 13.463 1.00 32.01 A N\nATOM 563 CA HIS A 773 9.923 20.890 14.095 1.00 32.30 A C\nATOM 564 C HIS A 773 10.938 21.522 13.140 1.00 29.91 A C\nATOM 565 O HIS A 773 12.141 21.581 13.433 1.00 31.48 A O\nATOM 566 CB HIS A 773 10.501 19.683 14.866 1.00 30.06 A C\nATOM 567 CG HIS A 773 9.481 19.002 15.740 1.00 38.50 A C\nATOM 568 ND1 HIS A 773 8.923 19.607 16.850 1.00 35.97 A N\nATOM 569 CD2 HIS A 773 8.862 17.803 15.617 1.00 43.44 A C\nATOM 570 CE1 HIS A 773 8.045 18.787 17.401 1.00 35.79 A C\nATOM 571 NE2 HIS A 773 7.979 17.690 16.666 1.00 33.01 A N\nATOM 572 N VAL A 774 10.444 22.029 12.011 1.00 32.42 A N\nATOM 573 CA VAL A 774 11.292 22.713 11.029 1.00 31.78 A C\nATOM 574 C VAL A 774 10.590 24.023 10.638 1.00 31.70 A C\nATOM 575 O VAL A 774 9.410 24.021 10.272 1.00 33.83 A O\nATOM 576 CB VAL A 774 11.562 21.858 9.757 1.00 37.83 A C\nATOM 577 CG1 VAL A 774 12.584 22.547 8.868 1.00 28.77 A C\nATOM 578 CG2 VAL A 774 12.050 20.442 10.095 1.00 34.53 A C\nATOM 579 N CYS A 775 11.299 25.132 10.784 1.00 31.06 A N\nATOM 580 CA CYS A 775 10.867 26.411 10.246 1.00 32.97 A C\nATOM 581 C CYS A 775 10.813 26.400 8.725 1.00 31.14 A C\nATOM 582 O CYS A 775 11.570 25.660 8.057 1.00 35.80 A O\nATOM 583 CB CYS A 775 11.836 27.504 10.707 1.00 29.32 A C\nATOM 584 SG CYS A 775 11.781 27.780 12.482 1.00 36.31 A S\nATOM 585 N ARG A 776 9.959 27.240 8.152 1.00 27.88 A N\nATOM 586 CA ARG A 776 9.926 27.322 6.704 1.00 26.20 A C\nATOM 587 C ARG A 776 10.059 28.744 6.212 1.00 25.09 A C\nATOM 588 O ARG A 776 9.700 29.688 6.895 1.00 28.55 A O\nATOM 589 CB ARG A 776 8.682 26.632 6.126 1.00 36.86 A C\nATOM 590 CG ARG A 776 7.473 27.513 6.073 1.00 39.62 A C\nATOM 591 CD ARG A 776 6.435 26.936 5.109 1.00 54.28 A C\nATOM 592 NE ARG A 776 5.496 27.982 4.720 1.00 51.59 A N\nATOM 593 CZ ARG A 776 5.521 28.662 3.573 1.00 56.49 A C\nATOM 594 NH1 ARG A 776 6.423 28.405 2.636 1.00 45.85 A N\nATOM 595 NH2 ARG A 776 4.607 29.596 3.351 1.00 62.64 A N\nATOM 596 N LEU A 777 10.660 28.874 5.042 1.00 32.82 A N\nATOM 597 CA LEU A 777 10.839 30.155 4.397 1.00 39.54 A C\nATOM 598 C LEU A 777 9.481 30.608 3.865 1.00 41.12 A C\nATOM 599 O LEU A 777 8.752 29.829 3.249 1.00 36.46 A O\nATOM 600 CB LEU A 777 11.873 30.008 3.284 1.00 37.75 A C\nATOM 601 CG LEU A 777 12.599 31.245 2.783 1.00 41.91 A C\nATOM 602 CD1 LEU A 777 13.269 31.938 3.962 1.00 35.23 A C\nATOM 603 CD2 LEU A 777 13.619 30.839 1.737 1.00 39.23 A C\nATOM 604 N LEU A 778 9.106 31.841 4.179 1.00 35.56 A N\nATOM 605 CA LEU A 778 7.850 32.407 3.671 1.00 37.08 A C\nATOM 606 C LEU A 778 8.067 33.176 2.372 1.00 39.75 A C\nATOM 607 O LEU A 778 7.184 33.229 1.510 1.00 45.05 A O\nATOM 608 CB LEU A 778 7.251 33.354 4.706 1.00 33.02 A C\nATOM 609 CG LEU A 778 6.736 32.791 6.028 1.00 43.06 A C\nATOM 610 CD1 LEU A 778 6.379 33.930 6.967 1.00 41.81 A C\nATOM 611 CD2 LEU A 778 5.533 31.872 5.829 1.00 55.69 A C\nATOM 612 N GLY A 779 9.235 33.799 2.246 1.00 38.68 A N\nATOM 613 CA GLY A 779 9.483 34.706 1.147 1.00 38.09 A C\nATOM 614 C GLY A 779 10.944 35.031 0.929 1.00 34.62 A C\nATOM 615 O GLY A 779 11.816 34.682 1.729 1.00 34.55 A O\nATOM 616 N ILE A 780 11.206 35.696 -0.181 1.00 36.47 A N\nATOM 617 CA ILE A 780 12.549 36.078 -0.537 1.00 32.86 A C\nATOM 618 C ILE A 780 12.467 37.364 -1.342 1.00 37.56 A C\nATOM 619 O ILE A 780 11.461 37.641 -2.019 1.00 35.89 A O\nATOM 620 CB ILE A 780 13.271 34.933 -1.305 1.00 36.74 A C\nATOM 621 CG1 ILE A 780 14.757 35.226 -1.508 1.00 37.01 A C\nATOM 622 CG2 ILE A 780 12.566 34.586 -2.612 1.00 39.84 A C\nATOM 623 CD1 ILE A 780 15.542 34.015 -1.981 1.00 41.12 A C\nATOM 624 N CYS A 781 13.504 38.179 -1.218 1.00 34.22 A N\nATOM 625 CA CYS A 781 13.584 39.409 -1.968 1.00 39.58 A C\nATOM 626 C CYS A 781 15.008 39.513 -2.476 1.00 42.52 A C\nATOM 627 O CYS A 781 15.968 39.597 -1.696 1.00 42.31 A O\nATOM 628 CB CYS A 781 13.209 40.593 -1.091 1.00 42.05 A C\nATOM 629 SG CYS A 781 13.340 42.208 -1.900 1.00 52.46 A S\nATOM 630 N LEU A 782 15.137 39.460 -3.794 1.00 40.33 A N\nATOM 631 CA LEU A 782 16.427 39.615 -4.427 1.00 52.46 A C\nATOM 632 C LEU A 782 16.577 41.062 -4.912 1.00 57.91 A C\nATOM 633 O LEU A 782 15.686 41.607 -5.575 1.00 53.42 A O\nATOM 634 CB LEU A 782 16.593 38.602 -5.561 1.00 46.81 A C\nATOM 635 CG LEU A 782 16.440 37.118 -5.193 1.00 50.02 A C\nATOM 636 CD1 LEU A 782 16.409 36.255 -6.440 1.00 58.30 A C\nATOM 637 CD2 LEU A 782 17.535 36.643 -4.245 1.00 47.01 A C\nATOM 638 N THR A 783 17.681 41.688 -4.513 1.00 57.02 A N\nATOM 639 CA THR A 783 18.058 43.033 -4.953 1.00 57.87 A C\nATOM 640 C THR A 783 19.559 42.976 -5.243 1.00 56.07 A C\nATOM 641 O THR A 783 20.020 42.064 -5.932 1.00 68.18 A O\nATOM 642 CB THR A 783 17.787 44.109 -3.877 1.00 57.17 A C\nATOM 643 OG1 THR A 783 18.534 43.803 -2.690 1.00 63.32 A O\nATOM 644 CG2 THR A 783 16.297 44.223 -3.544 1.00 60.21 A C\nATOM 645 N SER A 784 20.317 43.931 -4.705 1.00 61.57 A N\nATOM 646 CA SER A 784 21.778 43.830 -4.658 1.00 62.64 A C\nATOM 647 C SER A 784 22.205 42.824 -3.584 1.00 66.71 A C\nATOM 648 O SER A 784 23.330 42.310 -3.611 1.00 73.57 A O\nATOM 649 CB SER A 784 22.413 45.198 -4.391 1.00 65.94 A C\nATOM 650 OG SER A 784 21.881 45.793 -3.219 1.00 77.36 A O\nATOM 651 N THR A 785 21.296 42.553 -2.644 1.00 56.80 A N\nATOM 652 CA THR A 785 21.494 41.540 -1.602 1.00 50.80 A C\nATOM 653 C THR A 785 20.393 40.478 -1.669 1.00 48.30 A C\nATOM 654 O THR A 785 19.331 40.704 -2.264 1.00 47.91 A O\nATOM 655 CB THR A 785 21.428 42.150 -0.184 1.00 51.80 A C\nATOM 656 OG1 THR A 785 20.089 42.598 0.080 1.00 49.48 A O\nATOM 657 CG2 THR A 785 22.410 43.311 -0.027 1.00 59.94 A C\nATOM 658 N VAL A 786 20.645 39.332 -1.039 1.00 46.00 A N\nATOM 659 CA VAL A 786 19.597 38.329 -0.826 1.00 38.67 A C\nATOM 660 C VAL A 786 18.979 38.517 0.553 1.00 36.32 A C\nATOM 661 O VAL A 786 19.693 38.530 1.546 1.00 39.63 A O\nATOM 662 CB VAL A 786 20.142 36.898 -0.953 1.00 38.01 A C\nATOM 663 CG1 VAL A 786 19.031 35.871 -0.729 1.00 48.90 A C\nATOM 664 CG2 VAL A 786 20.782 36.700 -2.320 1.00 48.03 A C\nATOM 665 N GLN A 787 17.653 38.626 0.610 1.00 36.69 A N\nATOM 666 CA GLN A 787 16.944 38.695 1.883 1.00 35.65 A C\nATOM 667 C GLN A 787 15.909 37.581 2.032 1.00 39.78 A C\nATOM 668 O GLN A 787 15.052 37.404 1.156 1.00 35.85 A O\nATOM 669 CB GLN A 787 16.259 40.049 2.058 1.00 38.83 A C\nATOM 670 CG GLN A 787 17.235 41.187 2.339 1.00 38.72 A C\nATOM 671 CD GLN A 787 16.536 42.518 2.516 1.00 42.16 A C\nATOM 672 OE1 GLN A 787 16.253 42.927 3.638 1.00 41.78 A O\nATOM 673 NE2 GLN A 787 16.248 43.197 1.412 1.00 43.91 A N\nATOM 674 N LEU A 788 15.995 36.856 3.148 1.00 33.94 A N\nATOM 675 CA LEU A 788 15.086 35.737 3.441 1.00 35.29 A C\nATOM 676 C LEU A 788 14.084 36.113 4.506 1.00 30.71 A C\nATOM 677 O LEU A 788 14.427 36.716 5.524 1.00 32.86 A O\nATOM 678 CB LEU A 788 15.887 34.523 3.909 1.00 32.95 A C\nATOM 679 CG LEU A 788 17.028 34.042 3.026 1.00 35.16 A C\nATOM 680 CD1 LEU A 788 17.745 32.897 3.724 1.00 34.86 A C\nATOM 681 CD2 LEU A 788 16.502 33.617 1.664 1.00 37.74 A C\nATOM 682 N ILE A 789 12.820 35.776 4.290 1.00 30.64 A N\nATOM 683 CA ILE A 789 11.799 36.205 5.231 1.00 28.88 A C\nATOM 684 C ILE A 789 11.097 34.984 5.799 1.00 25.85 A C\nATOM 685 O ILE A 789 10.735 34.081 5.056 1.00 33.02 A O\nATOM 686 CB ILE A 789 10.799 37.178 4.563 1.00 34.04 A C\nATOM 687 CG1 ILE A 789 11.507 38.480 4.147 1.00 37.69 A C\nATOM 688 CG2 ILE A 789 9.617 37.488 5.479 1.00 35.36 A C\nATOM 689 CD1 ILE A 789 12.058 38.438 2.739 1.00 38.70 A C\nATOM 690 N THR A 790 10.936 34.964 7.116 1.00 25.06 A N\nATOM 691 CA THR A 790 10.342 33.827 7.816 1.00 27.17 A C\nATOM 692 C THR A 790 9.494 34.315 8.999 1.00 29.00 A C\nATOM 693 O THR A 790 9.635 35.461 9.477 1.00 29.51 A O\nATOM 694 CB THR A 790 11.412 32.818 8.305 1.00 30.02 A C\nATOM 695 OG1 THR A 790 10.789 31.611 8.765 1.00 34.01 A O\nATOM 696 CG2 THR A 790 12.237 33.433 9.444 1.00 31.21 A C\nATOM 697 N GLN A 791 8.618 33.441 9.488 1.00 30.66 A N\nATOM 698 CA GLN A 791 7.785 33.807 10.630 1.00 36.46 A C\nATOM 699 C GLN A 791 8.674 34.148 11.824 1.00 34.02 A C\nATOM 700 O GLN A 791 9.592 33.396 12.152 1.00 33.64 A O\nATOM 701 CB GLN A 791 6.819 32.678 10.987 1.00 35.09 A C\nATOM 702 CG GLN A 791 5.969 32.941 12.226 1.00 43.19 A C\nATOM 703 CD GLN A 791 5.029 31.789 12.571 1.00 55.79 A C\nATOM 704 OE1 GLN A 791 5.093 30.712 11.975 1.00 52.44 A O\nATOM 705 NE2 GLN A 791 4.162 32.011 13.552 1.00 61.70 A N\nATOM 706 N LEU A 792 8.411 35.287 12.464 1.00 31.17 A N\nATOM 707 CA LEU A 792 9.174 35.661 13.656 1.00 33.99 A C\nATOM 708 C LEU A 792 8.850 34.728 14.811 1.00 43.25 A C\nATOM 709 O LEU A 792 7.684 34.452 15.080 1.00 34.41 A O\nATOM 710 CB LEU A 792 8.922 37.111 14.075 1.00 29.38 A C\nATOM 711 CG LEU A 792 9.671 37.595 15.317 1.00 33.72 A C\nATOM 712 CD1 LEU A 792 11.186 37.568 15.018 1.00 31.79 A C\nATOM 713 CD2 LEU A 792 9.205 38.962 15.810 1.00 33.47 A C\nATOM 714 N MET A 793 9.888 34.228 15.477 1.00 34.59 A N\nATOM 715 CA MET A 793 9.710 33.390 16.667 1.00 38.57 A C\nATOM 716 C MET A 793 10.133 34.232 17.866 1.00 35.33 A C\nATOM 717 O MET A 793 11.318 34.339 18.163 1.00 31.81 A O\nATOM 718 CB MET A 793 10.542 32.098 16.609 1.00 31.33 A C\nATOM 719 CG MET A 793 10.279 31.184 15.428 1.00 47.71 A C\nATOM 720 SD MET A 793 8.821 30.169 15.693 1.00 56.46 A S\nATOM 721 CE MET A 793 7.733 30.916 14.499 1.00 48.95 A C\nATOM 722 N PRO A 794 9.162 34.859 18.553 1.00 35.55 A N\nATOM 723 CA PRO A 794 9.545 35.860 19.543 1.00 30.76 A C\nATOM 724 C PRO A 794 9.986 35.307 20.884 1.00 28.26 A C\nATOM 725 O PRO A 794 10.447 36.072 21.701 1.00 34.35 A O\nATOM 726 CB PRO A 794 8.248 36.694 19.710 1.00 42.71 A C\nATOM 727 CG PRO A 794 7.172 35.699 19.470 1.00 43.64 A C\nATOM 728 CD PRO A 794 7.693 34.780 18.392 1.00 44.18 A C\nATOM 729 N PHE A 795 9.891 33.990 21.115 1.00 29.98 A N\nATOM 730 CA PHE A 795 10.526 33.422 22.310 1.00 33.66 A C\nATOM 731 C PHE A 795 12.029 33.222 22.148 1.00 31.23 A C\nATOM 732 O PHE A 795 12.724 32.956 23.132 1.00 37.68 A O\nATOM 733 CB PHE A 795 9.840 32.132 22.793 1.00 39.00 A C\nATOM 734 CG PHE A 795 8.409 32.336 23.205 1.00 47.26 A C\nATOM 735 CD1 PHE A 795 7.408 31.504 22.721 1.00 53.18 A C\nATOM 736 CD2 PHE A 795 8.058 33.381 24.059 1.00 58.22 A C\nATOM 737 CE1 PHE A 795 6.080 31.702 23.090 1.00 72.79 A C\nATOM 738 CE2 PHE A 795 6.734 33.585 24.431 1.00 64.24 A C\nATOM 739 CZ PHE A 795 5.742 32.745 23.944 1.00 67.83 A C\nATOM 740 N GLY A 796 12.521 33.370 20.915 1.00 32.03 A N\nATOM 741 CA GLY A 796 13.979 33.388 20.629 1.00 34.05 A C\nATOM 742 C GLY A 796 14.608 32.018 20.441 1.00 33.43 A C\nATOM 743 O GLY A 796 13.889 31.009 20.242 1.00 31.30 A O\nATOM 744 N CYS A 797 15.943 31.954 20.486 1.00 30.57 A N\nATOM 745 CA CYS A 797 16.586 30.652 20.281 1.00 29.37 A C\nATOM 746 C CYS A 797 16.668 29.805 21.550 1.00 30.71 A C\nATOM 747 O CYS A 797 16.623 30.314 22.695 1.00 30.01 A O\nATOM 748 CB CYS A 797 17.978 30.814 19.648 1.00 43.11 A C\nATOM 749 SG CYS A 797 19.123 31.656 20.730 1.00 58.13 A S\nATOM 750 N LEU A 798 16.791 28.495 21.342 1.00 35.30 A N\nATOM 751 CA LEU A 798 16.874 27.549 22.445 1.00 34.49 A C\nATOM 752 C LEU A 798 18.173 27.763 23.222 1.00 29.27 A C\nATOM 753 O LEU A 798 18.205 27.541 24.431 1.00 31.95 A O\nATOM 754 CB LEU A 798 16.769 26.092 21.946 1.00 28.13 A C\nATOM 755 CG LEU A 798 16.579 25.005 23.020 1.00 30.34 A C\nATOM 756 CD1 LEU A 798 15.398 25.294 23.961 1.00 34.84 A C\nATOM 757 CD2 LEU A 798 16.357 23.627 22.364 1.00 29.21 A C\nATOM 758 N LEU A 799 19.221 28.218 22.540 1.00 31.78 A N\nATOM 759 CA LEU A 799 20.484 28.489 23.226 1.00 30.68 A C\nATOM 760 C LEU A 799 20.288 29.581 24.284 1.00 32.64 A C\nATOM 761 O LEU A 799 20.748 29.461 25.421 1.00 31.25 A O\nATOM 762 CB LEU A 799 21.592 28.875 22.230 1.00 32.88 A C\nATOM 763 CG LEU A 799 22.929 29.276 22.874 1.00 31.32 A C\nATOM 764 CD1 LEU A 799 23.518 28.108 23.667 1.00 36.85 A C\nATOM 765 CD2 LEU A 799 23.967 29.769 21.868 1.00 36.94 A C\nATOM 766 N ASP A 800 19.583 30.643 23.912 1.00 32.68 A N\nATOM 767 CA ASP A 800 19.374 31.739 24.855 1.00 34.91 A C\nATOM 768 C ASP A 800 18.443 31.291 25.942 1.00 31.79 A C\nATOM 769 O ASP A 800 18.597 31.688 27.095 1.00 32.60 A O\nATOM 770 CB ASP A 800 18.845 32.992 24.160 1.00 34.98 A C\nATOM 771 CG ASP A 800 19.900 33.683 23.315 1.00 52.24 A C\nATOM 772 OD1 ASP A 800 19.513 34.368 22.349 1.00 55.86 A O\nATOM 773 OD2 ASP A 800 21.114 33.544 23.610 1.00 50.16 A O\nATOM 774 N TYR A 801 17.485 30.434 25.575 1.00 32.99 A N\nATOM 775 CA TYR A 801 16.480 29.942 26.513 1.00 37.10 A C\nATOM 776 C TYR A 801 17.077 29.074 27.614 1.00 36.24 A C\nATOM 777 O TYR A 801 16.769 29.274 28.794 1.00 36.20 A O\nATOM 778 CB TYR A 801 15.381 29.168 25.781 1.00 31.79 A C\nATOM 779 CG TYR A 801 14.195 28.833 26.648 1.00 40.70 A C\nATOM 780 CD1 TYR A 801 14.160 27.658 27.392 1.00 40.54 A C\nATOM 781 CD2 TYR A 801 13.087 29.703 26.717 1.00 40.28 A C\nATOM 782 CE1 TYR A 801 13.060 27.344 28.187 1.00 45.35 A C\nATOM 783 CE2 TYR A 801 11.985 29.402 27.512 1.00 47.53 A C\nATOM 784 CZ TYR A 801 11.979 28.223 28.241 1.00 48.21 A C\nATOM 785 OH TYR A 801 10.900 27.909 29.028 1.00 52.74 A O\nATOM 786 N VAL A 802 17.945 28.132 27.248 1.00 34.38 A N\nATOM 787 CA VAL A 802 18.619 27.317 28.275 1.00 32.90 A C\nATOM 788 C VAL A 802 19.560 28.099 29.203 1.00 35.29 A C\nATOM 789 O VAL A 802 19.650 27.794 30.384 1.00 36.18 A O\nATOM 790 CB VAL A 802 19.318 26.049 27.707 1.00 35.68 A C\nATOM 791 CG1 VAL A 802 18.309 25.183 26.975 1.00 32.43 A C\nATOM 792 CG2 VAL A 802 20.491 26.388 26.799 1.00 30.24 A C\nATOM 793 N ARG A 803 20.273 29.077 28.652 1.00 35.21 A N\nATOM 794 CA ARG A 803 21.118 29.983 29.430 1.00 34.14 A C\nATOM 795 C ARG A 803 20.283 30.806 30.422 1.00 34.89 A C\nATOM 796 O ARG A 803 20.659 30.943 31.581 1.00 36.87 A O\nATOM 797 CB ARG A 803 21.882 30.923 28.493 1.00 37.80 A C\nATOM 798 CG ARG A 803 23.077 30.252 27.824 1.00 40.47 A C\nATOM 799 CD ARG A 803 23.626 31.102 26.693 1.00 37.81 A C\nATOM 800 NE ARG A 803 24.840 30.526 26.094 1.00 31.61 A N\nATOM 801 CZ ARG A 803 25.558 31.121 25.144 1.00 42.39 A C\nATOM 802 NH1 ARG A 803 25.187 32.304 24.666 1.00 40.81 A N\nATOM 803 NH2 ARG A 803 26.647 30.541 24.660 1.00 37.03 A N\nATOM 804 N GLU A 804 19.133 31.303 29.973 1.00 38.72 A N\nATOM 805 CA GLU A 804 18.271 32.145 30.822 1.00 41.32 A C\nATOM 806 C GLU A 804 17.514 31.355 31.902 1.00 49.15 A C\nATOM 807 O GLU A 804 17.378 31.812 33.048 1.00 42.48 A O\nATOM 808 CB GLU A 804 17.299 32.946 29.948 1.00 41.36 A C\nATOM 809 CG GLU A 804 16.339 33.862 30.708 1.00 59.06 A C\nATOM 810 CD GLU A 804 16.924 35.233 31.006 1.00 77.26 A C\nATOM 811 OE1 GLU A 804 18.167 35.388 30.997 1.00 77.65 A O\nATOM 812 OE2 GLU A 804 16.130 36.168 31.246 1.00 98.71 A O\nATOM 813 N HIS A 805 17.039 30.166 31.541 1.00 38.93 A N\nATOM 814 CA HIS A 805 16.138 29.400 32.401 1.00 43.34 A C\nATOM 815 C HIS A 805 16.748 28.177 33.068 1.00 43.35 A C\nATOM 816 O HIS A 805 16.020 27.342 33.600 1.00 51.79 A O\nATOM 817 CB HIS A 805 14.870 29.006 31.632 1.00 44.55 A C\nATOM 818 CG HIS A 805 14.083 30.182 31.156 1.00 52.86 A C\nATOM 819 ND1 HIS A 805 14.167 30.660 29.867 1.00 54.67 A N\nATOM 820 CD2 HIS A 805 13.232 31.007 31.809 1.00 55.38 A C\nATOM 821 CE1 HIS A 805 13.389 31.720 29.742 1.00 60.50 A C\nATOM 822 NE2 HIS A 805 12.809 31.950 30.905 1.00 62.29 A N\nATOM 823 N LYS A 806 18.074 28.090 33.066 1.00 44.74 A N\nATOM 824 CA LYS A 806 18.785 26.942 33.615 1.00 45.17 A C\nATOM 825 C LYS A 806 18.172 26.384 34.918 1.00 56.68 A C\nATOM 826 O LYS A 806 17.865 25.192 35.011 1.00 53.97 A O\nATOM 827 CB LYS A 806 20.268 27.288 33.806 1.00 43.12 A C\nATOM 828 CG LYS A 806 21.042 26.183 34.499 1.00 58.87 A C\nATOM 829 CD LYS A 806 22.491 26.560 34.763 1.00 64.56 A C\nATOM 830 CE LYS A 806 23.200 25.398 35.441 1.00 65.16 A C\nATOM 831 NZ LYS A 806 24.382 25.844 36.218 1.00 60.36 A N\nATOM 832 N ASP A 807 17.965 27.256 35.904 1.00 53.18 A N\nATOM 833 CA ASP A 807 17.482 26.843 37.231 1.00 56.78 A C\nATOM 834 C ASP A 807 16.028 26.323 37.271 1.00 63.01 A C\nATOM 835 O ASP A 807 15.553 25.851 38.313 1.00 56.81 A O\nATOM 836 CB ASP A 807 17.667 27.995 38.233 1.00 62.76 A C\nATOM 837 CG ASP A 807 19.124 28.431 38.363 1.00 73.79 A C\nATOM 838 OD1 ASP A 807 20.027 27.618 38.050 1.00 68.87 A O\nATOM 839 OD2 ASP A 807 19.366 29.586 38.782 1.00 75.03 A O\nATOM 840 N ASN A 808 15.330 26.396 36.142 1.00 45.89 A N\nATOM 841 CA ASN A 808 13.943 25.914 36.067 1.00 56.29 A C\nATOM 842 C ASN A 808 13.695 24.837 35.025 1.00 52.02 A C\nATOM 843 O ASN A 808 12.554 24.400 34.845 1.00 49.29 A O\nATOM 844 CB ASN A 808 12.980 27.078 35.838 1.00 48.40 A C\nATOM 845 CG ASN A 808 12.826 27.946 37.065 1.00 62.63 A C\nATOM 846 OD1 ASN A 808 12.477 27.461 38.144 1.00 73.28 A O\nATOM 847 ND2 ASN A 808 13.085 29.238 36.909 1.00 61.06 A N\nATOM 848 N ILE A 809 14.753 24.416 34.339 1.00 48.57 A N\nATOM 849 CA ILE A 809 14.637 23.400 33.288 1.00 41.03 A C\nATOM 850 C ILE A 809 14.874 21.999 33.849 1.00 45.86 A C\nATOM 851 O ILE A 809 15.958 21.694 34.351 1.00 41.10 A O\nATOM 852 CB ILE A 809 15.604 23.686 32.115 1.00 41.13 A C\nATOM 853 CG1 ILE A 809 15.190 24.972 31.390 1.00 35.35 A C\nATOM 854 CG2 ILE A 809 15.645 22.510 31.144 1.00 38.57 A C\nATOM 855 CD1 ILE A 809 16.272 25.545 30.484 1.00 34.81 A C\nATOM 856 N GLY A 810 13.852 21.151 33.736 1.00 42.20 A N\nATOM 857 CA GLY A 810 13.925 19.761 34.180 1.00 45.43 A C\nATOM 858 C GLY A 810 14.296 18.770 33.086 1.00 40.55 A C\nATOM 859 O GLY A 810 14.349 19.116 31.901 1.00 40.46 A O\nATOM 860 N SER A 811 14.534 17.525 33.485 1.00 36.70 A N\nATOM 861 CA SER A 811 15.009 16.508 32.567 1.00 39.63 A C\nATOM 862 C SER A 811 14.044 16.236 31.431 1.00 40.65 A C\nATOM 863 O SER A 811 14.482 15.944 30.322 1.00 35.55 A O\nATOM 864 CB SER A 811 15.310 15.211 33.314 1.00 42.84 A C\nATOM 865 OG SER A 811 14.205 14.860 34.128 1.00 46.09 A O\nATOM 866 N GLN A 812 12.738 16.306 31.721 1.00 36.00 A N\nATOM 867 CA GLN A 812 11.706 16.021 30.737 1.00 37.19 A C\nATOM 868 C GLN A 812 11.785 16.967 29.549 1.00 36.52 A C\nATOM 869 O GLN A 812 11.662 16.540 28.397 1.00 33.95 A O\nATOM 870 CB GLN A 812 10.313 16.118 31.379 1.00 42.80 A C\nATOM 871 CG GLN A 812 9.171 15.675 30.473 1.00 41.78 A C\nATOM 872 CD GLN A 812 9.182 14.179 30.210 1.00 46.95 A C\nATOM 873 OE1 GLN A 812 8.750 13.390 31.044 1.00 44.42 A O\nATOM 874 NE2 GLN A 812 9.675 13.785 29.044 1.00 42.08 A N\nATOM 875 N TYR A 813 11.963 18.254 29.832 1.00 32.34 A N\nATOM 876 CA TYR A 813 12.030 19.240 28.771 1.00 32.29 A C\nATOM 877 C TYR A 813 13.266 19.034 27.908 1.00 31.16 A C\nATOM 878 O TYR A 813 13.163 19.089 26.680 1.00 29.68 A O\nATOM 879 CB TYR A 813 12.024 20.652 29.344 1.00 38.14 A C\nATOM 880 CG TYR A 813 10.622 21.155 29.638 1.00 51.63 A C\nATOM 881 CD1 TYR A 813 9.906 21.869 28.679 1.00 54.26 A C\nATOM 882 CD2 TYR A 813 10.009 20.895 30.864 1.00 53.00 A C\nATOM 883 CE1 TYR A 813 8.622 22.329 28.940 1.00 68.44 A C\nATOM 884 CE2 TYR A 813 8.726 21.352 31.135 1.00 63.66 A C\nATOM 885 CZ TYR A 813 8.039 22.066 30.169 1.00 71.43 A C\nATOM 886 OH TYR A 813 6.767 22.523 30.430 1.00 76.05 A O\nATOM 887 N LEU A 814 14.420 18.807 28.549 1.00 36.58 A N\nATOM 888 CA LEU A 814 15.674 18.661 27.821 1.00 30.86 A C\nATOM 889 C LEU A 814 15.637 17.463 26.892 1.00 35.35 A C\nATOM 890 O LEU A 814 16.056 17.551 25.749 1.00 32.61 A O\nATOM 891 CB LEU A 814 16.871 18.486 28.781 1.00 34.36 A C\nATOM 892 CG LEU A 814 17.315 19.756 29.502 1.00 32.88 A C\nATOM 893 CD1 LEU A 814 18.045 19.417 30.796 1.00 31.09 A C\nATOM 894 CD2 LEU A 814 18.149 20.612 28.556 1.00 31.70 A C\nATOM 895 N LEU A 815 15.127 16.340 27.389 1.00 32.49 A N\nATOM 896 CA LEU A 815 15.018 15.148 26.557 1.00 32.42 A C\nATOM 897 C LEU A 815 13.996 15.297 25.445 1.00 28.76 A C\nATOM 898 O LEU A 815 14.208 14.802 24.337 1.00 26.06 A O\nATOM 899 CB LEU A 815 14.741 13.911 27.415 1.00 29.83 A C\nATOM 900 CG LEU A 815 15.915 13.501 28.312 1.00 33.92 A C\nATOM 901 CD1 LEU A 815 15.462 12.483 29.345 1.00 36.17 A C\nATOM 902 CD2 LEU A 815 17.080 12.941 27.508 1.00 37.71 A C\nATOM 903 N ASN A 816 12.867 15.947 25.736 1.00 30.63 A N\nATOM 904 CA ASN A 816 11.881 16.223 24.681 1.00 31.65 A C\nATOM 905 C ASN A 816 12.464 17.122 23.582 1.00 28.45 A C\nATOM 906 O ASN A 816 12.242 16.892 22.404 1.00 28.56 A O\nATOM 907 CB ASN A 816 10.589 16.848 25.249 1.00 31.15 A C\nATOM 908 CG ASN A 816 9.707 15.839 25.984 1.00 41.85 A C\nATOM 909 OD1 ASN A 816 9.945 14.631 25.965 1.00 44.46 A O\nATOM 910 ND2 ASN A 816 8.653 16.349 26.627 1.00 44.28 A N\nATOM 911 N TRP A 817 13.245 18.122 23.953 1.00 31.52 A N\nATOM 912 CA TRP A 817 13.885 18.918 22.908 1.00 34.10 A C\nATOM 913 C TRP A 817 14.764 18.075 21.997 1.00 28.46 A C\nATOM 914 O TRP A 817 14.776 18.295 20.785 1.00 27.78 A O\nATOM 915 CB TRP A 817 14.656 20.106 23.455 1.00 35.22 A C\nATOM 916 CG TRP A 817 13.763 21.120 24.175 1.00 35.48 A C\nATOM 917 CD1 TRP A 817 12.435 21.414 23.920 1.00 38.29 A C\nATOM 918 CD2 TRP A 817 14.147 21.925 25.286 1.00 33.22 A C\nATOM 919 NE1 TRP A 817 11.996 22.373 24.796 1.00 34.21 A N\nATOM 920 CE2 TRP A 817 13.019 22.700 25.653 1.00 42.26 A C\nATOM 921 CE3 TRP A 817 15.343 22.066 26.017 1.00 35.06 A C\nATOM 922 CZ2 TRP A 817 13.048 23.613 26.725 1.00 36.27 A C\nATOM 923 CZ3 TRP A 817 15.376 22.974 27.084 1.00 37.42 A C\nATOM 924 CH2 TRP A 817 14.226 23.738 27.424 1.00 39.45 A C\nATOM 925 N CYS A 818 15.495 17.121 22.578 1.00 31.30 A N\nATOM 926 CA CYS A 818 16.398 16.272 21.797 1.00 28.29 A C\nATOM 927 C CYS A 818 15.629 15.435 20.803 1.00 27.53 A C\nATOM 928 O CYS A 818 16.079 15.239 19.659 1.00 24.60 A O\nATOM 929 CB CYS A 818 17.216 15.373 22.712 1.00 30.70 A C\nATOM 930 SG CYS A 818 18.371 16.323 23.741 1.00 32.48 A S\nATOM 931 N VAL A 819 14.447 14.962 21.226 1.00 29.56 A N\nATOM 932 CA VAL A 819 13.585 14.184 20.330 1.00 26.87 A C\nATOM 933 C VAL A 819 13.133 15.070 19.189 1.00 22.48 A C\nATOM 934 O VAL A 819 13.221 14.688 18.026 1.00 27.83 A O\nATOM 935 CB VAL A 819 12.334 13.601 21.046 1.00 30.60 A C\nATOM 936 CG1 VAL A 819 11.386 12.992 20.031 1.00 33.23 A C\nATOM 937 CG2 VAL A 819 12.751 12.531 22.052 1.00 33.03 A C\nATOM 938 N GLN A 820 12.588 16.240 19.538 1.00 25.20 A N\nATOM 939 CA GLN A 820 12.071 17.161 18.544 1.00 24.15 A C\nATOM 940 C GLN A 820 13.084 17.584 17.506 1.00 28.99 A C\nATOM 941 O GLN A 820 12.771 17.653 16.320 1.00 26.26 A O\nATOM 942 CB GLN A 820 11.485 18.387 19.236 1.00 30.21 A C\nATOM 943 CG GLN A 820 10.167 18.044 19.948 1.00 29.63 A C\nATOM 944 CD GLN A 820 9.625 19.192 20.778 1.00 40.17 A C\nATOM 945 OE1 GLN A 820 10.012 20.344 20.586 1.00 38.95 A O\nATOM 946 NE2 GLN A 820 8.715 18.876 21.719 1.00 39.16 A N\nATOM 947 N ILE A 821 14.286 17.887 17.970 1.00 26.92 A N\nATOM 948 CA ILE A 821 15.378 18.243 17.044 1.00 27.15 A C\nATOM 949 C ILE A 821 15.708 17.057 16.121 1.00 21.32 A C\nATOM 950 O ILE A 821 15.835 17.221 14.917 1.00 22.85 A O\nATOM 951 CB ILE A 821 16.633 18.777 17.769 1.00 28.62 A C\nATOM 952 CG1 ILE A 821 16.328 20.096 18.516 1.00 25.26 A C\nATOM 953 CG2 ILE A 821 17.749 18.986 16.749 1.00 24.04 A C\nATOM 954 CD1 ILE A 821 17.358 20.475 19.579 1.00 24.33 A C\nATOM 955 N ALA A 822 15.776 15.855 16.678 1.00 23.15 A N\nATOM 956 CA ALA A 822 16.024 14.676 15.861 1.00 26.29 A C\nATOM 957 C ALA A 822 14.870 14.421 14.888 1.00 22.85 A C\nATOM 958 O ALA A 822 15.078 14.004 13.766 1.00 22.39 A O\nATOM 959 CB ALA A 822 16.303 13.459 16.738 1.00 32.12 A C\nATOM 960 N LYS A 823 13.620 14.706 15.281 1.00 22.94 A N\nATOM 961 CA LYS A 823 12.570 14.518 14.276 1.00 24.82 A C\nATOM 962 C LYS A 823 12.712 15.503 13.100 1.00 23.26 A C\nATOM 963 O LYS A 823 12.557 15.124 11.928 1.00 26.11 A O\nATOM 964 CB LYS A 823 11.183 14.694 14.927 1.00 22.51 A C\nATOM 965 CG LYS A 823 10.779 13.603 15.894 1.00 28.59 A C\nATOM 966 CD LYS A 823 9.395 13.859 16.515 1.00 31.72 A C\nATOM 967 CE LYS A 823 9.078 12.757 17.512 1.00 37.15 A C\nATOM 968 NZ LYS A 823 7.670 12.819 18.034 1.00 38.50 A N\nATOM 969 N GLY A 824 12.985 16.775 13.391 1.00 25.36 A N\nATOM 970 CA GLY A 824 13.145 17.759 12.309 1.00 29.39 A C\nATOM 971 C GLY A 824 14.330 17.419 11.403 1.00 26.12 A C\nATOM 972 O GLY A 824 14.287 17.590 10.179 1.00 24.27 A O\nATOM 973 N MET A 825 15.416 16.956 12.009 1.00 27.53 A N\nATOM 974 CA MET A 825 16.585 16.546 11.189 1.00 24.74 A C\nATOM 975 C MET A 825 16.271 15.293 10.348 1.00 23.11 A C\nATOM 976 O MET A 825 16.627 15.224 9.171 1.00 25.98 A O\nATOM 977 CB MET A 825 17.820 16.335 12.068 1.00 26.81 A C\nATOM 978 CG MET A 825 18.301 17.619 12.738 1.00 28.15 A C\nATOM 979 SD MET A 825 18.784 18.939 11.613 1.00 28.88 A S\nATOM 980 CE MET A 825 20.287 18.281 10.877 1.00 27.33 A C\nATOM 981 N ASN A 826 15.517 14.352 10.905 1.00 27.36 A N\nATOM 982 CA ASN A 826 15.105 13.212 10.109 1.00 26.66 A C\nATOM 983 C ASN A 826 14.194 13.641 8.933 1.00 24.20 A C\nATOM 984 O ASN A 826 14.274 13.071 7.825 1.00 22.04 A O\nATOM 985 CB ASN A 826 14.425 12.149 10.976 1.00 26.04 A C\nATOM 986 CG ASN A 826 14.052 10.912 10.187 1.00 28.55 A C\nATOM 987 OD1 ASN A 826 14.915 10.179 9.684 1.00 27.71 A O\nATOM 988 ND2 ASN A 826 12.746 10.665 10.078 1.00 31.03 A N\nATOM 989 N TYR A 827 13.365 14.662 9.159 1.00 30.63 A N\nATOM 990 CA TYR A 827 12.519 15.203 8.080 1.00 29.94 A C\nATOM 991 C TYR A 827 13.389 15.835 7.001 1.00 30.42 A C\nATOM 992 O TYR A 827 13.182 15.591 5.813 1.00 26.26 A O\nATOM 993 CB TYR A 827 11.488 16.219 8.608 1.00 27.76 A C\nATOM 994 CG TYR A 827 10.671 16.810 7.495 1.00 26.46 A C\nATOM 995 CD1 TYR A 827 9.442 16.223 7.089 1.00 28.24 A C\nATOM 996 CD2 TYR A 827 11.074 17.986 6.891 1.00 26.58 A C\nATOM 997 CE1 TYR A 827 8.711 16.792 6.051 1.00 24.43 A C\nATOM 998 CE2 TYR A 827 10.380 18.533 5.846 1.00 24.77 A C\nATOM 999 CZ TYR A 827 9.154 17.955 5.472 1.00 29.96 A C\nATOM 1000 OH TYR A 827 8.510 18.524 4.443 1.00 28.47 A O\nATOM 1001 N LEU A 828 14.400 16.619 7.395 1.00 28.36 A N\nATOM 1002 CA LEU A 828 15.313 17.165 6.391 1.00 30.91 A C\nATOM 1003 C LEU A 828 16.033 16.056 5.597 1.00 25.76 A C\nATOM 1004 O LEU A 828 16.242 16.188 4.400 1.00 24.44 A O\nATOM 1005 CB LEU A 828 16.298 18.149 7.029 1.00 24.38 A C\nATOM 1006 CG LEU A 828 15.708 19.448 7.601 1.00 26.71 A C\nATOM 1007 CD1 LEU A 828 16.776 20.314 8.270 1.00 34.46 A C\nATOM 1008 CD2 LEU A 828 15.025 20.236 6.478 1.00 32.58 A C\nATOM 1009 N GLU A 829 16.362 14.944 6.253 1.00 26.25 A N\nATOM 1010 CA GLU A 829 17.037 13.848 5.551 1.00 25.11 A C\nATOM 1011 C GLU A 829 16.085 13.197 4.524 1.00 28.25 A C\nATOM 1012 O GLU A 829 16.466 12.860 3.407 1.00 26.58 A O\nATOM 1013 CB GLU A 829 17.688 12.862 6.540 1.00 24.51 A C\nATOM 1014 CG GLU A 829 18.425 11.676 5.898 1.00 30.84 A C\nATOM 1015 CD GLU A 829 19.136 10.739 6.887 1.00 29.05 A C\nATOM 1016 OE1 GLU A 829 19.042 10.932 8.126 1.00 33.17 A O\nATOM 1017 OE2 GLU A 829 19.758 9.762 6.413 1.00 25.79 A O\nATOM 1018 N ASP A 830 14.822 13.067 4.895 1.00 28.69 A N\nATOM 1019 CA ASP A 830 13.805 12.642 3.916 1.00 32.95 A C\nATOM 1020 C ASP A 830 13.687 13.610 2.727 1.00 30.22 A C\nATOM 1021 O ASP A 830 13.474 13.181 1.591 1.00 31.90 A O\nATOM 1022 CB ASP A 830 12.453 12.404 4.600 1.00 30.71 A C\nATOM 1023 CG ASP A 830 12.429 11.120 5.445 1.00 33.56 A C\nATOM 1024 OD1 ASP A 830 11.726 11.097 6.469 1.00 33.94 A O\nATOM 1025 OD2 ASP A 830 13.131 10.142 5.116 1.00 34.53 A O\nATOM 1026 N ARG A 831 13.844 14.905 2.985 1.00 24.69 A N\nATOM 1027 CA ARG A 831 13.849 15.901 1.922 1.00 27.76 A C\nATOM 1028 C ARG A 831 15.213 15.968 1.207 1.00 30.75 A C\nATOM 1029 O ARG A 831 15.390 16.755 0.314 1.00 33.68 A O\nATOM 1030 CB ARG A 831 13.443 17.294 2.460 1.00 31.23 A C\nATOM 1031 CG ARG A 831 11.941 17.456 2.717 1.00 48.98 A C\nATOM 1032 CD ARG A 831 11.132 17.048 1.486 1.00 54.64 A C\nATOM 1033 NE ARG A 831 9.727 17.486 1.420 1.00 61.13 A N\nATOM 1034 CZ ARG A 831 9.329 18.755 1.320 1.00 57.98 A C\nATOM 1035 NH1 ARG A 831 8.030 19.054 1.222 1.00 43.34 A N\nATOM 1036 NH2 ARG A 831 10.224 19.734 1.332 1.00 75.24 A N\nATOM 1037 N ARG A 832 16.169 15.134 1.608 1.00 32.01 A N\nATOM 1038 CA ARG A 832 17.523 15.181 0.987 1.00 25.88 A C\nATOM 1039 C ARG A 832 18.165 16.581 1.055 1.00 26.82 A C\nATOM 1040 O ARG A 832 18.870 17.014 0.144 1.00 39.99 A O\nATOM 1041 CB ARG A 832 17.481 14.595 -0.449 1.00 26.75 A C\nATOM 1042 CG ARG A 832 16.852 13.203 -0.493 1.00 38.69 A C\nATOM 1043 CD ARG A 832 16.749 12.615 -1.901 1.00 44.66 A C\nATOM 1044 NE ARG A 832 18.060 12.375 -2.490 1.00 43.81 A N\nATOM 1045 CZ ARG A 832 18.292 12.142 -3.782 1.00 59.18 A C\nATOM 1046 NH1 ARG A 832 19.539 11.932 -4.198 1.00 65.97 A N\nATOM 1047 NH2 ARG A 832 17.295 12.120 -4.663 1.00 52.24 A N\nATOM 1048 N LEU A 833 17.972 17.251 2.186 1.00 27.81 A N\nATOM 1049 CA LEU A 833 18.510 18.577 2.418 1.00 34.21 A C\nATOM 1050 C LEU A 833 19.449 18.523 3.624 1.00 34.74 A C\nATOM 1051 O LEU A 833 18.999 18.429 4.771 1.00 30.53 A O\nATOM 1052 CB LEU A 833 17.364 19.579 2.657 1.00 34.42 A C\nATOM 1053 CG LEU A 833 17.613 21.095 2.539 1.00 38.35 A C\nATOM 1054 CD1 LEU A 833 16.355 21.860 2.907 1.00 47.96 A C\nATOM 1055 CD2 LEU A 833 18.768 21.594 3.393 1.00 52.23 A C\nATOM 1056 N VAL A 834 20.755 18.551 3.363 1.00 26.72 A N\nATOM 1057 CA VAL A 834 21.728 18.644 4.437 1.00 25.51 A C\nATOM 1058 C VAL A 834 21.700 20.057 5.048 1.00 23.33 A C\nATOM 1059 O VAL A 834 21.694 21.057 4.313 1.00 28.02 A O\nATOM 1060 CB VAL A 834 23.156 18.309 3.917 1.00 25.87 A C\nATOM 1061 CG1 VAL A 834 24.100 18.192 5.115 1.00 23.90 A C\nATOM 1062 CG2 VAL A 834 23.119 16.992 3.141 1.00 28.31 A C\nATOM 1063 N HIS A 835 21.660 20.124 6.381 1.00 24.32 A N\nATOM 1064 CA HIS A 835 21.506 21.383 7.113 1.00 23.28 A C\nATOM 1065 C HIS A 835 22.785 22.162 6.940 1.00 27.03 A C\nATOM 1066 O HIS A 835 22.813 23.290 6.411 1.00 26.76 A O\nATOM 1067 CB HIS A 835 21.277 21.097 8.607 1.00 22.96 A C\nATOM 1068 CG HIS A 835 20.801 22.288 9.388 1.00 25.87 A C\nATOM 1069 ND1 HIS A 835 21.552 23.426 9.550 1.00 25.72 A N\nATOM 1070 CD2 HIS A 835 19.625 22.522 10.030 1.00 29.70 A C\nATOM 1071 CE1 HIS A 835 20.875 24.313 10.264 1.00 26.78 A C\nATOM 1072 NE2 HIS A 835 19.701 23.783 10.576 1.00 27.19 A N\nATOM 1073 N ARG A 836 23.853 21.527 7.386 1.00 25.53 A N\nATOM 1074 CA ARG A 836 25.221 22.123 7.370 1.00 24.68 A C\nATOM 1075 C ARG A 836 25.537 23.182 8.437 1.00 30.73 A C\nATOM 1076 O ARG A 836 26.695 23.623 8.533 1.00 31.37 A O\nATOM 1077 CB ARG A 836 25.601 22.653 5.966 1.00 29.95 A C\nATOM 1078 CG ARG A 836 25.531 21.613 4.858 1.00 29.36 A C\nATOM 1079 CD ARG A 836 25.842 22.225 3.503 1.00 35.72 A C\nATOM 1080 NE ARG A 836 25.737 21.236 2.426 1.00 35.96 A N\nATOM 1081 CZ ARG A 836 24.613 20.915 1.795 1.00 42.66 A C\nATOM 1082 NH1 ARG A 836 23.454 21.500 2.119 1.00 43.85 A N\nATOM 1083 NH2 ARG A 836 24.655 20.006 0.825 1.00 45.95 A N\nATOM 1084 N ASP A 837 24.564 23.573 9.252 1.00 28.01 A N\nATOM 1085 CA ASP A 837 24.814 24.539 10.330 1.00 30.26 A C\nATOM 1086 C ASP A 837 23.893 24.288 11.553 1.00 24.80 A C\nATOM 1087 O ASP A 837 23.436 25.220 12.215 1.00 27.76 A O\nATOM 1088 CB ASP A 837 24.667 25.972 9.766 1.00 35.19 A C\nATOM 1089 CG ASP A 837 25.123 27.070 10.730 1.00 39.72 A C\nATOM 1090 OD1 ASP A 837 24.630 28.217 10.587 1.00 39.41 A O\nATOM 1091 OD2 ASP A 837 25.968 26.824 11.608 1.00 39.11 A O\nATOM 1092 N LEU A 838 23.664 23.019 11.894 1.00 22.90 A N\nATOM 1093 CA LEU A 838 22.936 22.738 13.109 1.00 26.01 A C\nATOM 1094 C LEU A 838 23.734 23.109 14.359 1.00 31.57 A C\nATOM 1095 O LEU A 838 24.933 22.815 14.484 1.00 23.80 A O\nATOM 1096 CB LEU A 838 22.428 21.289 13.139 1.00 23.02 A C\nATOM 1097 CG LEU A 838 21.594 20.979 14.380 1.00 21.58 A C\nATOM 1098 CD1 LEU A 838 20.220 21.710 14.325 1.00 23.98 A C\nATOM 1099 CD2 LEU A 838 21.381 19.486 14.377 1.00 26.15 A C\nATOM 1100 N ALA A 839 23.056 23.809 15.260 1.00 25.46 A N\nATOM 1101 CA ALA A 839 23.624 24.344 16.489 1.00 26.75 A C\nATOM 1102 C ALA A 839 22.450 24.802 17.349 1.00 26.96 A C\nATOM 1103 O ALA A 839 21.368 25.075 16.818 1.00 27.56 A O\nATOM 1104 CB ALA A 839 24.560 25.503 16.172 1.00 26.89 A C\nATOM 1105 N ALA A 840 22.647 24.874 18.660 1.00 25.41 A N\nATOM 1106 CA ALA A 840 21.586 25.344 19.568 1.00 28.19 A C\nATOM 1107 C ALA A 840 21.088 26.729 19.178 1.00 32.62 A C\nATOM 1108 O ALA A 840 19.888 27.022 19.337 1.00 26.09 A O\nATOM 1109 CB ALA A 840 22.036 25.315 21.015 1.00 31.55 A C\nATOM 1110 N ARG A 841 21.988 27.573 18.667 1.00 26.53 A N\nATOM 1111 CA ARG A 841 21.564 28.878 18.116 1.00 33.68 A C\nATOM 1112 C ARG A 841 20.540 28.815 16.971 1.00 29.87 A C\nATOM 1113 O ARG A 841 19.785 29.780 16.780 1.00 30.30 A O\nATOM 1114 CB ARG A 841 22.764 29.723 17.692 1.00 28.34 A C\nATOM 1115 CG ARG A 841 23.404 29.295 16.373 1.00 26.85 A C\nATOM 1116 CD ARG A 841 24.776 29.947 16.162 1.00 29.53 A C\nATOM 1117 NE ARG A 841 25.422 29.243 15.073 1.00 31.29 A N\nATOM 1118 CZ ARG A 841 26.341 28.302 15.254 1.00 39.55 A C\nATOM 1119 NH1 ARG A 841 26.771 28.031 16.482 1.00 34.98 A N\nATOM 1120 NH2 ARG A 841 26.851 27.654 14.208 1.00 34.16 A N\nATOM 1121 N ASN A 842 20.510 27.690 16.239 1.00 27.08 A N\nATOM 1122 CA ASN A 842 19.637 27.487 15.083 1.00 30.03 A C\nATOM 1123 C ASN A 842 18.422 26.601 15.370 1.00 24.67 A C\nATOM 1124 O ASN A 842 17.845 25.978 14.469 1.00 27.99 A O\nATOM 1125 CB ASN A 842 20.435 27.010 13.873 1.00 29.06 A C\nATOM 1126 CG ASN A 842 21.262 28.134 13.254 1.00 37.72 A C\nATOM 1127 OD1 ASN A 842 20.864 29.305 13.306 1.00 30.50 A O\nATOM 1128 ND2 ASN A 842 22.422 27.794 12.679 1.00 29.81 A N\nATOM 1129 N VAL A 843 18.136 26.486 16.658 1.00 23.76 A N\nATOM 1130 CA VAL A 843 16.903 25.867 17.159 1.00 30.91 A C\nATOM 1131 C VAL A 843 16.114 26.985 17.836 1.00 31.47 A C\nATOM 1132 O VAL A 843 16.638 27.662 18.721 1.00 31.89 A O\nATOM 1133 CB VAL A 843 17.212 24.725 18.140 1.00 27.97 A C\nATOM 1134 CG1 VAL A 843 15.915 24.065 18.619 1.00 27.30 A C\nATOM 1135 CG2 VAL A 843 18.140 23.693 17.466 1.00 24.18 A C\nATOM 1136 N LEU A 844 14.852 27.149 17.445 1.00 31.01 A N\nATOM 1137 CA LEU A 844 14.016 28.272 17.951 1.00 28.78 A C\nATOM 1138 C LEU A 844 12.878 27.747 18.798 1.00 31.95 A C\nATOM 1139 O LEU A 844 12.356 26.667 18.531 1.00 29.93 A O\nATOM 1140 CB LEU A 844 13.463 29.114 16.782 1.00 31.04 A C\nATOM 1141 CG LEU A 844 14.521 29.764 15.877 1.00 31.25 A C\nATOM 1142 CD1 LEU A 844 13.961 30.700 14.816 1.00 33.04 A C\nATOM 1143 CD2 LEU A 844 15.550 30.506 16.706 1.00 35.54 A C\nATOM 1144 N VAL A 845 12.508 28.516 19.819 1.00 33.45 A N\nATOM 1145 CA VAL A 845 11.410 28.169 20.722 1.00 37.40 A C\nATOM 1146 C VAL A 845 10.050 28.660 20.197 1.00 39.79 A C\nATOM 1147 O VAL A 845 9.791 29.864 20.151 1.00 40.55 A O\nATOM 1148 CB VAL A 845 11.706 28.704 22.144 1.00 37.90 A C\nATOM 1149 CG1 VAL A 845 10.598 28.332 23.123 1.00 34.42 A C\nATOM 1150 CG2 VAL A 845 13.046 28.162 22.639 1.00 34.23 A C\nATOM 1151 N LYS A 846 9.193 27.725 19.786 1.00 36.10 A N\nATOM 1152 CA LYS A 846 7.792 28.043 19.467 1.00 43.58 A C\nATOM 1153 C LYS A 846 7.040 28.141 20.792 1.00 38.19 A C\nATOM 1154 O LYS A 846 6.412 29.158 21.072 1.00 44.16 A O\nATOM 1155 CB LYS A 846 7.146 27.007 18.536 1.00 37.43 A C\nATOM 1156 CG LYS A 846 5.735 27.380 18.068 1.00 51.46 A C\nATOM 1157 CD LYS A 846 5.003 26.147 17.561 1.00 57.04 A C\nATOM 1158 CE LYS A 846 4.089 26.461 16.386 1.00 75.97 A C\nATOM 1159 NZ LYS A 846 2.821 27.114 16.809 1.00 61.01 A N\nATOM 1160 N THR A 847 7.130 27.085 21.599 1.00 36.95 A N\nATOM 1161 CA THR A 847 6.734 27.118 23.010 1.00 39.96 A C\nATOM 1162 C THR A 847 7.791 26.344 23.785 1.00 49.25 A C\nATOM 1163 O THR A 847 8.513 25.553 23.189 1.00 46.91 A O\nATOM 1164 CB THR A 847 5.344 26.477 23.270 1.00 42.03 A C\nATOM 1165 OG1 THR A 847 5.416 25.049 23.139 1.00 40.28 A O\nATOM 1166 CG2 THR A 847 4.263 27.039 22.331 1.00 47.29 A C\nATOM 1167 N PRO A 848 7.901 26.572 25.111 1.00 47.74 A N\nATOM 1168 CA PRO A 848 8.844 25.778 25.902 1.00 44.52 A C\nATOM 1169 C PRO A 848 8.762 24.277 25.619 1.00 44.91 A C\nATOM 1170 O PRO A 848 9.757 23.575 25.766 1.00 45.92 A O\nATOM 1171 CB PRO A 848 8.410 26.061 27.339 1.00 47.17 A C\nATOM 1172 CG PRO A 848 7.836 27.433 27.296 1.00 54.20 A C\nATOM 1173 CD PRO A 848 7.324 27.679 25.899 1.00 53.60 A C\nATOM 1174 N GLN A 849 7.596 23.779 25.211 1.00 43.27 A N\nATOM 1175 CA GLN A 849 7.475 22.347 24.901 1.00 42.19 A C\nATOM 1176 C GLN A 849 7.481 22.009 23.389 1.00 42.64 A C\nATOM 1177 O GLN A 849 7.190 20.866 23.001 1.00 45.37 A O\nATOM 1178 CB GLN A 849 6.267 21.718 25.627 1.00 58.29 A C\nATOM 1179 CG GLN A 849 4.961 22.504 25.555 1.00 66.43 A C\nATOM 1180 CD GLN A 849 4.884 23.642 26.570 1.00 62.36 A C\nATOM 1181 OE1 GLN A 849 4.609 24.782 26.211 1.00 63.71 A O\nATOM 1182 NE2 GLN A 849 5.141 23.334 27.838 1.00 63.07 A N\nATOM 1183 N HIS A 850 7.806 22.998 22.549 1.00 43.34 A N\nATOM 1184 CA HIS A 850 7.827 22.837 21.080 1.00 36.09 A C\nATOM 1185 C HIS A 850 8.939 23.707 20.451 1.00 35.72 A C\nATOM 1186 O HIS A 850 8.834 24.935 20.398 1.00 38.30 A O\nATOM 1187 CB HIS A 850 6.465 23.232 20.495 1.00 47.52 A C\nATOM 1188 CG HIS A 850 6.285 22.897 19.044 1.00 56.05 A C\nATOM 1189 ND1 HIS A 850 5.061 22.545 18.513 1.00 67.56 A N\nATOM 1190 CD2 HIS A 850 7.165 22.862 18.013 1.00 46.60 A C\nATOM 1191 CE1 HIS A 850 5.195 22.314 17.219 1.00 61.32 A C\nATOM 1192 NE2 HIS A 850 6.461 22.497 16.891 1.00 50.10 A N\nATOM 1193 N VAL A 851 9.997 23.065 19.957 1.00 30.62 A N\nATOM 1194 CA VAL A 851 11.119 23.801 19.316 1.00 27.66 A C\nATOM 1195 C VAL A 851 11.258 23.414 17.837 1.00 29.34 A C\nATOM 1196 O VAL A 851 10.790 22.339 17.409 1.00 37.31 A O\nATOM 1197 CB VAL A 851 12.459 23.615 20.093 1.00 27.08 A C\nATOM 1198 CG1 VAL A 851 12.320 24.093 21.527 1.00 28.71 A C\nATOM 1199 CG2 VAL A 851 12.917 22.166 20.074 1.00 29.61 A C\nATOM 1200 N LYS A 852 11.848 24.295 17.049 1.00 25.66 A N\nATOM 1201 CA LYS A 852 11.927 24.130 15.593 1.00 29.99 A C\nATOM 1202 C LYS A 852 13.322 24.502 15.084 1.00 31.41 A C\nATOM 1203 O LYS A 852 13.919 25.461 15.577 1.00 32.82 A O\nATOM 1204 CB LYS A 852 10.930 25.045 14.883 1.00 29.63 A C\nATOM 1205 CG LYS A 852 9.481 24.848 15.301 1.00 35.70 A C\nATOM 1206 CD LYS A 852 8.547 25.799 14.559 1.00 39.50 A C\nATOM 1207 CE LYS A 852 8.240 25.299 13.156 1.00 45.39 A C\nATOM 1208 NZ LYS A 852 7.134 26.073 12.523 1.00 54.24 A N\nATOM 1209 N ILE A 853 13.787 23.781 14.065 1.00 27.56 A N\nATOM 1210 CA ILE A 853 15.114 24.014 13.466 1.00 30.12 A C\nATOM 1211 C ILE A 853 15.005 25.045 12.339 1.00 31.59 A C\nATOM 1212 O ILE A 853 14.017 25.067 11.596 1.00 31.70 A O\nATOM 1213 CB ILE A 853 15.695 22.700 12.885 1.00 25.76 A C\nATOM 1214 CG1 ILE A 853 15.805 21.647 13.983 1.00 26.76 A C\nATOM 1215 CG2 ILE A 853 17.031 22.964 12.191 1.00 32.39 A C\nATOM 1216 CD1 ILE A 853 15.788 20.251 13.420 1.00 36.59 A C\nATOM 1217 N THR A 854 16.008 25.909 12.237 1.00 25.25 A N\nATOM 1218 CA THR A 854 16.073 26.896 11.179 1.00 27.24 A C\nATOM 1219 C THR A 854 17.503 26.936 10.582 1.00 28.06 A C\nATOM 1220 O THR A 854 18.380 26.227 11.069 1.00 31.74 A O\nATOM 1221 CB THR A 854 15.656 28.302 11.705 1.00 24.66 A C\nATOM 1222 OG1 THR A 854 15.473 29.166 10.579 1.00 25.50 A O\nATOM 1223 CG2 THR A 854 16.714 28.916 12.649 1.00 28.04 A C\nATOM 1224 N ASP A 855 17.692 27.727 9.517 1.00 26.22 A N\nATOM 1225 CA ASP A 855 19.025 28.078 8.949 1.00 33.58 A C\nATOM 1226 C ASP A 855 19.662 26.928 8.139 1.00 27.70 A C\nATOM 1227 O ASP A 855 20.866 26.952 7.856 1.00 41.67 A O\nATOM 1228 CB ASP A 855 19.977 28.578 10.059 1.00 34.40 A C\nATOM 1229 CG ASP A 855 20.915 29.702 9.592 1.00 43.40 A C\nATOM 1230 OD1 ASP A 855 20.500 30.546 8.761 1.00 40.77 A O\nATOM 1231 OD2 ASP A 855 22.072 29.765 10.083 1.00 42.67 A O\nATOM 1232 N PHE A 856 18.848 25.931 7.775 1.00 31.84 A N\nATOM 1233 CA PHE A 856 19.295 24.768 6.988 1.00 27.77 A C\nATOM 1234 C PHE A 856 19.514 25.134 5.526 1.00 38.25 A C\nATOM 1235 O PHE A 856 18.707 25.862 4.918 1.00 35.00 A O\nATOM 1236 CB PHE A 856 18.299 23.609 7.116 1.00 31.72 A C\nATOM 1237 CG PHE A 856 16.859 24.013 6.902 1.00 37.42 A C\nATOM 1238 CD1 PHE A 856 16.058 24.398 7.982 1.00 39.39 A C\nATOM 1239 CD2 PHE A 856 16.313 24.012 5.628 1.00 35.12 A C\nATOM 1240 CE1 PHE A 856 14.722 24.772 7.786 1.00 33.38 A C\nATOM 1241 CE2 PHE A 856 14.977 24.374 5.431 1.00 41.41 A C\nATOM 1242 CZ PHE A 856 14.198 24.755 6.510 1.00 31.08 A C\nATOM 1243 N GLY A 857 20.622 24.655 4.960 1.00 31.90 A N\nATOM 1244 CA GLY A 857 20.859 24.804 3.519 1.00 31.25 A C\nATOM 1245 C GLY A 857 21.491 26.110 3.089 1.00 35.22 A C\nATOM 1246 O GLY A 857 21.668 26.359 1.897 1.00 36.36 A O\nATOM 1247 N LEU A 858 21.834 26.959 4.051 1.00 36.41 A N\nATOM 1248 CA LEU A 858 22.374 28.251 3.733 1.00 33.90 A C\nATOM 1249 C LEU A 858 23.850 28.082 3.359 1.00 36.55 A C\nATOM 1250 O LEU A 858 24.343 28.746 2.449 1.00 35.70 A O\nATOM 1251 CB LEU A 858 22.223 29.193 4.931 1.00 41.10 A C\nATOM 1252 CG LEU A 858 22.171 30.700 4.704 1.00 43.83 A C\nATOM 1253 CD1 LEU A 858 21.064 31.083 3.723 1.00 46.99 A C\nATOM 1254 CD2 LEU A 858 21.948 31.375 6.046 1.00 35.64 A C\nATOM 1255 N ALA A 859 24.532 27.169 4.052 1.00 35.60 A N\nATOM 1256 CA ALA A 859 25.942 26.925 3.767 1.00 37.84 A C\nATOM 1257 C ALA A 859 26.099 26.444 2.330 1.00 40.12 A C\nATOM 1258 O ALA A 859 27.072 26.801 1.659 1.00 37.50 A O\nATOM 1259 CB ALA A 859 26.545 25.930 4.746 1.00 34.95 A C\nATOM 1260 N LYS A 860 25.133 25.648 1.851 1.00 35.37 A N\nATOM 1261 CA LYS A 860 25.130 25.217 0.457 1.00 40.64 A C\nATOM 1262 C LYS A 860 24.865 26.396 -0.464 1.00 37.43 A C\nATOM 1263 O LYS A 860 25.539 26.565 -1.475 1.00 43.25 A O\nATOM 1264 CB LYS A 860 24.093 24.118 0.194 1.00 47.18 A C\nATOM 1265 CG LYS A 860 23.823 23.875 -1.292 1.00 52.81 A C\nATOM 1266 CD LYS A 860 23.407 22.442 -1.573 1.00 54.14 A C\nATOM 1267 CE LYS A 860 23.585 22.101 -3.044 1.00 65.94 A C\nATOM 1268 NZ LYS A 860 23.618 20.628 -3.255 1.00 73.01 A N\nATOM 1269 N LEU A 861 23.869 27.198 -0.120 1.00 35.22 A N\nATOM 1270 CA LEU A 861 23.469 28.302 -0.989 1.00 42.52 A C\nATOM 1271 C LEU A 861 24.635 29.262 -1.217 1.00 43.31 A C\nATOM 1272 O LEU A 861 24.785 29.824 -2.307 1.00 42.59 A O\nATOM 1273 CB LEU A 861 22.281 29.042 -0.379 1.00 45.30 A C\nATOM 1274 CG LEU A 861 21.724 30.283 -1.079 1.00 60.80 A C\nATOM 1275 CD1 LEU A 861 21.344 29.986 -2.523 1.00 74.68 A C\nATOM 1276 CD2 LEU A 861 20.527 30.808 -0.297 1.00 46.66 A C\nATOM 1277 N LEU A 862 25.458 29.422 -0.184 1.00 43.61 A N\nATOM 1278 CA LEU A 862 26.554 30.390 -0.192 1.00 47.31 A C\nATOM 1279 C LEU A 862 27.869 29.821 -0.747 1.00 48.26 A C\nATOM 1280 O LEU A 862 28.882 30.523 -0.807 1.00 49.35 A O\nATOM 1281 CB LEU A 862 26.749 30.970 1.218 1.00 45.15 A C\nATOM 1282 CG LEU A 862 25.676 31.944 1.740 1.00 45.97 A C\nATOM 1283 CD1 LEU A 862 25.961 32.300 3.191 1.00 48.31 A C\nATOM 1284 CD2 LEU A 862 25.608 33.210 0.888 1.00 47.47 A C\nATOM 1285 N GLY A 863 27.853 28.549 -1.142 1.00 49.38 A N\nATOM 1286 CA GLY A 863 29.018 27.916 -1.781 1.00 45.16 A C\nATOM 1287 C GLY A 863 30.128 27.447 -0.847 1.00 39.80 A C\nATOM 1288 O GLY A 863 31.286 27.311 -1.271 1.00 50.15 A O\nATOM 1289 N ALA A 864 29.787 27.166 0.413 1.00 40.85 A N\nATOM 1290 CA ALA A 864 30.789 26.748 1.398 1.00 42.57 A C\nATOM 1291 C ALA A 864 31.329 25.336 1.148 1.00 38.79 A C\nATOM 1292 O ALA A 864 32.211 24.884 1.866 1.00 42.81 A O\nATOM 1293 CB ALA A 864 30.257 26.864 2.811 1.00 41.45 A C\nATOM 1294 N GLU A 865 30.779 24.650 0.148 1.00 36.82 A N\nATOM 1295 CA GLU A 865 31.281 23.322 -0.252 1.00 44.30 A C\nATOM 1296 C GLU A 865 32.377 23.443 -1.311 1.00 47.98 A C\nATOM 1297 O GLU A 865 32.982 22.444 -1.707 1.00 40.23 A O\nATOM 1298 CB GLU A 865 30.145 22.407 -0.761 1.00 41.00 A C\nATOM 1299 CG GLU A 865 29.020 22.190 0.244 1.00 53.30 A C\nATOM 1300 CD GLU A 865 28.086 21.053 -0.137 1.00 66.21 A C\nATOM 1301 OE1 GLU A 865 27.442 20.512 0.782 1.00 56.09 A O\nATOM 1302 OE2 GLU A 865 27.997 20.692 -1.337 1.00 63.67 A O\nATOM 1303 N GLU A 866 32.612 24.670 -1.770 1.00 47.17 A N\nATOM 1304 CA GLU A 866 33.608 24.955 -2.807 1.00 46.40 A C\nATOM 1305 C GLU A 866 34.700 25.832 -2.210 1.00 40.98 A C\nATOM 1306 O GLU A 866 34.497 26.450 -1.164 1.00 38.94 A O\nATOM 1307 CB GLU A 866 32.956 25.644 -4.019 1.00 46.22 A C\nATOM 1308 CG GLU A 866 32.102 24.730 -4.897 1.00 54.50 A C\nATOM 1309 CD GLU A 866 30.714 24.468 -4.337 1.00 68.80 A C\nATOM 1310 OE1 GLU A 866 30.121 23.425 -4.688 1.00 79.63 A O\nATOM 1311 OE2 GLU A 866 30.206 25.299 -3.553 1.00 68.10 A O\nATOM 1312 N LYS A 867 35.854 25.893 -2.877 1.00 37.24 A N\nATOM 1313 CA LYS A 867 37.036 26.539 -2.313 1.00 47.53 A C\nATOM 1314 C LYS A 867 36.911 28.067 -2.320 1.00 42.85 A C\nATOM 1315 O LYS A 867 37.482 28.740 -1.459 1.00 40.83 A O\nATOM 1316 CB LYS A 867 38.325 26.074 -3.037 1.00 37.61 A C\nATOM 1317 CG LYS A 867 38.432 26.433 -4.517 1.00 41.83 A C\nATOM 1318 CD LYS A 867 39.175 25.359 -5.323 1.00 39.74 A C\nATOM 1319 CE LYS A 867 38.867 25.438 -6.819 1.00 39.65 A C\nATOM 1320 NZ LYS A 867 37.395 25.435 -7.144 1.00 43.75 A N\nATOM 1321 N GLU A 868 36.150 28.584 -3.288 1.00 40.06 A N\nATOM 1322 CA GLU A 868 36.053 30.019 -3.559 1.00 46.64 A C\nATOM 1323 C GLU A 868 35.553 30.809 -2.344 1.00 48.10 A C\nATOM 1324 O GLU A 868 36.168 31.809 -1.964 1.00 42.32 A O\nATOM 1325 CB GLU A 868 35.192 30.281 -4.806 1.00 51.74 A C\nATOM 1326 CG GLU A 868 35.891 29.990 -6.136 1.00 53.17 A C\nATOM 1327 CD GLU A 868 35.976 28.505 -6.493 1.00 55.69 A C\nATOM 1328 OE1 GLU A 868 35.179 27.686 -5.971 1.00 42.46 A O\nATOM 1329 OE2 GLU A 868 36.850 28.153 -7.324 1.00 48.42 A O\nATOM 1330 N TYR A 869 34.454 30.346 -1.739 1.00 45.27 A N\nATOM 1331 CA TYR A 869 33.932 30.900 -0.471 1.00 44.49 A C\nATOM 1332 C TYR A 869 35.024 31.102 0.592 1.00 48.57 A C\nATOM 1333 O TYR A 869 35.104 32.164 1.215 1.00 44.29 A O\nATOM 1334 CB TYR A 869 32.801 29.997 0.082 1.00 48.00 A C\nATOM 1335 CG TYR A 869 32.241 30.446 1.420 1.00 43.34 A C\nATOM 1336 CD1 TYR A 869 32.588 29.791 2.597 1.00 37.95 A C\nATOM 1337 CD2 TYR A 869 31.372 31.544 1.509 1.00 44.45 A C\nATOM 1338 CE1 TYR A 869 32.083 30.202 3.827 1.00 37.47 A C\nATOM 1339 CE2 TYR A 869 30.878 31.968 2.739 1.00 42.96 A C\nATOM 1340 CZ TYR A 869 31.234 31.291 3.891 1.00 42.37 A C\nATOM 1341 OH TYR A 869 30.756 31.702 5.118 1.00 42.81 A O\nATOM 1342 N HIS A 870 35.870 30.090 0.777 1.00 42.45 A N\nATOM 1343 CA HIS A 870 36.910 30.105 1.819 1.00 39.96 A C\nATOM 1344 C HIS A 870 38.101 30.984 1.432 1.00 48.03 A C\nATOM 1345 O HIS A 870 38.716 31.644 2.285 1.00 44.35 A O\nATOM 1346 CB HIS A 870 37.352 28.671 2.130 1.00 43.61 A C\nATOM 1347 CG HIS A 870 36.249 27.816 2.689 1.00 45.24 A C\nATOM 1348 ND1 HIS A 870 35.330 27.165 1.891 1.00 48.50 A N\nATOM 1349 CD2 HIS A 870 35.909 27.525 3.966 1.00 41.55 A C\nATOM 1350 CE1 HIS A 870 34.478 26.501 2.653 1.00 40.12 A C\nATOM 1351 NE2 HIS A 870 34.803 26.708 3.917 1.00 54.39 A N\nATOM 1352 N ALA A 871 38.424 30.987 0.142 1.00 48.53 A N\nATOM 1353 CA ALA A 871 39.483 31.851 -0.386 1.00 52.92 A C\nATOM 1354 C ALA A 871 39.090 33.330 -0.289 1.00 57.64 A C\nATOM 1355 O ALA A 871 39.955 34.191 -0.122 1.00 49.04 A O\nATOM 1356 CB ALA A 871 39.812 31.468 -1.828 1.00 50.28 A C\nATOM 1357 N GLU A 872 37.784 33.610 -0.363 1.00 52.01 A N\nATOM 1358 CA GLU A 872 37.262 34.982 -0.336 1.00 56.03 A C\nATOM 1359 C GLU A 872 36.943 35.500 1.077 1.00 59.17 A C\nATOM 1360 O GLU A 872 36.239 36.500 1.231 1.00 61.85 A O\nATOM 1361 CB GLU A 872 36.029 35.099 -1.244 1.00 68.02 A C\nATOM 1362 CG GLU A 872 36.346 35.099 -2.734 1.00 77.21 A C\nATOM 1363 CD GLU A 872 35.157 34.711 -3.601 1.00 97.81 A C\nATOM 1364 OE1 GLU A 872 34.010 35.092 -3.275 1.00102.61 A O\nATOM 1365 OE2 GLU A 872 35.372 34.023 -4.622 1.00 97.00 A O\nATOM 1366 N GLY A 873 37.469 34.823 2.098 1.00 58.69 A N\nATOM 1367 CA GLY A 873 37.326 35.262 3.487 1.00 54.40 A C\nATOM 1368 C GLY A 873 36.155 34.670 4.258 1.00 44.99 A C\nATOM 1369 O GLY A 873 35.994 34.948 5.449 1.00 46.72 A O\nATOM 1370 N GLY A 874 35.348 33.841 3.597 1.00 41.02 A N\nATOM 1371 CA GLY A 874 34.156 33.248 4.231 1.00 46.70 A C\nATOM 1372 C GLY A 874 34.533 32.316 5.367 1.00 46.89 A C\nATOM 1373 O GLY A 874 35.565 31.640 5.303 1.00 38.65 A O\nATOM 1374 N LYS A 875 33.707 32.283 6.417 1.00 40.97 A N\nATOM 1375 CA LYS A 875 33.971 31.414 7.573 1.00 44.70 A C\nATOM 1376 C LYS A 875 32.851 30.407 7.758 1.00 45.71 A C\nATOM 1377 O LYS A 875 31.728 30.605 7.264 1.00 42.27 A O\nATOM 1378 CB LYS A 875 34.153 32.227 8.861 1.00 57.63 A C\nATOM 1379 CG LYS A 875 35.303 33.225 8.833 1.00 64.74 A C\nATOM 1380 CD LYS A 875 36.627 32.601 9.255 1.00 68.35 A C\nATOM 1381 CE LYS A 875 37.710 33.669 9.334 1.00 73.60 A C\nATOM 1382 NZ LYS A 875 38.878 33.251 10.159 1.00 70.79 A N\nATOM 1383 N VAL A 876 33.178 29.320 8.449 1.00 41.20 A N\nATOM 1384 CA VAL A 876 32.211 28.241 8.736 1.00 40.30 A C\nATOM 1385 C VAL A 876 32.294 27.905 10.232 1.00 36.00 A C\nATOM 1386 O VAL A 876 33.310 28.204 10.880 1.00 41.42 A O\nATOM 1387 CB VAL A 876 32.448 26.993 7.845 1.00 35.33 A C\nATOM 1388 CG1 VAL A 876 31.864 27.218 6.452 1.00 38.11 A C\nATOM 1389 CG2 VAL A 876 33.937 26.669 7.743 1.00 40.25 A C\nATOM 1390 N PRO A 877 31.232 27.304 10.788 1.00 36.65 A N\nATOM 1391 CA PRO A 877 31.168 27.085 12.243 1.00 32.43 A C\nATOM 1392 C PRO A 877 31.989 25.871 12.669 1.00 33.61 A C\nATOM 1393 O PRO A 877 31.446 24.822 12.981 1.00 29.15 A O\nATOM 1394 CB PRO A 877 29.664 26.864 12.491 1.00 35.69 A C\nATOM 1395 CG PRO A 877 29.144 26.302 11.211 1.00 33.67 A C\nATOM 1396 CD PRO A 877 29.979 26.910 10.106 1.00 41.66 A C\nATOM 1397 N ILE A 878 33.310 26.025 12.729 1.00 27.90 A N\nATOM 1398 CA ILE A 878 34.195 24.889 12.915 1.00 32.46 A C\nATOM 1399 C ILE A 878 33.910 24.020 14.142 1.00 28.85 A C\nATOM 1400 O ILE A 878 34.082 22.801 14.086 1.00 28.98 A O\nATOM 1401 CB ILE A 878 35.683 25.345 12.980 1.00 32.09 A C\nATOM 1402 CG1 ILE A 878 36.148 25.881 11.621 1.00 36.30 A C\nATOM 1403 CG2 ILE A 878 36.569 24.207 13.469 1.00 32.69 A C\nATOM 1404 CD1 ILE A 878 36.435 24.842 10.543 1.00 39.95 A C\nATOM 1405 N LYS A 879 33.533 24.645 15.259 1.00 29.60 A N\nATOM 1406 CA LYS A 879 33.367 23.911 16.510 1.00 26.22 A C\nATOM 1407 C LYS A 879 32.094 23.034 16.526 1.00 24.84 A C\nATOM 1408 O LYS A 879 31.891 22.260 17.448 1.00 28.78 A O\nATOM 1409 CB LYS A 879 33.430 24.858 17.716 1.00 28.83 A C\nATOM 1410 CG LYS A 879 34.842 25.401 17.951 1.00 38.19 A C\nATOM 1411 CD LYS A 879 34.830 26.562 18.934 1.00 40.19 A C\nATOM 1412 CE LYS A 879 36.246 27.029 19.228 1.00 32.84 A C\nATOM 1413 NZ LYS A 879 36.263 28.136 20.240 1.00 34.70 A N\nATOM 1414 N TRP A 880 31.280 23.157 15.489 1.00 24.85 A N\nATOM 1415 CA TRP A 880 30.110 22.292 15.307 1.00 31.64 A C\nATOM 1416 C TRP A 880 30.306 21.259 14.183 1.00 30.59 A C\nATOM 1417 O TRP A 880 29.457 20.390 13.978 1.00 34.02 A O\nATOM 1418 CB TRP A 880 28.878 23.149 15.031 1.00 27.14 A C\nATOM 1419 CG TRP A 880 28.339 23.795 16.290 1.00 28.73 A C\nATOM 1420 CD1 TRP A 880 27.276 23.367 17.051 1.00 28.66 A C\nATOM 1421 CD2 TRP A 880 28.859 24.962 16.945 1.00 31.97 A C\nATOM 1422 NE1 TRP A 880 27.115 24.199 18.138 1.00 28.60 A N\nATOM 1423 CE2 TRP A 880 28.064 25.190 18.091 1.00 30.62 A C\nATOM 1424 CE3 TRP A 880 29.917 25.850 16.662 1.00 31.59 A C\nATOM 1425 CZ2 TRP A 880 28.291 26.276 18.965 1.00 31.23 A C\nATOM 1426 CZ3 TRP A 880 30.154 26.923 17.542 1.00 30.88 A C\nATOM 1427 CH2 TRP A 880 29.358 27.112 18.676 1.00 25.65 A C\nATOM 1428 N MET A 881 31.427 21.349 13.460 1.00 27.44 A N\nATOM 1429 CA MET A 881 31.540 20.623 12.193 1.00 26.86 A C\nATOM 1430 C MET A 881 32.150 19.249 12.353 1.00 28.50 A C\nATOM 1431 O MET A 881 33.062 19.068 13.159 1.00 28.72 A O\nATOM 1432 CB MET A 881 32.326 21.432 11.154 1.00 29.39 A C\nATOM 1433 CG MET A 881 31.563 22.600 10.554 1.00 32.10 A C\nATOM 1434 SD MET A 881 32.705 23.710 9.728 1.00 36.98 A S\nATOM 1435 CE MET A 881 33.274 22.696 8.370 1.00 32.20 A C\nATOM 1436 N ALA A 882 31.666 18.280 11.573 1.00 27.59 A N\nATOM 1437 CA ALA A 882 32.274 16.941 11.583 1.00 23.42 A C\nATOM 1438 C ALA A 882 33.701 17.054 11.025 1.00 26.24 A C\nATOM 1439 O ALA A 882 33.983 17.914 10.193 1.00 25.83 A O\nATOM 1440 CB ALA A 882 31.483 15.966 10.710 1.00 21.36 A C\nATOM 1441 N LEU A 883 34.575 16.153 11.432 1.00 29.23 A N\nATOM 1442 CA LEU A 883 35.973 16.210 10.953 1.00 30.11 A C\nATOM 1443 C LEU A 883 36.095 16.155 9.415 1.00 31.93 A C\nATOM 1444 O LEU A 883 36.886 16.913 8.820 1.00 28.83 A O\nATOM 1445 CB LEU A 883 36.804 15.101 11.603 1.00 29.10 A C\nATOM 1446 CG LEU A 883 38.327 15.214 11.398 1.00 28.93 A C\nATOM 1447 CD1 LEU A 883 38.797 16.632 11.665 1.00 33.97 A C\nATOM 1448 CD2 LEU A 883 39.017 14.211 12.293 1.00 29.31 A C\nATOM 1449 N GLU A 884 35.311 15.288 8.761 1.00 21.95 A N\nATOM 1450 CA GLU A 884 35.344 15.209 7.296 1.00 22.92 A C\nATOM 1451 C GLU A 884 34.876 16.508 6.591 1.00 26.17 A C\nATOM 1452 O GLU A 884 35.268 16.778 5.447 1.00 24.35 A O\nATOM 1453 CB GLU A 884 34.646 13.943 6.753 1.00 26.86 A C\nATOM 1454 CG GLU A 884 33.105 13.951 6.895 1.00 27.94 A C\nATOM 1455 CD GLU A 884 32.564 13.567 8.273 1.00 29.05 A C\nATOM 1456 OE1 GLU A 884 33.301 13.408 9.265 1.00 25.06 A O\nATOM 1457 OE2 GLU A 884 31.319 13.447 8.409 1.00 23.90 A O\nATOM 1458 N SER A 885 34.033 17.294 7.263 1.00 30.81 A N\nATOM 1459 CA SER A 885 33.587 18.585 6.721 1.00 25.73 A C\nATOM 1460 C SER A 885 34.723 19.608 6.802 1.00 27.51 A C\nATOM 1461 O SER A 885 34.939 20.392 5.877 1.00 29.16 A O\nATOM 1462 CB SER A 885 32.382 19.102 7.520 1.00 26.41 A C\nATOM 1463 OG SER A 885 31.330 18.146 7.461 1.00 29.44 A O\nATOM 1464 N ILE A 886 35.414 19.578 7.929 1.00 25.32 A N\nATOM 1465 CA ILE A 886 36.574 20.454 8.176 1.00 30.05 A C\nATOM 1466 C ILE A 886 37.659 20.144 7.152 1.00 30.18 A C\nATOM 1467 O ILE A 886 38.150 21.055 6.475 1.00 32.84 A O\nATOM 1468 CB ILE A 886 37.110 20.303 9.615 1.00 36.22 A C\nATOM 1469 CG1 ILE A 886 36.049 20.780 10.634 1.00 31.72 A C\nATOM 1470 CG2 ILE A 886 38.400 21.107 9.804 1.00 32.89 A C\nATOM 1471 CD1 ILE A 886 36.393 20.470 12.086 1.00 30.73 A C\nATOM 1472 N LEU A 887 37.993 18.853 6.989 1.00 31.51 A N\nATOM 1473 CA LEU A 887 39.125 18.443 6.148 1.00 34.19 A C\nATOM 1474 C LEU A 887 38.849 18.409 4.655 1.00 36.04 A C\nATOM 1475 O LEU A 887 39.732 18.687 3.891 1.00 26.34 A O\nATOM 1476 CB LEU A 887 39.729 17.097 6.600 1.00 30.53 A C\nATOM 1477 CG LEU A 887 40.150 17.042 8.077 1.00 39.64 A C\nATOM 1478 CD1 LEU A 887 40.469 15.608 8.488 1.00 38.89 A C\nATOM 1479 CD2 LEU A 887 41.336 17.967 8.366 1.00 35.87 A C\nATOM 1480 N HIS A 888 37.628 18.086 4.233 1.00 26.10 A N\nATOM 1481 CA HIS A 888 37.369 17.835 2.818 1.00 24.98 A C\nATOM 1482 C HIS A 888 36.058 18.409 2.302 1.00 28.24 A C\nATOM 1483 O HIS A 888 35.654 18.072 1.186 1.00 27.84 A O\nATOM 1484 CB HIS A 888 37.363 16.319 2.542 1.00 29.19 A C\nATOM 1485 CG HIS A 888 38.705 15.681 2.728 1.00 31.15 A C\nATOM 1486 ND1 HIS A 888 39.739 15.857 1.835 1.00 34.56 A N\nATOM 1487 CD2 HIS A 888 39.188 14.892 3.718 1.00 31.38 A C\nATOM 1488 CE1 HIS A 888 40.807 15.208 2.270 1.00 34.69 A C\nATOM 1489 NE2 HIS A 888 40.496 14.601 3.401 1.00 35.08 A N\nATOM 1490 N ARG A 889 35.422 19.255 3.114 1.00 25.02 A N\nATOM 1491 CA ARG A 889 34.179 19.942 2.731 1.00 32.39 A C\nATOM 1492 C ARG A 889 33.118 18.923 2.370 1.00 26.78 A C\nATOM 1493 O ARG A 889 32.276 19.159 1.484 1.00 29.23 A O\nATOM 1494 CB ARG A 889 34.429 20.930 1.578 1.00 31.37 A C\nATOM 1495 CG ARG A 889 35.516 21.943 1.891 1.00 33.25 A C\nATOM 1496 CD ARG A 889 35.608 22.980 0.779 1.00 39.11 A C\nATOM 1497 NE ARG A 889 36.544 24.044 1.105 1.00 37.65 A N\nATOM 1498 CZ ARG A 889 37.701 24.266 0.468 1.00 46.93 A C\nATOM 1499 NH1 ARG A 889 38.074 23.526 -0.570 1.00 38.03 A N\nATOM 1500 NH2 ARG A 889 38.476 25.267 0.846 1.00 40.00 A N\nATOM 1501 N ILE A 890 33.175 17.774 3.039 1.00 26.13 A N\nATOM 1502 CA ILE A 890 32.145 16.730 2.876 1.00 29.66 A C\nATOM 1503 C ILE A 890 31.018 17.016 3.855 1.00 26.43 A C\nATOM 1504 O ILE A 890 31.245 17.066 5.063 1.00 26.43 A O\nATOM 1505 CB ILE A 890 32.701 15.296 3.144 1.00 29.59 A C\nATOM 1506 CG1 ILE A 890 33.716 14.901 2.071 1.00 34.56 A C\nATOM 1507 CG2 ILE A 890 31.564 14.262 3.147 1.00 26.41 A C\nATOM 1508 CD1 ILE A 890 34.686 13.798 2.502 1.00 27.38 A C\nATOM 1509 N TYR A 891 29.787 17.135 3.328 1.00 27.40 A N\nATOM 1510 CA TYR A 891 28.606 17.370 4.144 1.00 29.79 A C\nATOM 1511 C TYR A 891 27.537 16.381 3.726 1.00 26.49 A C\nATOM 1512 O TYR A 891 27.188 16.314 2.550 1.00 29.21 A O\nATOM 1513 CB TYR A 891 28.046 18.756 3.884 1.00 31.16 A C\nATOM 1514 CG TYR A 891 28.844 19.897 4.436 1.00 32.59 A C\nATOM 1515 CD1 TYR A 891 28.639 20.341 5.751 1.00 30.54 A C\nATOM 1516 CD2 TYR A 891 29.797 20.548 3.648 1.00 32.80 A C\nATOM 1517 CE1 TYR A 891 29.363 21.411 6.254 1.00 37.58 A C\nATOM 1518 CE2 TYR A 891 30.514 21.623 4.141 1.00 34.48 A C\nATOM 1519 CZ TYR A 891 30.291 22.043 5.443 1.00 35.46 A C\nATOM 1520 OH TYR A 891 30.976 23.117 5.945 1.00 42.40 A O\nATOM 1521 N THR A 892 27.092 15.591 4.699 1.00 27.14 A N\nATOM 1522 CA THR A 892 26.052 14.573 4.503 1.00 28.00 A C\nATOM 1523 C THR A 892 25.132 14.670 5.688 1.00 24.99 A C\nATOM 1524 O THR A 892 25.394 15.437 6.647 1.00 24.52 A O\nATOM 1525 CB THR A 892 26.656 13.161 4.529 1.00 24.93 A C\nATOM 1526 OG1 THR A 892 27.152 12.906 5.842 1.00 26.37 A O\nATOM 1527 CG2 THR A 892 27.808 13.012 3.492 1.00 29.56 A C\nATOM 1528 N HIS A 893 24.060 13.868 5.664 1.00 26.44 A N\nATOM 1529 CA HIS A 893 23.230 13.753 6.839 1.00 29.70 A C\nATOM 1530 C HIS A 893 23.987 13.219 8.061 1.00 24.12 A C\nATOM 1531 O HIS A 893 23.680 13.585 9.197 1.00 22.63 A O\nATOM 1532 CB HIS A 893 21.929 12.993 6.484 1.00 25.97 A C\nATOM 1533 CG HIS A 893 21.172 13.679 5.386 1.00 27.52 A C\nATOM 1534 ND1 HIS A 893 20.529 14.883 5.575 1.00 28.59 A N\nATOM 1535 CD2 HIS A 893 21.051 13.390 4.069 1.00 28.83 A C\nATOM 1536 CE1 HIS A 893 20.035 15.299 4.425 1.00 27.39 A C\nATOM 1537 NE2 HIS A 893 20.298 14.394 3.505 1.00 32.49 A N\nATOM 1538 N GLN A 894 25.059 12.470 7.828 1.00 26.66 A N\nATOM 1539 CA GLN A 894 25.919 11.997 8.926 1.00 29.47 A C\nATOM 1540 C GLN A 894 26.906 13.056 9.499 1.00 26.86 A C\nATOM 1541 O GLN A 894 27.298 12.991 10.667 1.00 22.97 A O\nATOM 1542 CB GLN A 894 26.654 10.708 8.491 1.00 27.17 A C\nATOM 1543 CG GLN A 894 25.705 9.525 8.192 1.00 24.91 A C\nATOM 1544 CD GLN A 894 24.783 9.234 9.369 1.00 30.07 A C\nATOM 1545 OE1 GLN A 894 23.581 9.588 9.349 1.00 27.00 A O\nATOM 1546 NE2 GLN A 894 25.334 8.605 10.418 1.00 27.72 A N\nATOM 1547 N SER A 895 27.288 14.034 8.695 1.00 24.14 A N\nATOM 1548 CA SER A 895 27.927 15.211 9.257 1.00 27.27 A C\nATOM 1549 C SER A 895 26.958 16.056 10.075 1.00 27.74 A C\nATOM 1550 O SER A 895 27.372 16.618 11.077 1.00 25.43 A O\nATOM 1551 CB SER A 895 28.699 16.026 8.208 1.00 31.60 A C\nATOM 1552 OG SER A 895 27.862 16.621 7.234 1.00 25.89 A O\nATOM 1553 N ASP A 896 25.672 16.123 9.675 1.00 26.73 A N\nATOM 1554 CA ASP A 896 24.643 16.770 10.518 1.00 24.53 A C\nATOM 1555 C ASP A 896 24.481 16.058 11.860 1.00 20.29 A C\nATOM 1556 O ASP A 896 24.275 16.687 12.887 1.00 22.46 A O\nATOM 1557 CB ASP A 896 23.246 16.817 9.833 1.00 28.43 A C\nATOM 1558 CG ASP A 896 23.121 17.900 8.737 1.00 31.24 A C\nATOM 1559 OD1 ASP A 896 22.115 17.834 7.982 1.00 27.91 A O\nATOM 1560 OD2 ASP A 896 23.997 18.781 8.573 1.00 26.34 A O\nATOM 1561 N VAL A 897 24.598 14.736 11.846 1.00 20.23 A N\nATOM 1562 CA VAL A 897 24.610 13.991 13.102 1.00 19.28 A C\nATOM 1563 C VAL A 897 25.629 14.450 14.120 1.00 25.81 A C\nATOM 1564 O VAL A 897 25.320 14.560 15.295 1.00 22.78 A O\nATOM 1565 CB VAL A 897 24.658 12.448 12.868 1.00 19.54 A C\nATOM 1566 CG1 VAL A 897 24.843 11.704 14.183 1.00 19.88 A C\nATOM 1567 CG2 VAL A 897 23.325 11.945 12.233 1.00 24.43 A C\nATOM 1568 N TRP A 898 26.864 14.693 13.659 1.00 21.20 A N\nATOM 1569 CA TRP A 898 27.927 15.223 14.521 1.00 24.82 A C\nATOM 1570 C TRP A 898 27.505 16.541 15.151 1.00 23.28 A C\nATOM 1571 O TRP A 898 27.615 16.712 16.379 1.00 21.81 A O\nATOM 1572 CB TRP A 898 29.205 15.401 13.666 1.00 22.74 A C\nATOM 1573 CG TRP A 898 30.380 15.970 14.398 1.00 20.42 A C\nATOM 1574 CD1 TRP A 898 30.466 17.185 15.058 1.00 24.29 A C\nATOM 1575 CD2 TRP A 898 31.674 15.336 14.558 1.00 24.05 A C\nATOM 1576 NE1 TRP A 898 31.757 17.336 15.607 1.00 23.39 A N\nATOM 1577 CE2 TRP A 898 32.494 16.220 15.304 1.00 23.70 A C\nATOM 1578 CE3 TRP A 898 32.210 14.127 14.116 1.00 26.61 A C\nATOM 1579 CZ2 TRP A 898 33.837 15.910 15.635 1.00 27.97 A C\nATOM 1580 CZ3 TRP A 898 33.568 13.828 14.425 1.00 27.65 A C\nATOM 1581 CH2 TRP A 898 34.333 14.704 15.185 1.00 26.29 A C\nATOM 1582 N SER A 899 26.971 17.444 14.316 1.00 21.82 A N\nATOM 1583 CA SER A 899 26.558 18.772 14.763 1.00 21.42 A C\nATOM 1584 C SER A 899 25.369 18.645 15.715 1.00 24.08 A C\nATOM 1585 O SER A 899 25.228 19.457 16.652 1.00 23.02 A O\nATOM 1586 CB SER A 899 26.142 19.636 13.571 1.00 22.79 A C\nATOM 1587 OG SER A 899 27.196 19.709 12.622 1.00 29.32 A O\nATOM 1588 N TYR A 900 24.551 17.615 15.484 1.00 24.08 A N\nATOM 1589 CA TYR A 900 23.474 17.266 16.443 1.00 22.45 A C\nATOM 1590 C TYR A 900 24.039 16.904 17.797 1.00 24.83 A C\nATOM 1591 O TYR A 900 23.514 17.330 18.811 1.00 22.80 A O\nATOM 1592 CB TYR A 900 22.565 16.129 15.923 1.00 26.91 A C\nATOM 1593 CG TYR A 900 21.483 15.683 16.918 1.00 24.64 A C\nATOM 1594 CD1 TYR A 900 21.709 14.629 17.818 1.00 24.58 A C\nATOM 1595 CD2 TYR A 900 20.207 16.282 16.921 1.00 29.41 A C\nATOM 1596 CE1 TYR A 900 20.714 14.188 18.692 1.00 30.37 A C\nATOM 1597 CE2 TYR A 900 19.220 15.867 17.813 1.00 25.82 A C\nATOM 1598 CZ TYR A 900 19.472 14.819 18.694 1.00 30.20 A C\nATOM 1599 OH TYR A 900 18.495 14.386 19.571 1.00 29.23 A O\nATOM 1600 N GLY A 901 25.144 16.142 17.822 1.00 25.68 A N\nATOM 1601 CA GLY A 901 25.756 15.748 19.096 1.00 23.98 A C\nATOM 1602 C GLY A 901 26.223 17.007 19.827 1.00 24.33 A C\nATOM 1603 O GLY A 901 26.101 17.084 21.035 1.00 23.86 A O\nATOM 1604 N VAL A 902 26.818 17.960 19.086 1.00 25.05 A N\nATOM 1605 CA VAL A 902 27.315 19.214 19.683 1.00 21.83 A C\nATOM 1606 C VAL A 902 26.114 20.019 20.243 1.00 24.08 A C\nATOM 1607 O VAL A 902 26.152 20.532 21.345 1.00 26.25 A O\nATOM 1608 CB VAL A 902 28.167 20.062 18.704 1.00 24.89 A C\nATOM 1609 CG1 VAL A 902 28.771 21.289 19.420 1.00 26.81 A C\nATOM 1610 CG2 VAL A 902 29.308 19.223 18.111 1.00 22.20 A C\nATOM 1611 N THR A 903 25.058 20.097 19.457 1.00 23.91 A N\nATOM 1612 CA THR A 903 23.826 20.789 19.902 1.00 24.59 A C\nATOM 1613 C THR A 903 23.306 20.220 21.235 1.00 20.47 A C\nATOM 1614 O THR A 903 23.031 20.953 22.193 1.00 23.36 A O\nATOM 1615 CB THR A 903 22.761 20.724 18.787 1.00 22.55 A C\nATOM 1616 OG1 THR A 903 23.273 21.268 17.569 1.00 24.10 A O\nATOM 1617 CG2 THR A 903 21.429 21.492 19.168 1.00 24.23 A C\nATOM 1618 N VAL A 904 23.170 18.901 21.300 1.00 22.65 A N\nATOM 1619 CA VAL A 904 22.729 18.231 22.517 1.00 24.32 A C\nATOM 1620 C VAL A 904 23.639 18.562 23.686 1.00 29.53 A C\nATOM 1621 O VAL A 904 23.174 18.813 24.780 1.00 25.51 A O\nATOM 1622 CB VAL A 904 22.614 16.698 22.303 1.00 26.14 A C\nATOM 1623 CG1 VAL A 904 22.367 15.967 23.621 1.00 32.14 A C\nATOM 1624 CG2 VAL A 904 21.469 16.388 21.352 1.00 29.78 A C\nATOM 1625 N TRP A 905 24.951 18.547 23.442 1.00 25.37 A N\nATOM 1626 CA TRP A 905 25.909 18.952 24.450 1.00 26.02 A C\nATOM 1627 C TRP A 905 25.618 20.397 24.929 1.00 25.24 A C\nATOM 1628 O TRP A 905 25.647 20.692 26.122 1.00 25.58 A O\nATOM 1629 CB TRP A 905 27.344 18.846 23.879 1.00 27.12 A C\nATOM 1630 CG TRP A 905 28.457 19.135 24.901 1.00 29.75 A C\nATOM 1631 CD1 TRP A 905 29.071 18.227 25.727 1.00 29.86 A C\nATOM 1632 CD2 TRP A 905 29.059 20.406 25.194 1.00 29.09 A C\nATOM 1633 NE1 TRP A 905 30.016 18.857 26.518 1.00 27.53 A N\nATOM 1634 CE2 TRP A 905 30.038 20.187 26.202 1.00 31.67 A C\nATOM 1635 CE3 TRP A 905 28.896 21.705 24.680 1.00 29.99 A C\nATOM 1636 CZ2 TRP A 905 30.822 21.226 26.732 1.00 31.76 A C\nATOM 1637 CZ3 TRP A 905 29.670 22.739 25.211 1.00 29.19 A C\nATOM 1638 CH2 TRP A 905 30.632 22.487 26.218 1.00 31.16 A C\nATOM 1639 N GLU A 906 25.375 21.300 23.992 1.00 23.57 A N\nATOM 1640 CA GLU A 906 25.081 22.673 24.361 1.00 26.68 A C\nATOM 1641 C GLU A 906 23.849 22.707 25.272 1.00 29.46 A C\nATOM 1642 O GLU A 906 23.811 23.439 26.244 1.00 30.72 A O\nATOM 1643 CB GLU A 906 24.731 23.494 23.126 1.00 29.21 A C\nATOM 1644 CG GLU A 906 25.885 23.793 22.205 1.00 26.76 A C\nATOM 1645 CD GLU A 906 25.419 24.646 21.045 1.00 26.29 A C\nATOM 1646 OE1 GLU A 906 25.522 25.884 21.177 1.00 28.98 A O\nATOM 1647 OE2 GLU A 906 24.934 24.103 20.035 1.00 28.76 A O\nATOM 1648 N LEU A 907 22.852 21.897 24.946 1.00 28.88 A N\nATOM 1649 CA LEU A 907 21.629 21.859 25.737 1.00 31.17 A C\nATOM 1650 C LEU A 907 21.876 21.375 27.176 1.00 30.41 A C\nATOM 1651 O LEU A 907 21.476 22.031 28.157 1.00 31.35 A O\nATOM 1652 CB LEU A 907 20.588 20.965 25.036 1.00 30.07 A C\nATOM 1653 CG LEU A 907 20.073 21.493 23.692 1.00 29.46 A C\nATOM 1654 CD1 LEU A 907 18.881 20.670 23.250 1.00 32.66 A C\nATOM 1655 CD2 LEU A 907 19.698 22.976 23.760 1.00 30.38 A C\nATOM 1656 N MET A 908 22.572 20.248 27.280 1.00 33.26 A N\nATOM 1657 CA MET A 908 22.815 19.567 28.555 1.00 33.03 A C\nATOM 1658 C MET A 908 23.776 20.319 29.480 1.00 33.19 A C\nATOM 1659 O MET A 908 23.833 20.034 30.667 1.00 32.50 A O\nATOM 1660 CB MET A 908 23.378 18.162 28.308 1.00 29.57 A C\nATOM 1661 CG MET A 908 22.499 17.227 27.502 1.00 31.43 A C\nATOM 1662 SD MET A 908 20.915 16.950 28.305 1.00 38.14 A S\nATOM 1663 CE MET A 908 19.955 16.171 26.994 1.00 35.57 A C\nATOM 1664 N THR A 909 24.529 21.266 28.926 1.00 34.84 A N\nATOM 1665 CA THR A 909 25.422 22.110 29.715 1.00 31.46 A C\nATOM 1666 C THR A 909 24.758 23.462 29.973 1.00 35.43 A C\nATOM 1667 O THR A 909 25.369 24.375 30.533 1.00 33.37 A O\nATOM 1668 CB THR A 909 26.755 22.383 28.990 1.00 30.17 A C\nATOM 1669 OG1 THR A 909 26.503 23.074 27.759 1.00 32.39 A O\nATOM 1670 CG2 THR A 909 27.548 21.085 28.733 1.00 34.41 A C\nATOM 1671 N PHE A 910 23.507 23.580 29.542 1.00 32.72 A N\nATOM 1672 CA PHE A 910 22.753 24.834 29.661 1.00 39.49 A C\nATOM 1673 C PHE A 910 23.452 25.975 28.916 1.00 37.32 A C\nATOM 1674 O PHE A 910 23.512 27.121 29.379 1.00 34.56 A O\nATOM 1675 CB PHE A 910 22.465 25.145 31.144 1.00 38.60 A C\nATOM 1676 CG PHE A 910 21.737 24.031 31.852 1.00 35.82 A C\nATOM 1677 CD1 PHE A 910 20.360 23.874 31.695 1.00 42.92 A C\nATOM 1678 CD2 PHE A 910 22.424 23.129 32.671 1.00 39.39 A C\nATOM 1679 CE1 PHE A 910 19.684 22.843 32.335 1.00 38.58 A C\nATOM 1680 CE2 PHE A 910 21.751 22.095 33.320 1.00 38.85 A C\nATOM 1681 CZ PHE A 910 20.377 21.960 33.156 1.00 39.25 A C\nATOM 1682 N GLY A 911 23.972 25.646 27.741 1.00 30.24 A N\nATOM 1683 CA GLY A 911 24.480 26.659 26.818 1.00 30.44 A C\nATOM 1684 C GLY A 911 25.938 27.038 26.976 1.00 31.34 A C\nATOM 1685 O GLY A 911 26.322 28.160 26.631 1.00 31.20 A O\nATOM 1686 N SER A 912 26.761 26.109 27.461 1.00 34.43 A N\nATOM 1687 CA SER A 912 28.216 26.310 27.408 1.00 32.44 A C\nATOM 1688 C SER A 912 28.744 26.398 25.977 1.00 30.35 A C\nATOM 1689 O SER A 912 28.186 25.815 25.051 1.00 29.13 A O\nATOM 1690 CB SER A 912 28.963 25.201 28.160 1.00 37.09 A C\nATOM 1691 OG SER A 912 28.615 25.224 29.524 1.00 37.39 A O\nATOM 1692 N LYS A 913 29.864 27.105 25.822 1.00 34.33 A N\nATOM 1693 CA LYS A 913 30.544 27.258 24.535 1.00 36.05 A C\nATOM 1694 C LYS A 913 31.469 26.073 24.282 1.00 36.45 A C\nATOM 1695 O LYS A 913 32.367 25.819 25.085 1.00 32.75 A O\nATOM 1696 CB LYS A 913 31.374 28.541 24.538 1.00 37.89 A C\nATOM 1697 CG LYS A 913 30.549 29.809 24.490 1.00 41.62 A C\nATOM 1698 CD LYS A 913 31.439 31.046 24.591 1.00 54.77 A C\nATOM 1699 CE LYS A 913 32.281 31.258 23.338 1.00 63.20 A C\nATOM 1700 NZ LYS A 913 33.156 32.457 23.448 1.00 79.59 A N\nATOM 1701 N PRO A 914 31.254 25.337 23.175 1.00 34.16 A N\nATOM 1702 CA PRO A 914 32.058 24.118 22.968 1.00 29.10 A C\nATOM 1703 C PRO A 914 33.536 24.481 22.719 1.00 34.77 A C\nATOM 1704 O PRO A 914 33.814 25.439 21.996 1.00 33.33 A O\nATOM 1705 CB PRO A 914 31.411 23.481 21.733 1.00 33.91 A C\nATOM 1706 CG PRO A 914 30.778 24.614 21.005 1.00 34.78 A C\nATOM 1707 CD PRO A 914 30.298 25.560 22.076 1.00 32.97 A C\nATOM 1708 N TYR A 915 34.458 23.737 23.325 1.00 33.25 A N\nATOM 1709 CA TYR A 915 35.895 23.998 23.177 1.00 33.85 A C\nATOM 1710 C TYR A 915 36.207 25.471 23.468 1.00 39.64 A C\nATOM 1711 O TYR A 915 36.948 26.117 22.718 1.00 45.53 A O\nATOM 1712 CB TYR A 915 36.364 23.665 21.764 1.00 33.52 A C\nATOM 1713 CG TYR A 915 35.818 22.388 21.190 1.00 29.32 A C\nATOM 1714 CD1 TYR A 915 36.385 21.162 21.511 1.00 32.58 A C\nATOM 1715 CD2 TYR A 915 34.742 22.417 20.307 1.00 36.08 A C\nATOM 1716 CE1 TYR A 915 35.888 19.981 20.977 1.00 33.76 A C\nATOM 1717 CE2 TYR A 915 34.231 21.250 19.767 1.00 31.31 A C\nATOM 1718 CZ TYR A 915 34.802 20.038 20.107 1.00 30.34 A C\nATOM 1719 OH TYR A 915 34.315 18.876 19.539 1.00 36.05 A O\nATOM 1720 N ASP A 916 35.618 25.991 24.543 1.00 43.33 A N\nATOM 1721 CA ASP A 916 35.768 27.396 24.940 1.00 48.23 A C\nATOM 1722 C ASP A 916 37.254 27.719 25.124 1.00 48.30 A C\nATOM 1723 O ASP A 916 37.983 26.961 25.774 1.00 46.71 A O\nATOM 1724 CB ASP A 916 34.988 27.650 26.242 1.00 52.14 A C\nATOM 1725 CG ASP A 916 34.922 29.136 26.628 1.00 54.58 A C\nATOM 1726 OD1 ASP A 916 34.708 29.421 27.821 1.00 60.52 A O\nATOM 1727 OD2 ASP A 916 35.064 30.008 25.751 1.00 47.27 A O\nATOM 1728 N GLY A 917 37.697 28.813 24.511 1.00 56.46 A N\nATOM 1729 CA GLY A 917 39.085 29.258 24.635 1.00 76.19 A C\nATOM 1730 C GLY A 917 40.035 28.671 23.604 1.00 72.63 A C\nATOM 1731 O GLY A 917 41.021 29.316 23.238 1.00 63.76 A O\nATOM 1732 N ILE A 918 39.738 27.452 23.143 1.00 63.90 A N\nATOM 1733 CA ILE A 918 40.529 26.764 22.114 1.00 49.40 A C\nATOM 1734 C ILE A 918 40.345 27.411 20.732 1.00 55.67 A C\nATOM 1735 O ILE A 918 39.215 27.569 20.259 1.00 53.67 A O\nATOM 1736 CB ILE A 918 40.247 25.246 22.089 1.00 58.39 A C\nATOM 1737 CG1 ILE A 918 40.788 24.592 23.362 1.00 67.71 A C\nATOM 1738 CG2 ILE A 918 40.855 24.585 20.856 1.00 49.74 A C\nATOM 1739 CD1 ILE A 918 40.277 23.185 23.600 1.00 83.95 A C\nATOM 1740 N PRO A 919 41.465 27.809 20.091 1.00 55.34 A N\nATOM 1741 CA PRO A 919 41.367 28.478 18.797 1.00 51.65 A C\nATOM 1742 C PRO A 919 40.839 27.524 17.737 1.00 46.00 A C\nATOM 1743 O PRO A 919 41.228 26.335 17.700 1.00 36.86 A O\nATOM 1744 CB PRO A 919 42.817 28.854 18.466 1.00 48.91 A C\nATOM 1745 CG PRO A 919 43.602 28.650 19.726 1.00 59.54 A C\nATOM 1746 CD PRO A 919 42.867 27.590 20.494 1.00 61.20 A C\nATOM 1747 N ALA A 920 39.982 28.055 16.877 1.00 42.96 A N\nATOM 1748 CA ALA A 920 39.380 27.267 15.795 1.00 53.07 A C\nATOM 1749 C ALA A 920 40.428 26.554 14.926 1.00 52.49 A C\nATOM 1750 O ALA A 920 40.200 25.430 14.477 1.00 39.45 A O\nATOM 1751 CB ALA A 920 38.482 28.136 14.939 1.00 41.74 A C\nATOM 1752 N SER A 921 41.578 27.191 14.706 1.00 42.14 A N\nATOM 1753 CA SER A 921 42.638 26.564 13.918 1.00 38.91 A C\nATOM 1754 C SER A 921 43.218 25.280 14.535 1.00 41.47 A C\nATOM 1755 O SER A 921 43.852 24.491 13.834 1.00 45.17 A O\nATOM 1756 CB SER A 921 43.758 27.580 13.611 1.00 43.76 A C\nATOM 1757 OG SER A 921 44.498 27.894 14.783 1.00 45.49 A O\nATOM 1758 N GLU A 922 42.994 25.066 15.832 1.00 38.81 A N\nATOM 1759 CA GLU A 922 43.508 23.877 16.524 1.00 37.90 A C\nATOM 1760 C GLU A 922 42.483 22.741 16.610 1.00 32.89 A C\nATOM 1761 O GLU A 922 42.824 21.636 17.051 1.00 37.01 A O\nATOM 1762 CB GLU A 922 43.996 24.218 17.938 1.00 43.95 A C\nATOM 1763 CG GLU A 922 45.241 25.107 17.988 1.00 58.60 A C\nATOM 1764 CD GLU A 922 46.562 24.340 17.959 1.00 74.68 A C\nATOM 1765 OE1 GLU A 922 47.536 24.836 18.567 1.00 92.16 A O\nATOM 1766 OE2 GLU A 922 46.653 23.253 17.338 1.00 65.14 A O\nATOM 1767 N ILE A 923 41.253 22.998 16.186 1.00 36.85 A N\nATOM 1768 CA ILE A 923 40.183 21.993 16.380 1.00 30.58 A C\nATOM 1769 C ILE A 923 40.420 20.666 15.649 1.00 27.72 A C\nATOM 1770 O ILE A 923 40.283 19.600 16.258 1.00 32.41 A O\nATOM 1771 CB ILE A 923 38.766 22.575 16.099 1.00 36.31 A C\nATOM 1772 CG1 ILE A 923 38.369 23.629 17.159 1.00 35.07 A C\nATOM 1773 CG2 ILE A 923 37.725 21.455 16.020 1.00 31.73 A C\nATOM 1774 CD1 ILE A 923 38.250 23.123 18.592 1.00 32.22 A C\nATOM 1775 N SER A 924 40.756 20.704 14.355 1.00 28.13 A N\nATOM 1776 CA SER A 924 41.002 19.463 13.633 1.00 35.63 A C\nATOM 1777 C SER A 924 42.110 18.610 14.291 1.00 34.96 A C\nATOM 1778 O SER A 924 41.992 17.378 14.352 1.00 29.18 A O\nATOM 1779 CB SER A 924 41.305 19.725 12.150 1.00 39.13 A C\nATOM 1780 OG SER A 924 42.613 20.267 11.983 1.00 41.55 A O\nATOM 1781 N SER A 925 43.194 19.226 14.792 1.00 38.53 A N\nATOM 1782 CA SER A 925 44.236 18.385 15.393 1.00 37.45 A C\nATOM 1783 C SER A 925 43.771 17.767 16.716 1.00 35.21 A C\nATOM 1784 O SER A 925 44.032 16.602 16.994 1.00 33.66 A O\nATOM 1785 CB SER A 925 45.579 19.125 15.558 1.00 47.26 A C\nATOM 1786 OG SER A 925 45.435 20.233 16.416 1.00 54.50 A O\nATOM 1787 N ILE A 926 43.029 18.547 17.497 1.00 35.17 A N\nATOM 1788 CA ILE A 926 42.404 18.065 18.728 1.00 40.33 A C\nATOM 1789 C ILE A 926 41.474 16.855 18.453 1.00 34.53 A C\nATOM 1790 O ILE A 926 41.637 15.787 19.056 1.00 32.95 A O\nATOM 1791 CB ILE A 926 41.718 19.262 19.443 1.00 44.79 A C\nATOM 1792 CG1 ILE A 926 42.727 19.924 20.400 1.00 48.92 A C\nATOM 1793 CG2 ILE A 926 40.399 18.888 20.114 1.00 51.95 A C\nATOM 1794 CD1 ILE A 926 42.280 21.255 20.973 1.00 61.81 A C\nATOM 1795 N LEU A 927 40.532 17.007 17.520 1.00 37.12 A N\nATOM 1796 CA LEU A 927 39.655 15.893 17.106 1.00 32.43 A C\nATOM 1797 C LEU A 927 40.412 14.654 16.605 1.00 30.80 A C\nATOM 1798 O LEU A 927 40.043 13.515 16.922 1.00 31.95 A O\nATOM 1799 CB LEU A 927 38.673 16.349 16.012 1.00 30.99 A C\nATOM 1800 CG LEU A 927 37.709 17.440 16.463 1.00 32.53 A C\nATOM 1801 CD1 LEU A 927 36.815 17.889 15.312 1.00 33.89 A C\nATOM 1802 CD2 LEU A 927 36.891 16.918 17.625 1.00 30.69 A C\nATOM 1803 N GLU A 928 41.450 14.888 15.810 1.00 37.01 A N\nATOM 1804 CA GLU A 928 42.284 13.804 15.268 1.00 39.13 A C\nATOM 1805 C GLU A 928 43.002 13.019 16.360 1.00 41.39 A C\nATOM 1806 O GLU A 928 43.225 11.816 16.209 1.00 38.80 A O\nATOM 1807 CB GLU A 928 43.307 14.339 14.255 1.00 40.49 A C\nATOM 1808 CG GLU A 928 42.754 14.636 12.870 1.00 44.84 A C\nATOM 1809 CD GLU A 928 43.660 15.532 12.036 1.00 69.64 A C\nATOM 1810 OE1 GLU A 928 43.599 15.442 10.790 1.00 74.90 A O\nATOM 1811 OE2 GLU A 928 44.432 16.332 12.616 1.00 62.95 A O\nATOM 1812 N LYS A 929 43.370 13.694 17.448 1.00 40.90 A N\nATOM 1813 CA LYS A 929 44.002 13.020 18.591 1.00 41.80 A C\nATOM 1814 C LYS A 929 43.006 12.231 19.453 1.00 46.80 A C\nATOM 1815 O LYS A 929 43.398 11.536 20.394 1.00 44.25 A O\nATOM 1816 CB LYS A 929 44.758 14.025 19.459 1.00 50.08 A C\nATOM 1817 CG LYS A 929 45.966 14.663 18.770 1.00 40.31 A C\nATOM 1818 CD LYS A 929 46.644 15.696 19.666 1.00 67.33 A C\nATOM 1819 CE LYS A 929 47.436 15.043 20.796 1.00 79.96 A C\nATOM 1820 NZ LYS A 929 48.135 16.035 21.664 1.00 77.70 A N\nATOM 1821 N GLY A 930 41.721 12.345 19.125 1.00 37.47 A N\nATOM 1822 CA GLY A 930 40.652 11.633 19.840 1.00 39.43 A C\nATOM 1823 C GLY A 930 39.970 12.436 20.930 1.00 38.99 A C\nATOM 1824 O GLY A 930 39.110 11.903 21.646 1.00 41.30 A O\nATOM 1825 N GLU A 931 40.330 13.714 21.069 1.00 32.16 A N\nATOM 1826 CA GLU A 931 39.759 14.534 22.132 1.00 32.85 A C\nATOM 1827 C GLU A 931 38.329 14.954 21.745 1.00 28.27 A C\nATOM 1828 O GLU A 931 38.075 15.227 20.573 1.00 28.77 A O\nATOM 1829 CB GLU A 931 40.603 15.762 22.393 1.00 36.69 A C\nATOM 1830 CG GLU A 931 40.082 16.662 23.503 1.00 49.53 A C\nATOM 1831 CD GLU A 931 41.036 17.806 23.818 1.00 69.08 A C\nATOM 1832 OE1 GLU A 931 42.249 17.685 23.508 1.00 53.32 A O\nATOM 1833 OE2 GLU A 931 40.568 18.828 24.374 1.00 53.97 A O\nATOM 1834 N ARG A 932 37.436 14.994 22.732 1.00 32.01 A N\nATOM 1835 CA ARG A 932 35.995 15.304 22.490 1.00 28.11 A C\nATOM 1836 C ARG A 932 35.471 16.272 23.565 1.00 32.94 A C\nATOM 1837 O ARG A 932 36.145 16.500 24.574 1.00 32.49 A O\nATOM 1838 CB ARG A 932 35.184 14.002 22.501 1.00 26.86 A C\nATOM 1839 CG ARG A 932 35.365 13.048 21.316 1.00 27.27 A C\nATOM 1840 CD ARG A 932 35.153 13.715 19.958 1.00 27.89 A C\nATOM 1841 NE ARG A 932 35.303 12.791 18.844 1.00 28.64 A N\nATOM 1842 CZ ARG A 932 36.449 12.531 18.213 1.00 43.88 A C\nATOM 1843 NH1 ARG A 932 36.458 11.657 17.217 1.00 36.00 A N\nATOM 1844 NH2 ARG A 932 37.584 13.133 18.580 1.00 28.88 A N\nATOM 1845 N LEU A 933 34.284 16.855 23.361 1.00 28.49 A N\nATOM 1846 CA LEU A 933 33.643 17.646 24.416 1.00 26.44 A C\nATOM 1847 C LEU A 933 33.400 16.752 25.622 1.00 27.19 A C\nATOM 1848 O LEU A 933 33.077 15.575 25.443 1.00 32.58 A O\nATOM 1849 CB LEU A 933 32.311 18.241 23.907 1.00 29.48 A C\nATOM 1850 CG LEU A 933 32.510 19.274 22.790 1.00 28.80 A C\nATOM 1851 CD1 LEU A 933 31.191 19.477 22.015 1.00 25.49 A C\nATOM 1852 CD2 LEU A 933 33.058 20.587 23.368 1.00 24.54 A C\nATOM 1853 N PRO A 934 33.563 17.290 26.848 1.00 29.32 A N\nATOM 1854 CA PRO A 934 33.465 16.519 28.091 1.00 31.42 A C\nATOM 1855 C PRO A 934 32.034 16.165 28.451 1.00 31.97 A C\nATOM 1856 O PRO A 934 31.093 16.860 28.022 1.00 30.19 A O\nATOM 1857 CB PRO A 934 34.021 17.485 29.144 1.00 39.73 A C\nATOM 1858 CG PRO A 934 33.717 18.844 28.599 1.00 38.13 A C\nATOM 1859 CD PRO A 934 33.907 18.703 27.109 1.00 35.28 A C\nATOM 1860 N GLN A 935 31.885 15.115 29.245 1.00 30.53 A N\nATOM 1861 CA GLN A 935 30.573 14.712 29.766 1.00 29.08 A C\nATOM 1862 C GLN A 935 29.934 15.848 30.576 1.00 32.66 A C\nATOM 1863 O GLN A 935 30.528 16.340 31.528 1.00 36.94 A O\nATOM 1864 CB GLN A 935 30.703 13.453 30.638 1.00 32.68 A C\nATOM 1865 CG GLN A 935 29.388 13.003 31.278 1.00 37.61 A C\nATOM 1866 CD GLN A 935 29.522 11.707 32.068 1.00 41.28 A C\nATOM 1867 OE1 GLN A 935 30.577 11.088 32.077 1.00 38.24 A O\nATOM 1868 NE2 GLN A 935 28.447 11.306 32.755 1.00 34.59 A N\nATOM 1869 N PRO A 936 28.713 16.273 30.190 1.00 36.45 A N\nATOM 1870 CA PRO A 936 28.008 17.267 31.005 1.00 39.54 A C\nATOM 1871 C PRO A 936 27.664 16.677 32.377 1.00 36.69 A C\nATOM 1872 O PRO A 936 27.317 15.497 32.453 1.00 35.68 A O\nATOM 1873 CB PRO A 936 26.741 17.562 30.181 1.00 34.20 A C\nATOM 1874 CG PRO A 936 27.131 17.223 28.774 1.00 32.85 A C\nATOM 1875 CD PRO A 936 27.993 15.990 28.938 1.00 36.06 A C\nATOM 1876 N PRO A 937 27.830 17.472 33.457 1.00 38.32 A N\nATOM 1877 CA PRO A 937 27.599 17.015 34.833 1.00 40.21 A C\nATOM 1878 C PRO A 937 26.233 16.386 35.062 1.00 40.46 A C\nATOM 1879 O PRO A 937 26.126 15.433 35.842 1.00 37.59 A O\nATOM 1880 CB PRO A 937 27.741 18.296 35.655 1.00 46.41 A C\nATOM 1881 CG PRO A 937 28.715 19.118 34.886 1.00 46.70 A C\nATOM 1882 CD PRO A 937 28.506 18.788 33.426 1.00 39.47 A C\nATOM 1883 N ILE A 938 25.204 16.876 34.374 1.00 34.10 A N\nATOM 1884 CA ILE A 938 23.855 16.329 34.558 1.00 37.91 A C\nATOM 1885 C ILE A 938 23.631 14.986 33.839 1.00 37.49 A C\nATOM 1886 O ILE A 938 22.660 14.289 34.126 1.00 41.11 A O\nATOM 1887 CB ILE A 938 22.731 17.329 34.163 1.00 33.35 A C\nATOM 1888 CG1 ILE A 938 22.714 17.586 32.640 1.00 35.59 A C\nATOM 1889 CG2 ILE A 938 22.828 18.633 34.966 1.00 36.27 A C\nATOM 1890 CD1 ILE A 938 21.420 18.224 32.136 1.00 34.32 A C\nATOM 1891 N CYS A 939 24.516 14.620 32.915 1.00 34.04 A N\nATOM 1892 CA CYS A 939 24.244 13.437 32.081 1.00 31.20 A C\nATOM 1893 C CYS A 939 24.743 12.159 32.706 1.00 36.53 A C\nATOM 1894 O CYS A 939 25.908 12.071 33.106 1.00 31.88 A O\nATOM 1895 CB CYS A 939 24.905 13.551 30.709 1.00 32.11 A C\nATOM 1896 SG CYS A 939 24.327 14.888 29.665 1.00 37.25 A S\nATOM 1897 N THR A 940 23.891 11.141 32.747 1.00 32.45 A N\nATOM 1898 CA THR A 940 24.426 9.802 32.980 1.00 35.97 A C\nATOM 1899 C THR A 940 25.287 9.401 31.793 1.00 34.97 A C\nATOM 1900 O THR A 940 25.203 10.005 30.717 1.00 33.70 A O\nATOM 1901 CB THR A 940 23.305 8.757 33.128 1.00 35.72 A C\nATOM 1902 OG1 THR A 940 22.500 8.763 31.945 1.00 39.68 A O\nATOM 1903 CG2 THR A 940 22.449 9.071 34.363 1.00 40.81 A C\nATOM 1904 N ILE A 941 26.085 8.351 31.966 1.00 33.98 A N\nATOM 1905 CA ILE A 941 26.923 7.835 30.883 1.00 36.66 A C\nATOM 1906 C ILE A 941 26.138 7.370 29.646 1.00 29.75 A C\nATOM 1907 O ILE A 941 26.623 7.493 28.531 1.00 33.08 A O\nATOM 1908 CB ILE A 941 27.930 6.758 31.391 1.00 41.29 A C\nATOM 1909 CG1 ILE A 941 29.080 6.560 30.399 1.00 41.07 A C\nATOM 1910 CG2 ILE A 941 27.233 5.445 31.720 1.00 36.91 A C\nATOM 1911 CD1 ILE A 941 30.126 7.650 30.441 1.00 44.87 A C\nATOM 1912 N ASP A 942 24.925 6.850 29.840 1.00 35.62 A N\nATOM 1913 CA ASP A 942 24.058 6.438 28.727 1.00 35.94 A C\nATOM 1914 C ASP A 942 23.799 7.600 27.757 1.00 33.14 A C\nATOM 1915 O ASP A 942 23.804 7.423 26.529 1.00 31.94 A O\nATOM 1916 CB ASP A 942 22.716 5.941 29.274 1.00 34.61 A C\nATOM 1917 CG ASP A 942 22.882 4.975 30.427 1.00 57.33 A C\nATOM 1918 OD1 ASP A 942 22.854 3.759 30.156 1.00 55.48 A O\nATOM 1919 OD2 ASP A 942 23.075 5.431 31.589 1.00 61.31 A O\nATOM 1920 N VAL A 943 23.575 8.782 28.316 1.00 31.75 A N\nATOM 1921 CA VAL A 943 23.296 9.965 27.488 1.00 32.99 A C\nATOM 1922 C VAL A 943 24.574 10.469 26.835 1.00 32.91 A C\nATOM 1923 O VAL A 943 24.594 10.757 25.638 1.00 30.24 A O\nATOM 1924 CB VAL A 943 22.603 11.095 28.278 1.00 38.37 A C\nATOM 1925 CG1 VAL A 943 22.510 12.373 27.438 1.00 34.73 A C\nATOM 1926 CG2 VAL A 943 21.217 10.649 28.705 1.00 36.83 A C\nATOM 1927 N TYR A 944 25.647 10.557 27.612 1.00 32.14 A N\nATOM 1928 CA TYR A 944 26.927 10.980 27.042 1.00 31.45 A C\nATOM 1929 C TYR A 944 27.404 10.020 25.942 1.00 29.66 A C\nATOM 1930 O TYR A 944 27.973 10.463 24.949 1.00 30.29 A O\nATOM 1931 CB TYR A 944 27.964 11.172 28.146 1.00 31.25 A C\nATOM 1932 CG TYR A 944 29.292 11.716 27.677 1.00 33.16 A C\nATOM 1933 CD1 TYR A 944 30.480 11.078 28.026 1.00 38.27 A C\nATOM 1934 CD2 TYR A 944 29.363 12.874 26.876 1.00 30.07 A C\nATOM 1935 CE1 TYR A 944 31.701 11.576 27.611 1.00 34.59 A C\nATOM 1936 CE2 TYR A 944 30.586 13.381 26.456 1.00 30.25 A C\nATOM 1937 CZ TYR A 944 31.740 12.734 26.829 1.00 33.30 A C\nATOM 1938 OH TYR A 944 32.946 13.214 26.403 1.00 32.21 A O\nATOM 1939 N MET A 945 27.179 8.710 26.113 1.00 28.39 A N\nATOM 1940 CA MET A 945 27.573 7.751 25.079 1.00 31.97 A C\nATOM 1941 C MET A 945 26.931 8.061 23.738 1.00 36.65 A C\nATOM 1942 O MET A 945 27.522 7.845 22.690 1.00 28.47 A O\nATOM 1943 CB MET A 945 27.202 6.316 25.454 1.00 38.25 A C\nATOM 1944 CG MET A 945 28.192 5.594 26.346 1.00 55.75 A C\nATOM 1945 SD MET A 945 29.792 5.350 25.555 1.00 67.50 A S\nATOM 1946 CE MET A 945 30.653 6.763 26.204 1.00 33.80 A C\nATOM 1947 N ILE A 946 25.689 8.529 23.763 1.00 30.37 A N\nATOM 1948 CA ILE A 946 25.062 8.912 22.527 1.00 31.60 A C\nATOM 1949 C ILE A 946 25.826 10.040 21.849 1.00 24.60 A C\nATOM 1950 O ILE A 946 26.081 9.958 20.654 1.00 26.88 A O\nATOM 1951 CB ILE A 946 23.604 9.359 22.747 1.00 34.97 A C\nATOM 1952 CG1 ILE A 946 22.796 8.227 23.371 1.00 41.69 A C\nATOM 1953 CG2 ILE A 946 22.984 9.808 21.430 1.00 36.80 A C\nATOM 1954 CD1 ILE A 946 21.374 8.639 23.700 1.00 41.79 A C\nATOM 1955 N MET A 947 26.132 11.097 22.606 1.00 24.86 A N\nATOM 1956 CA MET A 947 26.870 12.239 22.100 1.00 30.27 A C\nATOM 1957 C MET A 947 28.209 11.750 21.532 1.00 28.44 A C\nATOM 1958 O MET A 947 28.639 12.157 20.443 1.00 29.20 A O\nATOM 1959 CB MET A 947 27.147 13.237 23.233 1.00 31.12 A C\nATOM 1960 CG MET A 947 26.092 14.323 23.437 1.00 37.09 A C\nATOM 1961 SD MET A 947 26.416 15.215 24.976 1.00 41.55 A S\nATOM 1962 CE MET A 947 25.321 14.328 26.057 1.00 38.59 A C\nATOM 1963 N VAL A 948 28.856 10.867 22.284 1.00 27.85 A N\nATOM 1964 CA VAL A 948 30.157 10.315 21.867 1.00 28.13 A C\nATOM 1965 C VAL A 948 30.089 9.557 20.548 1.00 25.79 A C\nATOM 1966 O VAL A 948 30.941 9.740 19.686 1.00 26.90 A O\nATOM 1967 CB VAL A 948 30.817 9.463 22.997 1.00 35.26 A C\nATOM 1968 CG1 VAL A 948 32.037 8.701 22.473 1.00 32.02 A C\nATOM 1969 CG2 VAL A 948 31.236 10.376 24.148 1.00 32.56 A C\nATOM 1970 N LYS A 949 29.031 8.755 20.361 1.00 27.83 A N\nATOM 1971 CA LYS A 949 28.774 8.081 19.101 1.00 27.08 A C\nATOM 1972 C LYS A 949 28.585 9.047 17.933 1.00 25.07 A C\nATOM 1973 O LYS A 949 29.025 8.744 16.823 1.00 24.22 A O\nATOM 1974 CB LYS A 949 27.539 7.151 19.198 1.00 30.67 A C\nATOM 1975 CG LYS A 949 27.699 5.954 20.116 1.00 50.64 A C\nATOM 1976 CD LYS A 949 26.468 5.062 20.040 1.00 51.67 A C\nATOM 1977 CE LYS A 949 26.423 4.044 21.167 1.00 82.77 A C\nATOM 1978 NZ LYS A 949 25.147 3.272 21.132 1.00 91.62 A N\nATOM 1979 N CYS A 950 27.916 10.191 18.177 1.00 25.41 A N\nATOM 1980 CA CYS A 950 27.705 11.180 17.129 1.00 19.95 A C\nATOM 1981 C CYS A 950 29.041 11.770 16.638 1.00 23.74 A C\nATOM 1982 O CYS A 950 29.101 12.339 15.565 1.00 25.93 A O\nATOM 1983 CB CYS A 950 26.879 12.333 17.670 1.00 19.18 A C\nATOM 1984 SG CYS A 950 25.132 11.865 17.902 1.00 27.36 A S\nATOM 1985 N TRP A 951 30.088 11.654 17.440 1.00 26.52 A N\nATOM 1986 CA TRP A 951 31.397 12.217 17.056 1.00 25.40 A C\nATOM 1987 C TRP A 951 32.490 11.223 16.667 1.00 26.10 A C\nATOM 1988 O TRP A 951 33.711 11.543 16.678 1.00 28.21 A O\nATOM 1989 CB TRP A 951 31.924 13.148 18.145 1.00 29.36 A C\nATOM 1990 CG TRP A 951 30.945 14.182 18.676 1.00 26.70 A C\nATOM 1991 CD1 TRP A 951 30.089 14.983 17.956 1.00 24.99 A C\nATOM 1992 CD2 TRP A 951 30.788 14.550 20.045 1.00 27.29 A C\nATOM 1993 NE1 TRP A 951 29.440 15.834 18.802 1.00 24.81 A N\nATOM 1994 CE2 TRP A 951 29.813 15.567 20.092 1.00 28.56 A C\nATOM 1995 CE3 TRP A 951 31.365 14.099 21.250 1.00 21.85 A C\nATOM 1996 CZ2 TRP A 951 29.396 16.145 21.294 1.00 29.28 A C\nATOM 1997 CZ3 TRP A 951 30.964 14.656 22.427 1.00 26.79 A C\nATOM 1998 CH2 TRP A 951 29.962 15.679 22.449 1.00 25.12 A C\nATOM 1999 N MET A 952 32.068 10.028 16.295 1.00 28.04 A N\nATOM 2000 CA MET A 952 32.971 9.031 15.724 1.00 31.49 A C\nATOM 2001 C MET A 952 33.558 9.485 14.406 1.00 31.35 A C\nATOM 2002 O MET A 952 32.898 10.092 13.574 1.00 22.79 A O\nATOM 2003 CB MET A 952 32.235 7.699 15.549 1.00 29.84 A C\nATOM 2004 CG MET A 952 31.955 7.055 16.881 1.00 35.69 A C\nATOM 2005 SD MET A 952 31.264 5.418 16.645 1.00 50.21 A S\nATOM 2006 CE MET A 952 29.532 5.748 16.482 1.00 49.56 A C\nATOM 2007 N ILE A 953 34.849 9.215 14.207 1.00 26.28 A N\nATOM 2008 CA ILE A 953 35.477 9.572 12.945 1.00 26.84 A C\nATOM 2009 C ILE A 953 34.795 8.949 11.721 1.00 26.04 A C\nATOM 2010 O ILE A 953 34.618 9.606 10.661 1.00 27.41 A O\nATOM 2011 CB ILE A 953 37.008 9.189 13.002 1.00 27.73 A C\nATOM 2012 CG1 ILE A 953 37.730 10.036 14.057 1.00 41.78 A C\nATOM 2013 CG2 ILE A 953 37.658 9.347 11.637 1.00 34.33 A C\nATOM 2014 CD1 ILE A 953 37.358 11.509 14.059 1.00 44.58 A C\nATOM 2015 N ASP A 954 34.376 7.696 11.878 1.00 29.16 A N\nATOM 2016 CA ASP A 954 33.643 6.975 10.837 1.00 25.74 A C\nATOM 2017 C ASP A 954 32.196 7.450 10.801 1.00 28.20 A C\nATOM 2018 O ASP A 954 31.405 7.040 11.644 1.00 28.96 A O\nATOM 2019 CB ASP A 954 33.681 5.473 11.100 1.00 29.26 A C\nATOM 2020 CG ASP A 954 32.932 4.663 10.055 1.00 44.06 A C\nATOM 2021 OD1 ASP A 954 32.812 3.447 10.275 1.00 41.62 A O\nATOM 2022 OD2 ASP A 954 32.448 5.217 9.035 1.00 48.86 A O\nATOM 2023 N ALA A 955 31.874 8.302 9.828 1.00 23.94 A N\nATOM 2024 CA ALA A 955 30.497 8.895 9.752 1.00 27.43 A C\nATOM 2025 C ALA A 955 29.398 7.840 9.609 1.00 26.35 A C\nATOM 2026 O ALA A 955 28.243 8.053 10.075 1.00 28.83 A O\nATOM 2027 CB ALA A 955 30.425 9.862 8.584 1.00 28.45 A C\nATOM 2028 N ASP A 956 29.709 6.752 8.874 1.00 26.69 A N\nATOM 2029 CA ASP A 956 28.798 5.640 8.673 1.00 35.35 A C\nATOM 2030 C ASP A 956 28.457 4.912 9.979 1.00 40.99 A C\nATOM 2031 O ASP A 956 27.404 4.282 10.089 1.00 37.36 A O\nATOM 2032 CB ASP A 956 29.334 4.636 7.633 1.00 32.05 A C\nATOM 2033 CG ASP A 956 29.294 5.172 6.206 1.00 36.02 A C\nATOM 2034 OD1 ASP A 956 28.299 5.828 5.811 1.00 35.49 A O\nATOM 2035 OD2 ASP A 956 30.257 4.924 5.444 1.00 34.40 A O\nATOM 2036 N SER A 957 29.350 4.987 10.957 1.00 27.19 A N\nATOM 2037 CA SER A 957 29.096 4.376 12.282 1.00 33.80 A C\nATOM 2038 C SER A 957 28.258 5.210 13.267 1.00 30.15 A C\nATOM 2039 O SER A 957 27.822 4.689 14.294 1.00 29.39 A O\nATOM 2040 CB SER A 957 30.420 3.971 12.943 1.00 38.98 A C\nATOM 2041 OG SER A 957 30.965 2.841 12.272 1.00 49.31 A O\nATOM 2042 N ARG A 958 28.104 6.507 12.989 1.00 24.60 A N\nATOM 2043 CA ARG A 958 27.427 7.421 13.874 1.00 22.34 A C\nATOM 2044 C ARG A 958 25.958 6.978 13.823 1.00 26.19 A C\nATOM 2045 O ARG A 958 25.567 6.399 12.818 1.00 29.89 A O\nATOM 2046 CB ARG A 958 27.487 8.840 13.320 1.00 22.29 A C\nATOM 2047 CG ARG A 958 28.877 9.471 13.416 1.00 26.42 A C\nATOM 2048 CD ARG A 958 28.968 10.829 12.731 1.00 21.30 A C\nATOM 2049 NE ARG A 958 30.421 11.064 12.508 1.00 23.89 A N\nATOM 2050 CZ ARG A 958 30.895 11.848 11.556 1.00 24.19 A C\nATOM 2051 NH1 ARG A 958 32.214 11.950 11.405 1.00 25.65 A N\nATOM 2052 NH2 ARG A 958 30.062 12.523 10.754 1.00 24.53 A N\nATOM 2053 N PRO A 959 25.180 7.292 14.873 1.00 25.41 A N\nATOM 2054 CA PRO A 959 23.727 6.979 14.901 1.00 29.19 A C\nATOM 2055 C PRO A 959 23.027 7.670 13.743 1.00 29.90 A C\nATOM 2056 O PRO A 959 23.515 8.685 13.220 1.00 29.85 A O\nATOM 2057 CB PRO A 959 23.253 7.611 16.218 1.00 27.16 A C\nATOM 2058 CG PRO A 959 24.496 7.779 17.044 1.00 33.36 A C\nATOM 2059 CD PRO A 959 25.558 8.113 16.031 1.00 25.57 A C\nATOM 2060 N LYS A 960 21.865 7.156 13.352 1.00 29.28 A N\nATOM 2061 CA LYS A 960 21.033 7.865 12.390 1.00 30.63 A C\nATOM 2062 C LYS A 960 19.933 8.641 13.110 1.00 31.70 A C\nATOM 2063 O LYS A 960 19.543 8.314 14.221 1.00 28.52 A O\nATOM 2064 CB LYS A 960 20.365 6.870 11.429 1.00 32.29 A C\nATOM 2065 CG LYS A 960 21.313 5.899 10.741 1.00 36.44 A C\nATOM 2066 CD LYS A 960 22.209 6.612 9.746 1.00 37.47 A C\nATOM 2067 CE LYS A 960 23.462 5.782 9.499 1.00 48.14 A C\nATOM 2068 NZ LYS A 960 23.127 4.504 8.814 1.00 57.44 A N\nATOM 2069 N PHE A 961 19.394 9.652 12.456 1.00 24.91 A N\nATOM 2070 CA PHE A 961 18.433 10.468 13.137 1.00 26.97 A C\nATOM 2071 C PHE A 961 17.237 9.612 13.525 1.00 22.48 A C\nATOM 2072 O PHE A 961 16.689 9.800 14.595 1.00 26.85 A O\nATOM 2073 CB PHE A 961 18.014 11.643 12.277 1.00 33.43 A C\nATOM 2074 CG PHE A 961 19.026 12.743 12.274 1.00 24.90 A C\nATOM 2075 CD1 PHE A 961 19.358 13.369 13.466 1.00 23.94 A C\nATOM 2076 CD2 PHE A 961 19.630 13.143 11.093 1.00 24.13 A C\nATOM 2077 CE1 PHE A 961 20.352 14.358 13.498 1.00 26.04 A C\nATOM 2078 CE2 PHE A 961 20.554 14.165 11.109 1.00 27.17 A C\nATOM 2079 CZ PHE A 961 20.904 14.778 12.306 1.00 25.42 A C\nATOM 2080 N ARG A 962 16.913 8.620 12.705 1.00 24.16 A N\nATOM 2081 CA ARG A 962 15.698 7.803 12.997 1.00 32.45 A C\nATOM 2082 C ARG A 962 15.979 7.043 14.307 1.00 35.66 A C\nATOM 2083 O ARG A 962 15.109 6.916 15.173 1.00 34.39 A O\nATOM 2084 CB ARG A 962 15.393 6.848 11.821 1.00 36.50 A C\nATOM 2085 CG ARG A 962 16.445 5.762 11.594 1.00 48.32 A C\nATOM 2086 CD ARG A 962 16.647 5.384 10.127 1.00 72.54 A C\nATOM 2087 NE ARG A 962 17.491 6.337 9.388 1.00 61.27 A N\nATOM 2088 CZ ARG A 962 18.232 6.030 8.322 1.00 64.43 A C\nATOM 2089 NH1 ARG A 962 18.264 4.780 7.865 1.00 77.99 A N\nATOM 2090 NH2 ARG A 962 18.964 6.968 7.716 1.00 54.18 A N\nATOM 2091 N GLU A 963 17.232 6.598 14.462 1.00 30.85 A N\nATOM 2092 CA GLU A 963 17.713 5.932 15.695 1.00 32.05 A C\nATOM 2093 C GLU A 963 17.723 6.833 16.937 1.00 31.45 A C\nATOM 2094 O GLU A 963 17.424 6.388 18.040 1.00 29.54 A O\nATOM 2095 CB GLU A 963 19.123 5.344 15.466 1.00 37.66 A C\nATOM 2096 CG GLU A 963 19.140 4.191 14.463 1.00 39.70 A C\nATOM 2097 CD GLU A 963 20.539 3.774 14.022 1.00 60.45 A C\nATOM 2098 OE1 GLU A 963 20.644 2.752 13.313 1.00 56.23 A O\nATOM 2099 OE2 GLU A 963 21.533 4.453 14.369 1.00 41.38 A O\nATOM 2100 N LEU A 964 18.100 8.096 16.762 1.00 25.31 A N\nATOM 2101 CA LEU A 964 18.184 9.032 17.859 1.00 26.32 A C\nATOM 2102 C LEU A 964 16.778 9.424 18.328 1.00 26.13 A C\nATOM 2103 O LEU A 964 16.542 9.584 19.516 1.00 28.65 A O\nATOM 2104 CB LEU A 964 18.960 10.264 17.395 1.00 25.89 A C\nATOM 2105 CG LEU A 964 20.460 10.072 17.111 1.00 28.60 A C\nATOM 2106 CD1 LEU A 964 20.942 11.251 16.261 1.00 28.66 A C\nATOM 2107 CD2 LEU A 964 21.206 9.996 18.428 1.00 27.47 A C\nATOM 2108 N ILE A 965 15.848 9.508 17.390 1.00 28.34 A N\nATOM 2109 CA ILE A 965 14.435 9.745 17.762 1.00 26.46 A C\nATOM 2110 C ILE A 965 13.987 8.624 18.726 1.00 30.61 A C\nATOM 2111 O ILE A 965 13.446 8.890 19.807 1.00 35.75 A O\nATOM 2112 CB ILE A 965 13.507 9.775 16.531 1.00 25.40 A C\nATOM 2113 CG1 ILE A 965 13.784 10.979 15.618 1.00 25.97 A C\nATOM 2114 CG2 ILE A 965 12.032 9.811 17.000 1.00 25.35 A C\nATOM 2115 CD1 ILE A 965 13.176 10.873 14.232 1.00 30.34 A C\nATOM 2116 N ILE A 966 14.233 7.375 18.338 1.00 29.68 A N\nATOM 2117 CA ILE A 966 13.841 6.221 19.176 1.00 33.21 A C\nATOM 2118 C ILE A 966 14.534 6.232 20.529 1.00 36.70 A C\nATOM 2119 O ILE A 966 13.885 6.070 21.549 1.00 31.29 A O\nATOM 2120 CB ILE A 966 14.066 4.878 18.435 1.00 37.90 A C\nATOM 2121 CG1 ILE A 966 13.175 4.837 17.184 1.00 35.13 A C\nATOM 2122 CG2 ILE A 966 13.825 3.690 19.359 1.00 38.22 A C\nATOM 2123 CD1 ILE A 966 13.473 3.718 16.211 1.00 39.64 A C\nATOM 2124 N GLU A 967 15.857 6.436 20.546 1.00 29.87 A N\nATOM 2125 CA GLU A 967 16.596 6.395 21.799 1.00 30.45 A C\nATOM 2126 C GLU A 967 16.229 7.514 22.744 1.00 27.32 A C\nATOM 2127 O GLU A 967 16.050 7.279 23.938 1.00 31.31 A O\nATOM 2128 CB GLU A 967 18.118 6.417 21.550 1.00 29.82 A C\nATOM 2129 CG GLU A 967 18.888 6.111 22.833 1.00 41.91 A C\nATOM 2130 CD GLU A 967 20.220 5.413 22.612 1.00 67.96 A C\nATOM 2131 OE1 GLU A 967 20.706 5.384 21.459 1.00 72.73 A O\nATOM 2132 OE2 GLU A 967 20.787 4.895 23.605 1.00 71.12 A O\nATOM 2133 N PHE A 968 16.157 8.746 22.244 1.00 25.09 A N\nATOM 2134 CA PHE A 968 15.799 9.825 23.118 1.00 24.70 A C\nATOM 2135 C PHE A 968 14.334 9.732 23.526 1.00 27.77 A C\nATOM 2136 O PHE A 968 13.984 10.202 24.602 1.00 33.79 A O\nATOM 2137 CB PHE A 968 16.098 11.200 22.519 1.00 29.04 A C\nATOM 2138 CG PHE A 968 17.534 11.615 22.687 1.00 26.08 A C\nATOM 2139 CD1 PHE A 968 17.986 12.107 23.923 1.00 28.02 A C\nATOM 2140 CD2 PHE A 968 18.414 11.523 21.643 1.00 31.48 A C\nATOM 2141 CE1 PHE A 968 19.312 12.484 24.098 1.00 37.91 A C\nATOM 2142 CE2 PHE A 968 19.764 11.894 21.814 1.00 28.57 A C\nATOM 2143 CZ PHE A 968 20.193 12.375 23.040 1.00 28.34 A C\nATOM 2144 N SER A 969 13.498 9.131 22.682 1.00 30.87 A N\nATOM 2145 CA SER A 969 12.068 8.965 23.060 1.00 33.85 A C\nATOM 2146 C SER A 969 11.898 7.999 24.228 1.00 33.17 A C\nATOM 2147 O SER A 969 11.093 8.243 25.128 1.00 34.84 A O\nATOM 2148 CB SER A 969 11.181 8.532 21.883 1.00 32.06 A C\nATOM 2149 OG SER A 969 10.991 9.585 20.955 1.00 33.02 A O\nATOM 2150 N LYS A 970 12.652 6.908 24.205 1.00 32.14 A N\nATOM 2151 CA LYS A 970 12.703 5.961 25.309 1.00 37.37 A C\nATOM 2152 C LYS A 970 13.193 6.609 26.609 1.00 39.04 A C\nATOM 2153 O LYS A 970 12.638 6.378 27.685 1.00 34.22 A O\nATOM 2154 CB LYS A 970 13.586 4.781 24.930 1.00 44.71 A C\nATOM 2155 CG LYS A 970 13.514 3.603 25.888 1.00 54.40 A C\nATOM 2156 CD LYS A 970 14.842 2.871 25.914 1.00 66.75 A C\nATOM 2157 CE LYS A 970 15.858 3.647 26.735 1.00 61.14 A C\nATOM 2158 NZ LYS A 970 17.221 3.578 26.145 1.00 57.30 A N\nATOM 2159 N MET A 971 14.221 7.447 26.507 1.00 34.27 A N\nATOM 2160 CA MET A 971 14.714 8.170 27.667 1.00 38.53 A C\nATOM 2161 C MET A 971 13.699 9.182 28.205 1.00 36.40 A C\nATOM 2162 O MET A 971 13.541 9.326 29.421 1.00 37.01 A O\nATOM 2163 CB MET A 971 16.045 8.860 27.343 1.00 32.59 A C\nATOM 2164 CG MET A 971 17.187 7.876 27.201 1.00 37.63 A C\nATOM 2165 SD MET A 971 18.730 8.693 26.743 1.00 42.65 A S\nATOM 2166 CE MET A 971 19.755 7.243 26.504 1.00 41.03 A C\nATOM 2167 N ALA A 972 13.022 9.881 27.306 1.00 35.63 A N\nATOM 2168 CA ALA A 972 12.009 10.863 27.707 1.00 40.29 A C\nATOM 2169 C ALA A 972 10.846 10.214 28.471 1.00 39.74 A C\nATOM 2170 O ALA A 972 10.048 10.905 29.100 1.00 41.83 A O\nATOM 2171 CB ALA A 972 11.484 11.612 26.501 1.00 36.65 A C\nATOM 2172 N ARG A 973 10.763 8.890 28.411 1.00 38.80 A N\nATOM 2173 CA ARG A 973 9.721 8.145 29.122 1.00 45.17 A C\nATOM 2174 C ARG A 973 10.071 7.938 30.587 1.00 46.95 A C\nATOM 2175 O ARG A 973 9.193 7.680 31.408 1.00 46.82 A O\nATOM 2176 CB ARG A 973 9.460 6.799 28.448 1.00 49.11 A C\nATOM 2177 CG ARG A 973 8.497 6.894 27.281 1.00 63.00 A C\nATOM 2178 CD ARG A 973 8.006 5.523 26.852 1.00 68.86 A C\nATOM 2179 NE ARG A 973 8.972 4.845 25.992 1.00 74.80 A N\nATOM 2180 CZ ARG A 973 9.147 5.112 24.699 1.00 74.25 A C\nATOM 2181 NH1 ARG A 973 8.426 6.054 24.094 1.00 60.78 A N\nATOM 2182 NH2 ARG A 973 10.052 4.439 24.007 1.00 62.58 A N\nATOM 2183 N ASP A 974 11.356 8.059 30.913 1.00 44.27 A N\nATOM 2184 CA ASP A 974 11.825 7.902 32.281 1.00 40.09 A C\nATOM 2185 C ASP A 974 12.989 8.886 32.485 1.00 43.22 A C\nATOM 2186 O ASP A 974 14.125 8.467 32.685 1.00 44.56 A O\nATOM 2187 CB ASP A 974 12.254 6.440 32.496 1.00 49.38 A C\nATOM 2188 CG ASP A 974 12.701 6.146 33.922 1.00 50.59 A C\nATOM 2189 OD1 ASP A 974 12.452 6.968 34.825 1.00 48.82 A O\nATOM 2190 OD2 ASP A 974 13.317 5.076 34.134 1.00 59.91 A O\nATOM 2191 N PRO A 975 12.706 10.199 32.427 1.00 47.74 A N\nATOM 2192 CA PRO A 975 13.787 11.200 32.291 1.00 38.86 A C\nATOM 2193 C PRO A 975 14.784 11.235 33.452 1.00 49.16 A C\nATOM 2194 O PRO A 975 15.972 11.511 33.256 1.00 35.53 A O\nATOM 2195 CB PRO A 975 13.033 12.530 32.189 1.00 42.70 A C\nATOM 2196 CG PRO A 975 11.678 12.271 32.763 1.00 40.71 A C\nATOM 2197 CD PRO A 975 11.371 10.826 32.491 1.00 37.78 A C\nATOM 2198 N GLN A 976 14.305 10.943 34.654 1.00 46.37 A N\nATOM 2199 CA GLN A 976 15.132 11.037 35.844 1.00 44.65 A C\nATOM 2200 C GLN A 976 16.125 9.898 35.976 1.00 44.99 A C\nATOM 2201 O GLN A 976 17.103 10.018 36.712 1.00 46.21 A O\nATOM 2202 CB GLN A 976 14.268 11.228 37.092 1.00 49.69 A C\nATOM 2203 CG GLN A 976 13.475 12.530 37.034 1.00 56.06 A C\nATOM 2204 CD GLN A 976 12.517 12.716 38.191 1.00 63.88 A C\nATOM 2205 OE1 GLN A 976 11.316 12.930 37.993 1.00 71.50 A O\nATOM 2206 NE2 GLN A 976 13.039 12.644 39.403 1.00 50.50 A N\nATOM 2207 N ARG A 977 15.884 8.808 35.243 1.00 42.74 A N\nATOM 2208 CA ARG A 977 16.888 7.757 35.069 1.00 45.63 A C\nATOM 2209 C ARG A 977 18.112 8.246 34.274 1.00 43.53 A C\nATOM 2210 O ARG A 977 19.234 7.782 34.496 1.00 42.89 A O\nATOM 2211 CB ARG A 977 16.281 6.535 34.364 1.00 45.27 A C\nATOM 2212 CG ARG A 977 17.132 5.283 34.472 1.00 46.22 A C\nATOM 2213 CD ARG A 977 16.596 4.107 33.671 1.00 54.73 A C\nATOM 2214 NE ARG A 977 17.709 3.226 33.297 1.00 57.38 A N\nATOM 2215 CZ ARG A 977 17.623 2.135 32.532 1.00 64.89 A C\nATOM 2216 NH1 ARG A 977 18.720 1.429 32.275 1.00 58.85 A N\nATOM 2217 NH2 ARG A 977 16.465 1.744 32.016 1.00 46.96 A N\nATOM 2218 N TYR A 978 17.904 9.187 33.354 1.00 45.93 A N\nATOM 2219 CA TYR A 978 18.962 9.530 32.383 1.00 38.90 A C\nATOM 2220 C TYR A 978 19.665 10.872 32.595 1.00 39.82 A C\nATOM 2221 O TYR A 978 20.848 11.039 32.216 1.00 32.24 A O\nATOM 2222 CB TYR A 978 18.411 9.401 30.966 1.00 35.50 A C\nATOM 2223 CG TYR A 978 17.969 7.990 30.665 1.00 38.93 A C\nATOM 2224 CD1 TYR A 978 16.619 7.628 30.743 1.00 41.70 A C\nATOM 2225 CD2 TYR A 978 18.900 7.009 30.321 1.00 39.01 A C\nATOM 2226 CE1 TYR A 978 16.211 6.324 30.474 1.00 40.99 A C\nATOM 2227 CE2 TYR A 978 18.500 5.699 30.064 1.00 43.77 A C\nATOM 2228 CZ TYR A 978 17.154 5.369 30.140 1.00 47.30 A C\nATOM 2229 OH TYR A 978 16.756 4.081 29.863 1.00 43.86 A O\nATOM 2230 N LEU A 979 18.938 11.822 33.181 1.00 32.08 A N\nATOM 2231 CA LEU A 979 19.534 13.110 33.578 1.00 32.15 A C\nATOM 2232 C LEU A 979 19.379 13.331 35.074 1.00 37.34 A C\nATOM 2233 O LEU A 979 18.300 13.095 35.640 1.00 40.97 A O\nATOM 2234 CB LEU A 979 18.920 14.286 32.787 1.00 32.90 A C\nATOM 2235 CG LEU A 979 19.028 14.222 31.257 1.00 37.92 A C\nATOM 2236 CD1 LEU A 979 18.289 15.375 30.604 1.00 34.76 A C\nATOM 2237 CD2 LEU A 979 20.481 14.218 30.787 1.00 30.23 A C\nATOM 2238 N VAL A 980 20.460 13.780 35.710 1.00 35.35 A N\nATOM 2239 CA VAL A 980 20.490 14.006 37.150 1.00 41.00 A C\nATOM 2240 C VAL A 980 20.533 15.506 37.424 1.00 40.10 A C\nATOM 2241 O VAL A 980 21.585 16.134 37.309 1.00 40.40 A O\nATOM 2242 CB VAL A 980 21.692 13.297 37.827 1.00 41.35 A C\nATOM 2243 CG1 VAL A 980 21.594 13.413 39.343 1.00 47.67 A C\nATOM 2244 CG2 VAL A 980 21.748 11.832 37.428 1.00 44.11 A C\nATOM 2245 N ILE A 981 19.380 16.067 37.785 1.00 38.21 A N\nATOM 2246 CA ILE A 981 19.229 17.500 38.005 1.00 41.44 A C\nATOM 2247 C ILE A 981 18.665 17.708 39.411 1.00 50.08 A C\nATOM 2248 O ILE A 981 17.603 17.179 39.731 1.00 46.16 A O\nATOM 2249 CB ILE A 981 18.273 18.126 36.956 1.00 43.63 A C\nATOM 2250 CG1 ILE A 981 18.811 17.912 35.526 1.00 40.45 A C\nATOM 2251 CG2 ILE A 981 18.020 19.603 37.244 1.00 44.86 A C\nATOM 2252 CD1 ILE A 981 17.808 18.200 34.428 1.00 44.41 A C\nATOM 2253 N GLN A 982 19.367 18.469 40.247 1.00 50.83 A N\nATOM 2254 CA GLN A 982 18.880 18.741 41.600 1.00 51.62 A C\nATOM 2255 C GLN A 982 17.574 19.526 41.551 1.00 55.46 A C\nATOM 2256 O GLN A 982 17.480 20.552 40.874 1.00 57.81 A O\nATOM 2257 CB GLN A 982 19.919 19.503 42.417 1.00 66.60 A C\nATOM 2258 CG GLN A 982 19.629 19.481 43.912 1.00 84.41 A C\nATOM 2259 CD GLN A 982 20.596 20.323 44.721 1.00 91.98 A C\nATOM 2260 OE1 GLN A 982 20.963 21.428 44.321 1.00 79.66 A O\nATOM 2261 NE2 GLN A 982 21.005 19.805 45.874 1.00 98.17 A N\nATOM 2262 N GLY A 983 16.564 19.031 42.260 1.00 57.34 A N\nATOM 2263 CA GLY A 983 15.272 19.707 42.324 1.00 58.56 A C\nATOM 2264 C GLY A 983 14.382 19.380 41.140 1.00 64.74 A C\nATOM 2265 O GLY A 983 13.302 19.957 40.991 1.00 57.96 A O\nATOM 2266 N ASP A 984 14.829 18.429 40.319 1.00 58.41 A N\nATOM 2267 CA ASP A 984 14.153 18.052 39.082 1.00 50.51 A C\nATOM 2268 C ASP A 984 12.631 17.979 39.234 1.00 54.41 A C\nATOM 2269 O ASP A 984 11.900 18.579 38.444 1.00 54.82 A O\nATOM 2270 CB ASP A 984 14.706 16.714 38.572 1.00 41.18 A C\nATOM 2271 CG ASP A 984 14.494 16.510 37.081 1.00 51.31 A C\nATOM 2272 OD1 ASP A 984 13.942 17.406 36.407 1.00 55.80 A O\nATOM 2273 OD2 ASP A 984 14.890 15.434 36.583 1.00 53.67 A O\nATOM 2274 N GLU A 985 12.168 17.250 40.250 1.00 61.44 A N\nATOM 2275 CA GLU A 985 10.734 17.068 40.514 1.00 75.39 A C\nATOM 2276 C GLU A 985 9.997 18.398 40.742 1.00 70.39 A C\nATOM 2277 O GLU A 985 8.878 18.582 40.260 1.00 71.81 A O\nATOM 2278 CB GLU A 985 10.529 16.127 41.710 1.00 87.47 A C\nATOM 2279 CG GLU A 985 9.132 15.530 41.829 1.00106.30 A C\nATOM 2280 CD GLU A 985 8.910 14.338 40.911 1.00119.07 A C\nATOM 2281 OE1 GLU A 985 9.723 13.387 40.948 1.00109.24 A O\nATOM 2282 OE2 GLU A 985 7.911 14.345 40.160 1.00120.64 A O\nATOM 2283 N ARG A 986 10.636 19.315 41.465 1.00 70.04 A N\nATOM 2284 CA ARG A 986 10.063 20.626 41.770 1.00 74.49 A C\nATOM 2285 C ARG A 986 10.618 21.720 40.852 1.00 82.24 A C\nATOM 2286 O ARG A 986 11.241 22.679 41.317 1.00 98.92 A O\nATOM 2287 CB ARG A 986 10.291 20.990 43.249 1.00 78.16 A C\nATOM 2288 CG ARG A 986 9.347 20.310 44.236 1.00 89.52 A C\nATOM 2289 CD ARG A 986 9.857 18.947 44.685 1.00 91.30 A C\nATOM 2290 NE ARG A 986 10.823 19.046 45.780 1.00105.11 A N\nATOM 2291 CZ ARG A 986 10.561 18.740 47.050 1.00116.04 A C\nATOM 2292 NH1 ARG A 986 9.358 18.302 47.404 1.00113.63 A N\nATOM 2293 NH2 ARG A 986 11.509 18.865 47.973 1.00102.80 A N\nATOM 2294 N MET A 987 10.395 21.570 39.548 1.00 81.34 A N\nATOM 2295 CA MET A 987 10.823 22.582 38.579 1.00 74.92 A C\nATOM 2296 C MET A 987 9.706 23.056 37.667 1.00 78.05 A C\nATOM 2297 O MET A 987 9.112 22.272 36.924 1.00 65.68 A O\nATOM 2298 CB MET A 987 12.022 22.112 37.756 1.00 80.36 A C\nATOM 2299 CG MET A 987 13.333 22.695 38.244 1.00 67.52 A C\nATOM 2300 SD MET A 987 14.745 21.861 37.521 1.00 74.21 A S\nATOM 2301 CE MET A 987 16.070 22.517 38.532 1.00 74.56 A C\nATOM 2302 N HIS A 988 9.450 24.356 37.730 1.00 94.20 A N\nATOM 2303 CA HIS A 988 8.340 24.980 37.028 1.00 94.97 A C\nATOM 2304 C HIS A 988 8.871 25.986 36.014 1.00 76.90 A C\nATOM 2305 O HIS A 988 9.596 26.914 36.376 1.00 78.04 A O\nATOM 2306 CB HIS A 988 7.414 25.673 38.040 1.00115.88 A C\nATOM 2307 CG HIS A 988 8.135 26.558 39.016 1.00132.41 A C\nATOM 2308 ND1 HIS A 988 8.836 26.062 40.095 1.00126.55 A N\nATOM 2309 CD2 HIS A 988 8.264 27.905 39.071 1.00128.35 A C\nATOM 2310 CE1 HIS A 988 9.366 27.065 40.772 1.00120.82 A C\nATOM 2311 NE2 HIS A 988 9.034 28.194 40.172 1.00121.40 A N\nATOM 2312 N LEU A 989 8.529 25.798 34.744 1.00 61.44 A N\nATOM 2313 CA LEU A 989 8.944 26.763 33.728 1.00 72.63 A C\nATOM 2314 C LEU A 989 8.065 28.009 33.747 1.00 85.75 A C\nATOM 2315 O LEU A 989 6.834 27.894 33.749 1.00 68.16 A O\nATOM 2316 CB LEU A 989 8.997 26.145 32.325 1.00 67.66 A C\nATOM 2317 CG LEU A 989 10.311 25.454 31.936 1.00 67.91 A C\nATOM 2318 CD1 LEU A 989 10.234 25.008 30.488 1.00 65.81 A C\nATOM 2319 CD2 LEU A 989 11.531 26.344 32.152 1.00 50.84 A C\nATOM 2320 N PRO A 990 8.700 29.202 33.773 1.00 86.52 A N\nATOM 2321 CA PRO A 990 7.985 30.476 33.786 1.00 89.95 A C\nATOM 2322 C PRO A 990 7.082 30.614 32.576 1.00 85.79 A C\nATOM 2323 O PRO A 990 7.395 30.085 31.505 1.00 80.02 A O\nATOM 2324 CB PRO A 990 9.110 31.515 33.708 1.00 92.65 A C\nATOM 2325 CG PRO A 990 10.305 30.821 34.259 1.00 91.35 A C\nATOM 2326 CD PRO A 990 10.161 29.400 33.802 1.00 83.38 A C\nATOM 2327 N SER A 991 5.965 31.312 32.762 1.00 84.48 A N\nATOM 2328 CA SER A 991 5.051 31.639 31.676 1.00 93.44 A C\nATOM 2329 C SER A 991 5.854 32.156 30.482 1.00 92.51 A C\nATOM 2330 O SER A 991 6.660 33.080 30.632 1.00 91.73 A O\nATOM 2331 CB SER A 991 4.032 32.684 32.138 1.00 98.17 A C\nATOM 2332 OG SER A 991 3.057 32.924 31.141 1.00 92.32 A O\nATOM 2333 N PRO A 992 5.655 31.541 29.299 1.00 96.28 A N\nATOM 2334 CA PRO A 992 6.471 31.836 28.118 1.00 93.22 A C\nATOM 2335 C PRO A 992 6.521 33.327 27.773 1.00101.42 A C\nATOM 2336 O PRO A 992 7.588 33.832 27.417 1.00105.40 A O\nATOM 2337 CB PRO A 992 5.781 31.044 26.999 1.00 89.86 A C\nATOM 2338 CG PRO A 992 5.037 29.959 27.697 1.00 95.22 A C\nATOM 2339 CD PRO A 992 4.610 30.540 29.012 1.00100.69 A C\nATOM 2340 N THR A 993 5.386 34.019 27.896 1.00 81.78 A N\nATOM 2341 CA THR A 993 5.290 35.439 27.527 1.00 91.40 A C\nATOM 2342 C THR A 993 5.809 36.395 28.607 1.00106.34 A C\nATOM 2343 O THR A 993 5.974 37.594 28.355 1.00103.45 A O\nATOM 2344 CB THR A 993 3.857 35.833 27.114 1.00 90.34 A C\nATOM 2345 OG1 THR A 993 2.911 35.171 27.963 1.00 97.10 A O\nATOM 2346 CG2 THR A 993 3.590 35.439 25.666 1.00 85.30 A C\nATOM 2347 N ASP A 994 6.066 35.861 29.800 1.00111.43 A N\nATOM 2348 CA ASP A 994 6.711 36.622 30.869 1.00102.16 A C\nATOM 2349 C ASP A 994 8.228 36.642 30.686 1.00 91.62 A C\nATOM 2350 O ASP A 994 8.942 37.286 31.459 1.00 91.58 A O\nATOM 2351 CB ASP A 994 6.352 36.050 32.248 1.00102.74 A C\nATOM 2352 CG ASP A 994 4.889 36.266 32.618 1.00109.76 A C\nATOM 2353 OD1 ASP A 994 4.078 36.622 31.733 1.00 97.63 A O\nATOM 2354 OD2 ASP A 994 4.551 36.072 33.807 1.00 97.59 A O\nATOM 2355 N SER A 995 8.716 35.937 29.664 1.00 82.22 A N\nATOM 2356 CA SER A 995 10.146 35.925 29.364 1.00 72.60 A C\nATOM 2357 C SER A 995 10.578 37.299 28.878 1.00 75.53 A C\nATOM 2358 O SER A 995 9.802 38.037 28.253 1.00 70.58 A O\nATOM 2359 CB SER A 995 10.526 34.838 28.336 1.00 76.40 A C\nATOM 2360 OG SER A 995 10.649 35.348 27.010 1.00 56.44 A O\nATOM 2361 N ASN A 996 11.823 37.631 29.181 1.00 70.57 A N\nATOM 2362 CA ASN A 996 12.399 38.885 28.758 1.00 73.99 A C\nATOM 2363 C ASN A 996 12.426 38.999 27.234 1.00 75.58 A C\nATOM 2364 O ASN A 996 12.012 40.027 26.679 1.00 73.07 A O\nATOM 2365 CB ASN A 996 13.791 39.042 29.372 1.00 63.63 A C\nATOM 2366 CG ASN A 996 13.744 39.179 30.887 1.00 74.59 A C\nATOM 2367 OD1 ASN A 996 12.766 39.689 31.448 1.00 68.42 A O\nATOM 2368 ND2 ASN A 996 14.799 38.723 31.558 1.00 60.65 A N\nATOM 2369 N PHE A 997 12.862 37.923 26.570 1.00 67.63 A N\nATOM 2370 CA PHE A 997 13.005 37.907 25.112 1.00 45.42 A C\nATOM 2371 C PHE A 997 11.723 38.287 24.381 1.00 51.92 A C\nATOM 2372 O PHE A 997 11.767 39.103 23.461 1.00 62.38 A O\nATOM 2373 CB PHE A 997 13.574 36.568 24.597 1.00 55.03 A C\nATOM 2374 CG PHE A 997 14.234 36.683 23.247 1.00 45.20 A C\nATOM 2375 CD1 PHE A 997 13.478 36.619 22.079 1.00 41.23 A C\nATOM 2376 CD2 PHE A 997 15.601 36.904 23.143 1.00 48.66 A C\nATOM 2377 CE1 PHE A 997 14.070 36.757 20.831 1.00 36.44 A C\nATOM 2378 CE2 PHE A 997 16.208 37.047 21.903 1.00 48.46 A C\nATOM 2379 CZ PHE A 997 15.445 36.979 20.742 1.00 37.79 A C\nATOM 2380 N TYR A 998 10.589 37.715 24.789 1.00 43.98 A N\nATOM 2381 CA TYR A 998 9.319 37.981 24.111 1.00 50.06 A C\nATOM 2382 C TYR A 998 8.932 39.466 24.207 1.00 52.66 A C\nATOM 2383 O TYR A 998 8.694 40.110 23.181 1.00 50.37 A O\nATOM 2384 CB TYR A 998 8.182 37.087 24.631 1.00 50.26 A C\nATOM 2385 CG TYR A 998 6.861 37.329 23.917 1.00 53.59 A C\nATOM 2386 CD1 TYR A 998 6.503 36.573 22.808 1.00 65.72 A C\nATOM 2387 CD2 TYR A 998 5.975 38.320 24.349 1.00 66.46 A C\nATOM 2388 CE1 TYR A 998 5.305 36.785 22.146 1.00 71.54 A C\nATOM 2389 CE2 TYR A 998 4.776 38.545 23.691 1.00 67.06 A C\nATOM 2390 CZ TYR A 998 4.445 37.775 22.590 1.00 81.38 A C\nATOM 2391 OH TYR A 998 3.255 37.987 21.927 1.00 83.86 A O\nATOM 2392 N ARG A 999 8.874 39.991 25.432 1.00 56.42 A N\nATOM 2393 CA ARG A 999 8.503 41.399 25.661 1.00 66.76 A C\nATOM 2394 C ARG A 999 9.413 42.378 24.905 1.00 72.09 A C\nATOM 2395 O ARG A 999 8.908 43.316 24.264 1.00 54.14 A O\nATOM 2396 CB ARG A 999 8.470 41.731 27.157 1.00 75.45 A C\nATOM 2397 CG ARG A 999 7.216 41.268 27.883 1.00 74.94 A C\nATOM 2398 CD ARG A 999 7.080 41.993 29.214 1.00 92.57 A C\nATOM 2399 NE ARG A 999 5.868 41.637 29.954 1.00100.40 A N\nATOM 2400 CZ ARG A 999 4.684 42.235 29.815 1.00 91.52 A C\nATOM 2401 NH1 ARG A 999 3.653 41.834 30.548 1.00 82.09 A N\nATOM 2402 NH2 ARG A 999 4.521 43.229 28.948 1.00 73.74 A N\nATOM 2403 N ALA A1000 10.733 42.126 24.981 1.00 57.15 A N\nATOM 2404 CA ALA A1000 11.789 42.855 24.248 1.00 68.38 A C\nATOM 2405 C ALA A1000 11.556 42.981 22.738 1.00 71.95 A C\nATOM 2406 O ALA A1000 12.022 43.944 22.112 1.00 65.03 A O\nATOM 2407 CB ALA A1000 13.165 42.217 24.502 1.00 40.39 A C\nATOM 2408 N LEU A1001 10.858 42.001 22.161 1.00 46.21 A N\nATOM 2409 CA LEU A1001 10.599 41.970 20.736 1.00 40.49 A C\nATOM 2410 C LEU A1001 9.259 42.576 20.348 1.00 53.57 A C\nATOM 2411 O LEU A1001 9.165 43.282 19.337 1.00 53.84 A O\nATOM 2412 CB LEU A1001 10.631 40.517 20.238 1.00 45.77 A C\nATOM 2413 CG LEU A1001 11.848 40.057 19.447 1.00 44.23 A C\nATOM 2414 CD1 LEU A1001 13.080 40.042 20.339 1.00 48.87 A C\nATOM 2415 CD2 LEU A1001 11.594 38.682 18.855 1.00 41.26 A C\nATOM 2416 N MET A1002 8.227 42.280 21.138 1.00 53.10 A N\nATOM 2417 CA MET A1002 6.840 42.522 20.706 1.00 62.26 A C\nATOM 2418 C MET A1002 6.179 43.786 21.256 1.00 69.68 A C\nATOM 2419 O MET A1002 5.263 44.326 20.625 1.00 61.34 A O\nATOM 2420 CB MET A1002 5.961 41.304 21.002 1.00 58.73 A C\nATOM 2421 CG MET A1002 6.454 39.993 20.406 1.00 69.22 A C\nATOM 2422 SD MET A1002 6.912 40.077 18.661 1.00 66.89 A S\nATOM 2423 CE MET A1002 5.350 40.495 17.883 1.00 72.08 A C\nATOM 2424 N ASP A1003 6.640 44.251 22.416 1.00 73.79 A N\nATOM 2425 CA ASP A1003 6.024 45.404 23.095 1.00 93.71 A C\nATOM 2426 C ASP A1003 6.280 46.765 22.430 1.00 87.67 A C\nATOM 2427 O ASP A1003 5.575 47.736 22.721 1.00 88.50 A O\nATOM 2428 CB ASP A1003 6.420 45.449 24.578 1.00 89.49 A C\nATOM 2429 CG ASP A1003 5.643 44.452 25.426 1.00 94.17 A C\nATOM 2430 OD1 ASP A1003 5.332 43.344 24.936 1.00 89.80 A O\nATOM 2431 OD2 ASP A1003 5.350 44.779 26.596 1.00109.80 A O\nATOM 2432 N GLU A1004 7.276 46.830 21.546 1.00 85.41 A N\nATOM 2433 CA GLU A1004 7.565 48.046 20.781 1.00 93.45 A C\nATOM 2434 C GLU A1004 6.314 48.554 20.060 1.00 91.45 A C\nATOM 2435 O GLU A1004 5.539 47.762 19.520 1.00 82.23 A O\nATOM 2436 CB GLU A1004 8.690 47.788 19.775 1.00 93.39 A C\nATOM 2437 CG GLU A1004 9.148 49.021 19.005 1.00 94.09 A C\nATOM 2438 CD GLU A1004 10.248 48.715 18.005 1.00101.52 A C\nATOM 2439 OE1 GLU A1004 10.530 49.583 17.147 1.00 80.73 A O\nATOM 2440 OE2 GLU A1004 10.832 47.611 18.072 1.00 81.92 A O\nATOM 2441 N GLU A1005 6.126 49.874 20.064 1.00 95.81 A N\nATOM 2442 CA GLU A1005 4.944 50.509 19.468 1.00104.88 A C\nATOM 2443 C GLU A1005 4.859 50.336 17.949 1.00106.59 A C\nATOM 2444 O GLU A1005 3.762 50.332 17.384 1.00111.84 A O\nATOM 2445 CB GLU A1005 4.872 51.991 19.851 1.00104.00 A C\nATOM 2446 CG GLU A1005 4.303 52.231 21.243 1.00107.89 A C\nATOM 2447 CD GLU A1005 4.496 53.654 21.742 1.00110.98 A C\nATOM 2448 OE1 GLU A1005 4.178 53.906 22.925 1.00 95.43 A O\nATOM 2449 OE2 GLU A1005 4.963 54.518 20.966 1.00103.24 A O\nATOM 2450 N ASP A1006 6.016 50.190 17.301 1.00117.69 A N\nATOM 2451 CA ASP A1006 6.085 49.910 15.862 1.00122.83 A C\nATOM 2452 C ASP A1006 5.346 48.617 15.502 1.00114.70 A C\nATOM 2453 O ASP A1006 4.738 48.520 14.432 1.00108.57 A O\nATOM 2454 CB ASP A1006 7.541 49.857 15.382 1.00123.65 A C\nATOM 2455 CG ASP A1006 8.165 51.241 15.222 1.00120.44 A C\nATOM 2456 OD1 ASP A1006 7.426 52.226 15.000 1.00108.22 A O\nATOM 2457 OD2 ASP A1006 9.407 51.342 15.307 1.00108.51 A O\nATOM 2458 N MET A1007 5.403 47.637 16.405 1.00 95.23 A N\nATOM 2459 CA MET A1007 4.582 46.431 16.311 1.00 90.94 A C\nATOM 2460 C MET A1007 3.162 46.781 16.768 1.00 99.19 A C\nATOM 2461 O MET A1007 2.757 46.435 17.880 1.00109.79 A O\nATOM 2462 CB MET A1007 5.163 45.292 17.172 1.00 83.16 A C\nATOM 2463 CG MET A1007 6.685 45.153 17.169 1.00 67.00 A C\nATOM 2464 SD MET A1007 7.428 44.700 15.581 1.00 68.15 A S\nATOM 2465 CE MET A1007 6.871 43.001 15.382 1.00 58.33 A C\nATOM 2466 N ASP A1008 2.420 47.477 15.905 1.00111.50 A N\nATOM 2467 CA ASP A1008 1.107 48.039 16.253 1.00111.00 A C\nATOM 2468 C ASP A1008 0.024 46.965 16.422 1.00105.42 A C\nATOM 2469 O ASP A1008 -0.178 46.451 17.524 1.00105.28 A O\nATOM 2470 CB ASP A1008 0.682 49.099 15.220 1.00123.41 A C\nATOM 2471 CG ASP A1008 -0.499 49.949 15.690 1.00120.55 A C\nATOM 2472 OD1 ASP A1008 -1.629 49.728 15.200 1.00 80.53 A O\nATOM 2473 OD2 ASP A1008 -0.301 50.839 16.547 1.00117.47 A O\nATOM 2474 N ASP A1009 -0.672 46.641 15.333 1.00102.23 A N\nATOM 2475 CA ASP A1009 -1.728 45.629 15.348 1.00100.67 A C\nATOM 2476 C ASP A1009 -1.355 44.501 14.390 1.00 93.72 A C\nATOM 2477 O ASP A1009 -1.402 44.671 13.165 1.00 74.22 A O\nATOM 2478 CB ASP A1009 -3.084 46.245 14.971 1.00101.82 A C\nATOM 2479 CG ASP A1009 -3.662 47.128 16.072 1.00113.32 A C\nATOM 2480 OD1 ASP A1009 -4.035 48.284 15.777 1.00104.40 A O\nATOM 2481 OD2 ASP A1009 -3.754 46.668 17.231 1.00113.63 A O\nATOM 2482 N VAL A1010 -0.985 43.353 14.957 1.00 93.07 A N\nATOM 2483 CA VAL A1010 -0.383 42.257 14.187 1.00 80.23 A C\nATOM 2484 C VAL A1010 -1.136 40.925 14.278 1.00 79.25 A C\nATOM 2485 O VAL A1010 -1.857 40.676 15.248 1.00 78.35 A O\nATOM 2486 CB VAL A1010 1.103 42.050 14.572 1.00 82.37 A C\nATOM 2487 CG1 VAL A1010 1.915 43.299 14.251 1.00 87.87 A C\nATOM 2488 CG2 VAL A1010 1.248 41.678 16.045 1.00 79.77 A C\nATOM 2489 N VAL A1011 -0.963 40.087 13.251 1.00 68.99 A N\nATOM 2490 CA VAL A1011 -1.523 38.727 13.204 1.00 64.51 A C\nATOM 2491 C VAL A1011 -0.404 37.704 12.973 1.00 77.21 A C\nATOM 2492 O VAL A1011 0.322 37.780 11.976 1.00 67.63 A O\nATOM 2493 CB VAL A1011 -2.604 38.567 12.100 1.00 69.31 A C\nATOM 2494 CG1 VAL A1011 -3.068 37.117 11.995 1.00 73.03 A C\nATOM 2495 CG2 VAL A1011 -3.800 39.476 12.359 1.00 60.85 A C\nATOM 2496 N ASP A1012 -0.283 36.751 13.898 1.00 78.10 A N\nATOM 2497 CA ASP A1012 0.709 35.675 13.829 1.00 78.78 A C\nATOM 2498 C ASP A1012 0.619 34.932 12.495 1.00 74.28 A C\nATOM 2499 O ASP A1012 -0.485 34.665 12.006 1.00 66.35 A O\nATOM 2500 CB ASP A1012 0.493 34.703 14.996 1.00 81.42 A C\nATOM 2501 CG ASP A1012 1.685 33.798 15.237 1.00 99.02 A C\nATOM 2502 OD1 ASP A1012 2.690 34.271 15.810 1.00104.15 A O\nATOM 2503 OD2 ASP A1012 1.608 32.606 14.874 1.00101.05 A O\nATOM 2504 N ALA A1013 1.772 34.604 11.907 1.00 52.96 A N\nATOM 2505 CA ALA A1013 1.813 33.912 10.605 1.00 59.48 A C\nATOM 2506 C ALA A1013 1.024 32.597 10.556 1.00 67.96 A C\nATOM 2507 O ALA A1013 0.465 32.243 9.508 1.00 66.31 A O\nATOM 2508 CB ALA A1013 3.243 33.702 10.139 1.00 62.75 A C\nATOM 2509 N ASP A1014 0.985 31.884 11.684 1.00 59.70 A N\nATOM 2510 CA ASP A1014 0.200 30.654 11.812 1.00 74.24 A C\nATOM 2511 C ASP A1014 -1.300 30.913 11.667 1.00 74.57 A C\nATOM 2512 O ASP A1014 -2.018 30.130 11.040 1.00 82.55 A O\nATOM 2513 CB ASP A1014 0.476 29.981 13.160 1.00 83.80 A C\nATOM 2514 CG ASP A1014 1.930 29.578 13.328 1.00 86.76 A C\nATOM 2515 OD1 ASP A1014 2.458 29.709 14.454 1.00 96.46 A O\nATOM 2516 OD2 ASP A1014 2.546 29.131 12.339 1.00 92.15 A O\nATOM 2517 N GLU A1015 -1.762 32.013 12.255 1.00 69.63 A N\nATOM 2518 CA GLU A1015 -3.169 32.406 12.205 1.00 84.01 A C\nATOM 2519 C GLU A1015 -3.563 32.965 10.830 1.00 81.26 A C\nATOM 2520 O GLU A1015 -4.711 32.817 10.401 1.00 75.65 A O\nATOM 2521 CB GLU A1015 -3.466 33.432 13.304 1.00 89.15 A C\nATOM 2522 CG GLU A1015 -4.941 33.592 13.645 1.00106.04 A C\nATOM 2523 CD GLU A1015 -5.193 34.639 14.717 1.00119.25 A C\nATOM 2524 OE1 GLU A1015 -4.251 34.982 15.465 1.00124.44 A O\nATOM 2525 OE2 GLU A1015 -6.342 35.119 14.814 1.00124.84 A O\nATOM 2526 N TYR A1016 -2.609 33.605 10.154 1.00 71.06 A N\nATOM 2527 CA TYR A1016 -2.825 34.180 8.825 1.00 72.33 A C\nATOM 2528 C TYR A1016 -2.791 33.132 7.709 1.00 74.97 A C\nATOM 2529 O TYR A1016 -3.570 33.223 6.756 1.00 81.17 A O\nATOM 2530 CB TYR A1016 -1.810 35.297 8.549 1.00 84.93 A C\nATOM 2531 CG TYR A1016 -1.665 35.681 7.088 1.00 86.99 A C\nATOM 2532 CD1 TYR A1016 -0.805 34.974 6.243 1.00 91.38 A C\nATOM 2533 CD2 TYR A1016 -2.379 36.754 6.552 1.00 79.32 A C\nATOM 2534 CE1 TYR A1016 -0.668 35.316 4.908 1.00 95.57 A C\nATOM 2535 CE2 TYR A1016 -2.244 37.108 5.217 1.00 82.46 A C\nATOM 2536 CZ TYR A1016 -1.387 36.385 4.400 1.00 97.13 A C\nATOM 2537 OH TYR A1016 -1.236 36.717 3.072 1.00 93.34 A O\nATOM 2538 N LEU A1017 -1.889 32.157 7.823 1.00 79.31 A N\nATOM 2539 CA LEU A1017 -1.752 31.089 6.826 1.00 78.37 A C\nATOM 2540 C LEU A1017 -2.418 29.794 7.290 1.00 79.78 A C\nATOM 2541 O LEU A1017 -3.584 29.532 6.982 1.00 86.61 A O\nATOM 2542 CB LEU A1017 -0.272 30.850 6.492 1.00 96.14 A C\nATOM 2543 CG LEU A1017 0.143 29.601 5.697 1.00116.26 A C\nATOM 2544 CD1 LEU A1017 -0.313 29.652 4.243 1.00121.68 A C\nATOM 2545 CD2 LEU A1017 1.648 29.383 5.783 1.00110.27 A C\nEND\n",
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- "binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.381 31.338 7.525 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 15.576 31.802 6.514 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.116 33.000 6.762 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 15.651 33.338 7.990 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 16.454 32.309 8.504 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.093 32.464 9.770 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 17.911 31.499 10.405 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 18.486 31.763 11.648 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 18.252 32.982 12.270 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 17.440 33.933 11.647 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.852 33.706 10.412 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 16.087 34.684 9.911 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 15.476 34.535 8.718 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 14.698 35.571 8.257 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 14.617 36.394 8.832 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 14.235 35.470 7.366 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 17.034 30.046 7.438 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 18.379 29.287 5.458 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.969 29.403 6.041 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.300 28.028 6.047 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
+ "data": "data_3W32\n# \n_entry.id 3W32 \n# \n_audit_conform.dict_name mmcif_pdbx.dic \n_audit_conform.dict_version 5.281 \n_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic \n# \nloop_\n_database_2.database_id \n_database_2.database_code \nPDB 3W32 \nRCSB RCSB095823 \nWWPDB D_1000095823 \n# \nloop_\n_pdbx_database_related.db_name \n_pdbx_database_related.db_id \n_pdbx_database_related.details \n_pdbx_database_related.content_type \nPDB 3POZ . unspecified \nPDB 3W33 . unspecified \n# \n_pdbx_database_status.status_code REL \n_pdbx_database_status.entry_id 3W32 \n_pdbx_database_status.recvd_initial_deposition_date 2012-12-07 \n_pdbx_database_status.deposit_site PDBJ \n_pdbx_database_status.process_site PDBJ \n_pdbx_database_status.methods_development_category ? \n_pdbx_database_status.status_code_sf REL \n_pdbx_database_status.status_code_mr ? \n_pdbx_database_status.SG_entry ? \n_pdbx_database_status.status_code_cs ? \n_pdbx_database_status.pdb_format_compatible Y \n# \nloop_\n_audit_author.name \n_audit_author.pdbx_ordinal \n'Sogabe, S.' 1 \n'Kawakita, Y.' 2 \n# \n_citation.id primary \n_citation.title 'Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors' \n_citation.journal_abbrev Bioorg.Med.Chem. \n_citation.journal_volume 21 \n_citation.page_first 2250 \n_citation.page_last 2261 \n_citation.year 2013 \n_citation.journal_id_ASTM BMECEP \n_citation.country UK \n_citation.journal_id_ISSN 0968-0896 \n_citation.journal_id_CSD 1200 \n_citation.book_publisher ? \n_citation.pdbx_database_id_PubMed 23490150 \n_citation.pdbx_database_id_DOI 10.1016/j.bmc.2013.02.014 \n# \nloop_\n_citation_author.citation_id \n_citation_author.name \n_citation_author.ordinal \nprimary 'Kawakita, Y.' 1 \nprimary 'Seto, M.' 2 \nprimary 'Ohashi, T.' 3 \nprimary 'Tamura, T.' 4 \nprimary 'Yusa, T.' 5 \nprimary 'Miki, H.' 6 \nprimary 'Iwata, H.' 7 \nprimary 'Kamiguchi, H.' 8 \nprimary 'Tanaka, T.' 9 \nprimary 'Sogabe, S.' 10 \nprimary 'Ohta, Y.' 11 \nprimary 'Ishikawa, T.' 12 \n# \n_cell.entry_id 3W32 \n_cell.length_a 46.443 \n_cell.length_b 68.306 \n_cell.length_c 103.273 \n_cell.angle_alpha 90.00 \n_cell.angle_beta 90.00 \n_cell.angle_gamma 90.00 \n_cell.Z_PDB 4 \n_cell.pdbx_unique_axis ? \n_cell.length_a_esd ? \n_cell.length_b_esd ? \n_cell.length_c_esd ? \n_cell.angle_alpha_esd ? \n_cell.angle_beta_esd ? \n_cell.angle_gamma_esd ? \n# \n_symmetry.entry_id 3W32 \n_symmetry.space_group_name_H-M 'P 21 21 21' \n_symmetry.pdbx_full_space_group_name_H-M ? \n_symmetry.cell_setting ? \n_symmetry.Int_Tables_number 19 \n_symmetry.space_group_name_Hall ? \n# \nloop_\n_entity.id \n_entity.type \n_entity.src_method \n_entity.pdbx_description \n_entity.formula_weight \n_entity.pdbx_number_of_molecules \n_entity.pdbx_ec \n_entity.pdbx_mutation \n_entity.pdbx_fragment \n_entity.details \n1 polymer man 'Epidermal growth factor receptor' 37563.457 1 2.7.10.1 ? 'Kinase domain, UNP residues 696-1022' ? \n2 non-polymer syn \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n581.994 1 ? ? ? ? \n3 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? \n4 water nat water 18.015 82 ? ? ? ? \n# \n_entity_name_com.entity_id 1 \n_entity_name_com.name 'Proto-oncogene c-ErbB-1, Receptor tyrosine-protein kinase erbB-1' \n# \n_entity_poly.entity_id 1 \n_entity_poly.type 'polypeptide(L)' \n_entity_poly.nstd_linkage no \n_entity_poly.nstd_monomer no \n_entity_poly.pdbx_seq_one_letter_code \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_seq_one_letter_code_can \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_strand_id A \n_entity_poly.pdbx_target_identifier ? \n# \nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.num \n_entity_poly_seq.mon_id \n_entity_poly_seq.hetero \n1 1 GLY n \n1 2 ALA n \n1 3 MET n \n1 4 GLY n \n1 5 GLU n \n1 6 ALA n \n1 7 PRO n \n1 8 ASN n \n1 9 GLN n \n1 10 ALA n \n1 11 LEU n \n1 12 LEU n \n1 13 ARG n \n1 14 ILE n \n1 15 LEU n \n1 16 LYS n \n1 17 GLU n \n1 18 THR n \n1 19 GLU n \n1 20 PHE n \n1 21 LYS n \n1 22 LYS n \n1 23 ILE n \n1 24 LYS n \n1 25 VAL n \n1 26 LEU n \n1 27 GLY n \n1 28 SER n \n1 29 GLY n \n1 30 ALA n \n1 31 PHE n \n1 32 GLY n \n1 33 THR n \n1 34 VAL n \n1 35 TYR n \n1 36 LYS n \n1 37 GLY n \n1 38 LEU n \n1 39 TRP n \n1 40 ILE n \n1 41 PRO n \n1 42 GLU n \n1 43 GLY n \n1 44 GLU n \n1 45 LYS n \n1 46 VAL n \n1 47 LYS n \n1 48 ILE n \n1 49 PRO n \n1 50 VAL n \n1 51 ALA n \n1 52 ILE n \n1 53 LYS n \n1 54 GLU n \n1 55 LEU n \n1 56 ARG n \n1 57 GLU n \n1 58 ALA n \n1 59 THR n \n1 60 SER n \n1 61 PRO n \n1 62 LYS n \n1 63 ALA n \n1 64 ASN n \n1 65 LYS n \n1 66 GLU n \n1 67 ILE n \n1 68 LEU n \n1 69 ASP n \n1 70 GLU n \n1 71 ALA n \n1 72 TYR n \n1 73 VAL n \n1 74 MET n \n1 75 ALA n \n1 76 SER n \n1 77 VAL n \n1 78 ASP n \n1 79 ASN n \n1 80 PRO n \n1 81 HIS n \n1 82 VAL n \n1 83 CYS n \n1 84 ARG n \n1 85 LEU n \n1 86 LEU n \n1 87 GLY n \n1 88 ILE n \n1 89 CYS n \n1 90 LEU n \n1 91 THR n \n1 92 SER n \n1 93 THR n \n1 94 VAL n \n1 95 GLN n \n1 96 LEU n \n1 97 ILE n \n1 98 THR n \n1 99 GLN n \n1 100 LEU n \n1 101 MET n \n1 102 PRO n \n1 103 PHE n \n1 104 GLY n \n1 105 CYS n \n1 106 LEU n \n1 107 LEU n \n1 108 ASP n \n1 109 TYR n \n1 110 VAL n \n1 111 ARG n \n1 112 GLU n \n1 113 HIS n \n1 114 LYS n \n1 115 ASP n \n1 116 ASN n \n1 117 ILE n \n1 118 GLY n \n1 119 SER n \n1 120 GLN n \n1 121 TYR n \n1 122 LEU n \n1 123 LEU n \n1 124 ASN n \n1 125 TRP n \n1 126 CYS n \n1 127 VAL n \n1 128 GLN n \n1 129 ILE n \n1 130 ALA n \n1 131 LYS n \n1 132 GLY n \n1 133 MET n \n1 134 ASN n \n1 135 TYR n \n1 136 LEU n \n1 137 GLU n \n1 138 ASP n \n1 139 ARG n \n1 140 ARG n \n1 141 LEU n \n1 142 VAL n \n1 143 HIS n \n1 144 ARG n \n1 145 ASP n \n1 146 LEU n \n1 147 ALA n \n1 148 ALA n \n1 149 ARG n \n1 150 ASN n \n1 151 VAL n \n1 152 LEU n \n1 153 VAL n \n1 154 LYS n \n1 155 THR n \n1 156 PRO n \n1 157 GLN n \n1 158 HIS n \n1 159 VAL n \n1 160 LYS n \n1 161 ILE n \n1 162 THR n \n1 163 ASP n \n1 164 PHE n \n1 165 GLY n \n1 166 LEU n \n1 167 ALA n \n1 168 LYS n \n1 169 LEU n \n1 170 LEU n \n1 171 GLY n \n1 172 ALA n \n1 173 GLU n \n1 174 GLU n \n1 175 LYS n \n1 176 GLU n \n1 177 TYR n \n1 178 HIS n \n1 179 ALA n \n1 180 GLU n \n1 181 GLY n \n1 182 GLY n \n1 183 LYS n \n1 184 VAL n \n1 185 PRO n \n1 186 ILE n \n1 187 LYS n \n1 188 TRP n \n1 189 MET n \n1 190 ALA n \n1 191 LEU n \n1 192 GLU n \n1 193 SER n \n1 194 ILE n \n1 195 LEU n \n1 196 HIS n \n1 197 ARG n \n1 198 ILE n \n1 199 TYR n \n1 200 THR n \n1 201 HIS n \n1 202 GLN n \n1 203 SER n \n1 204 ASP n \n1 205 VAL n \n1 206 TRP n \n1 207 SER n \n1 208 TYR n \n1 209 GLY n \n1 210 VAL n \n1 211 THR n \n1 212 VAL n \n1 213 TRP n \n1 214 GLU n \n1 215 LEU n \n1 216 MET n \n1 217 THR n \n1 218 PHE n \n1 219 GLY n \n1 220 SER n \n1 221 LYS n \n1 222 PRO n \n1 223 TYR n \n1 224 ASP n \n1 225 GLY n \n1 226 ILE n \n1 227 PRO n \n1 228 ALA n \n1 229 SER n \n1 230 GLU n \n1 231 ILE n \n1 232 SER n \n1 233 SER n \n1 234 ILE n \n1 235 LEU n \n1 236 GLU n \n1 237 LYS n \n1 238 GLY n \n1 239 GLU n \n1 240 ARG n \n1 241 LEU n \n1 242 PRO n \n1 243 GLN n \n1 244 PRO n \n1 245 PRO n \n1 246 ILE n \n1 247 CYS n \n1 248 THR n \n1 249 ILE n \n1 250 ASP n \n1 251 VAL n \n1 252 TYR n \n1 253 MET n \n1 254 ILE n \n1 255 MET n \n1 256 VAL n \n1 257 LYS n \n1 258 CYS n \n1 259 TRP n \n1 260 MET n \n1 261 ILE n \n1 262 ASP n \n1 263 ALA n \n1 264 ASP n \n1 265 SER n \n1 266 ARG n \n1 267 PRO n \n1 268 LYS n \n1 269 PHE n \n1 270 ARG n \n1 271 GLU n \n1 272 LEU n \n1 273 ILE n \n1 274 ILE n \n1 275 GLU n \n1 276 PHE n \n1 277 SER n \n1 278 LYS n \n1 279 MET n \n1 280 ALA n \n1 281 ARG n \n1 282 ASP n \n1 283 PRO n \n1 284 GLN n \n1 285 ARG n \n1 286 TYR n \n1 287 LEU n \n1 288 VAL n \n1 289 ILE n \n1 290 GLN n \n1 291 GLY n \n1 292 ASP n \n1 293 GLU n \n1 294 ARG n \n1 295 MET n \n1 296 HIS n \n1 297 LEU n \n1 298 PRO n \n1 299 SER n \n1 300 PRO n \n1 301 THR n \n1 302 ASP n \n1 303 SER n \n1 304 ASN n \n1 305 PHE n \n1 306 TYR n \n1 307 ARG n \n1 308 ALA n \n1 309 LEU n \n1 310 MET n \n1 311 ASP n \n1 312 GLU n \n1 313 GLU n \n1 314 ASP n \n1 315 MET n \n1 316 ASP n \n1 317 ASP n \n1 318 VAL n \n1 319 VAL n \n1 320 ASP n \n1 321 ALA n \n1 322 ASP n \n1 323 GLU n \n1 324 TYR n \n1 325 LEU n \n1 326 ILE n \n1 327 PRO n \n1 328 GLN n \n1 329 GLN n \n1 330 GLY n \n# \n_entity_src_gen.entity_id 1 \n_entity_src_gen.pdbx_src_id 1 \n_entity_src_gen.pdbx_alt_source_flag sample \n_entity_src_gen.pdbx_seq_type ? \n_entity_src_gen.pdbx_beg_seq_num ? \n_entity_src_gen.pdbx_end_seq_num ? \n_entity_src_gen.gene_src_common_name human \n_entity_src_gen.gene_src_genus ? \n_entity_src_gen.pdbx_gene_src_gene 'EGFR, ERBB, ERBB1, HER1' \n_entity_src_gen.gene_src_species ? \n_entity_src_gen.gene_src_strain ? \n_entity_src_gen.gene_src_tissue ? \n_entity_src_gen.gene_src_tissue_fraction ? \n_entity_src_gen.gene_src_details ? \n_entity_src_gen.pdbx_gene_src_fragment ? \n_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' \n_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 \n_entity_src_gen.pdbx_gene_src_variant ? \n_entity_src_gen.pdbx_gene_src_cell_line ? \n_entity_src_gen.pdbx_gene_src_atcc ? \n_entity_src_gen.pdbx_gene_src_organ ? \n_entity_src_gen.pdbx_gene_src_organelle ? \n_entity_src_gen.pdbx_gene_src_cell ? \n_entity_src_gen.pdbx_gene_src_cellular_location ? \n_entity_src_gen.host_org_common_name ? \n_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' \n_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 \n_entity_src_gen.host_org_genus ? \n_entity_src_gen.pdbx_host_org_gene ? \n_entity_src_gen.pdbx_host_org_organ ? \n_entity_src_gen.host_org_species ? \n_entity_src_gen.pdbx_host_org_tissue ? \n_entity_src_gen.pdbx_host_org_tissue_fraction ? \n_entity_src_gen.pdbx_host_org_strain ? \n_entity_src_gen.pdbx_host_org_variant ? \n_entity_src_gen.pdbx_host_org_cell_line Sf9 \n_entity_src_gen.pdbx_host_org_atcc ? \n_entity_src_gen.pdbx_host_org_culture_collection ? \n_entity_src_gen.pdbx_host_org_cell ? \n_entity_src_gen.pdbx_host_org_organelle ? \n_entity_src_gen.pdbx_host_org_cellular_location ? \n_entity_src_gen.pdbx_host_org_vector_type baculovirus \n_entity_src_gen.pdbx_host_org_vector ? \n_entity_src_gen.host_org_details ? \n_entity_src_gen.expression_system_id ? \n_entity_src_gen.plasmid_name pFastBac1 \n_entity_src_gen.plasmid_details ? \n_entity_src_gen.pdbx_description ? \n# \n_struct_ref.id 1 \n_struct_ref.db_name UNP \n_struct_ref.db_code EGFR_HUMAN \n_struct_ref.pdbx_db_accession P00533 \n_struct_ref.entity_id 1 \n_struct_ref.pdbx_seq_one_letter_code \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_struct_ref.pdbx_align_begin 696 \n_struct_ref.pdbx_db_isoform ? \n# \n_struct_ref_seq.align_id 1 \n_struct_ref_seq.ref_id 1 \n_struct_ref_seq.pdbx_PDB_id_code 3W32 \n_struct_ref_seq.pdbx_strand_id A \n_struct_ref_seq.seq_align_beg 4 \n_struct_ref_seq.pdbx_seq_align_beg_ins_code ? \n_struct_ref_seq.seq_align_end 330 \n_struct_ref_seq.pdbx_seq_align_end_ins_code ? \n_struct_ref_seq.pdbx_db_accession P00533 \n_struct_ref_seq.db_align_beg 696 \n_struct_ref_seq.pdbx_db_align_beg_ins_code ? \n_struct_ref_seq.db_align_end 1022 \n_struct_ref_seq.pdbx_db_align_end_ins_code ? \n_struct_ref_seq.pdbx_auth_seq_align_beg 696 \n_struct_ref_seq.pdbx_auth_seq_align_end 1022 \n# \nloop_\n_struct_ref_seq_dif.align_id \n_struct_ref_seq_dif.pdbx_pdb_id_code \n_struct_ref_seq_dif.mon_id \n_struct_ref_seq_dif.pdbx_pdb_strand_id \n_struct_ref_seq_dif.seq_num \n_struct_ref_seq_dif.pdbx_pdb_ins_code \n_struct_ref_seq_dif.pdbx_seq_db_name \n_struct_ref_seq_dif.pdbx_seq_db_accession_code \n_struct_ref_seq_dif.db_mon_id \n_struct_ref_seq_dif.pdbx_seq_db_seq_num \n_struct_ref_seq_dif.details \n_struct_ref_seq_dif.pdbx_auth_seq_num \n_struct_ref_seq_dif.pdbx_ordinal \n1 3W32 GLY A 1 ? UNP P00533 ? ? 'EXPRESSION TAG' 693 1 \n1 3W32 ALA A 2 ? UNP P00533 ? ? 'EXPRESSION TAG' 694 2 \n1 3W32 MET A 3 ? UNP P00533 ? ? 'EXPRESSION TAG' 695 3 \n# \nloop_\n_chem_comp.id \n_chem_comp.type \n_chem_comp.mon_nstd_flag \n_chem_comp.name \n_chem_comp.pdbx_synonyms \n_chem_comp.formula \n_chem_comp.formula_weight \nALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 \nARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 \nASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 \nASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 \nCYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 \nGLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 \nGLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 \nGLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 \nHIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 \nHOH non-polymer . WATER ? 'H2 O' 18.015 \nILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 \nLEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 \nLYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 \nMET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 \nPHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 \nPRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 \nSER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 \nSO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 \nTHR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 \nTRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 \nTYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 \nVAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 \nW32 non-polymer . \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n? 'C25 H23 Cl F3 N5 O4 S' 581.994 \n# \n_exptl.entry_id 3W32 \n_exptl.method 'X-RAY DIFFRACTION' \n_exptl.crystals_number 1 \n# \n_exptl_crystal.id 1 \n_exptl_crystal.density_meas ? \n_exptl_crystal.density_Matthews 2.18 \n_exptl_crystal.density_percent_sol 43.59 \n_exptl_crystal.description ? \n_exptl_crystal.F_000 ? \n_exptl_crystal.preparation ? \n# \n_exptl_crystal_grow.crystal_id 1 \n_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' \n_exptl_crystal_grow.temp 298 \n_exptl_crystal_grow.temp_details ? \n_exptl_crystal_grow.pH 5.5 \n_exptl_crystal_grow.pdbx_pH_range ? \n_exptl_crystal_grow.pdbx_details \n'0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K' \n# \n_diffrn.id 1 \n_diffrn.ambient_temp 100 \n_diffrn.ambient_temp_details ? \n_diffrn.crystal_id 1 \n# \n_diffrn_detector.diffrn_id 1 \n_diffrn_detector.detector CCD \n_diffrn_detector.type 'ADSC QUANTUM 315r' \n_diffrn_detector.pdbx_collection_date 2011-12-21 \n_diffrn_detector.details ? \n# \n_diffrn_radiation.diffrn_id 1 \n_diffrn_radiation.wavelength_id 1 \n_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M \n_diffrn_radiation.monochromator ? \n_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' \n_diffrn_radiation.pdbx_scattering_type x-ray \n# \n_diffrn_radiation_wavelength.id 1 \n_diffrn_radiation_wavelength.wavelength 0.97649 \n_diffrn_radiation_wavelength.wt 1.0 \n# \n_diffrn_source.diffrn_id 1 \n_diffrn_source.source SYNCHROTRON \n_diffrn_source.type 'ALS BEAMLINE 5.0.3' \n_diffrn_source.pdbx_synchrotron_site ALS \n_diffrn_source.pdbx_synchrotron_beamline 5.0.3 \n_diffrn_source.pdbx_wavelength ? \n_diffrn_source.pdbx_wavelength_list 0.97649 \n# \n_reflns.pdbx_diffrn_id 1 \n_reflns.pdbx_ordinal 1 \n_reflns.entry_id 3W32 \n_reflns.observed_criterion_sigma_I ? \n_reflns.observed_criterion_sigma_F ? \n_reflns.d_resolution_low 50 \n_reflns.d_resolution_high 1.8 \n_reflns.number_obs 30817 \n_reflns.number_all ? \n_reflns.percent_possible_obs 99.7 \n_reflns.pdbx_Rmerge_I_obs ? \n_reflns.pdbx_Rsym_value 0.054 \n_reflns.pdbx_netI_over_sigmaI 26.1 \n_reflns.B_iso_Wilson_estimate ? \n_reflns.pdbx_redundancy 4.8 \n_reflns.R_free_details ? \n_reflns.limit_h_max ? \n_reflns.limit_h_min ? \n_reflns.limit_k_max ? \n_reflns.limit_k_min ? \n_reflns.limit_l_max ? \n_reflns.limit_l_min ? \n_reflns.observed_criterion_F_max ? \n_reflns.observed_criterion_F_min ? \n_reflns.pdbx_chi_squared ? \n_reflns.pdbx_scaling_rejects ? \n# \n_reflns_shell.pdbx_diffrn_id 1 \n_reflns_shell.pdbx_ordinal 1 \n_reflns_shell.d_res_high 1.8 \n_reflns_shell.d_res_low 1.83 \n_reflns_shell.percent_possible_all 99.9 \n_reflns_shell.Rmerge_I_obs ? \n_reflns_shell.pdbx_Rsym_value 0.898 \n_reflns_shell.meanI_over_sigI_obs 2.0 \n_reflns_shell.pdbx_redundancy 4.9 \n_reflns_shell.percent_possible_obs ? \n_reflns_shell.number_unique_all ? \n_reflns_shell.number_measured_all ? \n_reflns_shell.number_measured_obs ? \n_reflns_shell.number_unique_obs ? \n_reflns_shell.pdbx_chi_squared ? \n# \n_refine.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine.entry_id 3W32 \n_refine.pdbx_diffrn_id 1 \n_refine.pdbx_TLS_residual_ADP_flag ? \n_refine.ls_number_reflns_obs 29096 \n_refine.ls_number_reflns_all ? \n_refine.pdbx_ls_sigma_I ? \n_refine.pdbx_ls_sigma_F . \n_refine.pdbx_data_cutoff_high_absF ? \n_refine.pdbx_data_cutoff_low_absF ? \n_refine.pdbx_data_cutoff_high_rms_absF ? \n_refine.ls_d_res_low 40.00 \n_refine.ls_d_res_high 1.80 \n_refine.ls_percent_reflns_obs 98.97 \n_refine.ls_R_factor_obs 0.20219 \n_refine.ls_R_factor_all ? \n_refine.ls_R_factor_R_work 0.20045 \n_refine.ls_R_factor_R_free 0.23552 \n_refine.ls_R_factor_R_free_error ? \n_refine.ls_R_factor_R_free_error_details ? \n_refine.ls_percent_reflns_R_free 5.0 \n_refine.ls_number_reflns_R_free 1539 \n_refine.ls_number_parameters ? \n_refine.ls_number_restraints ? \n_refine.occupancy_min ? \n_refine.occupancy_max ? \n_refine.correlation_coeff_Fo_to_Fc 0.962 \n_refine.correlation_coeff_Fo_to_Fc_free 0.943 \n_refine.B_iso_mean 46.448 \n_refine.aniso_B[1][1] 3.86 \n_refine.aniso_B[2][2] 0.11 \n_refine.aniso_B[3][3] -3.97 \n_refine.aniso_B[1][2] -0.00 \n_refine.aniso_B[1][3] -0.00 \n_refine.aniso_B[2][3] -0.00 \n_refine.solvent_model_details MASK \n_refine.solvent_model_param_ksol ? \n_refine.solvent_model_param_bsol ? \n_refine.pdbx_solvent_vdw_probe_radii 1.40 \n_refine.pdbx_solvent_ion_probe_radii 0.80 \n_refine.pdbx_solvent_shrinkage_radii 0.80 \n_refine.pdbx_ls_cross_valid_method THROUGHOUT \n_refine.details ? \n_refine.pdbx_starting_model 1XKK \n_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' \n_refine.pdbx_isotropic_thermal_model ? \n_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' \n_refine.pdbx_stereochem_target_val_spec_case ? \n_refine.pdbx_R_Free_selection_details RANDOM \n_refine.pdbx_overall_ESU_R 0.141 \n_refine.pdbx_overall_ESU_R_Free 0.131 \n_refine.overall_SU_ML 0.103 \n_refine.pdbx_overall_phase_error ? \n_refine.overall_SU_B 6.930 \n_refine.overall_SU_R_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_Blow_DPI ? \n_refine.pdbx_overall_SU_R_free_Blow_DPI ? \n_refine.ls_redundancy_reflns_obs ? \n_refine.B_iso_min ? \n_refine.B_iso_max ? \n_refine.overall_SU_R_free ? \n_refine.ls_wR_factor_R_free ? \n_refine.ls_wR_factor_R_work ? \n_refine.overall_FOM_free_R_set ? \n_refine.overall_FOM_work_R_set ? \n# \n_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_hist.cycle_id LAST \n_refine_hist.pdbx_number_atoms_protein 2545 \n_refine_hist.pdbx_number_atoms_nucleic_acid 0 \n_refine_hist.pdbx_number_atoms_ligand 44 \n_refine_hist.number_atoms_solvent 82 \n_refine_hist.number_atoms_total 2671 \n_refine_hist.d_res_high 1.80 \n_refine_hist.d_res_low 40.00 \n# \nloop_\n_refine_ls_restr.type \n_refine_ls_restr.dev_ideal \n_refine_ls_restr.dev_ideal_target \n_refine_ls_restr.weight \n_refine_ls_restr.number \n_refine_ls_restr.pdbx_refine_id \n_refine_ls_restr.pdbx_restraint_function \nr_bond_refined_d 0.009 0.019 ? 2647 'X-RAY DIFFRACTION' ? \nr_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_angle_refined_deg 1.362 1.995 ? 3587 'X-RAY DIFFRACTION' ? \nr_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_1_deg 5.462 5.000 ? 316 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_2_deg 34.868 24.123 ? 114 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_3_deg 14.009 15.000 ? 481 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_4_deg 16.236 15.000 ? 16 'X-RAY DIFFRACTION' ? \nr_chiral_restr 0.092 0.200 ? 393 'X-RAY DIFFRACTION' ? \nr_gen_planes_refined 0.006 0.021 ? 2017 'X-RAY DIFFRACTION' ? \nr_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? \n# \n_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_ls_shell.pdbx_total_number_of_bins_used 20 \n_refine_ls_shell.d_res_high 1.805 \n_refine_ls_shell.d_res_low 1.852 \n_refine_ls_shell.number_reflns_R_work 2043 \n_refine_ls_shell.R_factor_R_work 0.307 \n_refine_ls_shell.percent_reflns_obs 95.73 \n_refine_ls_shell.R_factor_R_free 0.344 \n_refine_ls_shell.R_factor_R_free_error ? \n_refine_ls_shell.percent_reflns_R_free ? \n_refine_ls_shell.number_reflns_R_free 110 \n_refine_ls_shell.number_reflns_all ? \n_refine_ls_shell.R_factor_all ? \n_refine_ls_shell.redundancy_reflns_obs ? \n_refine_ls_shell.number_reflns_obs ? \n# \n_struct.entry_id 3W32 \n_struct.title 'EGFR kinase domain complexed with compound 20a' \n_struct.pdbx_descriptor 'Epidermal growth factor receptor (E.C.2.7.10.1)' \n_struct.pdbx_model_details ? \n_struct.pdbx_CASP_flag ? \n_struct.pdbx_model_type_details ? \n# \n_struct_keywords.entry_id 3W32 \n_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' \n_struct_keywords.text \n'ANTI-ONCOGENE, CELL CYCLE, DISEASE MUTATION, KINASE DOMAIN, RECEPTOR, TRANSFERASE-TRANSFERASE INHIBITOR complex' \n# \nloop_\n_struct_asym.id \n_struct_asym.pdbx_blank_PDB_chainid_flag \n_struct_asym.pdbx_modified \n_struct_asym.entity_id \n_struct_asym.details \nA N N 1 ? \nB N N 2 ? \nC N N 3 ? \nD N N 4 ? \n# \n_struct_biol.id 1 \n_struct_biol.details ? \n# \nloop_\n_struct_conf.conf_type_id \n_struct_conf.id \n_struct_conf.pdbx_PDB_helix_id \n_struct_conf.beg_label_comp_id \n_struct_conf.beg_label_asym_id \n_struct_conf.beg_label_seq_id \n_struct_conf.pdbx_beg_PDB_ins_code \n_struct_conf.end_label_comp_id \n_struct_conf.end_label_asym_id \n_struct_conf.end_label_seq_id \n_struct_conf.pdbx_end_PDB_ins_code \n_struct_conf.beg_auth_comp_id \n_struct_conf.beg_auth_asym_id \n_struct_conf.beg_auth_seq_id \n_struct_conf.end_auth_comp_id \n_struct_conf.end_auth_asym_id \n_struct_conf.end_auth_seq_id \n_struct_conf.pdbx_PDB_helix_class \n_struct_conf.details \n_struct_conf.pdbx_PDB_helix_length \nHELX_P HELX_P1 1 LYS A 16 ? THR A 18 ? LYS A 708 THR A 710 5 ? 3 \nHELX_P HELX_P2 2 ALA A 63 ? VAL A 77 ? ALA A 755 VAL A 769 1 ? 15 \nHELX_P HELX_P3 3 CYS A 105 ? LYS A 114 ? CYS A 797 LYS A 806 1 ? 10 \nHELX_P HELX_P4 4 ASP A 115 ? ILE A 117 ? ASP A 807 ILE A 809 5 ? 3 \nHELX_P HELX_P5 5 GLY A 118 ? ARG A 139 ? GLY A 810 ARG A 831 1 ? 22 \nHELX_P HELX_P6 6 ALA A 147 ? ARG A 149 ? ALA A 839 ARG A 841 5 ? 3 \nHELX_P HELX_P7 7 GLY A 165 ? LEU A 170 ? GLY A 857 LEU A 862 1 ? 6 \nHELX_P HELX_P8 8 GLU A 174 ? GLU A 180 ? GLU A 866 GLU A 872 1 ? 7 \nHELX_P HELX_P9 9 PRO A 185 ? MET A 189 ? PRO A 877 MET A 881 5 ? 5 \nHELX_P HELX_P10 10 ALA A 190 ? ARG A 197 ? ALA A 882 ARG A 889 1 ? 8 \nHELX_P HELX_P11 11 THR A 200 ? THR A 217 ? THR A 892 THR A 909 1 ? 18 \nHELX_P HELX_P12 12 PRO A 227 ? SER A 229 ? PRO A 919 SER A 921 5 ? 3 \nHELX_P HELX_P13 13 GLU A 230 ? LYS A 237 ? GLU A 922 LYS A 929 1 ? 8 \nHELX_P HELX_P14 14 THR A 248 ? TRP A 259 ? THR A 940 TRP A 951 1 ? 12 \nHELX_P HELX_P15 15 ASP A 262 ? ARG A 266 ? ASP A 954 ARG A 958 5 ? 5 \nHELX_P HELX_P16 16 LYS A 268 ? ALA A 280 ? LYS A 960 ALA A 972 1 ? 13 \nHELX_P HELX_P17 17 ASP A 282 ? LEU A 287 ? ASP A 974 LEU A 979 1 ? 6 \nHELX_P HELX_P18 18 GLY A 291 ? MET A 295 ? GLY A 983 MET A 987 5 ? 5 \nHELX_P HELX_P19 19 SER A 299 ? ASP A 302 ? SER A 991 ASP A 994 5 ? 4 \nHELX_P HELX_P20 20 SER A 303 ? ASP A 311 ? SER A 995 ASP A 1003 1 ? 9 \nHELX_P HELX_P21 21 ASP A 320 ? LEU A 325 ? ASP A 1012 LEU A 1017 1 ? 6 \n# \n_struct_conf_type.id HELX_P \n_struct_conf_type.criteria ? \n_struct_conf_type.reference ? \n# \nloop_\n_struct_sheet.id \n_struct_sheet.type \n_struct_sheet.number_strands \n_struct_sheet.details \nA ? 6 ? \nB ? 2 ? \n# \nloop_\n_struct_sheet_order.sheet_id \n_struct_sheet_order.range_id_1 \n_struct_sheet_order.range_id_2 \n_struct_sheet_order.offset \n_struct_sheet_order.sense \nA 1 2 ? parallel \nA 2 3 ? anti-parallel \nA 3 4 ? anti-parallel \nA 4 5 ? anti-parallel \nA 5 6 ? anti-parallel \nB 1 2 ? anti-parallel \n# \nloop_\n_struct_sheet_range.sheet_id \n_struct_sheet_range.id \n_struct_sheet_range.beg_label_comp_id \n_struct_sheet_range.beg_label_asym_id \n_struct_sheet_range.beg_label_seq_id \n_struct_sheet_range.pdbx_beg_PDB_ins_code \n_struct_sheet_range.end_label_comp_id \n_struct_sheet_range.end_label_asym_id \n_struct_sheet_range.end_label_seq_id \n_struct_sheet_range.pdbx_end_PDB_ins_code \n_struct_sheet_range.beg_auth_comp_id \n_struct_sheet_range.beg_auth_asym_id \n_struct_sheet_range.beg_auth_seq_id \n_struct_sheet_range.end_auth_comp_id \n_struct_sheet_range.end_auth_asym_id \n_struct_sheet_range.end_auth_seq_id \nA 1 ARG A 13 ? ILE A 14 ? ARG A 705 ILE A 706 \nA 2 LEU A 85 ? LEU A 90 ? LEU A 777 LEU A 782 \nA 3 VAL A 94 ? GLN A 99 ? VAL A 786 GLN A 791 \nA 4 ILE A 48 ? LEU A 55 ? ILE A 740 LEU A 747 \nA 5 GLY A 32 ? TRP A 39 ? GLY A 724 TRP A 731 \nA 6 PHE A 20 ? SER A 28 ? PHE A 712 SER A 720 \nB 1 VAL A 151 ? THR A 155 ? VAL A 843 THR A 847 \nB 2 HIS A 158 ? ILE A 161 ? HIS A 850 ILE A 853 \n# \nloop_\n_pdbx_struct_sheet_hbond.sheet_id \n_pdbx_struct_sheet_hbond.range_id_1 \n_pdbx_struct_sheet_hbond.range_id_2 \n_pdbx_struct_sheet_hbond.range_1_label_atom_id \n_pdbx_struct_sheet_hbond.range_1_label_comp_id \n_pdbx_struct_sheet_hbond.range_1_label_asym_id \n_pdbx_struct_sheet_hbond.range_1_label_seq_id \n_pdbx_struct_sheet_hbond.range_1_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_1_auth_atom_id \n_pdbx_struct_sheet_hbond.range_1_auth_comp_id \n_pdbx_struct_sheet_hbond.range_1_auth_asym_id \n_pdbx_struct_sheet_hbond.range_1_auth_seq_id \n_pdbx_struct_sheet_hbond.range_2_label_atom_id \n_pdbx_struct_sheet_hbond.range_2_label_comp_id \n_pdbx_struct_sheet_hbond.range_2_label_asym_id \n_pdbx_struct_sheet_hbond.range_2_label_seq_id \n_pdbx_struct_sheet_hbond.range_2_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_2_auth_atom_id \n_pdbx_struct_sheet_hbond.range_2_auth_comp_id \n_pdbx_struct_sheet_hbond.range_2_auth_asym_id \n_pdbx_struct_sheet_hbond.range_2_auth_seq_id \nA 1 2 N ARG A 13 ? N ARG A 705 O ILE A 88 ? O ILE A 780 \nA 2 3 N GLY A 87 ? N GLY A 779 O ILE A 97 ? O ILE A 789 \nA 3 4 O LEU A 96 ? O LEU A 788 N LYS A 53 ? N LYS A 745 \nA 4 5 O ILE A 48 ? O ILE A 740 N TRP A 39 ? N TRP A 731 \nA 5 6 O LYS A 36 ? O LYS A 728 N ILE A 23 ? N ILE A 715 \nB 1 2 N LEU A 152 ? N LEU A 844 O LYS A 160 ? O LYS A 852 \n# \nloop_\n_struct_site.id \n_struct_site.pdbx_evidence_code \n_struct_site.pdbx_auth_asym_id \n_struct_site.pdbx_auth_comp_id \n_struct_site.pdbx_auth_seq_id \n_struct_site.pdbx_auth_ins_code \n_struct_site.pdbx_num_residues \n_struct_site.details \nAC1 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE W32 A 1101' \nAC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1102' \n# \nloop_\n_struct_site_gen.id \n_struct_site_gen.site_id \n_struct_site_gen.pdbx_num_res \n_struct_site_gen.label_comp_id \n_struct_site_gen.label_asym_id \n_struct_site_gen.label_seq_id \n_struct_site_gen.pdbx_auth_ins_code \n_struct_site_gen.auth_comp_id \n_struct_site_gen.auth_asym_id \n_struct_site_gen.auth_seq_id \n_struct_site_gen.label_atom_id \n_struct_site_gen.label_alt_id \n_struct_site_gen.symmetry \n_struct_site_gen.details \n1 AC1 20 SER A 28 ? SER A 720 . ? 1_555 ? \n2 AC1 20 ALA A 51 ? ALA A 743 . ? 1_555 ? \n3 AC1 20 LYS A 53 ? LYS A 745 . ? 1_555 ? \n4 AC1 20 MET A 74 ? MET A 766 . ? 1_555 ? \n5 AC1 20 CYS A 83 ? CYS A 775 . ? 1_555 ? \n6 AC1 20 ARG A 84 ? ARG A 776 . ? 1_555 ? \n7 AC1 20 LEU A 85 ? LEU A 777 . ? 1_555 ? \n8 AC1 20 LEU A 96 ? LEU A 788 . ? 1_555 ? \n9 AC1 20 THR A 98 ? THR A 790 . ? 1_555 ? \n10 AC1 20 GLN A 99 ? GLN A 791 . ? 1_555 ? \n11 AC1 20 LEU A 100 ? LEU A 792 . ? 1_555 ? \n12 AC1 20 MET A 101 ? MET A 793 . ? 1_555 ? \n13 AC1 20 LEU A 152 ? LEU A 844 . ? 1_555 ? \n14 AC1 20 THR A 162 ? THR A 854 . ? 1_555 ? \n15 AC1 20 ASP A 163 ? ASP A 855 . ? 1_555 ? \n16 AC1 20 PHE A 164 ? PHE A 856 . ? 1_555 ? \n17 AC1 20 ASP A 250 ? ASP A 942 . ? 3_655 ? \n18 AC1 20 PHE A 305 ? PHE A 997 . ? 1_555 ? \n19 AC1 20 HOH D . ? HOH A 2001 . ? 1_555 ? \n20 AC1 20 HOH D . ? HOH A 2010 . ? 1_555 ? \n21 AC2 4 ARG A 111 ? ARG A 803 . ? 1_555 ? \n22 AC2 4 LYS A 221 ? LYS A 913 . ? 1_555 ? \n23 AC2 4 ARG A 285 ? ARG A 977 . ? 3_655 ? \n24 AC2 4 HOH D . ? HOH A 2037 . ? 1_555 ? \n# \n_database_PDB_matrix.entry_id 3W32 \n_database_PDB_matrix.origx[1][1] 1.000000 \n_database_PDB_matrix.origx[1][2] 0.000000 \n_database_PDB_matrix.origx[1][3] 0.000000 \n_database_PDB_matrix.origx[2][1] 0.000000 \n_database_PDB_matrix.origx[2][2] 1.000000 \n_database_PDB_matrix.origx[2][3] 0.000000 \n_database_PDB_matrix.origx[3][1] 0.000000 \n_database_PDB_matrix.origx[3][2] 0.000000 \n_database_PDB_matrix.origx[3][3] 1.000000 \n_database_PDB_matrix.origx_vector[1] 0.00000 \n_database_PDB_matrix.origx_vector[2] 0.00000 \n_database_PDB_matrix.origx_vector[3] 0.00000 \n# \n_atom_sites.entry_id 3W32 \n_atom_sites.fract_transf_matrix[1][1] 0.021532 \n_atom_sites.fract_transf_matrix[1][2] 0.000000 \n_atom_sites.fract_transf_matrix[1][3] 0.000000 \n_atom_sites.fract_transf_matrix[2][1] 0.000000 \n_atom_sites.fract_transf_matrix[2][2] 0.014640 \n_atom_sites.fract_transf_matrix[2][3] 0.000000 \n_atom_sites.fract_transf_matrix[3][1] 0.000000 \n_atom_sites.fract_transf_matrix[3][2] 0.000000 \n_atom_sites.fract_transf_matrix[3][3] 0.009683 \n_atom_sites.fract_transf_vector[1] 0.00000 \n_atom_sites.fract_transf_vector[2] 0.00000 \n_atom_sites.fract_transf_vector[3] 0.00000 \n# \nloop_\n_atom_type.symbol \nC \nCL \nF \nN \nO \nS \n# \nloop_\n_atom_site.group_PDB \n_atom_site.id \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.occupancy \n_atom_site.B_iso_or_equiv \n_atom_site.pdbx_formal_charge \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.pdbx_PDB_model_num \nATOM 1 N N . GLN A 1 9 ? -0.023 33.326 -4.411 1.00 47.95 ? 701 GLN A N 1 \nATOM 2 C CA . GLN A 1 9 ? -0.291 31.978 -3.835 1.00 50.95 ? 701 GLN A CA 1 \nATOM 3 C C . GLN A 1 9 ? 0.946 31.062 -3.957 1.00 47.20 ? 701 GLN A C 1 \nATOM 4 O O . GLN A 1 9 ? 0.876 29.863 -3.659 1.00 47.25 ? 701 GLN A O 1 \nATOM 5 C CB . GLN A 1 9 ? -1.501 31.341 -4.517 1.00 64.85 ? 701 GLN A CB 1 \nATOM 6 C CG . GLN A 1 9 ? -2.441 30.619 -3.562 1.00 84.93 ? 701 GLN A CG 1 \nATOM 7 C CD . GLN A 1 9 ? -3.514 29.816 -4.282 1.00 102.47 ? 701 GLN A CD 1 \nATOM 8 O OE1 . GLN A 1 9 ? -4.681 30.215 -4.329 1.00 95.64 ? 701 GLN A OE1 1 \nATOM 9 N NE2 . GLN A 1 9 ? -3.123 28.679 -4.849 1.00 100.38 ? 701 GLN A NE2 1 \nATOM 10 N N . ALA A 1 10 ? 2.069 31.642 -4.384 1.00 45.71 ? 702 ALA A N 1 \nATOM 11 C CA . ALA A 1 10 ? 3.343 30.929 -4.498 1.00 43.17 ? 702 ALA A CA 1 \nATOM 12 C C . ALA A 1 10 ? 3.775 30.322 -3.161 1.00 47.99 ? 702 ALA A C 1 \nATOM 13 O O . ALA A 1 10 ? 3.538 30.924 -2.110 1.00 44.37 ? 702 ALA A O 1 \nATOM 14 C CB . ALA A 1 10 ? 4.416 31.882 -5.023 1.00 42.30 ? 702 ALA A CB 1 \nATOM 15 N N . LEU A 1 11 ? 4.401 29.139 -3.199 1.00 38.24 ? 703 LEU A N 1 \nATOM 16 C CA . LEU A 1 11 ? 5.009 28.552 -2.003 1.00 37.89 ? 703 LEU A CA 1 \nATOM 17 C C . LEU A 1 11 ? 6.142 29.430 -1.494 1.00 37.81 ? 703 LEU A C 1 \nATOM 18 O O . LEU A 1 11 ? 6.222 29.735 -0.302 1.00 39.19 ? 703 LEU A O 1 \nATOM 19 C CB . LEU A 1 11 ? 5.530 27.130 -2.289 1.00 36.07 ? 703 LEU A CB 1 \nATOM 20 C CG . LEU A 1 11 ? 5.658 26.188 -1.082 1.00 46.85 ? 703 LEU A CG 1 \nATOM 21 C CD1 . LEU A 1 11 ? 4.475 26.310 -0.125 1.00 49.71 ? 703 LEU A CD1 1 \nATOM 22 C CD2 . LEU A 1 11 ? 5.791 24.740 -1.541 1.00 44.12 ? 703 LEU A CD2 1 \nATOM 23 N N . LEU A 1 12 ? 7.016 29.822 -2.415 1.00 33.81 ? 704 LEU A N 1 \nATOM 24 C CA . LEU A 1 12 ? 8.054 30.799 -2.155 1.00 32.97 ? 704 LEU A CA 1 \nATOM 25 C C . LEU A 1 12 ? 7.590 32.151 -2.677 1.00 34.88 ? 704 LEU A C 1 \nATOM 26 O O . LEU A 1 12 ? 7.644 32.424 -3.878 1.00 34.62 ? 704 LEU A O 1 \nATOM 27 C CB . LEU A 1 12 ? 9.371 30.386 -2.831 1.00 33.39 ? 704 LEU A CB 1 \nATOM 28 C CG . LEU A 1 12 ? 10.591 31.295 -2.585 1.00 38.51 ? 704 LEU A CG 1 \nATOM 29 C CD1 . LEU A 1 12 ? 10.953 31.361 -1.104 1.00 34.30 ? 704 LEU A CD1 1 \nATOM 30 C CD2 . LEU A 1 12 ? 11.796 30.854 -3.421 1.00 39.10 ? 704 LEU A CD2 1 \nATOM 31 N N . ARG A 1 13 ? 7.120 33.006 -1.775 1.00 35.37 ? 705 ARG A N 1 \nATOM 32 C CA . ARG A 1 13 ? 6.680 34.346 -2.183 1.00 37.73 ? 705 ARG A CA 1 \nATOM 33 C C . ARG A 1 13 ? 7.840 35.253 -2.555 1.00 41.05 ? 705 ARG A C 1 \nATOM 34 O O . ARG A 1 13 ? 8.844 35.319 -1.838 1.00 40.80 ? 705 ARG A O 1 \nATOM 35 C CB . ARG A 1 13 ? 5.837 34.997 -1.093 1.00 46.62 ? 705 ARG A CB 1 \nATOM 36 C CG . ARG A 1 13 ? 4.460 34.388 -0.965 1.00 48.65 ? 705 ARG A CG 1 \nATOM 37 C CD . ARG A 1 13 ? 3.829 34.763 0.358 1.00 65.57 ? 705 ARG A CD 1 \nATOM 38 N NE . ARG A 1 13 ? 2.514 35.377 0.173 1.00 86.68 ? 705 ARG A NE 1 \nATOM 39 C CZ . ARG A 1 13 ? 1.353 34.757 0.356 1.00 93.12 ? 705 ARG A CZ 1 \nATOM 40 N NH1 . ARG A 1 13 ? 1.317 33.485 0.736 1.00 98.53 ? 705 ARG A NH1 1 \nATOM 41 N NH2 . ARG A 1 13 ? 0.220 35.417 0.161 1.00 92.67 ? 705 ARG A NH2 1 \nATOM 42 N N . ILE A 1 14 ? 7.698 35.943 -3.686 1.00 39.60 ? 706 ILE A N 1 \nATOM 43 C CA . ILE A 1 14 ? 8.700 36.898 -4.116 1.00 43.49 ? 706 ILE A CA 1 \nATOM 44 C C . ILE A 1 14 ? 8.207 38.234 -3.610 1.00 47.29 ? 706 ILE A C 1 \nATOM 45 O O . ILE A 1 14 ? 7.260 38.798 -4.160 1.00 44.25 ? 706 ILE A O 1 \nATOM 46 C CB . ILE A 1 14 ? 8.837 36.961 -5.649 1.00 52.42 ? 706 ILE A CB 1 \nATOM 47 C CG1 . ILE A 1 14 ? 9.004 35.559 -6.256 1.00 51.04 ? 706 ILE A CG1 1 \nATOM 48 C CG2 . ILE A 1 14 ? 9.975 37.897 -6.048 1.00 53.78 ? 706 ILE A CG2 1 \nATOM 49 C CD1 . ILE A 1 14 ? 10.122 34.729 -5.654 1.00 43.80 ? 706 ILE A CD1 1 \nATOM 50 N N . LEU A 1 15 ? 8.836 38.729 -2.552 1.00 44.78 ? 707 LEU A N 1 \nATOM 51 C CA . LEU A 1 15 ? 8.365 39.947 -1.911 1.00 45.23 ? 707 LEU A CA 1 \nATOM 52 C C . LEU A 1 15 ? 9.109 41.154 -2.458 1.00 51.28 ? 707 LEU A C 1 \nATOM 53 O O . LEU A 1 15 ? 10.318 41.092 -2.692 1.00 49.23 ? 707 LEU A O 1 \nATOM 54 C CB . LEU A 1 15 ? 8.544 39.881 -0.391 1.00 47.65 ? 707 LEU A CB 1 \nATOM 55 C CG . LEU A 1 15 ? 8.012 38.705 0.428 1.00 54.52 ? 707 LEU A CG 1 \nATOM 56 C CD1 . LEU A 1 15 ? 8.324 38.928 1.896 1.00 43.38 ? 707 LEU A CD1 1 \nATOM 57 C CD2 . LEU A 1 15 ? 6.521 38.497 0.232 1.00 44.93 ? 707 LEU A CD2 1 \nATOM 58 N N . LYS A 1 16 ? 8.366 42.237 -2.676 1.00 49.18 ? 708 LYS A N 1 \nATOM 59 C CA . LYS A 1 16 ? 8.936 43.529 -3.035 1.00 61.50 ? 708 LYS A CA 1 \nATOM 60 C C . LYS A 1 16 ? 9.393 44.224 -1.768 1.00 50.76 ? 708 LYS A C 1 \nATOM 61 O O . LYS A 1 16 ? 8.770 44.070 -0.717 1.00 45.43 ? 708 LYS A O 1 \nATOM 62 C CB . LYS A 1 16 ? 7.891 44.407 -3.729 1.00 62.24 ? 708 LYS A CB 1 \nATOM 63 C CG . LYS A 1 16 ? 7.556 44.004 -5.157 1.00 77.38 ? 708 LYS A CG 1 \nATOM 64 C CD . LYS A 1 16 ? 6.048 43.943 -5.381 1.00 92.20 ? 708 LYS A CD 1 \nATOM 65 C CE . LYS A 1 16 ? 5.334 45.228 -4.984 1.00 96.25 ? 708 LYS A CE 1 \nATOM 66 N NZ . LYS A 1 16 ? 3.853 45.097 -5.081 1.00 100.00 ? 708 LYS A NZ 1 \nATOM 67 N N . GLU A 1 17 ? 10.473 44.994 -1.879 1.00 51.48 ? 709 GLU A N 1 \nATOM 68 C CA . GLU A 1 17 ? 11.019 45.768 -0.758 1.00 53.55 ? 709 GLU A CA 1 \nATOM 69 C C . GLU A 1 17 ? 9.963 46.612 -0.044 1.00 57.51 ? 709 GLU A C 1 \nATOM 70 O O . GLU A 1 17 ? 10.016 46.795 1.175 1.00 53.23 ? 709 GLU A O 1 \nATOM 71 C CB . GLU A 1 17 ? 12.169 46.651 -1.235 1.00 59.31 ? 709 GLU A CB 1 \nATOM 72 C CG . GLU A 1 17 ? 13.434 45.873 -1.562 1.00 72.06 ? 709 GLU A CG 1 \nATOM 73 C CD . GLU A 1 17 ? 14.597 46.768 -1.940 1.00 93.68 ? 709 GLU A CD 1 \nATOM 74 O OE1 . GLU A 1 17 ? 15.553 46.867 -1.141 1.00 83.68 ? 709 GLU A OE1 1 \nATOM 75 O OE2 . GLU A 1 17 ? 14.556 47.370 -3.037 1.00 102.62 ? 709 GLU A OE2 1 \nATOM 76 N N . THR A 1 18 ? 9.000 47.113 -0.809 1.00 57.55 ? 710 THR A N 1 \nATOM 77 C CA . THR A 1 18 ? 7.909 47.910 -0.252 1.00 61.28 ? 710 THR A CA 1 \nATOM 78 C C . THR A 1 18 ? 6.964 47.093 0.638 1.00 54.24 ? 710 THR A C 1 \nATOM 79 O O . THR A 1 18 ? 6.198 47.661 1.416 1.00 57.81 ? 710 THR A O 1 \nATOM 80 C CB . THR A 1 18 ? 7.093 48.606 -1.364 1.00 63.46 ? 710 THR A CB 1 \nATOM 81 O OG1 . THR A 1 18 ? 6.576 47.624 -2.275 1.00 63.38 ? 710 THR A OG1 1 \nATOM 82 C CG2 . THR A 1 18 ? 7.958 49.614 -2.128 1.00 61.93 ? 710 THR A CG2 1 \nATOM 83 N N . GLU A 1 19 ? 7.034 45.765 0.530 1.00 50.22 ? 711 GLU A N 1 \nATOM 84 C CA . GLU A 1 19 ? 6.124 44.862 1.239 1.00 56.68 ? 711 GLU A CA 1 \nATOM 85 C C . GLU A 1 19 ? 6.551 44.536 2.659 1.00 57.72 ? 711 GLU A C 1 \nATOM 86 O O . GLU A 1 19 ? 5.754 44.024 3.451 1.00 52.39 ? 711 GLU A O 1 \nATOM 87 C CB . GLU A 1 19 ? 6.023 43.535 0.507 1.00 61.93 ? 711 GLU A CB 1 \nATOM 88 C CG . GLU A 1 19 ? 5.118 43.514 -0.698 1.00 62.49 ? 711 GLU A CG 1 \nATOM 89 C CD . GLU A 1 19 ? 5.016 42.116 -1.252 1.00 59.26 ? 711 GLU A CD 1 \nATOM 90 O OE1 . GLU A 1 19 ? 5.574 41.880 -2.337 1.00 54.03 ? 711 GLU A OE1 1 \nATOM 91 O OE2 . GLU A 1 19 ? 4.413 41.250 -0.581 1.00 74.56 ? 711 GLU A OE2 1 \nATOM 92 N N . PHE A 1 20 ? 7.816 44.782 2.967 1.00 48.75 ? 712 PHE A N 1 \nATOM 93 C CA . PHE A 1 20 ? 8.343 44.449 4.291 1.00 54.26 ? 712 PHE A CA 1 \nATOM 94 C C . PHE A 1 20 ? 9.321 45.508 4.795 1.00 45.27 ? 712 PHE A C 1 \nATOM 95 O O . PHE A 1 20 ? 9.920 46.235 4.000 1.00 48.92 ? 712 PHE A O 1 \nATOM 96 C CB . PHE A 1 20 ? 8.976 43.045 4.294 1.00 46.56 ? 712 PHE A CB 1 \nATOM 97 C CG . PHE A 1 20 ? 10.222 42.928 3.457 1.00 42.91 ? 712 PHE A CG 1 \nATOM 98 C CD1 . PHE A 1 20 ? 11.483 43.010 4.046 1.00 51.07 ? 712 PHE A CD1 1 \nATOM 99 C CD2 . PHE A 1 20 ? 10.147 42.734 2.077 1.00 46.22 ? 712 PHE A CD2 1 \nATOM 100 C CE1 . PHE A 1 20 ? 12.644 42.902 3.285 1.00 44.32 ? 712 PHE A CE1 1 \nATOM 101 C CE2 . PHE A 1 20 ? 11.308 42.632 1.312 1.00 42.45 ? 712 PHE A CE2 1 \nATOM 102 C CZ . PHE A 1 20 ? 12.558 42.714 1.917 1.00 46.72 ? 712 PHE A CZ 1 \nATOM 103 N N . LYS A 1 21 ? 9.481 45.577 6.115 1.00 46.12 ? 713 LYS A N 1 \nATOM 104 C CA . LYS A 1 21 ? 10.320 46.606 6.756 1.00 45.30 ? 713 LYS A CA 1 \nATOM 105 C C . LYS A 1 21 ? 11.170 46.000 7.867 1.00 49.56 ? 713 LYS A C 1 \nATOM 106 O O . LYS A 1 21 ? 10.647 45.280 8.717 1.00 45.46 ? 713 LYS A O 1 \nATOM 107 C CB . LYS A 1 21 ? 9.456 47.720 7.356 1.00 49.90 ? 713 LYS A CB 1 \nATOM 108 C CG . LYS A 1 21 ? 8.771 48.628 6.353 1.00 61.39 ? 713 LYS A CG 1 \nATOM 109 C CD . LYS A 1 21 ? 7.824 49.599 7.050 1.00 81.27 ? 713 LYS A CD 1 \nATOM 110 C CE . LYS A 1 21 ? 6.888 50.280 6.056 1.00 69.86 ? 713 LYS A CE 1 \nATOM 111 N NZ . LYS A 1 21 ? 6.043 51.324 6.705 1.00 75.33 ? 713 LYS A NZ 1 \nATOM 112 N N . LYS A 1 22 ? 12.471 46.301 7.847 1.00 42.35 ? 714 LYS A N 1 \nATOM 113 C CA . LYS A 1 22 ? 13.389 45.951 8.930 1.00 46.11 ? 714 LYS A CA 1 \nATOM 114 C C . LYS A 1 22 ? 13.160 46.943 10.061 1.00 49.85 ? 714 LYS A C 1 \nATOM 115 O O . LYS A 1 22 ? 13.256 48.154 9.856 1.00 46.66 ? 714 LYS A O 1 \nATOM 116 C CB . LYS A 1 22 ? 14.845 46.063 8.477 1.00 49.54 ? 714 LYS A CB 1 \nATOM 117 C CG . LYS A 1 22 ? 15.287 45.129 7.369 1.00 53.76 ? 714 LYS A CG 1 \nATOM 118 C CD . LYS A 1 22 ? 16.780 45.310 7.156 1.00 53.79 ? 714 LYS A CD 1 \nATOM 119 C CE . LYS A 1 22 ? 17.258 44.686 5.862 1.00 52.83 ? 714 LYS A CE 1 \nATOM 120 N NZ . LYS A 1 22 ? 16.787 45.457 4.676 1.00 51.68 ? 714 LYS A NZ 1 \nATOM 121 N N . ILE A 1 23 ? 12.852 46.439 11.251 1.00 41.67 ? 715 ILE A N 1 \nATOM 122 C CA . ILE A 1 23 ? 12.489 47.317 12.368 1.00 48.15 ? 715 ILE A CA 1 \nATOM 123 C C . ILE A 1 23 ? 13.658 47.486 13.336 1.00 52.85 ? 715 ILE A C 1 \nATOM 124 O O . ILE A 1 23 ? 14.015 48.611 13.693 1.00 49.85 ? 715 ILE A O 1 \nATOM 125 C CB . ILE A 1 23 ? 11.191 46.843 13.061 1.00 41.49 ? 715 ILE A CB 1 \nATOM 126 C CG1 . ILE A 1 23 ? 10.029 47.003 12.077 1.00 54.99 ? 715 ILE A CG1 1 \nATOM 127 C CG2 . ILE A 1 23 ? 10.918 47.629 14.339 1.00 47.96 ? 715 ILE A CG2 1 \nATOM 128 C CD1 . ILE A 1 23 ? 8.670 46.667 12.641 1.00 54.20 ? 715 ILE A CD1 1 \nATOM 129 N N . LYS A 1 24 ? 14.260 46.369 13.744 1.00 43.46 ? 716 LYS A N 1 \nATOM 130 C CA . LYS A 1 24 ? 15.429 46.392 14.621 1.00 42.49 ? 716 LYS A CA 1 \nATOM 131 C C . LYS A 1 24 ? 16.392 45.271 14.247 1.00 45.76 ? 716 LYS A C 1 \nATOM 132 O O . LYS A 1 24 ? 15.983 44.237 13.719 1.00 37.65 ? 716 LYS A O 1 \nATOM 133 C CB . LYS A 1 24 ? 15.018 46.242 16.094 1.00 41.41 ? 716 LYS A CB 1 \nATOM 134 C CG . LYS A 1 24 ? 14.316 47.443 16.710 1.00 50.17 ? 716 LYS A CG 1 \nATOM 135 C CD . LYS A 1 24 ? 15.288 48.548 17.111 1.00 45.61 ? 716 LYS A CD 1 \nATOM 136 C CE . LYS A 1 24 ? 14.606 49.912 17.154 1.00 50.59 ? 716 LYS A CE 1 \nATOM 137 N NZ . LYS A 1 24 ? 13.715 50.066 18.332 1.00 57.19 ? 716 LYS A NZ 1 \nATOM 138 N N . VAL A 1 25 ? 17.673 45.475 14.541 1.00 41.16 ? 717 VAL A N 1 \nATOM 139 C CA . VAL A 1 25 ? 18.678 44.442 14.362 1.00 44.05 ? 717 VAL A CA 1 \nATOM 140 C C . VAL A 1 25 ? 18.537 43.387 15.446 1.00 43.45 ? 717 VAL A C 1 \nATOM 141 O O . VAL A 1 25 ? 18.310 43.709 16.608 1.00 42.18 ? 717 VAL A O 1 \nATOM 142 C CB . VAL A 1 25 ? 20.107 45.009 14.449 1.00 51.16 ? 717 VAL A CB 1 \nATOM 143 C CG1 . VAL A 1 25 ? 21.126 43.887 14.314 1.00 47.71 ? 717 VAL A CG1 1 \nATOM 144 C CG2 . VAL A 1 25 ? 20.336 46.059 13.379 1.00 50.70 ? 717 VAL A CG2 1 \nATOM 145 N N . LEU A 1 26 ? 18.670 42.119 15.068 1.00 37.54 ? 718 LEU A N 1 \nATOM 146 C CA . LEU A 1 26 ? 18.797 41.074 16.067 1.00 33.15 ? 718 LEU A CA 1 \nATOM 147 C C . LEU A 1 26 ? 20.279 40.757 16.246 1.00 37.30 ? 718 LEU A C 1 \nATOM 148 O O . LEU A 1 26 ? 20.810 40.967 17.326 1.00 35.69 ? 718 LEU A O 1 \nATOM 149 C CB . LEU A 1 26 ? 17.938 39.850 15.721 1.00 36.59 ? 718 LEU A CB 1 \nATOM 150 C CG . LEU A 1 26 ? 16.428 40.166 15.737 1.00 36.86 ? 718 LEU A CG 1 \nATOM 151 C CD1 . LEU A 1 26 ? 15.544 39.021 15.239 1.00 37.85 ? 718 LEU A CD1 1 \nATOM 152 C CD2 . LEU A 1 26 ? 15.991 40.593 17.131 1.00 43.64 ? 718 LEU A CD2 1 \nATOM 153 N N . GLY A 1 27 ? 20.953 40.292 15.192 1.00 36.46 ? 719 GLY A N 1 \nATOM 154 C CA . GLY A 1 27 ? 22.388 39.991 15.276 1.00 44.27 ? 719 GLY A CA 1 \nATOM 155 C C . GLY A 1 27 ? 23.000 39.439 14.002 1.00 57.08 ? 719 GLY A C 1 \nATOM 156 O O . GLY A 1 27 ? 22.282 39.077 13.066 1.00 53.06 ? 719 GLY A O 1 \nATOM 157 N N . SER A 1 28 ? 24.332 39.364 13.984 1.00 50.75 ? 720 SER A N 1 \nATOM 158 C CA . SER A 1 28 ? 25.091 38.813 12.856 1.00 51.92 ? 720 SER A CA 1 \nATOM 159 C C . SER A 1 28 ? 25.623 37.404 13.118 1.00 49.94 ? 720 SER A C 1 \nATOM 160 O O . SER A 1 28 ? 25.669 36.937 14.256 1.00 55.24 ? 720 SER A O 1 \nATOM 161 C CB . SER A 1 28 ? 26.258 39.736 12.495 1.00 63.92 ? 720 SER A CB 1 \nATOM 162 O OG . SER A 1 28 ? 25.807 40.883 11.797 1.00 68.03 ? 720 SER A OG 1 \nATOM 163 N N . GLY A 1 29 ? 26.029 36.737 12.043 1.00 57.18 ? 721 GLY A N 1 \nATOM 164 C CA . GLY A 1 29 ? 26.598 35.399 12.113 1.00 57.01 ? 721 GLY A CA 1 \nATOM 165 C C . GLY A 1 29 ? 27.510 35.199 10.922 1.00 63.27 ? 721 GLY A C 1 \nATOM 166 O O . GLY A 1 29 ? 27.672 36.108 10.098 1.00 61.34 ? 721 GLY A O 1 \nATOM 167 N N . ALA A 1 30 ? 28.107 34.012 10.835 1.00 71.41 ? 722 ALA A N 1 \nATOM 168 C CA . ALA A 1 30 ? 28.983 33.644 9.716 1.00 73.15 ? 722 ALA A CA 1 \nATOM 169 C C . ALA A 1 30 ? 28.313 33.834 8.352 1.00 71.72 ? 722 ALA A C 1 \nATOM 170 O O . ALA A 1 30 ? 28.929 34.359 7.417 1.00 59.12 ? 722 ALA A O 1 \nATOM 171 C CB . ALA A 1 30 ? 29.472 32.207 9.870 1.00 75.65 ? 722 ALA A CB 1 \nATOM 172 N N . PHE A 1 31 ? 27.048 33.425 8.245 1.00 55.28 ? 723 PHE A N 1 \nATOM 173 C CA . PHE A 1 31 ? 26.364 33.451 6.959 1.00 45.36 ? 723 PHE A CA 1 \nATOM 174 C C . PHE A 1 31 ? 25.582 34.728 6.671 1.00 48.16 ? 723 PHE A C 1 \nATOM 175 O O . PHE A 1 31 ? 25.209 34.967 5.523 1.00 48.85 ? 723 PHE A O 1 \nATOM 176 C CB . PHE A 1 31 ? 25.478 32.207 6.773 1.00 54.29 ? 723 PHE A CB 1 \nATOM 177 C CG . PHE A 1 31 ? 26.238 30.908 6.806 1.00 54.47 ? 723 PHE A CG 1 \nATOM 178 C CD1 . PHE A 1 31 ? 25.767 29.831 7.558 1.00 50.67 ? 723 PHE A CD1 1 \nATOM 179 C CD2 . PHE A 1 31 ? 27.441 30.759 6.102 1.00 49.42 ? 723 PHE A CD2 1 \nATOM 180 C CE1 . PHE A 1 31 ? 26.475 28.635 7.608 1.00 55.72 ? 723 PHE A CE1 1 \nATOM 181 C CE2 . PHE A 1 31 ? 28.142 29.562 6.141 1.00 43.55 ? 723 PHE A CE2 1 \nATOM 182 C CZ . PHE A 1 31 ? 27.667 28.504 6.905 1.00 48.56 ? 723 PHE A CZ 1 \nATOM 183 N N . GLY A 1 32 ? 25.325 35.543 7.693 1.00 43.86 ? 724 GLY A N 1 \nATOM 184 C CA . GLY A 1 32 ? 24.590 36.788 7.469 1.00 31.49 ? 724 GLY A CA 1 \nATOM 185 C C . GLY A 1 32 ? 24.017 37.449 8.711 1.00 41.98 ? 724 GLY A C 1 \nATOM 186 O O . GLY A 1 32 ? 24.322 37.039 9.836 1.00 47.37 ? 724 GLY A O 1 \nATOM 187 N N . THR A 1 33 ? 23.156 38.446 8.488 1.00 38.68 ? 725 THR A N 1 \nATOM 188 C CA . THR A 1 33 ? 22.603 39.310 9.542 1.00 38.78 ? 725 THR A CA 1 \nATOM 189 C C . THR A 1 33 ? 21.065 39.285 9.625 1.00 38.49 ? 725 THR A C 1 \nATOM 190 O O . THR A 1 33 ? 20.391 39.449 8.608 1.00 33.98 ? 725 THR A O 1 \nATOM 191 C CB . THR A 1 33 ? 23.053 40.762 9.320 1.00 49.97 ? 725 THR A CB 1 \nATOM 192 O OG1 . THR A 1 33 ? 24.483 40.810 9.375 1.00 46.95 ? 725 THR A OG1 1 \nATOM 193 C CG2 . THR A 1 33 ? 22.472 41.700 10.383 1.00 44.75 ? 725 THR A CG2 1 \nATOM 194 N N . VAL A 1 34 ? 20.534 39.134 10.842 1.00 32.51 ? 726 VAL A N 1 \nATOM 195 C CA . VAL A 1 34 ? 19.070 38.979 11.051 1.00 35.80 ? 726 VAL A CA 1 \nATOM 196 C C . VAL A 1 34 ? 18.414 40.191 11.729 1.00 34.03 ? 726 VAL A C 1 \nATOM 197 O O . VAL A 1 34 ? 18.988 40.751 12.672 1.00 34.12 ? 726 VAL A O 1 \nATOM 198 C CB . VAL A 1 34 ? 18.745 37.679 11.833 1.00 33.62 ? 726 VAL A CB 1 \nATOM 199 C CG1 . VAL A 1 34 ? 17.231 37.439 11.869 1.00 35.20 ? 726 VAL A CG1 1 \nATOM 200 C CG2 . VAL A 1 34 ? 19.400 36.488 11.163 1.00 37.39 ? 726 VAL A CG2 1 \nATOM 201 N N . TYR A 1 35 ? 17.215 40.566 11.254 1.00 33.84 ? 727 TYR A N 1 \nATOM 202 C CA . TYR A 1 35 ? 16.439 41.698 11.760 1.00 32.33 ? 727 TYR A CA 1 \nATOM 203 C C . TYR A 1 35 ? 15.042 41.252 12.170 1.00 37.12 ? 727 TYR A C 1 \nATOM 204 O O . TYR A 1 35 ? 14.463 40.338 11.555 1.00 34.66 ? 727 TYR A O 1 \nATOM 205 C CB . TYR A 1 35 ? 16.246 42.780 10.672 1.00 34.43 ? 727 TYR A CB 1 \nATOM 206 C CG . TYR A 1 35 ? 17.514 43.312 10.073 1.00 40.06 ? 727 TYR A CG 1 \nATOM 207 C CD1 . TYR A 1 35 ? 18.048 44.535 10.495 1.00 44.66 ? 727 TYR A CD1 1 \nATOM 208 C CD2 . TYR A 1 35 ? 18.204 42.586 9.100 1.00 48.07 ? 727 TYR A CD2 1 \nATOM 209 C CE1 . TYR A 1 35 ? 19.233 45.017 9.958 1.00 40.67 ? 727 TYR A CE1 1 \nATOM 210 C CE2 . TYR A 1 35 ? 19.393 43.057 8.559 1.00 45.69 ? 727 TYR A CE2 1 \nATOM 211 C CZ . TYR A 1 35 ? 19.897 44.277 8.987 1.00 50.79 ? 727 TYR A CZ 1 \nATOM 212 O OH . TYR A 1 35 ? 21.076 44.738 8.449 1.00 40.87 ? 727 TYR A OH 1 \nATOM 213 N N . LYS A 1 36 ? 14.496 41.908 13.186 1.00 31.04 ? 728 LYS A N 1 \nATOM 214 C CA . LYS A 1 36 ? 13.046 41.836 13.452 1.00 34.53 ? 728 LYS A CA 1 \nATOM 215 C C . LYS A 1 36 ? 12.362 42.756 12.451 1.00 38.87 ? 728 LYS A C 1 \nATOM 216 O O . LYS A 1 36 ? 12.862 43.841 12.167 1.00 39.43 ? 728 LYS A O 1 \nATOM 217 C CB . LYS A 1 36 ? 12.735 42.293 14.875 1.00 39.98 ? 728 LYS A CB 1 \nATOM 218 C CG . LYS A 1 36 ? 11.263 42.187 15.275 1.00 50.05 ? 728 LYS A CG 1 \nATOM 219 C CD . LYS A 1 36 ? 10.997 42.809 16.640 1.00 41.41 ? 728 LYS A CD 1 \nATOM 220 C CE . LYS A 1 36 ? 10.879 44.322 16.557 1.00 49.69 ? 728 LYS A CE 1 \nATOM 221 N NZ . LYS A 1 36 ? 10.778 44.921 17.913 1.00 50.16 ? 728 LYS A NZ 1 \nATOM 222 N N . GLY A 1 37 ? 11.222 42.334 11.912 1.00 38.44 ? 729 GLY A N 1 \nATOM 223 C CA . GLY A 1 37 ? 10.526 43.156 10.939 1.00 40.01 ? 729 GLY A CA 1 \nATOM 224 C C . GLY A 1 37 ? 9.034 42.913 10.861 1.00 36.82 ? 729 GLY A C 1 \nATOM 225 O O . GLY A 1 37 ? 8.488 42.144 11.635 1.00 33.00 ? 729 GLY A O 1 \nATOM 226 N N . LEU A 1 38 ? 8.388 43.608 9.930 1.00 42.24 ? 730 LEU A N 1 \nATOM 227 C CA . LEU A 1 38 ? 6.978 43.392 9.627 1.00 41.16 ? 730 LEU A CA 1 \nATOM 228 C C . LEU A 1 38 ? 6.790 43.121 8.139 1.00 37.54 ? 730 LEU A C 1 \nATOM 229 O O . LEU A 1 38 ? 7.381 43.794 7.295 1.00 43.28 ? 730 LEU A O 1 \nATOM 230 C CB . LEU A 1 38 ? 6.128 44.602 10.042 1.00 55.61 ? 730 LEU A CB 1 \nATOM 231 C CG . LEU A 1 38 ? 5.797 44.815 11.522 1.00 54.61 ? 730 LEU A CG 1 \nATOM 232 C CD1 . LEU A 1 38 ? 5.056 46.134 11.690 1.00 55.22 ? 730 LEU A CD1 1 \nATOM 233 C CD2 . LEU A 1 38 ? 4.985 43.665 12.105 1.00 62.65 ? 730 LEU A CD2 1 \nATOM 234 N N . TRP A 1 39 ? 5.976 42.119 7.831 1.00 42.21 ? 731 TRP A N 1 \nATOM 235 C CA . TRP A 1 39 ? 5.575 41.865 6.463 1.00 38.29 ? 731 TRP A CA 1 \nATOM 236 C C . TRP A 1 39 ? 4.115 42.307 6.264 1.00 44.54 ? 731 TRP A C 1 \nATOM 237 O O . TRP A 1 39 ? 3.205 41.854 6.974 1.00 40.95 ? 731 TRP A O 1 \nATOM 238 C CB . TRP A 1 39 ? 5.791 40.400 6.085 1.00 44.76 ? 731 TRP A CB 1 \nATOM 239 C CG . TRP A 1 39 ? 5.239 40.023 4.741 1.00 49.04 ? 731 TRP A CG 1 \nATOM 240 C CD1 . TRP A 1 39 ? 5.266 40.773 3.595 1.00 56.68 ? 731 TRP A CD1 1 \nATOM 241 C CD2 . TRP A 1 39 ? 4.591 38.792 4.399 1.00 57.71 ? 731 TRP A CD2 1 \nATOM 242 N NE1 . TRP A 1 39 ? 4.663 40.089 2.569 1.00 61.09 ? 731 TRP A NE1 1 \nATOM 243 C CE2 . TRP A 1 39 ? 4.244 38.869 3.032 1.00 55.11 ? 731 TRP A CE2 1 \nATOM 244 C CE3 . TRP A 1 39 ? 4.266 37.631 5.118 1.00 50.16 ? 731 TRP A CE3 1 \nATOM 245 C CZ2 . TRP A 1 39 ? 3.587 37.833 2.369 1.00 65.58 ? 731 TRP A CZ2 1 \nATOM 246 C CZ3 . TRP A 1 39 ? 3.615 36.603 4.461 1.00 59.33 ? 731 TRP A CZ3 1 \nATOM 247 C CH2 . TRP A 1 39 ? 3.276 36.713 3.098 1.00 60.58 ? 731 TRP A CH2 1 \nATOM 248 N N . ILE A 1 40 ? 3.936 43.209 5.304 1.00 46.64 ? 732 ILE A N 1 \nATOM 249 C CA . ILE A 1 40 ? 2.625 43.709 4.887 1.00 54.61 ? 732 ILE A CA 1 \nATOM 250 C C . ILE A 1 40 ? 2.347 43.178 3.476 1.00 52.31 ? 732 ILE A C 1 \nATOM 251 O O . ILE A 1 40 ? 2.779 43.779 2.492 1.00 58.58 ? 732 ILE A O 1 \nATOM 252 C CB . ILE A 1 40 ? 2.602 45.255 4.904 1.00 54.63 ? 732 ILE A CB 1 \nATOM 253 C CG1 . ILE A 1 40 ? 3.132 45.776 6.246 1.00 54.82 ? 732 ILE A CG1 1 \nATOM 254 C CG2 . ILE A 1 40 ? 1.194 45.787 4.641 1.00 66.79 ? 732 ILE A CG2 1 \nATOM 255 C CD1 . ILE A 1 40 ? 3.898 47.083 6.154 1.00 59.18 ? 732 ILE A CD1 1 \nATOM 256 N N . PRO A 1 41 ? 1.668 42.016 3.370 1.00 54.05 ? 733 PRO A N 1 \nATOM 257 C CA . PRO A 1 41 ? 1.327 41.500 2.042 1.00 58.55 ? 733 PRO A CA 1 \nATOM 258 C C . PRO A 1 41 ? 0.630 42.595 1.229 1.00 65.49 ? 733 PRO A C 1 \nATOM 259 O O . PRO A 1 41 ? -0.188 43.342 1.778 1.00 49.96 ? 733 PRO A O 1 \nATOM 260 C CB . PRO A 1 41 ? 0.373 40.346 2.348 1.00 64.25 ? 733 PRO A CB 1 \nATOM 261 C CG . PRO A 1 41 ? 0.768 39.882 3.707 1.00 61.88 ? 733 PRO A CG 1 \nATOM 262 C CD . PRO A 1 41 ? 1.226 41.110 4.446 1.00 62.75 ? 733 PRO A CD 1 \nATOM 263 N N . GLU A 1 42 ? 0.979 42.695 -0.052 1.00 70.24 ? 734 GLU A N 1 \nATOM 264 C CA . GLU A 1 42 ? 0.686 43.884 -0.872 1.00 94.73 ? 734 GLU A CA 1 \nATOM 265 C C . GLU A 1 42 ? -0.777 44.355 -0.899 1.00 97.63 ? 734 GLU A C 1 \nATOM 266 O O . GLU A 1 42 ? -1.074 45.485 -0.500 1.00 94.38 ? 734 GLU A O 1 \nATOM 267 C CB . GLU A 1 42 ? 1.246 43.724 -2.298 1.00 109.10 ? 734 GLU A CB 1 \nATOM 268 C CG . GLU A 1 42 ? 1.023 42.356 -2.932 1.00 121.90 ? 734 GLU A CG 1 \nATOM 269 C CD . GLU A 1 42 ? 2.032 42.040 -4.022 1.00 137.46 ? 734 GLU A CD 1 \nATOM 270 O OE1 . GLU A 1 42 ? 2.181 42.851 -4.963 1.00 133.69 ? 734 GLU A OE1 1 \nATOM 271 O OE2 . GLU A 1 42 ? 2.677 40.973 -3.941 1.00 133.05 ? 734 GLU A OE2 1 \nATOM 272 N N . GLY A 1 43 ? -1.679 43.493 -1.356 1.00 77.00 ? 735 GLY A N 1 \nATOM 273 C CA . GLY A 1 43 ? -3.081 43.876 -1.524 1.00 102.31 ? 735 GLY A CA 1 \nATOM 274 C C . GLY A 1 43 ? -3.886 43.756 -0.246 1.00 94.49 ? 735 GLY A C 1 \nATOM 275 O O . GLY A 1 43 ? -4.924 44.398 -0.090 1.00 87.16 ? 735 GLY A O 1 \nATOM 276 N N . GLU A 1 44 ? -3.388 42.942 0.677 1.00 84.67 ? 736 GLU A N 1 \nATOM 277 C CA . GLU A 1 44 ? -4.127 42.579 1.880 1.00 78.16 ? 736 GLU A CA 1 \nATOM 278 C C . GLU A 1 44 ? -4.024 43.678 2.935 1.00 83.43 ? 736 GLU A C 1 \nATOM 279 O O . GLU A 1 44 ? -3.373 44.703 2.709 1.00 81.42 ? 736 GLU A O 1 \nATOM 280 C CB . GLU A 1 44 ? -3.615 41.237 2.397 1.00 81.23 ? 736 GLU A CB 1 \nATOM 281 C CG . GLU A 1 44 ? -3.274 40.281 1.260 1.00 77.57 ? 736 GLU A CG 1 \nATOM 282 C CD . GLU A 1 44 ? -2.886 38.898 1.726 1.00 87.99 ? 736 GLU A CD 1 \nATOM 283 O OE1 . GLU A 1 44 ? -1.955 38.315 1.129 1.00 79.62 ? 736 GLU A OE1 1 \nATOM 284 O OE2 . GLU A 1 44 ? -3.512 38.390 2.680 1.00 96.84 ? 736 GLU A OE2 1 \nATOM 285 N N . LYS A 1 45 ? -4.679 43.481 4.076 1.00 74.52 ? 737 LYS A N 1 \nATOM 286 C CA . LYS A 1 45 ? -4.699 44.519 5.107 1.00 87.38 ? 737 LYS A CA 1 \nATOM 287 C C . LYS A 1 45 ? -4.260 44.016 6.485 1.00 96.71 ? 737 LYS A C 1 \nATOM 288 O O . LYS A 1 45 ? -4.977 44.181 7.477 1.00 109.85 ? 737 LYS A O 1 \nATOM 289 C CB . LYS A 1 45 ? -6.077 45.199 5.170 1.00 102.72 ? 737 LYS A CB 1 \nATOM 290 C CG . LYS A 1 45 ? -6.406 46.051 3.949 1.00 109.69 ? 737 LYS A CG 1 \nATOM 291 C CD . LYS A 1 45 ? -7.648 46.936 4.172 1.00 118.48 ? 737 LYS A CD 1 \nATOM 292 C CE . LYS A 1 45 ? -7.282 48.276 4.851 1.00 123.12 ? 737 LYS A CE 1 \nATOM 293 N NZ . LYS A 1 45 ? -8.538 49.108 5.062 1.00 124.87 ? 737 LYS A NZ 1 \nATOM 294 N N . VAL A 1 46 ? -3.074 43.406 6.534 1.00 81.63 ? 738 VAL A N 1 \nATOM 295 C CA . VAL A 1 46 ? -2.501 42.891 7.786 1.00 70.23 ? 738 VAL A CA 1 \nATOM 296 C C . VAL A 1 46 ? -0.992 43.163 7.922 1.00 67.18 ? 738 VAL A C 1 \nATOM 297 O O . VAL A 1 46 ? -0.292 43.394 6.933 1.00 49.00 ? 738 VAL A O 1 \nATOM 298 C CB . VAL A 1 46 ? -2.770 41.373 7.985 1.00 75.03 ? 738 VAL A CB 1 \nATOM 299 C CG1 . VAL A 1 46 ? -4.250 41.103 8.236 1.00 86.92 ? 738 VAL A CG1 1 \nATOM 300 C CG2 . VAL A 1 46 ? -2.252 40.551 6.808 1.00 64.70 ? 738 VAL A CG2 1 \nATOM 301 N N . LYS A 1 47 ? -0.516 43.146 9.165 1.00 59.40 ? 739 LYS A N 1 \nATOM 302 C CA . LYS A 1 47 ? 0.904 43.256 9.475 1.00 60.90 ? 739 LYS A CA 1 \nATOM 303 C C . LYS A 1 47 ? 1.318 41.933 10.119 1.00 50.28 ? 739 LYS A C 1 \nATOM 304 O O . LYS A 1 47 ? 0.703 41.504 11.090 1.00 49.12 ? 739 LYS A O 1 \nATOM 305 C CB . LYS A 1 47 ? 1.147 44.419 10.443 1.00 54.97 ? 739 LYS A CB 1 \nATOM 306 C CG . LYS A 1 47 ? 0.870 45.811 9.886 1.00 67.55 ? 739 LYS A CG 1 \nATOM 307 C CD . LYS A 1 47 ? 0.807 46.815 11.029 1.00 68.22 ? 739 LYS A CD 1 \nATOM 308 C CE . LYS A 1 47 ? 0.849 48.258 10.555 1.00 69.70 ? 739 LYS A CE 1 \nATOM 309 N NZ . LYS A 1 47 ? 0.897 49.182 11.726 1.00 63.68 ? 739 LYS A NZ 1 \nATOM 310 N N . ILE A 1 48 ? 2.334 41.275 9.569 1.00 53.92 ? 740 ILE A N 1 \nATOM 311 C CA . ILE A 1 48 ? 2.775 39.976 10.098 1.00 43.42 ? 740 ILE A CA 1 \nATOM 312 C C . ILE A 1 48 ? 4.222 40.069 10.602 1.00 38.89 ? 740 ILE A C 1 \nATOM 313 O O . ILE A 1 48 ? 5.111 40.395 9.830 1.00 37.20 ? 740 ILE A O 1 \nATOM 314 C CB . ILE A 1 48 ? 2.637 38.847 9.043 1.00 47.72 ? 740 ILE A CB 1 \nATOM 315 C CG1 . ILE A 1 48 ? 1.192 38.754 8.531 1.00 44.69 ? 740 ILE A CG1 1 \nATOM 316 C CG2 . ILE A 1 48 ? 3.097 37.499 9.607 1.00 42.82 ? 740 ILE A CG2 1 \nATOM 317 C CD1 . ILE A 1 48 ? 1.076 38.138 7.152 1.00 46.45 ? 740 ILE A CD1 1 \nATOM 318 N N . PRO A 1 49 ? 4.452 39.781 11.897 1.00 40.77 ? 741 PRO A N 1 \nATOM 319 C CA . PRO A 1 49 ? 5.827 39.786 12.440 1.00 39.30 ? 741 PRO A CA 1 \nATOM 320 C C . PRO A 1 49 ? 6.717 38.738 11.759 1.00 38.75 ? 741 PRO A C 1 \nATOM 321 O O . PRO A 1 49 ? 6.362 37.551 11.684 1.00 38.50 ? 741 PRO A O 1 \nATOM 322 C CB . PRO A 1 49 ? 5.632 39.455 13.923 1.00 38.97 ? 741 PRO A CB 1 \nATOM 323 C CG . PRO A 1 49 ? 4.153 39.637 14.186 1.00 41.99 ? 741 PRO A CG 1 \nATOM 324 C CD . PRO A 1 49 ? 3.478 39.309 12.893 1.00 42.15 ? 741 PRO A CD 1 \nATOM 325 N N . VAL A 1 50 ? 7.853 39.202 11.251 1.00 38.86 ? 742 VAL A N 1 \nATOM 326 C CA . VAL A 1 50 ? 8.786 38.356 10.514 1.00 38.13 ? 742 VAL A CA 1 \nATOM 327 C C . VAL A 1 50 ? 10.231 38.581 11.005 1.00 34.95 ? 742 VAL A C 1 \nATOM 328 O O . VAL A 1 50 ? 10.561 39.632 11.583 1.00 34.01 ? 742 VAL A O 1 \nATOM 329 C CB . VAL A 1 50 ? 8.687 38.599 8.982 1.00 37.29 ? 742 VAL A CB 1 \nATOM 330 C CG1 . VAL A 1 50 ? 7.346 38.112 8.437 1.00 40.56 ? 742 VAL A CG1 1 \nATOM 331 C CG2 . VAL A 1 50 ? 8.931 40.075 8.615 1.00 37.85 ? 742 VAL A CG2 1 \nATOM 332 N N . ALA A 1 51 ? 11.064 37.564 10.815 1.00 30.95 ? 743 ALA A N 1 \nATOM 333 C CA . ALA A 1 51 ? 12.504 37.735 10.909 1.00 31.06 ? 743 ALA A CA 1 \nATOM 334 C C . ALA A 1 51 ? 12.971 37.867 9.468 1.00 29.26 ? 743 ALA A C 1 \nATOM 335 O O . ALA A 1 51 ? 12.443 37.205 8.545 1.00 29.67 ? 743 ALA A O 1 \nATOM 336 C CB . ALA A 1 51 ? 13.145 36.521 11.607 1.00 27.75 ? 743 ALA A CB 1 \nATOM 337 N N . ILE A 1 52 ? 13.960 38.729 9.257 1.00 29.82 ? 744 ILE A N 1 \nATOM 338 C CA . ILE A 1 52 ? 14.482 38.989 7.941 1.00 26.91 ? 744 ILE A CA 1 \nATOM 339 C C . ILE A 1 52 ? 15.996 38.776 7.997 1.00 32.94 ? 744 ILE A C 1 \nATOM 340 O O . ILE A 1 52 ? 16.659 39.439 8.787 1.00 31.67 ? 744 ILE A O 1 \nATOM 341 C CB . ILE A 1 52 ? 14.187 40.451 7.521 1.00 32.45 ? 744 ILE A CB 1 \nATOM 342 C CG1 . ILE A 1 52 ? 12.668 40.686 7.463 1.00 33.88 ? 744 ILE A CG1 1 \nATOM 343 C CG2 . ILE A 1 52 ? 14.811 40.752 6.170 1.00 33.17 ? 744 ILE A CG2 1 \nATOM 344 C CD1 . ILE A 1 52 ? 12.266 42.143 7.435 1.00 43.30 ? 744 ILE A CD1 1 \nATOM 345 N N . LYS A 1 53 ? 16.513 37.833 7.209 1.00 31.04 ? 745 LYS A N 1 \nATOM 346 C CA . LYS A 1 53 ? 17.973 37.573 7.139 1.00 31.99 ? 745 LYS A CA 1 \nATOM 347 C C . LYS A 1 53 ? 18.524 38.109 5.822 1.00 39.09 ? 745 LYS A C 1 \nATOM 348 O O . LYS A 1 53 ? 18.134 37.638 4.751 1.00 38.70 ? 745 LYS A O 1 \nATOM 349 C CB . LYS A 1 53 ? 18.294 36.063 7.319 1.00 28.72 ? 745 LYS A CB 1 \nATOM 350 C CG . LYS A 1 53 ? 19.802 35.726 7.423 1.00 31.87 ? 745 LYS A CG 1 \nATOM 351 C CD . LYS A 1 53 ? 20.007 34.389 8.138 1.00 31.76 ? 745 LYS A CD 1 \nATOM 352 C CE . LYS A 1 53 ? 21.491 34.095 8.338 1.00 35.24 ? 745 LYS A CE 1 \nATOM 353 N NZ . LYS A 1 53 ? 21.698 32.907 9.205 1.00 39.22 ? 745 LYS A NZ 1 \nATOM 354 N N . GLU A 1 54 ? 19.416 39.106 5.904 1.00 34.93 ? 746 GLU A N 1 \nATOM 355 C CA . GLU A 1 54 ? 20.142 39.638 4.746 1.00 33.61 ? 746 GLU A CA 1 \nATOM 356 C C . GLU A 1 54 ? 21.526 38.979 4.663 1.00 41.73 ? 746 GLU A C 1 \nATOM 357 O O . GLU A 1 54 ? 22.298 39.054 5.609 1.00 40.63 ? 746 GLU A O 1 \nATOM 358 C CB . GLU A 1 54 ? 20.301 41.152 4.901 1.00 38.35 ? 746 GLU A CB 1 \nATOM 359 C CG . GLU A 1 54 ? 20.665 41.861 3.615 1.00 43.31 ? 746 GLU A CG 1 \nATOM 360 C CD . GLU A 1 54 ? 20.339 43.344 3.649 1.00 56.57 ? 746 GLU A CD 1 \nATOM 361 O OE1 . GLU A 1 54 ? 20.746 44.024 4.616 1.00 60.73 ? 746 GLU A OE1 1 \nATOM 362 O OE2 . GLU A 1 54 ? 19.673 43.828 2.704 1.00 56.47 ? 746 GLU A OE2 1 \nATOM 363 N N . LEU A 1 55 ? 21.833 38.337 3.537 1.00 44.06 ? 747 LEU A N 1 \nATOM 364 C CA . LEU A 1 55 ? 23.024 37.488 3.450 1.00 49.19 ? 747 LEU A CA 1 \nATOM 365 C C . LEU A 1 55 ? 24.281 38.279 3.131 1.00 60.11 ? 747 LEU A C 1 \nATOM 366 O O . LEU A 1 55 ? 24.202 39.411 2.649 1.00 50.14 ? 747 LEU A O 1 \nATOM 367 C CB . LEU A 1 55 ? 22.837 36.348 2.436 1.00 42.55 ? 747 LEU A CB 1 \nATOM 368 C CG . LEU A 1 55 ? 21.603 35.433 2.522 1.00 47.94 ? 747 LEU A CG 1 \nATOM 369 C CD1 . LEU A 1 55 ? 21.721 34.261 1.547 1.00 56.88 ? 747 LEU A CD1 1 \nATOM 370 C CD2 . LEU A 1 55 ? 21.335 34.931 3.938 1.00 48.40 ? 747 LEU A CD2 1 \nATOM 371 N N . ARG A 1 56 ? 25.429 37.670 3.439 1.00 66.18 ? 748 ARG A N 1 \nATOM 372 C CA . ARG A 1 56 ? 26.741 38.168 3.020 1.00 88.68 ? 748 ARG A CA 1 \nATOM 373 C C . ARG A 1 56 ? 26.890 37.940 1.518 1.00 83.15 ? 748 ARG A C 1 \nATOM 374 O O . ARG A 1 56 ? 26.540 36.871 1.007 1.00 58.47 ? 748 ARG A O 1 \nATOM 375 C CB . ARG A 1 56 ? 27.867 37.432 3.760 1.00 95.20 ? 748 ARG A CB 1 \nATOM 376 C CG . ARG A 1 56 ? 27.684 37.308 5.267 1.00 111.81 ? 748 ARG A CG 1 \nATOM 377 C CD . ARG A 1 56 ? 28.485 38.345 6.036 1.00 116.77 ? 748 ARG A CD 1 \nATOM 378 N NE . ARG A 1 56 ? 28.166 38.317 7.463 1.00 121.49 ? 748 ARG A NE 1 \nATOM 379 C CZ . ARG A 1 56 ? 28.992 38.701 8.434 1.00 124.58 ? 748 ARG A CZ 1 \nATOM 380 N NH1 . ARG A 1 56 ? 28.598 38.637 9.698 1.00 118.79 ? 748 ARG A NH1 1 \nATOM 381 N NH2 . ARG A 1 56 ? 30.213 39.139 8.150 1.00 121.87 ? 748 ARG A NH2 1 \nATOM 382 N N . GLU A 1 57 ? 27.406 38.949 0.821 1.00 98.46 ? 749 GLU A N 1 \nATOM 383 C CA . GLU A 1 57 ? 27.601 38.891 -0.630 1.00 109.01 ? 749 GLU A CA 1 \nATOM 384 C C . GLU A 1 57 ? 28.856 38.102 -1.017 1.00 119.10 ? 749 GLU A C 1 \nATOM 385 O O . GLU A 1 57 ? 29.662 37.740 -0.156 1.00 127.74 ? 749 GLU A O 1 \nATOM 386 C CB . GLU A 1 57 ? 27.675 40.307 -1.207 1.00 107.94 ? 749 GLU A CB 1 \nATOM 387 C CG . GLU A 1 57 ? 26.412 41.134 -1.012 1.00 122.50 ? 749 GLU A CG 1 \nATOM 388 C CD . GLU A 1 57 ? 26.530 42.544 -1.567 1.00 131.75 ? 749 GLU A CD 1 \nATOM 389 O OE1 . GLU A 1 57 ? 27.541 42.855 -2.234 1.00 129.10 ? 749 GLU A OE1 1 \nATOM 390 O OE2 . GLU A 1 57 ? 25.601 43.347 -1.337 1.00 141.68 ? 749 GLU A OE2 1 \nATOM 391 N N . ALA A 1 58 ? 29.008 37.836 -2.315 1.00 115.00 ? 750 ALA A N 1 \nATOM 392 C CA . ALA A 1 58 ? 30.204 37.181 -2.856 1.00 118.99 ? 750 ALA A CA 1 \nATOM 393 C C . ALA A 1 58 ? 30.743 37.944 -4.068 1.00 126.64 ? 750 ALA A C 1 \nATOM 394 O O . ALA A 1 58 ? 30.009 38.716 -4.692 1.00 142.14 ? 750 ALA A O 1 \nATOM 395 C CB . ALA A 1 58 ? 29.900 35.736 -3.224 1.00 111.74 ? 750 ALA A CB 1 \nATOM 396 N N . THR A 1 59 ? 32.022 37.735 -4.391 1.00 123.82 ? 751 THR A N 1 \nATOM 397 C CA . THR A 1 59 ? 32.648 38.356 -5.569 1.00 124.40 ? 751 THR A CA 1 \nATOM 398 C C . THR A 1 59 ? 32.044 37.774 -6.848 1.00 124.78 ? 751 THR A C 1 \nATOM 399 O O . THR A 1 59 ? 31.735 38.509 -7.791 1.00 116.74 ? 751 THR A O 1 \nATOM 400 C CB . THR A 1 59 ? 34.185 38.166 -5.588 1.00 118.19 ? 751 THR A CB 1 \nATOM 401 O OG1 . THR A 1 59 ? 34.721 38.383 -4.277 1.00 103.31 ? 751 THR A OG1 1 \nATOM 402 C CG2 . THR A 1 59 ? 34.848 39.136 -6.573 1.00 100.42 ? 751 THR A CG2 1 \nATOM 403 N N . SER A 1 60 ? 31.885 36.451 -6.862 1.00 121.20 ? 752 SER A N 1 \nATOM 404 C CA . SER A 1 60 ? 31.194 35.752 -7.939 1.00 135.31 ? 752 SER A CA 1 \nATOM 405 C C . SER A 1 60 ? 29.938 35.072 -7.380 1.00 129.14 ? 752 SER A C 1 \nATOM 406 O O . SER A 1 60 ? 29.976 33.894 -7.008 1.00 125.03 ? 752 SER A O 1 \nATOM 407 C CB . SER A 1 60 ? 32.123 34.735 -8.613 1.00 131.46 ? 752 SER A CB 1 \nATOM 408 O OG . SER A 1 60 ? 31.457 34.039 -9.655 1.00 119.19 ? 752 SER A OG 1 \nATOM 409 N N . PRO A 1 61 ? 28.819 35.821 -7.308 1.00 118.58 ? 753 PRO A N 1 \nATOM 410 C CA . PRO A 1 61 ? 27.589 35.277 -6.740 1.00 106.64 ? 753 PRO A CA 1 \nATOM 411 C C . PRO A 1 61 ? 26.877 34.351 -7.720 1.00 97.42 ? 753 PRO A C 1 \nATOM 412 O O . PRO A 1 61 ? 27.150 34.390 -8.922 1.00 88.50 ? 753 PRO A O 1 \nATOM 413 C CB . PRO A 1 61 ? 26.730 36.526 -6.474 1.00 107.50 ? 753 PRO A CB 1 \nATOM 414 C CG . PRO A 1 61 ? 27.528 37.708 -6.938 1.00 107.49 ? 753 PRO A CG 1 \nATOM 415 C CD . PRO A 1 61 ? 28.618 37.187 -7.821 1.00 102.77 ? 753 PRO A CD 1 \nATOM 416 N N . LYS A 1 62 ? 25.976 33.523 -7.199 1.00 91.73 ? 754 LYS A N 1 \nATOM 417 C CA . LYS A 1 62 ? 25.143 32.653 -8.028 1.00 78.40 ? 754 LYS A CA 1 \nATOM 418 C C . LYS A 1 62 ? 24.059 33.471 -8.747 1.00 72.59 ? 754 LYS A C 1 \nATOM 419 O O . LYS A 1 62 ? 23.679 34.553 -8.283 1.00 71.52 ? 754 LYS A O 1 \nATOM 420 C CB . LYS A 1 62 ? 24.516 31.548 -7.171 1.00 66.50 ? 754 LYS A CB 1 \nATOM 421 C CG . LYS A 1 62 ? 25.522 30.572 -6.582 1.00 66.51 ? 754 LYS A CG 1 \nATOM 422 C CD . LYS A 1 62 ? 24.844 29.511 -5.730 1.00 67.17 ? 754 LYS A CD 1 \nATOM 423 C CE . LYS A 1 62 ? 25.850 28.490 -5.217 1.00 71.27 ? 754 LYS A CE 1 \nATOM 424 N NZ . LYS A 1 62 ? 25.199 27.456 -4.367 1.00 72.05 ? 754 LYS A NZ 1 \nATOM 425 N N . ALA A 1 63 ? 23.582 32.965 -9.885 1.00 67.58 ? 755 ALA A N 1 \nATOM 426 C CA . ALA A 1 63 ? 22.470 33.596 -10.607 1.00 64.10 ? 755 ALA A CA 1 \nATOM 427 C C . ALA A 1 63 ? 21.197 33.558 -9.757 1.00 59.06 ? 755 ALA A C 1 \nATOM 428 O O . ALA A 1 63 ? 21.026 32.662 -8.924 1.00 48.83 ? 755 ALA A O 1 \nATOM 429 C CB . ALA A 1 63 ? 22.241 32.908 -11.946 1.00 62.79 ? 755 ALA A CB 1 \nATOM 430 N N . ASN A 1 64 ? 20.311 34.532 -9.961 1.00 55.32 ? 756 ASN A N 1 \nATOM 431 C CA . ASN A 1 64 ? 19.058 34.580 -9.210 1.00 57.65 ? 756 ASN A CA 1 \nATOM 432 C C . ASN A 1 64 ? 18.246 33.282 -9.306 1.00 49.83 ? 756 ASN A C 1 \nATOM 433 O O . ASN A 1 64 ? 17.713 32.811 -8.305 1.00 52.47 ? 756 ASN A O 1 \nATOM 434 C CB . ASN A 1 64 ? 18.214 35.782 -9.636 1.00 61.10 ? 756 ASN A CB 1 \nATOM 435 C CG . ASN A 1 64 ? 18.737 37.095 -9.070 1.00 65.60 ? 756 ASN A CG 1 \nATOM 436 O OD1 . ASN A 1 64 ? 18.241 38.166 -9.417 1.00 66.39 ? 756 ASN A OD1 1 \nATOM 437 N ND2 . ASN A 1 64 ? 19.733 37.018 -8.188 1.00 62.03 ? 756 ASN A ND2 1 \nATOM 438 N N . LYS A 1 65 ? 18.188 32.693 -10.499 1.00 48.32 ? 757 LYS A N 1 \nATOM 439 C CA . LYS A 1 65 ? 17.363 31.496 -10.707 1.00 53.97 ? 757 LYS A CA 1 \nATOM 440 C C . LYS A 1 65 ? 17.885 30.303 -9.916 1.00 52.23 ? 757 LYS A C 1 \nATOM 441 O O . LYS A 1 65 ? 17.101 29.474 -9.457 1.00 38.94 ? 757 LYS A O 1 \nATOM 442 C CB . LYS A 1 65 ? 17.178 31.163 -12.198 1.00 57.10 ? 757 LYS A CB 1 \nATOM 443 C CG . LYS A 1 65 ? 18.445 30.784 -12.949 1.00 62.89 ? 757 LYS A CG 1 \nATOM 444 C CD . LYS A 1 65 ? 18.134 30.400 -14.385 1.00 67.24 ? 757 LYS A CD 1 \nATOM 445 C CE . LYS A 1 65 ? 19.369 29.866 -15.088 1.00 78.98 ? 757 LYS A CE 1 \nATOM 446 N NZ . LYS A 1 65 ? 19.072 29.478 -16.495 1.00 98.58 ? 757 LYS A NZ 1 \nATOM 447 N N . GLU A 1 66 ? 19.205 30.237 -9.731 1.00 41.71 ? 758 GLU A N 1 \nATOM 448 C CA . GLU A 1 66 ? 19.816 29.184 -8.921 1.00 45.36 ? 758 GLU A CA 1 \nATOM 449 C C . GLU A 1 66 ? 19.512 29.391 -7.426 1.00 45.14 ? 758 GLU A C 1 \nATOM 450 O O . GLU A 1 66 ? 19.180 28.437 -6.706 1.00 43.16 ? 758 GLU A O 1 \nATOM 451 C CB . GLU A 1 66 ? 21.327 29.142 -9.166 1.00 56.18 ? 758 GLU A CB 1 \nATOM 452 C CG . GLU A 1 66 ? 22.010 27.873 -8.669 1.00 74.96 ? 758 GLU A CG 1 \nATOM 453 C CD . GLU A 1 66 ? 23.509 27.857 -8.933 1.00 89.13 ? 758 GLU A CD 1 \nATOM 454 O OE1 . GLU A 1 66 ? 24.235 27.159 -8.193 1.00 109.33 ? 758 GLU A OE1 1 \nATOM 455 O OE2 . GLU A 1 66 ? 23.968 28.536 -9.878 1.00 81.56 ? 758 GLU A OE2 1 \nATOM 456 N N . ILE A 1 67 ? 19.643 30.638 -6.971 1.00 38.74 ? 759 ILE A N 1 \nATOM 457 C CA . ILE A 1 67 ? 19.234 31.052 -5.622 1.00 40.45 ? 759 ILE A CA 1 \nATOM 458 C C . ILE A 1 67 ? 17.742 30.767 -5.383 1.00 37.42 ? 759 ILE A C 1 \nATOM 459 O O . ILE A 1 67 ? 17.347 30.206 -4.353 1.00 36.66 ? 759 ILE A O 1 \nATOM 460 C CB . ILE A 1 67 ? 19.533 32.554 -5.393 1.00 43.35 ? 759 ILE A CB 1 \nATOM 461 C CG1 . ILE A 1 67 ? 21.053 32.762 -5.243 1.00 47.56 ? 759 ILE A CG1 1 \nATOM 462 C CG2 . ILE A 1 67 ? 18.767 33.078 -4.186 1.00 43.77 ? 759 ILE A CG2 1 \nATOM 463 C CD1 . ILE A 1 67 ? 21.516 34.207 -5.124 1.00 44.09 ? 759 ILE A CD1 1 \nATOM 464 N N . LEU A 1 68 ? 16.923 31.151 -6.340 1.00 32.59 ? 760 LEU A N 1 \nATOM 465 C CA . LEU A 1 68 ? 15.477 30.871 -6.229 1.00 44.54 ? 760 LEU A CA 1 \nATOM 466 C C . LEU A 1 68 ? 15.206 29.372 -6.123 1.00 43.78 ? 760 LEU A C 1 \nATOM 467 O O . LEU A 1 68 ? 14.351 28.949 -5.341 1.00 38.07 ? 760 LEU A O 1 \nATOM 468 C CB . LEU A 1 68 ? 14.701 31.506 -7.382 1.00 37.58 ? 760 LEU A CB 1 \nATOM 469 C CG . LEU A 1 68 ? 14.663 33.030 -7.272 1.00 40.85 ? 760 LEU A CG 1 \nATOM 470 C CD1 . LEU A 1 68 ? 14.118 33.694 -8.532 1.00 47.14 ? 760 LEU A CD1 1 \nATOM 471 C CD2 . LEU A 1 68 ? 13.882 33.459 -6.040 1.00 39.46 ? 760 LEU A CD2 1 \nATOM 472 N N . ASP A 1 69 ? 15.966 28.576 -6.874 1.00 37.26 ? 761 ASP A N 1 \nATOM 473 C CA . ASP A 1 69 ? 15.788 27.126 -6.889 1.00 39.19 ? 761 ASP A CA 1 \nATOM 474 C C . ASP A 1 69 ? 16.110 26.500 -5.525 1.00 46.00 ? 761 ASP A C 1 \nATOM 475 O O . ASP A 1 69 ? 15.381 25.626 -5.051 1.00 41.12 ? 761 ASP A O 1 \nATOM 476 C CB . ASP A 1 69 ? 16.625 26.501 -8.020 1.00 44.22 ? 761 ASP A CB 1 \nATOM 477 C CG . ASP A 1 69 ? 16.461 24.979 -8.126 1.00 58.33 ? 761 ASP A CG 1 \nATOM 478 O OD1 . ASP A 1 69 ? 17.492 24.284 -8.152 1.00 49.31 ? 761 ASP A OD1 1 \nATOM 479 O OD2 . ASP A 1 69 ? 15.316 24.470 -8.200 1.00 47.84 ? 761 ASP A OD2 1 \nATOM 480 N N . GLU A 1 70 ? 17.191 26.954 -4.888 1.00 36.07 ? 762 GLU A N 1 \nATOM 481 C CA . GLU A 1 70 ? 17.560 26.438 -3.576 1.00 34.81 ? 762 GLU A CA 1 \nATOM 482 C C . GLU A 1 70 ? 16.600 26.948 -2.508 1.00 32.41 ? 762 GLU A C 1 \nATOM 483 O O . GLU A 1 70 ? 16.215 26.209 -1.596 1.00 36.70 ? 762 GLU A O 1 \nATOM 484 C CB . GLU A 1 70 ? 19.029 26.775 -3.256 1.00 39.98 ? 762 GLU A CB 1 \nATOM 485 C CG . GLU A 1 70 ? 19.960 26.152 -4.283 1.00 46.30 ? 762 GLU A CG 1 \nATOM 486 C CD . GLU A 1 70 ? 21.394 25.995 -3.807 1.00 67.31 ? 762 GLU A CD 1 \nATOM 487 O OE1 . GLU A 1 70 ? 22.255 25.711 -4.666 1.00 61.02 ? 762 GLU A OE1 1 \nATOM 488 O OE2 . GLU A 1 70 ? 21.667 26.144 -2.592 1.00 60.07 ? 762 GLU A OE2 1 \nATOM 489 N N . ALA A 1 71 ? 16.161 28.196 -2.654 1.00 31.03 ? 763 ALA A N 1 \nATOM 490 C CA . ALA A 1 71 ? 15.258 28.767 -1.667 1.00 30.15 ? 763 ALA A CA 1 \nATOM 491 C C . ALA A 1 71 ? 13.909 28.042 -1.718 1.00 31.96 ? 763 ALA A C 1 \nATOM 492 O O . ALA A 1 71 ? 13.237 27.930 -0.700 1.00 32.14 ? 763 ALA A O 1 \nATOM 493 C CB . ALA A 1 71 ? 15.065 30.253 -1.887 1.00 31.59 ? 763 ALA A CB 1 \nATOM 494 N N . TYR A 1 72 ? 13.541 27.551 -2.895 1.00 28.99 ? 764 TYR A N 1 \nATOM 495 C CA . TYR A 1 72 ? 12.229 26.863 -3.044 1.00 29.83 ? 764 TYR A CA 1 \nATOM 496 C C . TYR A 1 72 ? 12.189 25.668 -2.112 1.00 28.72 ? 764 TYR A C 1 \nATOM 497 O O . TYR A 1 72 ? 11.184 25.426 -1.469 1.00 29.34 ? 764 TYR A O 1 \nATOM 498 C CB . TYR A 1 72 ? 11.968 26.408 -4.481 1.00 30.91 ? 764 TYR A CB 1 \nATOM 499 C CG . TYR A 1 72 ? 10.617 25.705 -4.651 1.00 30.27 ? 764 TYR A CG 1 \nATOM 500 C CD1 . TYR A 1 72 ? 10.525 24.314 -4.685 1.00 29.95 ? 764 TYR A CD1 1 \nATOM 501 C CD2 . TYR A 1 72 ? 9.448 26.447 -4.774 1.00 31.11 ? 764 TYR A CD2 1 \nATOM 502 C CE1 . TYR A 1 72 ? 9.299 23.683 -4.830 1.00 36.51 ? 764 TYR A CE1 1 \nATOM 503 C CE2 . TYR A 1 72 ? 8.212 25.822 -4.915 1.00 34.02 ? 764 TYR A CE2 1 \nATOM 504 C CZ . TYR A 1 72 ? 8.153 24.440 -4.943 1.00 31.33 ? 764 TYR A CZ 1 \nATOM 505 O OH . TYR A 1 72 ? 6.926 23.819 -5.090 1.00 36.39 ? 764 TYR A OH 1 \nATOM 506 N N . VAL A 1 73 ? 13.308 24.953 -1.983 1.00 30.36 ? 765 VAL A N 1 \nATOM 507 C CA . VAL A 1 73 ? 13.338 23.790 -1.106 1.00 30.00 ? 765 VAL A CA 1 \nATOM 508 C C . VAL A 1 73 ? 13.144 24.241 0.339 1.00 28.48 ? 765 VAL A C 1 \nATOM 509 O O . VAL A 1 73 ? 12.510 23.540 1.135 1.00 28.46 ? 765 VAL A O 1 \nATOM 510 C CB . VAL A 1 73 ? 14.661 22.982 -1.249 1.00 34.35 ? 765 VAL A CB 1 \nATOM 511 C CG1 . VAL A 1 73 ? 14.648 21.743 -0.361 1.00 37.76 ? 765 VAL A CG1 1 \nATOM 512 C CG2 . VAL A 1 73 ? 14.898 22.599 -2.708 1.00 39.05 ? 765 VAL A CG2 1 \nATOM 513 N N . MET A 1 74 ? 13.685 25.407 0.687 1.00 26.60 ? 766 MET A N 1 \nATOM 514 C CA . MET A 1 74 ? 13.558 25.938 2.055 1.00 27.20 ? 766 MET A CA 1 \nATOM 515 C C . MET A 1 74 ? 12.106 26.365 2.345 1.00 32.09 ? 766 MET A C 1 \nATOM 516 O O . MET A 1 74 ? 11.637 26.292 3.487 1.00 34.54 ? 766 MET A O 1 \nATOM 517 C CB . MET A 1 74 ? 14.561 27.094 2.308 1.00 31.52 ? 766 MET A CB 1 \nATOM 518 C CG . MET A 1 74 ? 16.040 26.737 2.138 1.00 36.39 ? 766 MET A CG 1 \nATOM 519 S SD . MET A 1 74 ? 16.954 28.289 1.995 1.00 35.31 ? 766 MET A SD 1 \nATOM 520 C CE . MET A 1 74 ? 18.693 27.772 1.971 1.00 29.41 ? 766 MET A CE 1 \nATOM 521 N N . ALA A 1 75 ? 11.388 26.768 1.304 1.00 25.55 ? 767 ALA A N 1 \nATOM 522 C CA . ALA A 1 75 ? 9.955 27.147 1.461 1.00 28.35 ? 767 ALA A CA 1 \nATOM 523 C C . ALA A 1 75 ? 8.996 25.957 1.419 1.00 30.50 ? 767 ALA A C 1 \nATOM 524 O O . ALA A 1 75 ? 7.810 26.051 1.829 1.00 35.24 ? 767 ALA A O 1 \nATOM 525 C CB . ALA A 1 75 ? 9.587 28.141 0.385 1.00 27.82 ? 767 ALA A CB 1 \nATOM 526 N N . SER A 1 76 ? 9.486 24.841 0.921 1.00 33.39 ? 768 SER A N 1 \nATOM 527 C CA . SER A 1 76 ? 8.674 23.650 0.666 1.00 36.62 ? 768 SER A CA 1 \nATOM 528 C C . SER A 1 76 ? 8.537 22.757 1.916 1.00 35.31 ? 768 SER A C 1 \nATOM 529 O O . SER A 1 76 ? 7.706 21.837 1.944 1.00 41.31 ? 768 SER A O 1 \nATOM 530 C CB . SER A 1 76 ? 9.315 22.842 -0.478 1.00 30.34 ? 768 SER A CB 1 \nATOM 531 O OG . SER A 1 76 ? 10.337 22.007 0.056 1.00 43.37 ? 768 SER A OG 1 \nATOM 532 N N . VAL A 1 77 ? 9.337 23.017 2.949 1.00 29.89 ? 769 VAL A N 1 \nATOM 533 C CA . VAL A 1 77 ? 9.346 22.117 4.112 1.00 31.80 ? 769 VAL A CA 1 \nATOM 534 C C . VAL A 1 77 ? 8.076 22.226 4.967 1.00 35.73 ? 769 VAL A C 1 \nATOM 535 O O . VAL A 1 77 ? 7.587 23.322 5.240 1.00 40.87 ? 769 VAL A O 1 \nATOM 536 C CB . VAL A 1 77 ? 10.608 22.267 4.970 1.00 36.09 ? 769 VAL A CB 1 \nATOM 537 C CG1 . VAL A 1 77 ? 11.840 21.931 4.144 1.00 34.12 ? 769 VAL A CG1 1 \nATOM 538 C CG2 . VAL A 1 77 ? 10.721 23.677 5.517 1.00 42.89 ? 769 VAL A CG2 1 \nATOM 539 N N . ASP A 1 78 ? 7.546 21.080 5.369 1.00 31.99 ? 770 ASP A N 1 \nATOM 540 C CA . ASP A 1 78 ? 6.279 21.036 6.088 1.00 39.53 ? 770 ASP A CA 1 \nATOM 541 C C . ASP A 1 78 ? 6.391 20.001 7.188 1.00 32.29 ? 770 ASP A C 1 \nATOM 542 O O . ASP A 1 78 ? 6.093 18.820 6.974 1.00 33.73 ? 770 ASP A O 1 \nATOM 543 C CB . ASP A 1 78 ? 5.126 20.706 5.120 1.00 36.58 ? 770 ASP A CB 1 \nATOM 544 C CG . ASP A 1 78 ? 3.755 20.745 5.793 1.00 41.55 ? 770 ASP A CG 1 \nATOM 545 O OD1 . ASP A 1 78 ? 3.591 21.464 6.803 1.00 41.43 ? 770 ASP A OD1 1 \nATOM 546 O OD2 . ASP A 1 78 ? 2.839 20.055 5.297 1.00 61.49 ? 770 ASP A OD2 1 \nATOM 547 N N . ASN A 1 79 ? 6.841 20.458 8.358 1.00 27.92 ? 771 ASN A N 1 \nATOM 548 C CA . ASN A 1 79 ? 7.056 19.600 9.515 1.00 28.79 ? 771 ASN A CA 1 \nATOM 549 C C . ASN A 1 79 ? 7.004 20.473 10.767 1.00 28.51 ? 771 ASN A C 1 \nATOM 550 O O . ASN A 1 79 ? 7.492 21.615 10.753 1.00 32.33 ? 771 ASN A O 1 \nATOM 551 C CB . ASN A 1 79 ? 8.427 18.877 9.404 1.00 31.63 ? 771 ASN A CB 1 \nATOM 552 C CG . ASN A 1 79 ? 8.711 17.968 10.593 1.00 32.66 ? 771 ASN A CG 1 \nATOM 553 O OD1 . ASN A 1 79 ? 9.198 18.412 11.634 1.00 32.35 ? 771 ASN A OD1 1 \nATOM 554 N ND2 . ASN A 1 79 ? 8.412 16.685 10.439 1.00 31.99 ? 771 ASN A ND2 1 \nATOM 555 N N . PRO A 1 80 ? 6.419 19.947 11.868 1.00 36.96 ? 772 PRO A N 1 \nATOM 556 C CA . PRO A 1 80 ? 6.237 20.746 13.090 1.00 37.28 ? 772 PRO A CA 1 \nATOM 557 C C . PRO A 1 80 ? 7.540 21.226 13.729 1.00 33.19 ? 772 PRO A C 1 \nATOM 558 O O . PRO A 1 80 ? 7.524 22.216 14.470 1.00 30.61 ? 772 PRO A O 1 \nATOM 559 C CB . PRO A 1 80 ? 5.540 19.773 14.045 1.00 44.95 ? 772 PRO A CB 1 \nATOM 560 C CG . PRO A 1 80 ? 4.862 18.792 13.164 1.00 49.09 ? 772 PRO A CG 1 \nATOM 561 C CD . PRO A 1 80 ? 5.749 18.635 11.972 1.00 36.80 ? 772 PRO A CD 1 \nATOM 562 N N . HIS A 1 81 ? 8.647 20.524 13.463 1.00 32.01 ? 773 HIS A N 1 \nATOM 563 C CA . HIS A 1 81 ? 9.923 20.890 14.095 1.00 32.30 ? 773 HIS A CA 1 \nATOM 564 C C . HIS A 1 81 ? 10.938 21.522 13.140 1.00 29.91 ? 773 HIS A C 1 \nATOM 565 O O . HIS A 1 81 ? 12.141 21.581 13.433 1.00 31.48 ? 773 HIS A O 1 \nATOM 566 C CB . HIS A 1 81 ? 10.501 19.683 14.866 1.00 30.06 ? 773 HIS A CB 1 \nATOM 567 C CG . HIS A 1 81 ? 9.481 19.002 15.740 1.00 38.50 ? 773 HIS A CG 1 \nATOM 568 N ND1 . HIS A 1 81 ? 8.923 19.607 16.850 1.00 35.97 ? 773 HIS A ND1 1 \nATOM 569 C CD2 . HIS A 1 81 ? 8.862 17.803 15.617 1.00 43.44 ? 773 HIS A CD2 1 \nATOM 570 C CE1 . HIS A 1 81 ? 8.045 18.787 17.401 1.00 35.79 ? 773 HIS A CE1 1 \nATOM 571 N NE2 . HIS A 1 81 ? 7.979 17.690 16.666 1.00 33.01 ? 773 HIS A NE2 1 \nATOM 572 N N . VAL A 1 82 ? 10.444 22.029 12.011 1.00 32.42 ? 774 VAL A N 1 \nATOM 573 C CA . VAL A 1 82 ? 11.292 22.713 11.029 1.00 31.78 ? 774 VAL A CA 1 \nATOM 574 C C . VAL A 1 82 ? 10.590 24.023 10.638 1.00 31.70 ? 774 VAL A C 1 \nATOM 575 O O . VAL A 1 82 ? 9.410 24.021 10.272 1.00 33.83 ? 774 VAL A O 1 \nATOM 576 C CB . VAL A 1 82 ? 11.562 21.858 9.757 1.00 37.83 ? 774 VAL A CB 1 \nATOM 577 C CG1 . VAL A 1 82 ? 12.584 22.547 8.868 1.00 28.77 ? 774 VAL A CG1 1 \nATOM 578 C CG2 . VAL A 1 82 ? 12.050 20.442 10.095 1.00 34.53 ? 774 VAL A CG2 1 \nATOM 579 N N . CYS A 1 83 ? 11.299 25.132 10.784 1.00 31.06 ? 775 CYS A N 1 \nATOM 580 C CA . CYS A 1 83 ? 10.867 26.411 10.246 1.00 32.97 ? 775 CYS A CA 1 \nATOM 581 C C . CYS A 1 83 ? 10.813 26.400 8.725 1.00 31.14 ? 775 CYS A C 1 \nATOM 582 O O . CYS A 1 83 ? 11.570 25.660 8.057 1.00 35.80 ? 775 CYS A O 1 \nATOM 583 C CB . CYS A 1 83 ? 11.836 27.504 10.707 1.00 29.32 ? 775 CYS A CB 1 \nATOM 584 S SG . CYS A 1 83 ? 11.781 27.780 12.482 1.00 36.31 ? 775 CYS A SG 1 \nATOM 585 N N . ARG A 1 84 ? 9.959 27.240 8.152 1.00 27.88 ? 776 ARG A N 1 \nATOM 586 C CA . ARG A 1 84 ? 9.926 27.322 6.704 1.00 26.20 ? 776 ARG A CA 1 \nATOM 587 C C . ARG A 1 84 ? 10.059 28.744 6.212 1.00 25.09 ? 776 ARG A C 1 \nATOM 588 O O . ARG A 1 84 ? 9.700 29.688 6.895 1.00 28.55 ? 776 ARG A O 1 \nATOM 589 C CB . ARG A 1 84 ? 8.682 26.632 6.126 1.00 36.86 ? 776 ARG A CB 1 \nATOM 590 C CG . ARG A 1 84 ? 7.473 27.513 6.073 1.00 39.62 ? 776 ARG A CG 1 \nATOM 591 C CD . ARG A 1 84 ? 6.435 26.936 5.109 1.00 54.28 ? 776 ARG A CD 1 \nATOM 592 N NE . ARG A 1 84 ? 5.496 27.982 4.720 1.00 51.59 ? 776 ARG A NE 1 \nATOM 593 C CZ . ARG A 1 84 ? 5.521 28.662 3.573 1.00 56.49 ? 776 ARG A CZ 1 \nATOM 594 N NH1 . ARG A 1 84 ? 6.423 28.405 2.636 1.00 45.85 ? 776 ARG A NH1 1 \nATOM 595 N NH2 . ARG A 1 84 ? 4.607 29.596 3.351 1.00 62.64 ? 776 ARG A NH2 1 \nATOM 596 N N . LEU A 1 85 ? 10.660 28.874 5.042 1.00 32.82 ? 777 LEU A N 1 \nATOM 597 C CA . LEU A 1 85 ? 10.839 30.155 4.397 1.00 39.54 ? 777 LEU A CA 1 \nATOM 598 C C . LEU A 1 85 ? 9.481 30.608 3.865 1.00 41.12 ? 777 LEU A C 1 \nATOM 599 O O . LEU A 1 85 ? 8.752 29.829 3.249 1.00 36.46 ? 777 LEU A O 1 \nATOM 600 C CB . LEU A 1 85 ? 11.873 30.008 3.284 1.00 37.75 ? 777 LEU A CB 1 \nATOM 601 C CG . LEU A 1 85 ? 12.599 31.245 2.783 1.00 41.91 ? 777 LEU A CG 1 \nATOM 602 C CD1 . LEU A 1 85 ? 13.269 31.938 3.962 1.00 35.23 ? 777 LEU A CD1 1 \nATOM 603 C CD2 . LEU A 1 85 ? 13.619 30.839 1.737 1.00 39.23 ? 777 LEU A CD2 1 \nATOM 604 N N . LEU A 1 86 ? 9.106 31.841 4.179 1.00 35.56 ? 778 LEU A N 1 \nATOM 605 C CA . LEU A 1 86 ? 7.850 32.407 3.671 1.00 37.08 ? 778 LEU A CA 1 \nATOM 606 C C . LEU A 1 86 ? 8.067 33.176 2.372 1.00 39.75 ? 778 LEU A C 1 \nATOM 607 O O . LEU A 1 86 ? 7.184 33.229 1.510 1.00 45.05 ? 778 LEU A O 1 \nATOM 608 C CB . LEU A 1 86 ? 7.251 33.354 4.706 1.00 33.02 ? 778 LEU A CB 1 \nATOM 609 C CG . LEU A 1 86 ? 6.736 32.791 6.028 1.00 43.06 ? 778 LEU A CG 1 \nATOM 610 C CD1 . LEU A 1 86 ? 6.379 33.930 6.967 1.00 41.81 ? 778 LEU A CD1 1 \nATOM 611 C CD2 . LEU A 1 86 ? 5.533 31.872 5.829 1.00 55.69 ? 778 LEU A CD2 1 \nATOM 612 N N . GLY A 1 87 ? 9.235 33.799 2.246 1.00 38.68 ? 779 GLY A N 1 \nATOM 613 C CA . GLY A 1 87 ? 9.483 34.706 1.147 1.00 38.09 ? 779 GLY A CA 1 \nATOM 614 C C . GLY A 1 87 ? 10.944 35.031 0.929 1.00 34.62 ? 779 GLY A C 1 \nATOM 615 O O . GLY A 1 87 ? 11.816 34.682 1.729 1.00 34.55 ? 779 GLY A O 1 \nATOM 616 N N . ILE A 1 88 ? 11.206 35.696 -0.181 1.00 36.47 ? 780 ILE A N 1 \nATOM 617 C CA . ILE A 1 88 ? 12.549 36.078 -0.537 1.00 32.86 ? 780 ILE A CA 1 \nATOM 618 C C . ILE A 1 88 ? 12.467 37.364 -1.342 1.00 37.56 ? 780 ILE A C 1 \nATOM 619 O O . ILE A 1 88 ? 11.461 37.641 -2.019 1.00 35.89 ? 780 ILE A O 1 \nATOM 620 C CB . ILE A 1 88 ? 13.271 34.933 -1.305 1.00 36.74 ? 780 ILE A CB 1 \nATOM 621 C CG1 . ILE A 1 88 ? 14.757 35.226 -1.508 1.00 37.01 ? 780 ILE A CG1 1 \nATOM 622 C CG2 . ILE A 1 88 ? 12.566 34.586 -2.612 1.00 39.84 ? 780 ILE A CG2 1 \nATOM 623 C CD1 . ILE A 1 88 ? 15.542 34.015 -1.981 1.00 41.12 ? 780 ILE A CD1 1 \nATOM 624 N N . CYS A 1 89 ? 13.504 38.179 -1.218 1.00 34.22 ? 781 CYS A N 1 \nATOM 625 C CA . CYS A 1 89 ? 13.584 39.409 -1.968 1.00 39.58 ? 781 CYS A CA 1 \nATOM 626 C C . CYS A 1 89 ? 15.008 39.513 -2.476 1.00 42.52 ? 781 CYS A C 1 \nATOM 627 O O . CYS A 1 89 ? 15.968 39.597 -1.696 1.00 42.31 ? 781 CYS A O 1 \nATOM 628 C CB . CYS A 1 89 ? 13.209 40.593 -1.091 1.00 42.05 ? 781 CYS A CB 1 \nATOM 629 S SG . CYS A 1 89 ? 13.340 42.208 -1.900 1.00 52.46 ? 781 CYS A SG 1 \nATOM 630 N N . LEU A 1 90 ? 15.137 39.460 -3.794 1.00 40.33 ? 782 LEU A N 1 \nATOM 631 C CA . LEU A 1 90 ? 16.427 39.615 -4.427 1.00 52.46 ? 782 LEU A CA 1 \nATOM 632 C C . LEU A 1 90 ? 16.577 41.062 -4.912 1.00 57.91 ? 782 LEU A C 1 \nATOM 633 O O . LEU A 1 90 ? 15.686 41.607 -5.575 1.00 53.42 ? 782 LEU A O 1 \nATOM 634 C CB . LEU A 1 90 ? 16.593 38.602 -5.561 1.00 46.81 ? 782 LEU A CB 1 \nATOM 635 C CG . LEU A 1 90 ? 16.440 37.118 -5.193 1.00 50.02 ? 782 LEU A CG 1 \nATOM 636 C CD1 . LEU A 1 90 ? 16.409 36.255 -6.440 1.00 58.30 ? 782 LEU A CD1 1 \nATOM 637 C CD2 . LEU A 1 90 ? 17.535 36.643 -4.245 1.00 47.01 ? 782 LEU A CD2 1 \nATOM 638 N N . THR A 1 91 ? 17.681 41.688 -4.513 1.00 57.02 ? 783 THR A N 1 \nATOM 639 C CA . THR A 1 91 ? 18.058 43.033 -4.953 1.00 57.87 ? 783 THR A CA 1 \nATOM 640 C C . THR A 1 91 ? 19.559 42.976 -5.243 1.00 56.07 ? 783 THR A C 1 \nATOM 641 O O . THR A 1 91 ? 20.020 42.064 -5.932 1.00 68.18 ? 783 THR A O 1 \nATOM 642 C CB . THR A 1 91 ? 17.787 44.109 -3.877 1.00 57.17 ? 783 THR A CB 1 \nATOM 643 O OG1 . THR A 1 91 ? 18.534 43.803 -2.690 1.00 63.32 ? 783 THR A OG1 1 \nATOM 644 C CG2 . THR A 1 91 ? 16.297 44.223 -3.544 1.00 60.21 ? 783 THR A CG2 1 \nATOM 645 N N . SER A 1 92 ? 20.317 43.931 -4.705 1.00 61.57 ? 784 SER A N 1 \nATOM 646 C CA . SER A 1 92 ? 21.778 43.830 -4.658 1.00 62.64 ? 784 SER A CA 1 \nATOM 647 C C . SER A 1 92 ? 22.205 42.824 -3.584 1.00 66.71 ? 784 SER A C 1 \nATOM 648 O O . SER A 1 92 ? 23.330 42.310 -3.611 1.00 73.57 ? 784 SER A O 1 \nATOM 649 C CB . SER A 1 92 ? 22.413 45.198 -4.391 1.00 65.94 ? 784 SER A CB 1 \nATOM 650 O OG . SER A 1 92 ? 21.881 45.793 -3.219 1.00 77.36 ? 784 SER A OG 1 \nATOM 651 N N . THR A 1 93 ? 21.296 42.553 -2.644 1.00 56.80 ? 785 THR A N 1 \nATOM 652 C CA . THR A 1 93 ? 21.494 41.540 -1.602 1.00 50.80 ? 785 THR A CA 1 \nATOM 653 C C . THR A 1 93 ? 20.393 40.478 -1.669 1.00 48.30 ? 785 THR A C 1 \nATOM 654 O O . THR A 1 93 ? 19.331 40.704 -2.264 1.00 47.91 ? 785 THR A O 1 \nATOM 655 C CB . THR A 1 93 ? 21.428 42.150 -0.184 1.00 51.80 ? 785 THR A CB 1 \nATOM 656 O OG1 . THR A 1 93 ? 20.089 42.598 0.080 1.00 49.48 ? 785 THR A OG1 1 \nATOM 657 C CG2 . THR A 1 93 ? 22.410 43.311 -0.027 1.00 59.94 ? 785 THR A CG2 1 \nATOM 658 N N . VAL A 1 94 ? 20.645 39.332 -1.039 1.00 46.00 ? 786 VAL A N 1 \nATOM 659 C CA . VAL A 1 94 ? 19.597 38.329 -0.826 1.00 38.67 ? 786 VAL A CA 1 \nATOM 660 C C . VAL A 1 94 ? 18.979 38.517 0.553 1.00 36.32 ? 786 VAL A C 1 \nATOM 661 O O . VAL A 1 94 ? 19.693 38.530 1.546 1.00 39.63 ? 786 VAL A O 1 \nATOM 662 C CB . VAL A 1 94 ? 20.142 36.898 -0.953 1.00 38.01 ? 786 VAL A CB 1 \nATOM 663 C CG1 . VAL A 1 94 ? 19.031 35.871 -0.729 1.00 48.90 ? 786 VAL A CG1 1 \nATOM 664 C CG2 . VAL A 1 94 ? 20.782 36.700 -2.320 1.00 48.03 ? 786 VAL A CG2 1 \nATOM 665 N N . GLN A 1 95 ? 17.653 38.626 0.610 1.00 36.69 ? 787 GLN A N 1 \nATOM 666 C CA . GLN A 1 95 ? 16.944 38.695 1.883 1.00 35.65 ? 787 GLN A CA 1 \nATOM 667 C C . GLN A 1 95 ? 15.909 37.581 2.032 1.00 39.78 ? 787 GLN A C 1 \nATOM 668 O O . GLN A 1 95 ? 15.052 37.404 1.156 1.00 35.85 ? 787 GLN A O 1 \nATOM 669 C CB . GLN A 1 95 ? 16.259 40.049 2.058 1.00 38.83 ? 787 GLN A CB 1 \nATOM 670 C CG . GLN A 1 95 ? 17.235 41.187 2.339 1.00 38.72 ? 787 GLN A CG 1 \nATOM 671 C CD . GLN A 1 95 ? 16.536 42.518 2.516 1.00 42.16 ? 787 GLN A CD 1 \nATOM 672 O OE1 . GLN A 1 95 ? 16.253 42.927 3.638 1.00 41.78 ? 787 GLN A OE1 1 \nATOM 673 N NE2 . GLN A 1 95 ? 16.248 43.197 1.412 1.00 43.91 ? 787 GLN A NE2 1 \nATOM 674 N N . LEU A 1 96 ? 15.995 36.856 3.148 1.00 33.94 ? 788 LEU A N 1 \nATOM 675 C CA . LEU A 1 96 ? 15.086 35.737 3.441 1.00 35.29 ? 788 LEU A CA 1 \nATOM 676 C C . LEU A 1 96 ? 14.084 36.113 4.506 1.00 30.71 ? 788 LEU A C 1 \nATOM 677 O O . LEU A 1 96 ? 14.427 36.716 5.524 1.00 32.86 ? 788 LEU A O 1 \nATOM 678 C CB . LEU A 1 96 ? 15.887 34.523 3.909 1.00 32.95 ? 788 LEU A CB 1 \nATOM 679 C CG . LEU A 1 96 ? 17.028 34.042 3.026 1.00 35.16 ? 788 LEU A CG 1 \nATOM 680 C CD1 . LEU A 1 96 ? 17.745 32.897 3.724 1.00 34.86 ? 788 LEU A CD1 1 \nATOM 681 C CD2 . LEU A 1 96 ? 16.502 33.617 1.664 1.00 37.74 ? 788 LEU A CD2 1 \nATOM 682 N N . ILE A 1 97 ? 12.820 35.776 4.290 1.00 30.64 ? 789 ILE A N 1 \nATOM 683 C CA . ILE A 1 97 ? 11.799 36.205 5.231 1.00 28.88 ? 789 ILE A CA 1 \nATOM 684 C C . ILE A 1 97 ? 11.097 34.984 5.799 1.00 25.85 ? 789 ILE A C 1 \nATOM 685 O O . ILE A 1 97 ? 10.735 34.081 5.056 1.00 33.02 ? 789 ILE A O 1 \nATOM 686 C CB . ILE A 1 97 ? 10.799 37.178 4.563 1.00 34.04 ? 789 ILE A CB 1 \nATOM 687 C CG1 . ILE A 1 97 ? 11.507 38.480 4.147 1.00 37.69 ? 789 ILE A CG1 1 \nATOM 688 C CG2 . ILE A 1 97 ? 9.617 37.488 5.479 1.00 35.36 ? 789 ILE A CG2 1 \nATOM 689 C CD1 . ILE A 1 97 ? 12.058 38.438 2.739 1.00 38.70 ? 789 ILE A CD1 1 \nATOM 690 N N . THR A 1 98 ? 10.936 34.964 7.116 1.00 25.06 ? 790 THR A N 1 \nATOM 691 C CA . THR A 1 98 ? 10.342 33.827 7.816 1.00 27.17 ? 790 THR A CA 1 \nATOM 692 C C . THR A 1 98 ? 9.494 34.315 8.999 1.00 29.00 ? 790 THR A C 1 \nATOM 693 O O . THR A 1 98 ? 9.635 35.461 9.477 1.00 29.51 ? 790 THR A O 1 \nATOM 694 C CB . THR A 1 98 ? 11.412 32.818 8.305 1.00 30.02 ? 790 THR A CB 1 \nATOM 695 O OG1 . THR A 1 98 ? 10.789 31.611 8.765 1.00 34.01 ? 790 THR A OG1 1 \nATOM 696 C CG2 . THR A 1 98 ? 12.237 33.433 9.444 1.00 31.21 ? 790 THR A CG2 1 \nATOM 697 N N . GLN A 1 99 ? 8.618 33.441 9.488 1.00 30.66 ? 791 GLN A N 1 \nATOM 698 C CA . GLN A 1 99 ? 7.785 33.807 10.630 1.00 36.46 ? 791 GLN A CA 1 \nATOM 699 C C . GLN A 1 99 ? 8.674 34.148 11.824 1.00 34.02 ? 791 GLN A C 1 \nATOM 700 O O . GLN A 1 99 ? 9.592 33.396 12.152 1.00 33.64 ? 791 GLN A O 1 \nATOM 701 C CB . GLN A 1 99 ? 6.819 32.678 10.987 1.00 35.09 ? 791 GLN A CB 1 \nATOM 702 C CG . GLN A 1 99 ? 5.969 32.941 12.226 1.00 43.19 ? 791 GLN A CG 1 \nATOM 703 C CD . GLN A 1 99 ? 5.029 31.789 12.571 1.00 55.79 ? 791 GLN A CD 1 \nATOM 704 O OE1 . GLN A 1 99 ? 5.093 30.712 11.975 1.00 52.44 ? 791 GLN A OE1 1 \nATOM 705 N NE2 . GLN A 1 99 ? 4.162 32.011 13.552 1.00 61.70 ? 791 GLN A NE2 1 \nATOM 706 N N . LEU A 1 100 ? 8.411 35.287 12.464 1.00 31.17 ? 792 LEU A N 1 \nATOM 707 C CA . LEU A 1 100 ? 9.174 35.661 13.656 1.00 33.99 ? 792 LEU A CA 1 \nATOM 708 C C . LEU A 1 100 ? 8.850 34.728 14.811 1.00 43.25 ? 792 LEU A C 1 \nATOM 709 O O . LEU A 1 100 ? 7.684 34.452 15.080 1.00 34.41 ? 792 LEU A O 1 \nATOM 710 C CB . LEU A 1 100 ? 8.922 37.111 14.075 1.00 29.38 ? 792 LEU A CB 1 \nATOM 711 C CG . LEU A 1 100 ? 9.671 37.595 15.317 1.00 33.72 ? 792 LEU A CG 1 \nATOM 712 C CD1 . LEU A 1 100 ? 11.186 37.568 15.018 1.00 31.79 ? 792 LEU A CD1 1 \nATOM 713 C CD2 . LEU A 1 100 ? 9.205 38.962 15.810 1.00 33.47 ? 792 LEU A CD2 1 \nATOM 714 N N . MET A 1 101 ? 9.888 34.228 15.477 1.00 34.59 ? 793 MET A N 1 \nATOM 715 C CA . MET A 1 101 ? 9.710 33.390 16.667 1.00 38.57 ? 793 MET A CA 1 \nATOM 716 C C . MET A 1 101 ? 10.133 34.232 17.866 1.00 35.33 ? 793 MET A C 1 \nATOM 717 O O . MET A 1 101 ? 11.318 34.339 18.163 1.00 31.81 ? 793 MET A O 1 \nATOM 718 C CB . MET A 1 101 ? 10.542 32.098 16.609 1.00 31.33 ? 793 MET A CB 1 \nATOM 719 C CG . MET A 1 101 ? 10.279 31.184 15.428 1.00 47.71 ? 793 MET A CG 1 \nATOM 720 S SD . MET A 1 101 ? 8.821 30.169 15.693 1.00 56.46 ? 793 MET A SD 1 \nATOM 721 C CE . MET A 1 101 ? 7.733 30.916 14.499 1.00 48.95 ? 793 MET A CE 1 \nATOM 722 N N . PRO A 1 102 ? 9.162 34.859 18.553 1.00 35.55 ? 794 PRO A N 1 \nATOM 723 C CA . PRO A 1 102 ? 9.545 35.860 19.543 1.00 30.76 ? 794 PRO A CA 1 \nATOM 724 C C . PRO A 1 102 ? 9.986 35.307 20.884 1.00 28.26 ? 794 PRO A C 1 \nATOM 725 O O . PRO A 1 102 ? 10.447 36.072 21.701 1.00 34.35 ? 794 PRO A O 1 \nATOM 726 C CB . PRO A 1 102 ? 8.248 36.694 19.710 1.00 42.71 ? 794 PRO A CB 1 \nATOM 727 C CG . PRO A 1 102 ? 7.172 35.699 19.470 1.00 43.64 ? 794 PRO A CG 1 \nATOM 728 C CD . PRO A 1 102 ? 7.693 34.780 18.392 1.00 44.18 ? 794 PRO A CD 1 \nATOM 729 N N . PHE A 1 103 ? 9.891 33.990 21.115 1.00 29.98 ? 795 PHE A N 1 \nATOM 730 C CA . PHE A 1 103 ? 10.526 33.422 22.310 1.00 33.66 ? 795 PHE A CA 1 \nATOM 731 C C . PHE A 1 103 ? 12.029 33.222 22.148 1.00 31.23 ? 795 PHE A C 1 \nATOM 732 O O . PHE A 1 103 ? 12.724 32.956 23.132 1.00 37.68 ? 795 PHE A O 1 \nATOM 733 C CB . PHE A 1 103 ? 9.840 32.132 22.793 1.00 39.00 ? 795 PHE A CB 1 \nATOM 734 C CG . PHE A 1 103 ? 8.409 32.336 23.205 1.00 47.26 ? 795 PHE A CG 1 \nATOM 735 C CD1 . PHE A 1 103 ? 7.408 31.504 22.721 1.00 53.18 ? 795 PHE A CD1 1 \nATOM 736 C CD2 . PHE A 1 103 ? 8.058 33.381 24.059 1.00 58.22 ? 795 PHE A CD2 1 \nATOM 737 C CE1 . PHE A 1 103 ? 6.080 31.702 23.090 1.00 72.79 ? 795 PHE A CE1 1 \nATOM 738 C CE2 . PHE A 1 103 ? 6.734 33.585 24.431 1.00 64.24 ? 795 PHE A CE2 1 \nATOM 739 C CZ . PHE A 1 103 ? 5.742 32.745 23.944 1.00 67.83 ? 795 PHE A CZ 1 \nATOM 740 N N . GLY A 1 104 ? 12.521 33.370 20.915 1.00 32.03 ? 796 GLY A N 1 \nATOM 741 C CA . GLY A 1 104 ? 13.979 33.388 20.629 1.00 34.05 ? 796 GLY A CA 1 \nATOM 742 C C . GLY A 1 104 ? 14.608 32.018 20.441 1.00 33.43 ? 796 GLY A C 1 \nATOM 743 O O . GLY A 1 104 ? 13.889 31.009 20.242 1.00 31.30 ? 796 GLY A O 1 \nATOM 744 N N . CYS A 1 105 ? 15.943 31.954 20.486 1.00 30.57 ? 797 CYS A N 1 \nATOM 745 C CA . CYS A 1 105 ? 16.586 30.652 20.281 1.00 29.37 ? 797 CYS A CA 1 \nATOM 746 C C . CYS A 1 105 ? 16.668 29.805 21.550 1.00 30.71 ? 797 CYS A C 1 \nATOM 747 O O . CYS A 1 105 ? 16.623 30.314 22.695 1.00 30.01 ? 797 CYS A O 1 \nATOM 748 C CB . CYS A 1 105 ? 17.978 30.814 19.648 1.00 43.11 ? 797 CYS A CB 1 \nATOM 749 S SG . CYS A 1 105 ? 19.123 31.656 20.730 1.00 58.13 ? 797 CYS A SG 1 \nATOM 750 N N . LEU A 1 106 ? 16.791 28.495 21.342 1.00 35.30 ? 798 LEU A N 1 \nATOM 751 C CA . LEU A 1 106 ? 16.874 27.549 22.445 1.00 34.49 ? 798 LEU A CA 1 \nATOM 752 C C . LEU A 1 106 ? 18.173 27.763 23.222 1.00 29.27 ? 798 LEU A C 1 \nATOM 753 O O . LEU A 1 106 ? 18.205 27.541 24.431 1.00 31.95 ? 798 LEU A O 1 \nATOM 754 C CB . LEU A 1 106 ? 16.769 26.092 21.946 1.00 28.13 ? 798 LEU A CB 1 \nATOM 755 C CG . LEU A 1 106 ? 16.579 25.005 23.020 1.00 30.34 ? 798 LEU A CG 1 \nATOM 756 C CD1 . LEU A 1 106 ? 15.398 25.294 23.961 1.00 34.84 ? 798 LEU A CD1 1 \nATOM 757 C CD2 . LEU A 1 106 ? 16.357 23.627 22.364 1.00 29.21 ? 798 LEU A CD2 1 \nATOM 758 N N . LEU A 1 107 ? 19.221 28.218 22.540 1.00 31.78 ? 799 LEU A N 1 \nATOM 759 C CA . LEU A 1 107 ? 20.484 28.489 23.226 1.00 30.68 ? 799 LEU A CA 1 \nATOM 760 C C . LEU A 1 107 ? 20.288 29.581 24.284 1.00 32.64 ? 799 LEU A C 1 \nATOM 761 O O . LEU A 1 107 ? 20.748 29.461 25.421 1.00 31.25 ? 799 LEU A O 1 \nATOM 762 C CB . LEU A 1 107 ? 21.592 28.875 22.230 1.00 32.88 ? 799 LEU A CB 1 \nATOM 763 C CG . LEU A 1 107 ? 22.929 29.276 22.874 1.00 31.32 ? 799 LEU A CG 1 \nATOM 764 C CD1 . LEU A 1 107 ? 23.518 28.108 23.667 1.00 36.85 ? 799 LEU A CD1 1 \nATOM 765 C CD2 . LEU A 1 107 ? 23.967 29.769 21.868 1.00 36.94 ? 799 LEU A CD2 1 \nATOM 766 N N . ASP A 1 108 ? 19.583 30.643 23.912 1.00 32.68 ? 800 ASP A N 1 \nATOM 767 C CA . ASP A 1 108 ? 19.374 31.739 24.855 1.00 34.91 ? 800 ASP A CA 1 \nATOM 768 C C . ASP A 1 108 ? 18.443 31.291 25.942 1.00 31.79 ? 800 ASP A C 1 \nATOM 769 O O . ASP A 1 108 ? 18.597 31.688 27.095 1.00 32.60 ? 800 ASP A O 1 \nATOM 770 C CB . ASP A 1 108 ? 18.845 32.992 24.160 1.00 34.98 ? 800 ASP A CB 1 \nATOM 771 C CG . ASP A 1 108 ? 19.900 33.683 23.315 1.00 52.24 ? 800 ASP A CG 1 \nATOM 772 O OD1 . ASP A 1 108 ? 19.513 34.368 22.349 1.00 55.86 ? 800 ASP A OD1 1 \nATOM 773 O OD2 . ASP A 1 108 ? 21.114 33.544 23.610 1.00 50.16 ? 800 ASP A OD2 1 \nATOM 774 N N . TYR A 1 109 ? 17.485 30.434 25.575 1.00 32.99 ? 801 TYR A N 1 \nATOM 775 C CA . TYR A 1 109 ? 16.480 29.942 26.513 1.00 37.10 ? 801 TYR A CA 1 \nATOM 776 C C . TYR A 1 109 ? 17.077 29.074 27.614 1.00 36.24 ? 801 TYR A C 1 \nATOM 777 O O . TYR A 1 109 ? 16.769 29.274 28.794 1.00 36.20 ? 801 TYR A O 1 \nATOM 778 C CB . TYR A 1 109 ? 15.381 29.168 25.781 1.00 31.79 ? 801 TYR A CB 1 \nATOM 779 C CG . TYR A 1 109 ? 14.195 28.833 26.648 1.00 40.70 ? 801 TYR A CG 1 \nATOM 780 C CD1 . TYR A 1 109 ? 14.160 27.658 27.392 1.00 40.54 ? 801 TYR A CD1 1 \nATOM 781 C CD2 . TYR A 1 109 ? 13.087 29.703 26.717 1.00 40.28 ? 801 TYR A CD2 1 \nATOM 782 C CE1 . TYR A 1 109 ? 13.060 27.344 28.187 1.00 45.35 ? 801 TYR A CE1 1 \nATOM 783 C CE2 . TYR A 1 109 ? 11.985 29.402 27.512 1.00 47.53 ? 801 TYR A CE2 1 \nATOM 784 C CZ . TYR A 1 109 ? 11.979 28.223 28.241 1.00 48.21 ? 801 TYR A CZ 1 \nATOM 785 O OH . TYR A 1 109 ? 10.900 27.909 29.028 1.00 52.74 ? 801 TYR A OH 1 \nATOM 786 N N . VAL A 1 110 ? 17.945 28.132 27.248 1.00 34.38 ? 802 VAL A N 1 \nATOM 787 C CA . VAL A 1 110 ? 18.619 27.317 28.275 1.00 32.90 ? 802 VAL A CA 1 \nATOM 788 C C . VAL A 1 110 ? 19.560 28.099 29.203 1.00 35.29 ? 802 VAL A C 1 \nATOM 789 O O . VAL A 1 110 ? 19.650 27.794 30.384 1.00 36.18 ? 802 VAL A O 1 \nATOM 790 C CB . VAL A 1 110 ? 19.318 26.049 27.707 1.00 35.68 ? 802 VAL A CB 1 \nATOM 791 C CG1 . VAL A 1 110 ? 18.309 25.183 26.975 1.00 32.43 ? 802 VAL A CG1 1 \nATOM 792 C CG2 . VAL A 1 110 ? 20.491 26.388 26.799 1.00 30.24 ? 802 VAL A CG2 1 \nATOM 793 N N . ARG A 1 111 ? 20.273 29.077 28.652 1.00 35.21 ? 803 ARG A N 1 \nATOM 794 C CA . ARG A 1 111 ? 21.118 29.983 29.430 1.00 34.14 ? 803 ARG A CA 1 \nATOM 795 C C . ARG A 1 111 ? 20.283 30.806 30.422 1.00 34.89 ? 803 ARG A C 1 \nATOM 796 O O . ARG A 1 111 ? 20.659 30.943 31.581 1.00 36.87 ? 803 ARG A O 1 \nATOM 797 C CB . ARG A 1 111 ? 21.882 30.923 28.493 1.00 37.80 ? 803 ARG A CB 1 \nATOM 798 C CG . ARG A 1 111 ? 23.077 30.252 27.824 1.00 40.47 ? 803 ARG A CG 1 \nATOM 799 C CD . ARG A 1 111 ? 23.626 31.102 26.693 1.00 37.81 ? 803 ARG A CD 1 \nATOM 800 N NE . ARG A 1 111 ? 24.840 30.526 26.094 1.00 31.61 ? 803 ARG A NE 1 \nATOM 801 C CZ . ARG A 1 111 ? 25.558 31.121 25.144 1.00 42.39 ? 803 ARG A CZ 1 \nATOM 802 N NH1 . ARG A 1 111 ? 25.187 32.304 24.666 1.00 40.81 ? 803 ARG A NH1 1 \nATOM 803 N NH2 . ARG A 1 111 ? 26.647 30.541 24.660 1.00 37.03 ? 803 ARG A NH2 1 \nATOM 804 N N . GLU A 1 112 ? 19.133 31.303 29.973 1.00 38.72 ? 804 GLU A N 1 \nATOM 805 C CA . GLU A 1 112 ? 18.271 32.145 30.822 1.00 41.32 ? 804 GLU A CA 1 \nATOM 806 C C . GLU A 1 112 ? 17.514 31.355 31.902 1.00 49.15 ? 804 GLU A C 1 \nATOM 807 O O . GLU A 1 112 ? 17.378 31.812 33.048 1.00 42.48 ? 804 GLU A O 1 \nATOM 808 C CB . GLU A 1 112 ? 17.299 32.946 29.948 1.00 41.36 ? 804 GLU A CB 1 \nATOM 809 C CG . GLU A 1 112 ? 16.339 33.862 30.708 1.00 59.06 ? 804 GLU A CG 1 \nATOM 810 C CD . GLU A 1 112 ? 16.924 35.233 31.006 1.00 77.26 ? 804 GLU A CD 1 \nATOM 811 O OE1 . GLU A 1 112 ? 18.167 35.388 30.997 1.00 77.65 ? 804 GLU A OE1 1 \nATOM 812 O OE2 . GLU A 1 112 ? 16.130 36.168 31.246 1.00 98.71 ? 804 GLU A OE2 1 \nATOM 813 N N . HIS A 1 113 ? 17.039 30.166 31.541 1.00 38.93 ? 805 HIS A N 1 \nATOM 814 C CA . HIS A 1 113 ? 16.138 29.400 32.401 1.00 43.34 ? 805 HIS A CA 1 \nATOM 815 C C . HIS A 1 113 ? 16.748 28.177 33.068 1.00 43.35 ? 805 HIS A C 1 \nATOM 816 O O . HIS A 1 113 ? 16.020 27.342 33.600 1.00 51.79 ? 805 HIS A O 1 \nATOM 817 C CB . HIS A 1 113 ? 14.870 29.006 31.632 1.00 44.55 ? 805 HIS A CB 1 \nATOM 818 C CG . HIS A 1 113 ? 14.083 30.182 31.156 1.00 52.86 ? 805 HIS A CG 1 \nATOM 819 N ND1 . HIS A 1 113 ? 14.167 30.660 29.867 1.00 54.67 ? 805 HIS A ND1 1 \nATOM 820 C CD2 . HIS A 1 113 ? 13.232 31.007 31.809 1.00 55.38 ? 805 HIS A CD2 1 \nATOM 821 C CE1 . HIS A 1 113 ? 13.389 31.720 29.742 1.00 60.50 ? 805 HIS A CE1 1 \nATOM 822 N NE2 . HIS A 1 113 ? 12.809 31.950 30.905 1.00 62.29 ? 805 HIS A NE2 1 \nATOM 823 N N . LYS A 1 114 ? 18.074 28.090 33.066 1.00 44.74 ? 806 LYS A N 1 \nATOM 824 C CA . LYS A 1 114 ? 18.785 26.942 33.615 1.00 45.17 ? 806 LYS A CA 1 \nATOM 825 C C . LYS A 1 114 ? 18.172 26.384 34.918 1.00 56.68 ? 806 LYS A C 1 \nATOM 826 O O . LYS A 1 114 ? 17.865 25.192 35.011 1.00 53.97 ? 806 LYS A O 1 \nATOM 827 C CB . LYS A 1 114 ? 20.268 27.288 33.806 1.00 43.12 ? 806 LYS A CB 1 \nATOM 828 C CG . LYS A 1 114 ? 21.042 26.183 34.499 1.00 58.87 ? 806 LYS A CG 1 \nATOM 829 C CD . LYS A 1 114 ? 22.491 26.560 34.763 1.00 64.56 ? 806 LYS A CD 1 \nATOM 830 C CE . LYS A 1 114 ? 23.200 25.398 35.441 1.00 65.16 ? 806 LYS A CE 1 \nATOM 831 N NZ . LYS A 1 114 ? 24.382 25.844 36.218 1.00 60.36 ? 806 LYS A NZ 1 \nATOM 832 N N . ASP A 1 115 ? 17.965 27.256 35.904 1.00 53.18 ? 807 ASP A N 1 \nATOM 833 C CA . ASP A 1 115 ? 17.482 26.843 37.231 1.00 56.78 ? 807 ASP A CA 1 \nATOM 834 C C . ASP A 1 115 ? 16.028 26.323 37.271 1.00 63.01 ? 807 ASP A C 1 \nATOM 835 O O . ASP A 1 115 ? 15.553 25.851 38.313 1.00 56.81 ? 807 ASP A O 1 \nATOM 836 C CB . ASP A 1 115 ? 17.667 27.995 38.233 1.00 62.76 ? 807 ASP A CB 1 \nATOM 837 C CG . ASP A 1 115 ? 19.124 28.431 38.363 1.00 73.79 ? 807 ASP A CG 1 \nATOM 838 O OD1 . ASP A 1 115 ? 20.027 27.618 38.050 1.00 68.87 ? 807 ASP A OD1 1 \nATOM 839 O OD2 . ASP A 1 115 ? 19.366 29.586 38.782 1.00 75.03 ? 807 ASP A OD2 1 \nATOM 840 N N . ASN A 1 116 ? 15.330 26.396 36.142 1.00 45.89 ? 808 ASN A N 1 \nATOM 841 C CA . ASN A 1 116 ? 13.943 25.914 36.067 1.00 56.29 ? 808 ASN A CA 1 \nATOM 842 C C . ASN A 1 116 ? 13.695 24.837 35.025 1.00 52.02 ? 808 ASN A C 1 \nATOM 843 O O . ASN A 1 116 ? 12.554 24.400 34.845 1.00 49.29 ? 808 ASN A O 1 \nATOM 844 C CB . ASN A 1 116 ? 12.980 27.078 35.838 1.00 48.40 ? 808 ASN A CB 1 \nATOM 845 C CG . ASN A 1 116 ? 12.826 27.946 37.065 1.00 62.63 ? 808 ASN A CG 1 \nATOM 846 O OD1 . ASN A 1 116 ? 12.477 27.461 38.144 1.00 73.28 ? 808 ASN A OD1 1 \nATOM 847 N ND2 . ASN A 1 116 ? 13.085 29.238 36.909 1.00 61.06 ? 808 ASN A ND2 1 \nATOM 848 N N . ILE A 1 117 ? 14.753 24.416 34.339 1.00 48.57 ? 809 ILE A N 1 \nATOM 849 C CA . ILE A 1 117 ? 14.637 23.400 33.288 1.00 41.03 ? 809 ILE A CA 1 \nATOM 850 C C . ILE A 1 117 ? 14.874 21.999 33.849 1.00 45.86 ? 809 ILE A C 1 \nATOM 851 O O . ILE A 1 117 ? 15.958 21.694 34.351 1.00 41.10 ? 809 ILE A O 1 \nATOM 852 C CB . ILE A 1 117 ? 15.604 23.686 32.115 1.00 41.13 ? 809 ILE A CB 1 \nATOM 853 C CG1 . ILE A 1 117 ? 15.190 24.972 31.390 1.00 35.35 ? 809 ILE A CG1 1 \nATOM 854 C CG2 . ILE A 1 117 ? 15.645 22.510 31.144 1.00 38.57 ? 809 ILE A CG2 1 \nATOM 855 C CD1 . ILE A 1 117 ? 16.272 25.545 30.484 1.00 34.81 ? 809 ILE A CD1 1 \nATOM 856 N N . GLY A 1 118 ? 13.852 21.151 33.736 1.00 42.20 ? 810 GLY A N 1 \nATOM 857 C CA . GLY A 1 118 ? 13.925 19.761 34.180 1.00 45.43 ? 810 GLY A CA 1 \nATOM 858 C C . GLY A 1 118 ? 14.296 18.770 33.086 1.00 40.55 ? 810 GLY A C 1 \nATOM 859 O O . GLY A 1 118 ? 14.349 19.116 31.901 1.00 40.46 ? 810 GLY A O 1 \nATOM 860 N N . SER A 1 119 ? 14.534 17.525 33.485 1.00 36.70 ? 811 SER A N 1 \nATOM 861 C CA . SER A 1 119 ? 15.009 16.508 32.567 1.00 39.63 ? 811 SER A CA 1 \nATOM 862 C C . SER A 1 119 ? 14.044 16.236 31.431 1.00 40.65 ? 811 SER A C 1 \nATOM 863 O O . SER A 1 119 ? 14.482 15.944 30.322 1.00 35.55 ? 811 SER A O 1 \nATOM 864 C CB . SER A 1 119 ? 15.310 15.211 33.314 1.00 42.84 ? 811 SER A CB 1 \nATOM 865 O OG . SER A 1 119 ? 14.205 14.860 34.128 1.00 46.09 ? 811 SER A OG 1 \nATOM 866 N N . GLN A 1 120 ? 12.738 16.306 31.721 1.00 36.00 ? 812 GLN A N 1 \nATOM 867 C CA . GLN A 1 120 ? 11.706 16.021 30.737 1.00 37.19 ? 812 GLN A CA 1 \nATOM 868 C C . GLN A 1 120 ? 11.785 16.967 29.549 1.00 36.52 ? 812 GLN A C 1 \nATOM 869 O O . GLN A 1 120 ? 11.662 16.540 28.397 1.00 33.95 ? 812 GLN A O 1 \nATOM 870 C CB . GLN A 1 120 ? 10.313 16.118 31.379 1.00 42.80 ? 812 GLN A CB 1 \nATOM 871 C CG . GLN A 1 120 ? 9.171 15.675 30.473 1.00 41.78 ? 812 GLN A CG 1 \nATOM 872 C CD . GLN A 1 120 ? 9.182 14.179 30.210 1.00 46.95 ? 812 GLN A CD 1 \nATOM 873 O OE1 . GLN A 1 120 ? 8.750 13.390 31.044 1.00 44.42 ? 812 GLN A OE1 1 \nATOM 874 N NE2 . GLN A 1 120 ? 9.675 13.785 29.044 1.00 42.08 ? 812 GLN A NE2 1 \nATOM 875 N N . TYR A 1 121 ? 11.963 18.254 29.832 1.00 32.34 ? 813 TYR A N 1 \nATOM 876 C CA . TYR A 1 121 ? 12.030 19.240 28.771 1.00 32.29 ? 813 TYR A CA 1 \nATOM 877 C C . TYR A 1 121 ? 13.266 19.034 27.908 1.00 31.16 ? 813 TYR A C 1 \nATOM 878 O O . TYR A 1 121 ? 13.163 19.089 26.680 1.00 29.68 ? 813 TYR A O 1 \nATOM 879 C CB . TYR A 1 121 ? 12.024 20.652 29.344 1.00 38.14 ? 813 TYR A CB 1 \nATOM 880 C CG . TYR A 1 121 ? 10.622 21.155 29.638 1.00 51.63 ? 813 TYR A CG 1 \nATOM 881 C CD1 . TYR A 1 121 ? 9.906 21.869 28.679 1.00 54.26 ? 813 TYR A CD1 1 \nATOM 882 C CD2 . TYR A 1 121 ? 10.009 20.895 30.864 1.00 53.00 ? 813 TYR A CD2 1 \nATOM 883 C CE1 . TYR A 1 121 ? 8.622 22.329 28.940 1.00 68.44 ? 813 TYR A CE1 1 \nATOM 884 C CE2 . TYR A 1 121 ? 8.726 21.352 31.135 1.00 63.66 ? 813 TYR A CE2 1 \nATOM 885 C CZ . TYR A 1 121 ? 8.039 22.066 30.169 1.00 71.43 ? 813 TYR A CZ 1 \nATOM 886 O OH . TYR A 1 121 ? 6.767 22.523 30.430 1.00 76.05 ? 813 TYR A OH 1 \nATOM 887 N N . LEU A 1 122 ? 14.420 18.807 28.549 1.00 36.58 ? 814 LEU A N 1 \nATOM 888 C CA . LEU A 1 122 ? 15.674 18.661 27.821 1.00 30.86 ? 814 LEU A CA 1 \nATOM 889 C C . LEU A 1 122 ? 15.637 17.463 26.892 1.00 35.35 ? 814 LEU A C 1 \nATOM 890 O O . LEU A 1 122 ? 16.056 17.551 25.749 1.00 32.61 ? 814 LEU A O 1 \nATOM 891 C CB . LEU A 1 122 ? 16.871 18.486 28.781 1.00 34.36 ? 814 LEU A CB 1 \nATOM 892 C CG . LEU A 1 122 ? 17.315 19.756 29.502 1.00 32.88 ? 814 LEU A CG 1 \nATOM 893 C CD1 . LEU A 1 122 ? 18.045 19.417 30.796 1.00 31.09 ? 814 LEU A CD1 1 \nATOM 894 C CD2 . LEU A 1 122 ? 18.149 20.612 28.556 1.00 31.70 ? 814 LEU A CD2 1 \nATOM 895 N N . LEU A 1 123 ? 15.127 16.340 27.389 1.00 32.49 ? 815 LEU A N 1 \nATOM 896 C CA . LEU A 1 123 ? 15.018 15.148 26.557 1.00 32.42 ? 815 LEU A CA 1 \nATOM 897 C C . LEU A 1 123 ? 13.996 15.297 25.445 1.00 28.76 ? 815 LEU A C 1 \nATOM 898 O O . LEU A 1 123 ? 14.208 14.802 24.337 1.00 26.06 ? 815 LEU A O 1 \nATOM 899 C CB . LEU A 1 123 ? 14.741 13.911 27.415 1.00 29.83 ? 815 LEU A CB 1 \nATOM 900 C CG . LEU A 1 123 ? 15.915 13.501 28.312 1.00 33.92 ? 815 LEU A CG 1 \nATOM 901 C CD1 . LEU A 1 123 ? 15.462 12.483 29.345 1.00 36.17 ? 815 LEU A CD1 1 \nATOM 902 C CD2 . LEU A 1 123 ? 17.080 12.941 27.508 1.00 37.71 ? 815 LEU A CD2 1 \nATOM 903 N N . ASN A 1 124 ? 12.867 15.947 25.736 1.00 30.63 ? 816 ASN A N 1 \nATOM 904 C CA . ASN A 1 124 ? 11.881 16.223 24.681 1.00 31.65 ? 816 ASN A CA 1 \nATOM 905 C C . ASN A 1 124 ? 12.464 17.122 23.582 1.00 28.45 ? 816 ASN A C 1 \nATOM 906 O O . ASN A 1 124 ? 12.242 16.892 22.404 1.00 28.56 ? 816 ASN A O 1 \nATOM 907 C CB . ASN A 1 124 ? 10.589 16.848 25.249 1.00 31.15 ? 816 ASN A CB 1 \nATOM 908 C CG . ASN A 1 124 ? 9.707 15.839 25.984 1.00 41.85 ? 816 ASN A CG 1 \nATOM 909 O OD1 . ASN A 1 124 ? 9.945 14.631 25.965 1.00 44.46 ? 816 ASN A OD1 1 \nATOM 910 N ND2 . ASN A 1 124 ? 8.653 16.349 26.627 1.00 44.28 ? 816 ASN A ND2 1 \nATOM 911 N N . TRP A 1 125 ? 13.245 18.122 23.953 1.00 31.52 ? 817 TRP A N 1 \nATOM 912 C CA . TRP A 1 125 ? 13.885 18.918 22.908 1.00 34.10 ? 817 TRP A CA 1 \nATOM 913 C C . TRP A 1 125 ? 14.764 18.075 21.997 1.00 28.46 ? 817 TRP A C 1 \nATOM 914 O O . TRP A 1 125 ? 14.776 18.295 20.785 1.00 27.78 ? 817 TRP A O 1 \nATOM 915 C CB . TRP A 1 125 ? 14.656 20.106 23.455 1.00 35.22 ? 817 TRP A CB 1 \nATOM 916 C CG . TRP A 1 125 ? 13.763 21.120 24.175 1.00 35.48 ? 817 TRP A CG 1 \nATOM 917 C CD1 . TRP A 1 125 ? 12.435 21.414 23.920 1.00 38.29 ? 817 TRP A CD1 1 \nATOM 918 C CD2 . TRP A 1 125 ? 14.147 21.925 25.286 1.00 33.22 ? 817 TRP A CD2 1 \nATOM 919 N NE1 . TRP A 1 125 ? 11.996 22.373 24.796 1.00 34.21 ? 817 TRP A NE1 1 \nATOM 920 C CE2 . TRP A 1 125 ? 13.019 22.700 25.653 1.00 42.26 ? 817 TRP A CE2 1 \nATOM 921 C CE3 . TRP A 1 125 ? 15.343 22.066 26.017 1.00 35.06 ? 817 TRP A CE3 1 \nATOM 922 C CZ2 . TRP A 1 125 ? 13.048 23.613 26.725 1.00 36.27 ? 817 TRP A CZ2 1 \nATOM 923 C CZ3 . TRP A 1 125 ? 15.376 22.974 27.084 1.00 37.42 ? 817 TRP A CZ3 1 \nATOM 924 C CH2 . TRP A 1 125 ? 14.226 23.738 27.424 1.00 39.45 ? 817 TRP A CH2 1 \nATOM 925 N N . CYS A 1 126 ? 15.495 17.121 22.578 1.00 31.30 ? 818 CYS A N 1 \nATOM 926 C CA . CYS A 1 126 ? 16.398 16.272 21.797 1.00 28.29 ? 818 CYS A CA 1 \nATOM 927 C C . CYS A 1 126 ? 15.629 15.435 20.803 1.00 27.53 ? 818 CYS A C 1 \nATOM 928 O O . CYS A 1 126 ? 16.079 15.239 19.659 1.00 24.60 ? 818 CYS A O 1 \nATOM 929 C CB . CYS A 1 126 ? 17.216 15.373 22.712 1.00 30.70 ? 818 CYS A CB 1 \nATOM 930 S SG . CYS A 1 126 ? 18.371 16.323 23.741 1.00 32.48 ? 818 CYS A SG 1 \nATOM 931 N N . VAL A 1 127 ? 14.447 14.962 21.226 1.00 29.56 ? 819 VAL A N 1 \nATOM 932 C CA . VAL A 1 127 ? 13.585 14.184 20.330 1.00 26.87 ? 819 VAL A CA 1 \nATOM 933 C C . VAL A 1 127 ? 13.133 15.070 19.189 1.00 22.48 ? 819 VAL A C 1 \nATOM 934 O O . VAL A 1 127 ? 13.221 14.688 18.026 1.00 27.83 ? 819 VAL A O 1 \nATOM 935 C CB . VAL A 1 127 ? 12.334 13.601 21.046 1.00 30.60 ? 819 VAL A CB 1 \nATOM 936 C CG1 . VAL A 1 127 ? 11.386 12.992 20.031 1.00 33.23 ? 819 VAL A CG1 1 \nATOM 937 C CG2 . VAL A 1 127 ? 12.751 12.531 22.052 1.00 33.03 ? 819 VAL A CG2 1 \nATOM 938 N N . GLN A 1 128 ? 12.588 16.240 19.538 1.00 25.20 ? 820 GLN A N 1 \nATOM 939 C CA . GLN A 1 128 ? 12.071 17.161 18.544 1.00 24.15 ? 820 GLN A CA 1 \nATOM 940 C C . GLN A 1 128 ? 13.084 17.584 17.506 1.00 28.99 ? 820 GLN A C 1 \nATOM 941 O O . GLN A 1 128 ? 12.771 17.653 16.320 1.00 26.26 ? 820 GLN A O 1 \nATOM 942 C CB . GLN A 1 128 ? 11.485 18.387 19.236 1.00 30.21 ? 820 GLN A CB 1 \nATOM 943 C CG . GLN A 1 128 ? 10.167 18.044 19.948 1.00 29.63 ? 820 GLN A CG 1 \nATOM 944 C CD . GLN A 1 128 ? 9.625 19.192 20.778 1.00 40.17 ? 820 GLN A CD 1 \nATOM 945 O OE1 . GLN A 1 128 ? 10.012 20.344 20.586 1.00 38.95 ? 820 GLN A OE1 1 \nATOM 946 N NE2 . GLN A 1 128 ? 8.715 18.876 21.719 1.00 39.16 ? 820 GLN A NE2 1 \nATOM 947 N N . ILE A 1 129 ? 14.286 17.887 17.970 1.00 26.92 ? 821 ILE A N 1 \nATOM 948 C CA . ILE A 1 129 ? 15.378 18.243 17.044 1.00 27.15 ? 821 ILE A CA 1 \nATOM 949 C C . ILE A 1 129 ? 15.708 17.057 16.121 1.00 21.32 ? 821 ILE A C 1 \nATOM 950 O O . ILE A 1 129 ? 15.835 17.221 14.917 1.00 22.85 ? 821 ILE A O 1 \nATOM 951 C CB . ILE A 1 129 ? 16.633 18.777 17.769 1.00 28.62 ? 821 ILE A CB 1 \nATOM 952 C CG1 . ILE A 1 129 ? 16.328 20.096 18.516 1.00 25.26 ? 821 ILE A CG1 1 \nATOM 953 C CG2 . ILE A 1 129 ? 17.749 18.986 16.749 1.00 24.04 ? 821 ILE A CG2 1 \nATOM 954 C CD1 . ILE A 1 129 ? 17.358 20.475 19.579 1.00 24.33 ? 821 ILE A CD1 1 \nATOM 955 N N . ALA A 1 130 ? 15.776 15.855 16.678 1.00 23.15 ? 822 ALA A N 1 \nATOM 956 C CA . ALA A 1 130 ? 16.024 14.676 15.861 1.00 26.29 ? 822 ALA A CA 1 \nATOM 957 C C . ALA A 1 130 ? 14.870 14.421 14.888 1.00 22.85 ? 822 ALA A C 1 \nATOM 958 O O . ALA A 1 130 ? 15.078 14.004 13.766 1.00 22.39 ? 822 ALA A O 1 \nATOM 959 C CB . ALA A 1 130 ? 16.303 13.459 16.738 1.00 32.12 ? 822 ALA A CB 1 \nATOM 960 N N . LYS A 1 131 ? 13.620 14.706 15.281 1.00 22.94 ? 823 LYS A N 1 \nATOM 961 C CA . LYS A 1 131 ? 12.570 14.518 14.276 1.00 24.82 ? 823 LYS A CA 1 \nATOM 962 C C . LYS A 1 131 ? 12.712 15.503 13.100 1.00 23.26 ? 823 LYS A C 1 \nATOM 963 O O . LYS A 1 131 ? 12.557 15.124 11.928 1.00 26.11 ? 823 LYS A O 1 \nATOM 964 C CB . LYS A 1 131 ? 11.183 14.694 14.927 1.00 22.51 ? 823 LYS A CB 1 \nATOM 965 C CG . LYS A 1 131 ? 10.779 13.603 15.894 1.00 28.59 ? 823 LYS A CG 1 \nATOM 966 C CD . LYS A 1 131 ? 9.395 13.859 16.515 1.00 31.72 ? 823 LYS A CD 1 \nATOM 967 C CE . LYS A 1 131 ? 9.078 12.757 17.512 1.00 37.15 ? 823 LYS A CE 1 \nATOM 968 N NZ . LYS A 1 131 ? 7.670 12.819 18.034 1.00 38.50 ? 823 LYS A NZ 1 \nATOM 969 N N . GLY A 1 132 ? 12.985 16.775 13.391 1.00 25.36 ? 824 GLY A N 1 \nATOM 970 C CA . GLY A 1 132 ? 13.145 17.759 12.309 1.00 29.39 ? 824 GLY A CA 1 \nATOM 971 C C . GLY A 1 132 ? 14.330 17.419 11.403 1.00 26.12 ? 824 GLY A C 1 \nATOM 972 O O . GLY A 1 132 ? 14.287 17.590 10.179 1.00 24.27 ? 824 GLY A O 1 \nATOM 973 N N . MET A 1 133 ? 15.416 16.956 12.009 1.00 27.53 ? 825 MET A N 1 \nATOM 974 C CA . MET A 1 133 ? 16.585 16.546 11.189 1.00 24.74 ? 825 MET A CA 1 \nATOM 975 C C . MET A 1 133 ? 16.271 15.293 10.348 1.00 23.11 ? 825 MET A C 1 \nATOM 976 O O . MET A 1 133 ? 16.627 15.224 9.171 1.00 25.98 ? 825 MET A O 1 \nATOM 977 C CB . MET A 1 133 ? 17.820 16.335 12.068 1.00 26.81 ? 825 MET A CB 1 \nATOM 978 C CG . MET A 1 133 ? 18.301 17.619 12.738 1.00 28.15 ? 825 MET A CG 1 \nATOM 979 S SD . MET A 1 133 ? 18.784 18.939 11.613 1.00 28.88 ? 825 MET A SD 1 \nATOM 980 C CE . MET A 1 133 ? 20.287 18.281 10.877 1.00 27.33 ? 825 MET A CE 1 \nATOM 981 N N . ASN A 1 134 ? 15.517 14.352 10.905 1.00 27.36 ? 826 ASN A N 1 \nATOM 982 C CA . ASN A 1 134 ? 15.105 13.212 10.109 1.00 26.66 ? 826 ASN A CA 1 \nATOM 983 C C . ASN A 1 134 ? 14.194 13.641 8.933 1.00 24.20 ? 826 ASN A C 1 \nATOM 984 O O . ASN A 1 134 ? 14.274 13.071 7.825 1.00 22.04 ? 826 ASN A O 1 \nATOM 985 C CB . ASN A 1 134 ? 14.425 12.149 10.976 1.00 26.04 ? 826 ASN A CB 1 \nATOM 986 C CG . ASN A 1 134 ? 14.052 10.912 10.187 1.00 28.55 ? 826 ASN A CG 1 \nATOM 987 O OD1 . ASN A 1 134 ? 14.915 10.179 9.684 1.00 27.71 ? 826 ASN A OD1 1 \nATOM 988 N ND2 . ASN A 1 134 ? 12.746 10.665 10.078 1.00 31.03 ? 826 ASN A ND2 1 \nATOM 989 N N . TYR A 1 135 ? 13.365 14.662 9.159 1.00 30.63 ? 827 TYR A N 1 \nATOM 990 C CA . TYR A 1 135 ? 12.519 15.203 8.080 1.00 29.94 ? 827 TYR A CA 1 \nATOM 991 C C . TYR A 1 135 ? 13.389 15.835 7.001 1.00 30.42 ? 827 TYR A C 1 \nATOM 992 O O . TYR A 1 135 ? 13.182 15.591 5.813 1.00 26.26 ? 827 TYR A O 1 \nATOM 993 C CB . TYR A 1 135 ? 11.488 16.219 8.608 1.00 27.76 ? 827 TYR A CB 1 \nATOM 994 C CG . TYR A 1 135 ? 10.671 16.810 7.495 1.00 26.46 ? 827 TYR A CG 1 \nATOM 995 C CD1 . TYR A 1 135 ? 9.442 16.223 7.089 1.00 28.24 ? 827 TYR A CD1 1 \nATOM 996 C CD2 . TYR A 1 135 ? 11.074 17.986 6.891 1.00 26.58 ? 827 TYR A CD2 1 \nATOM 997 C CE1 . TYR A 1 135 ? 8.711 16.792 6.051 1.00 24.43 ? 827 TYR A CE1 1 \nATOM 998 C CE2 . TYR A 1 135 ? 10.380 18.533 5.846 1.00 24.77 ? 827 TYR A CE2 1 \nATOM 999 C CZ . TYR A 1 135 ? 9.154 17.955 5.472 1.00 29.96 ? 827 TYR A CZ 1 \nATOM 1000 O OH . TYR A 1 135 ? 8.510 18.524 4.443 1.00 28.47 ? 827 TYR A OH 1 \nATOM 1001 N N . LEU A 1 136 ? 14.400 16.619 7.395 1.00 28.36 ? 828 LEU A N 1 \nATOM 1002 C CA . LEU A 1 136 ? 15.313 17.165 6.391 1.00 30.91 ? 828 LEU A CA 1 \nATOM 1003 C C . LEU A 1 136 ? 16.033 16.056 5.597 1.00 25.76 ? 828 LEU A C 1 \nATOM 1004 O O . LEU A 1 136 ? 16.242 16.188 4.400 1.00 24.44 ? 828 LEU A O 1 \nATOM 1005 C CB . LEU A 1 136 ? 16.298 18.149 7.029 1.00 24.38 ? 828 LEU A CB 1 \nATOM 1006 C CG . LEU A 1 136 ? 15.708 19.448 7.601 1.00 26.71 ? 828 LEU A CG 1 \nATOM 1007 C CD1 . LEU A 1 136 ? 16.776 20.314 8.270 1.00 34.46 ? 828 LEU A CD1 1 \nATOM 1008 C CD2 . LEU A 1 136 ? 15.025 20.236 6.478 1.00 32.58 ? 828 LEU A CD2 1 \nATOM 1009 N N . GLU A 1 137 ? 16.362 14.944 6.253 1.00 26.25 ? 829 GLU A N 1 \nATOM 1010 C CA . GLU A 1 137 ? 17.037 13.848 5.551 1.00 25.11 ? 829 GLU A CA 1 \nATOM 1011 C C . GLU A 1 137 ? 16.085 13.197 4.524 1.00 28.25 ? 829 GLU A C 1 \nATOM 1012 O O . GLU A 1 137 ? 16.466 12.860 3.407 1.00 26.58 ? 829 GLU A O 1 \nATOM 1013 C CB . GLU A 1 137 ? 17.688 12.862 6.540 1.00 24.51 ? 829 GLU A CB 1 \nATOM 1014 C CG . GLU A 1 137 ? 18.425 11.676 5.898 1.00 30.84 ? 829 GLU A CG 1 \nATOM 1015 C CD . GLU A 1 137 ? 19.136 10.739 6.887 1.00 29.05 ? 829 GLU A CD 1 \nATOM 1016 O OE1 . GLU A 1 137 ? 19.042 10.932 8.126 1.00 33.17 ? 829 GLU A OE1 1 \nATOM 1017 O OE2 . GLU A 1 137 ? 19.758 9.762 6.413 1.00 25.79 ? 829 GLU A OE2 1 \nATOM 1018 N N . ASP A 1 138 ? 14.822 13.067 4.895 1.00 28.69 ? 830 ASP A N 1 \nATOM 1019 C CA . ASP A 1 138 ? 13.805 12.642 3.916 1.00 32.95 ? 830 ASP A CA 1 \nATOM 1020 C C . ASP A 1 138 ? 13.687 13.610 2.727 1.00 30.22 ? 830 ASP A C 1 \nATOM 1021 O O . ASP A 1 138 ? 13.474 13.181 1.591 1.00 31.90 ? 830 ASP A O 1 \nATOM 1022 C CB . ASP A 1 138 ? 12.453 12.404 4.600 1.00 30.71 ? 830 ASP A CB 1 \nATOM 1023 C CG . ASP A 1 138 ? 12.429 11.120 5.445 1.00 33.56 ? 830 ASP A CG 1 \nATOM 1024 O OD1 . ASP A 1 138 ? 11.726 11.097 6.469 1.00 33.94 ? 830 ASP A OD1 1 \nATOM 1025 O OD2 . ASP A 1 138 ? 13.131 10.142 5.116 1.00 34.53 ? 830 ASP A OD2 1 \nATOM 1026 N N . ARG A 1 139 ? 13.844 14.905 2.985 1.00 24.69 ? 831 ARG A N 1 \nATOM 1027 C CA . ARG A 1 139 ? 13.849 15.901 1.922 1.00 27.76 ? 831 ARG A CA 1 \nATOM 1028 C C . ARG A 1 139 ? 15.213 15.968 1.207 1.00 30.75 ? 831 ARG A C 1 \nATOM 1029 O O . ARG A 1 139 ? 15.390 16.755 0.314 1.00 33.68 ? 831 ARG A O 1 \nATOM 1030 C CB . ARG A 1 139 ? 13.443 17.294 2.460 1.00 31.23 ? 831 ARG A CB 1 \nATOM 1031 C CG . ARG A 1 139 ? 11.941 17.456 2.717 1.00 48.98 ? 831 ARG A CG 1 \nATOM 1032 C CD . ARG A 1 139 ? 11.132 17.048 1.486 1.00 54.64 ? 831 ARG A CD 1 \nATOM 1033 N NE . ARG A 1 139 ? 9.727 17.486 1.420 1.00 61.13 ? 831 ARG A NE 1 \nATOM 1034 C CZ . ARG A 1 139 ? 9.329 18.755 1.320 1.00 57.98 ? 831 ARG A CZ 1 \nATOM 1035 N NH1 . ARG A 1 139 ? 8.030 19.054 1.222 1.00 43.34 ? 831 ARG A NH1 1 \nATOM 1036 N NH2 . ARG A 1 139 ? 10.224 19.734 1.332 1.00 75.24 ? 831 ARG A NH2 1 \nATOM 1037 N N . ARG A 1 140 ? 16.169 15.134 1.608 1.00 32.01 ? 832 ARG A N 1 \nATOM 1038 C CA . ARG A 1 140 ? 17.523 15.181 0.987 1.00 25.88 ? 832 ARG A CA 1 \nATOM 1039 C C . ARG A 1 140 ? 18.165 16.581 1.055 1.00 26.82 ? 832 ARG A C 1 \nATOM 1040 O O . ARG A 1 140 ? 18.870 17.014 0.144 1.00 39.99 ? 832 ARG A O 1 \nATOM 1041 C CB . ARG A 1 140 ? 17.481 14.595 -0.449 1.00 26.75 ? 832 ARG A CB 1 \nATOM 1042 C CG . ARG A 1 140 ? 16.852 13.203 -0.493 1.00 38.69 ? 832 ARG A CG 1 \nATOM 1043 C CD . ARG A 1 140 ? 16.749 12.615 -1.901 1.00 44.66 ? 832 ARG A CD 1 \nATOM 1044 N NE . ARG A 1 140 ? 18.060 12.375 -2.490 1.00 43.81 ? 832 ARG A NE 1 \nATOM 1045 C CZ . ARG A 1 140 ? 18.292 12.142 -3.782 1.00 59.18 ? 832 ARG A CZ 1 \nATOM 1046 N NH1 . ARG A 1 140 ? 19.539 11.932 -4.198 1.00 65.97 ? 832 ARG A NH1 1 \nATOM 1047 N NH2 . ARG A 1 140 ? 17.295 12.120 -4.663 1.00 52.24 ? 832 ARG A NH2 1 \nATOM 1048 N N . LEU A 1 141 ? 17.972 17.251 2.186 1.00 27.81 ? 833 LEU A N 1 \nATOM 1049 C CA . LEU A 1 141 ? 18.510 18.577 2.418 1.00 34.21 ? 833 LEU A CA 1 \nATOM 1050 C C . LEU A 1 141 ? 19.449 18.523 3.624 1.00 34.74 ? 833 LEU A C 1 \nATOM 1051 O O . LEU A 1 141 ? 18.999 18.429 4.771 1.00 30.53 ? 833 LEU A O 1 \nATOM 1052 C CB . LEU A 1 141 ? 17.364 19.579 2.657 1.00 34.42 ? 833 LEU A CB 1 \nATOM 1053 C CG . LEU A 1 141 ? 17.613 21.095 2.539 1.00 38.35 ? 833 LEU A CG 1 \nATOM 1054 C CD1 . LEU A 1 141 ? 16.355 21.860 2.907 1.00 47.96 ? 833 LEU A CD1 1 \nATOM 1055 C CD2 . LEU A 1 141 ? 18.768 21.594 3.393 1.00 52.23 ? 833 LEU A CD2 1 \nATOM 1056 N N . VAL A 1 142 ? 20.755 18.551 3.363 1.00 26.72 ? 834 VAL A N 1 \nATOM 1057 C CA . VAL A 1 142 ? 21.728 18.644 4.437 1.00 25.51 ? 834 VAL A CA 1 \nATOM 1058 C C . VAL A 1 142 ? 21.700 20.057 5.048 1.00 23.33 ? 834 VAL A C 1 \nATOM 1059 O O . VAL A 1 142 ? 21.694 21.057 4.313 1.00 28.02 ? 834 VAL A O 1 \nATOM 1060 C CB . VAL A 1 142 ? 23.156 18.309 3.917 1.00 25.87 ? 834 VAL A CB 1 \nATOM 1061 C CG1 . VAL A 1 142 ? 24.100 18.192 5.115 1.00 23.90 ? 834 VAL A CG1 1 \nATOM 1062 C CG2 . VAL A 1 142 ? 23.119 16.992 3.141 1.00 28.31 ? 834 VAL A CG2 1 \nATOM 1063 N N . HIS A 1 143 ? 21.660 20.124 6.381 1.00 24.32 ? 835 HIS A N 1 \nATOM 1064 C CA . HIS A 1 143 ? 21.506 21.383 7.113 1.00 23.28 ? 835 HIS A CA 1 \nATOM 1065 C C . HIS A 1 143 ? 22.785 22.162 6.940 1.00 27.03 ? 835 HIS A C 1 \nATOM 1066 O O . HIS A 1 143 ? 22.813 23.290 6.411 1.00 26.76 ? 835 HIS A O 1 \nATOM 1067 C CB . HIS A 1 143 ? 21.277 21.097 8.607 1.00 22.96 ? 835 HIS A CB 1 \nATOM 1068 C CG . HIS A 1 143 ? 20.801 22.288 9.388 1.00 25.87 ? 835 HIS A CG 1 \nATOM 1069 N ND1 . HIS A 1 143 ? 21.552 23.426 9.550 1.00 25.72 ? 835 HIS A ND1 1 \nATOM 1070 C CD2 . HIS A 1 143 ? 19.625 22.522 10.030 1.00 29.70 ? 835 HIS A CD2 1 \nATOM 1071 C CE1 . HIS A 1 143 ? 20.875 24.313 10.264 1.00 26.78 ? 835 HIS A CE1 1 \nATOM 1072 N NE2 . HIS A 1 143 ? 19.701 23.783 10.576 1.00 27.19 ? 835 HIS A NE2 1 \nATOM 1073 N N . ARG A 1 144 ? 23.853 21.527 7.386 1.00 25.53 ? 836 ARG A N 1 \nATOM 1074 C CA . ARG A 1 144 ? 25.221 22.123 7.370 1.00 24.68 ? 836 ARG A CA 1 \nATOM 1075 C C . ARG A 1 144 ? 25.537 23.182 8.437 1.00 30.73 ? 836 ARG A C 1 \nATOM 1076 O O . ARG A 1 144 ? 26.695 23.623 8.533 1.00 31.37 ? 836 ARG A O 1 \nATOM 1077 C CB . ARG A 1 144 ? 25.601 22.653 5.966 1.00 29.95 ? 836 ARG A CB 1 \nATOM 1078 C CG . ARG A 1 144 ? 25.531 21.613 4.858 1.00 29.36 ? 836 ARG A CG 1 \nATOM 1079 C CD . ARG A 1 144 ? 25.842 22.225 3.503 1.00 35.72 ? 836 ARG A CD 1 \nATOM 1080 N NE . ARG A 1 144 ? 25.737 21.236 2.426 1.00 35.96 ? 836 ARG A NE 1 \nATOM 1081 C CZ . ARG A 1 144 ? 24.613 20.915 1.795 1.00 42.66 ? 836 ARG A CZ 1 \nATOM 1082 N NH1 . ARG A 1 144 ? 23.454 21.500 2.119 1.00 43.85 ? 836 ARG A NH1 1 \nATOM 1083 N NH2 . ARG A 1 144 ? 24.655 20.006 0.825 1.00 45.95 ? 836 ARG A NH2 1 \nATOM 1084 N N . ASP A 1 145 ? 24.564 23.573 9.252 1.00 28.01 ? 837 ASP A N 1 \nATOM 1085 C CA . ASP A 1 145 ? 24.814 24.539 10.330 1.00 30.26 ? 837 ASP A CA 1 \nATOM 1086 C C . ASP A 1 145 ? 23.893 24.288 11.553 1.00 24.80 ? 837 ASP A C 1 \nATOM 1087 O O . ASP A 1 145 ? 23.436 25.220 12.215 1.00 27.76 ? 837 ASP A O 1 \nATOM 1088 C CB . ASP A 1 145 ? 24.667 25.972 9.766 1.00 35.19 ? 837 ASP A CB 1 \nATOM 1089 C CG . ASP A 1 145 ? 25.123 27.070 10.730 1.00 39.72 ? 837 ASP A CG 1 \nATOM 1090 O OD1 . ASP A 1 145 ? 24.630 28.217 10.587 1.00 39.41 ? 837 ASP A OD1 1 \nATOM 1091 O OD2 . ASP A 1 145 ? 25.968 26.824 11.608 1.00 39.11 ? 837 ASP A OD2 1 \nATOM 1092 N N . LEU A 1 146 ? 23.664 23.019 11.894 1.00 22.90 ? 838 LEU A N 1 \nATOM 1093 C CA . LEU A 1 146 ? 22.936 22.738 13.109 1.00 26.01 ? 838 LEU A CA 1 \nATOM 1094 C C . LEU A 1 146 ? 23.734 23.109 14.359 1.00 31.57 ? 838 LEU A C 1 \nATOM 1095 O O . LEU A 1 146 ? 24.933 22.815 14.484 1.00 23.80 ? 838 LEU A O 1 \nATOM 1096 C CB . LEU A 1 146 ? 22.428 21.289 13.139 1.00 23.02 ? 838 LEU A CB 1 \nATOM 1097 C CG . LEU A 1 146 ? 21.594 20.979 14.380 1.00 21.58 ? 838 LEU A CG 1 \nATOM 1098 C CD1 . LEU A 1 146 ? 20.220 21.710 14.325 1.00 23.98 ? 838 LEU A CD1 1 \nATOM 1099 C CD2 . LEU A 1 146 ? 21.381 19.486 14.377 1.00 26.15 ? 838 LEU A CD2 1 \nATOM 1100 N N . ALA A 1 147 ? 23.056 23.809 15.260 1.00 25.46 ? 839 ALA A N 1 \nATOM 1101 C CA . ALA A 1 147 ? 23.624 24.344 16.489 1.00 26.75 ? 839 ALA A CA 1 \nATOM 1102 C C . ALA A 1 147 ? 22.450 24.802 17.349 1.00 26.96 ? 839 ALA A C 1 \nATOM 1103 O O . ALA A 1 147 ? 21.368 25.075 16.818 1.00 27.56 ? 839 ALA A O 1 \nATOM 1104 C CB . ALA A 1 147 ? 24.560 25.503 16.172 1.00 26.89 ? 839 ALA A CB 1 \nATOM 1105 N N . ALA A 1 148 ? 22.647 24.874 18.660 1.00 25.41 ? 840 ALA A N 1 \nATOM 1106 C CA . ALA A 1 148 ? 21.586 25.344 19.568 1.00 28.19 ? 840 ALA A CA 1 \nATOM 1107 C C . ALA A 1 148 ? 21.088 26.729 19.178 1.00 32.62 ? 840 ALA A C 1 \nATOM 1108 O O . ALA A 1 148 ? 19.888 27.022 19.337 1.00 26.09 ? 840 ALA A O 1 \nATOM 1109 C CB . ALA A 1 148 ? 22.036 25.315 21.015 1.00 31.55 ? 840 ALA A CB 1 \nATOM 1110 N N . ARG A 1 149 ? 21.988 27.573 18.667 1.00 26.53 ? 841 ARG A N 1 \nATOM 1111 C CA . ARG A 1 149 ? 21.564 28.878 18.116 1.00 33.68 ? 841 ARG A CA 1 \nATOM 1112 C C . ARG A 1 149 ? 20.540 28.815 16.971 1.00 29.87 ? 841 ARG A C 1 \nATOM 1113 O O . ARG A 1 149 ? 19.785 29.780 16.780 1.00 30.30 ? 841 ARG A O 1 \nATOM 1114 C CB . ARG A 1 149 ? 22.764 29.723 17.692 1.00 28.34 ? 841 ARG A CB 1 \nATOM 1115 C CG . ARG A 1 149 ? 23.404 29.295 16.373 1.00 26.85 ? 841 ARG A CG 1 \nATOM 1116 C CD . ARG A 1 149 ? 24.776 29.947 16.162 1.00 29.53 ? 841 ARG A CD 1 \nATOM 1117 N NE . ARG A 1 149 ? 25.422 29.243 15.073 1.00 31.29 ? 841 ARG A NE 1 \nATOM 1118 C CZ . ARG A 1 149 ? 26.341 28.302 15.254 1.00 39.55 ? 841 ARG A CZ 1 \nATOM 1119 N NH1 . ARG A 1 149 ? 26.771 28.031 16.482 1.00 34.98 ? 841 ARG A NH1 1 \nATOM 1120 N NH2 . ARG A 1 149 ? 26.851 27.654 14.208 1.00 34.16 ? 841 ARG A NH2 1 \nATOM 1121 N N . ASN A 1 150 ? 20.510 27.690 16.239 1.00 27.08 ? 842 ASN A N 1 \nATOM 1122 C CA . ASN A 1 150 ? 19.637 27.487 15.083 1.00 30.03 ? 842 ASN A CA 1 \nATOM 1123 C C . ASN A 1 150 ? 18.422 26.601 15.370 1.00 24.67 ? 842 ASN A C 1 \nATOM 1124 O O . ASN A 1 150 ? 17.845 25.978 14.469 1.00 27.99 ? 842 ASN A O 1 \nATOM 1125 C CB . ASN A 1 150 ? 20.435 27.010 13.873 1.00 29.06 ? 842 ASN A CB 1 \nATOM 1126 C CG . ASN A 1 150 ? 21.262 28.134 13.254 1.00 37.72 ? 842 ASN A CG 1 \nATOM 1127 O OD1 . ASN A 1 150 ? 20.864 29.305 13.306 1.00 30.50 ? 842 ASN A OD1 1 \nATOM 1128 N ND2 . ASN A 1 150 ? 22.422 27.794 12.679 1.00 29.81 ? 842 ASN A ND2 1 \nATOM 1129 N N . VAL A 1 151 ? 18.136 26.486 16.658 1.00 23.76 ? 843 VAL A N 1 \nATOM 1130 C CA . VAL A 1 151 ? 16.903 25.867 17.159 1.00 30.91 ? 843 VAL A CA 1 \nATOM 1131 C C . VAL A 1 151 ? 16.114 26.985 17.836 1.00 31.47 ? 843 VAL A C 1 \nATOM 1132 O O . VAL A 1 151 ? 16.638 27.662 18.721 1.00 31.89 ? 843 VAL A O 1 \nATOM 1133 C CB . VAL A 1 151 ? 17.212 24.725 18.140 1.00 27.97 ? 843 VAL A CB 1 \nATOM 1134 C CG1 . VAL A 1 151 ? 15.915 24.065 18.619 1.00 27.30 ? 843 VAL A CG1 1 \nATOM 1135 C CG2 . VAL A 1 151 ? 18.140 23.693 17.466 1.00 24.18 ? 843 VAL A CG2 1 \nATOM 1136 N N . LEU A 1 152 ? 14.852 27.149 17.445 1.00 31.01 ? 844 LEU A N 1 \nATOM 1137 C CA . LEU A 1 152 ? 14.016 28.272 17.951 1.00 28.78 ? 844 LEU A CA 1 \nATOM 1138 C C . LEU A 1 152 ? 12.878 27.747 18.798 1.00 31.95 ? 844 LEU A C 1 \nATOM 1139 O O . LEU A 1 152 ? 12.356 26.667 18.531 1.00 29.93 ? 844 LEU A O 1 \nATOM 1140 C CB . LEU A 1 152 ? 13.463 29.114 16.782 1.00 31.04 ? 844 LEU A CB 1 \nATOM 1141 C CG . LEU A 1 152 ? 14.521 29.764 15.877 1.00 31.25 ? 844 LEU A CG 1 \nATOM 1142 C CD1 . LEU A 1 152 ? 13.961 30.700 14.816 1.00 33.04 ? 844 LEU A CD1 1 \nATOM 1143 C CD2 . LEU A 1 152 ? 15.550 30.506 16.706 1.00 35.54 ? 844 LEU A CD2 1 \nATOM 1144 N N . VAL A 1 153 ? 12.508 28.516 19.819 1.00 33.45 ? 845 VAL A N 1 \nATOM 1145 C CA . VAL A 1 153 ? 11.410 28.169 20.722 1.00 37.40 ? 845 VAL A CA 1 \nATOM 1146 C C . VAL A 1 153 ? 10.050 28.660 20.197 1.00 39.79 ? 845 VAL A C 1 \nATOM 1147 O O . VAL A 1 153 ? 9.791 29.864 20.151 1.00 40.55 ? 845 VAL A O 1 \nATOM 1148 C CB . VAL A 1 153 ? 11.706 28.704 22.144 1.00 37.90 ? 845 VAL A CB 1 \nATOM 1149 C CG1 . VAL A 1 153 ? 10.598 28.332 23.123 1.00 34.42 ? 845 VAL A CG1 1 \nATOM 1150 C CG2 . VAL A 1 153 ? 13.046 28.162 22.639 1.00 34.23 ? 845 VAL A CG2 1 \nATOM 1151 N N . LYS A 1 154 ? 9.193 27.725 19.786 1.00 36.10 ? 846 LYS A N 1 \nATOM 1152 C CA . LYS A 1 154 ? 7.792 28.043 19.467 1.00 43.58 ? 846 LYS A CA 1 \nATOM 1153 C C . LYS A 1 154 ? 7.040 28.141 20.792 1.00 38.19 ? 846 LYS A C 1 \nATOM 1154 O O . LYS A 1 154 ? 6.412 29.158 21.072 1.00 44.16 ? 846 LYS A O 1 \nATOM 1155 C CB . LYS A 1 154 ? 7.146 27.007 18.536 1.00 37.43 ? 846 LYS A CB 1 \nATOM 1156 C CG . LYS A 1 154 ? 5.735 27.380 18.068 1.00 51.46 ? 846 LYS A CG 1 \nATOM 1157 C CD . LYS A 1 154 ? 5.003 26.147 17.561 1.00 57.04 ? 846 LYS A CD 1 \nATOM 1158 C CE . LYS A 1 154 ? 4.089 26.461 16.386 1.00 75.97 ? 846 LYS A CE 1 \nATOM 1159 N NZ . LYS A 1 154 ? 2.821 27.114 16.809 1.00 61.01 ? 846 LYS A NZ 1 \nATOM 1160 N N . THR A 1 155 ? 7.130 27.085 21.599 1.00 36.95 ? 847 THR A N 1 \nATOM 1161 C CA . THR A 1 155 ? 6.734 27.118 23.010 1.00 39.96 ? 847 THR A CA 1 \nATOM 1162 C C . THR A 1 155 ? 7.791 26.344 23.785 1.00 49.25 ? 847 THR A C 1 \nATOM 1163 O O . THR A 1 155 ? 8.513 25.553 23.189 1.00 46.91 ? 847 THR A O 1 \nATOM 1164 C CB . THR A 1 155 ? 5.344 26.477 23.270 1.00 42.03 ? 847 THR A CB 1 \nATOM 1165 O OG1 . THR A 1 155 ? 5.416 25.049 23.139 1.00 40.28 ? 847 THR A OG1 1 \nATOM 1166 C CG2 . THR A 1 155 ? 4.263 27.039 22.331 1.00 47.29 ? 847 THR A CG2 1 \nATOM 1167 N N . PRO A 1 156 ? 7.901 26.572 25.111 1.00 47.74 ? 848 PRO A N 1 \nATOM 1168 C CA . PRO A 1 156 ? 8.844 25.778 25.902 1.00 44.52 ? 848 PRO A CA 1 \nATOM 1169 C C . PRO A 1 156 ? 8.762 24.277 25.619 1.00 44.91 ? 848 PRO A C 1 \nATOM 1170 O O . PRO A 1 156 ? 9.757 23.575 25.766 1.00 45.92 ? 848 PRO A O 1 \nATOM 1171 C CB . PRO A 1 156 ? 8.410 26.061 27.339 1.00 47.17 ? 848 PRO A CB 1 \nATOM 1172 C CG . PRO A 1 156 ? 7.836 27.433 27.296 1.00 54.20 ? 848 PRO A CG 1 \nATOM 1173 C CD . PRO A 1 156 ? 7.324 27.679 25.899 1.00 53.60 ? 848 PRO A CD 1 \nATOM 1174 N N . GLN A 1 157 ? 7.596 23.779 25.211 1.00 43.27 ? 849 GLN A N 1 \nATOM 1175 C CA . GLN A 1 157 ? 7.475 22.347 24.901 1.00 42.19 ? 849 GLN A CA 1 \nATOM 1176 C C . GLN A 1 157 ? 7.481 22.009 23.389 1.00 42.64 ? 849 GLN A C 1 \nATOM 1177 O O . GLN A 1 157 ? 7.190 20.866 23.001 1.00 45.37 ? 849 GLN A O 1 \nATOM 1178 C CB . GLN A 1 157 ? 6.267 21.718 25.627 1.00 58.29 ? 849 GLN A CB 1 \nATOM 1179 C CG . GLN A 1 157 ? 4.961 22.504 25.555 1.00 66.43 ? 849 GLN A CG 1 \nATOM 1180 C CD . GLN A 1 157 ? 4.884 23.642 26.570 1.00 62.36 ? 849 GLN A CD 1 \nATOM 1181 O OE1 . GLN A 1 157 ? 4.609 24.782 26.211 1.00 63.71 ? 849 GLN A OE1 1 \nATOM 1182 N NE2 . GLN A 1 157 ? 5.141 23.334 27.838 1.00 63.07 ? 849 GLN A NE2 1 \nATOM 1183 N N . HIS A 1 158 ? 7.806 22.998 22.549 1.00 43.34 ? 850 HIS A N 1 \nATOM 1184 C CA . HIS A 1 158 ? 7.827 22.837 21.080 1.00 36.09 ? 850 HIS A CA 1 \nATOM 1185 C C . HIS A 1 158 ? 8.939 23.707 20.451 1.00 35.72 ? 850 HIS A C 1 \nATOM 1186 O O . HIS A 1 158 ? 8.834 24.935 20.398 1.00 38.30 ? 850 HIS A O 1 \nATOM 1187 C CB . HIS A 1 158 ? 6.465 23.232 20.495 1.00 47.52 ? 850 HIS A CB 1 \nATOM 1188 C CG . HIS A 1 158 ? 6.285 22.897 19.044 1.00 56.05 ? 850 HIS A CG 1 \nATOM 1189 N ND1 . HIS A 1 158 ? 5.061 22.545 18.513 1.00 67.56 ? 850 HIS A ND1 1 \nATOM 1190 C CD2 . HIS A 1 158 ? 7.165 22.862 18.013 1.00 46.60 ? 850 HIS A CD2 1 \nATOM 1191 C CE1 . HIS A 1 158 ? 5.195 22.314 17.219 1.00 61.32 ? 850 HIS A CE1 1 \nATOM 1192 N NE2 . HIS A 1 158 ? 6.461 22.497 16.891 1.00 50.10 ? 850 HIS A NE2 1 \nATOM 1193 N N . VAL A 1 159 ? 9.997 23.065 19.957 1.00 30.62 ? 851 VAL A N 1 \nATOM 1194 C CA . VAL A 1 159 ? 11.119 23.801 19.316 1.00 27.66 ? 851 VAL A CA 1 \nATOM 1195 C C . VAL A 1 159 ? 11.258 23.414 17.837 1.00 29.34 ? 851 VAL A C 1 \nATOM 1196 O O . VAL A 1 159 ? 10.790 22.339 17.409 1.00 37.31 ? 851 VAL A O 1 \nATOM 1197 C CB . VAL A 1 159 ? 12.459 23.615 20.093 1.00 27.08 ? 851 VAL A CB 1 \nATOM 1198 C CG1 . VAL A 1 159 ? 12.320 24.093 21.527 1.00 28.71 ? 851 VAL A CG1 1 \nATOM 1199 C CG2 . VAL A 1 159 ? 12.917 22.166 20.074 1.00 29.61 ? 851 VAL A CG2 1 \nATOM 1200 N N . LYS A 1 160 ? 11.848 24.295 17.049 1.00 25.66 ? 852 LYS A N 1 \nATOM 1201 C CA . LYS A 1 160 ? 11.927 24.130 15.593 1.00 29.99 ? 852 LYS A CA 1 \nATOM 1202 C C . LYS A 1 160 ? 13.322 24.502 15.084 1.00 31.41 ? 852 LYS A C 1 \nATOM 1203 O O . LYS A 1 160 ? 13.919 25.461 15.577 1.00 32.82 ? 852 LYS A O 1 \nATOM 1204 C CB . LYS A 1 160 ? 10.930 25.045 14.883 1.00 29.63 ? 852 LYS A CB 1 \nATOM 1205 C CG . LYS A 1 160 ? 9.481 24.848 15.301 1.00 35.70 ? 852 LYS A CG 1 \nATOM 1206 C CD . LYS A 1 160 ? 8.547 25.799 14.559 1.00 39.50 ? 852 LYS A CD 1 \nATOM 1207 C CE . LYS A 1 160 ? 8.240 25.299 13.156 1.00 45.39 ? 852 LYS A CE 1 \nATOM 1208 N NZ . LYS A 1 160 ? 7.134 26.073 12.523 1.00 54.24 ? 852 LYS A NZ 1 \nATOM 1209 N N . ILE A 1 161 ? 13.787 23.781 14.065 1.00 27.56 ? 853 ILE A N 1 \nATOM 1210 C CA . ILE A 1 161 ? 15.114 24.014 13.466 1.00 30.12 ? 853 ILE A CA 1 \nATOM 1211 C C . ILE A 1 161 ? 15.005 25.045 12.339 1.00 31.59 ? 853 ILE A C 1 \nATOM 1212 O O . ILE A 1 161 ? 14.017 25.067 11.596 1.00 31.70 ? 853 ILE A O 1 \nATOM 1213 C CB . ILE A 1 161 ? 15.695 22.700 12.885 1.00 25.76 ? 853 ILE A CB 1 \nATOM 1214 C CG1 . ILE A 1 161 ? 15.805 21.647 13.983 1.00 26.76 ? 853 ILE A CG1 1 \nATOM 1215 C CG2 . ILE A 1 161 ? 17.031 22.964 12.191 1.00 32.39 ? 853 ILE A CG2 1 \nATOM 1216 C CD1 . ILE A 1 161 ? 15.788 20.251 13.420 1.00 36.59 ? 853 ILE A CD1 1 \nATOM 1217 N N . THR A 1 162 ? 16.008 25.909 12.237 1.00 25.25 ? 854 THR A N 1 \nATOM 1218 C CA . THR A 1 162 ? 16.073 26.896 11.179 1.00 27.24 ? 854 THR A CA 1 \nATOM 1219 C C . THR A 1 162 ? 17.503 26.936 10.582 1.00 28.06 ? 854 THR A C 1 \nATOM 1220 O O . THR A 1 162 ? 18.380 26.227 11.069 1.00 31.74 ? 854 THR A O 1 \nATOM 1221 C CB . THR A 1 162 ? 15.656 28.302 11.705 1.00 24.66 ? 854 THR A CB 1 \nATOM 1222 O OG1 . THR A 1 162 ? 15.473 29.166 10.579 1.00 25.50 ? 854 THR A OG1 1 \nATOM 1223 C CG2 . THR A 1 162 ? 16.714 28.916 12.649 1.00 28.04 ? 854 THR A CG2 1 \nATOM 1224 N N . ASP A 1 163 ? 17.692 27.727 9.517 1.00 26.22 ? 855 ASP A N 1 \nATOM 1225 C CA . ASP A 1 163 ? 19.025 28.078 8.949 1.00 33.58 ? 855 ASP A CA 1 \nATOM 1226 C C . ASP A 1 163 ? 19.662 26.928 8.139 1.00 27.70 ? 855 ASP A C 1 \nATOM 1227 O O . ASP A 1 163 ? 20.866 26.952 7.856 1.00 41.67 ? 855 ASP A O 1 \nATOM 1228 C CB . ASP A 1 163 ? 19.977 28.578 10.059 1.00 34.40 ? 855 ASP A CB 1 \nATOM 1229 C CG . ASP A 1 163 ? 20.915 29.702 9.592 1.00 43.40 ? 855 ASP A CG 1 \nATOM 1230 O OD1 . ASP A 1 163 ? 20.500 30.546 8.761 1.00 40.77 ? 855 ASP A OD1 1 \nATOM 1231 O OD2 . ASP A 1 163 ? 22.072 29.765 10.083 1.00 42.67 ? 855 ASP A OD2 1 \nATOM 1232 N N . PHE A 1 164 ? 18.848 25.931 7.775 1.00 31.84 ? 856 PHE A N 1 \nATOM 1233 C CA . PHE A 1 164 ? 19.295 24.768 6.988 1.00 27.77 ? 856 PHE A CA 1 \nATOM 1234 C C . PHE A 1 164 ? 19.514 25.134 5.526 1.00 38.25 ? 856 PHE A C 1 \nATOM 1235 O O . PHE A 1 164 ? 18.707 25.862 4.918 1.00 35.00 ? 856 PHE A O 1 \nATOM 1236 C CB . PHE A 1 164 ? 18.299 23.609 7.116 1.00 31.72 ? 856 PHE A CB 1 \nATOM 1237 C CG . PHE A 1 164 ? 16.859 24.013 6.902 1.00 37.42 ? 856 PHE A CG 1 \nATOM 1238 C CD1 . PHE A 1 164 ? 16.058 24.398 7.982 1.00 39.39 ? 856 PHE A CD1 1 \nATOM 1239 C CD2 . PHE A 1 164 ? 16.313 24.012 5.628 1.00 35.12 ? 856 PHE A CD2 1 \nATOM 1240 C CE1 . PHE A 1 164 ? 14.722 24.772 7.786 1.00 33.38 ? 856 PHE A CE1 1 \nATOM 1241 C CE2 . PHE A 1 164 ? 14.977 24.374 5.431 1.00 41.41 ? 856 PHE A CE2 1 \nATOM 1242 C CZ . PHE A 1 164 ? 14.198 24.755 6.510 1.00 31.08 ? 856 PHE A CZ 1 \nATOM 1243 N N . GLY A 1 165 ? 20.622 24.655 4.960 1.00 31.90 ? 857 GLY A N 1 \nATOM 1244 C CA . GLY A 1 165 ? 20.859 24.804 3.519 1.00 31.25 ? 857 GLY A CA 1 \nATOM 1245 C C . GLY A 1 165 ? 21.491 26.110 3.089 1.00 35.22 ? 857 GLY A C 1 \nATOM 1246 O O . GLY A 1 165 ? 21.668 26.359 1.897 1.00 36.36 ? 857 GLY A O 1 \nATOM 1247 N N . LEU A 1 166 ? 21.834 26.959 4.051 1.00 36.41 ? 858 LEU A N 1 \nATOM 1248 C CA . LEU A 1 166 ? 22.374 28.251 3.733 1.00 33.90 ? 858 LEU A CA 1 \nATOM 1249 C C . LEU A 1 166 ? 23.850 28.082 3.359 1.00 36.55 ? 858 LEU A C 1 \nATOM 1250 O O . LEU A 1 166 ? 24.343 28.746 2.449 1.00 35.70 ? 858 LEU A O 1 \nATOM 1251 C CB . LEU A 1 166 ? 22.223 29.193 4.931 1.00 41.10 ? 858 LEU A CB 1 \nATOM 1252 C CG . LEU A 1 166 ? 22.171 30.700 4.704 1.00 43.83 ? 858 LEU A CG 1 \nATOM 1253 C CD1 . LEU A 1 166 ? 21.064 31.083 3.723 1.00 46.99 ? 858 LEU A CD1 1 \nATOM 1254 C CD2 . LEU A 1 166 ? 21.948 31.375 6.046 1.00 35.64 ? 858 LEU A CD2 1 \nATOM 1255 N N . ALA A 1 167 ? 24.532 27.169 4.052 1.00 35.60 ? 859 ALA A N 1 \nATOM 1256 C CA . ALA A 1 167 ? 25.942 26.925 3.767 1.00 37.84 ? 859 ALA A CA 1 \nATOM 1257 C C . ALA A 1 167 ? 26.099 26.444 2.330 1.00 40.12 ? 859 ALA A C 1 \nATOM 1258 O O . ALA A 1 167 ? 27.072 26.801 1.659 1.00 37.50 ? 859 ALA A O 1 \nATOM 1259 C CB . ALA A 1 167 ? 26.545 25.930 4.746 1.00 34.95 ? 859 ALA A CB 1 \nATOM 1260 N N . LYS A 1 168 ? 25.133 25.648 1.851 1.00 35.37 ? 860 LYS A N 1 \nATOM 1261 C CA . LYS A 1 168 ? 25.130 25.217 0.457 1.00 40.64 ? 860 LYS A CA 1 \nATOM 1262 C C . LYS A 1 168 ? 24.865 26.396 -0.464 1.00 37.43 ? 860 LYS A C 1 \nATOM 1263 O O . LYS A 1 168 ? 25.539 26.565 -1.475 1.00 43.25 ? 860 LYS A O 1 \nATOM 1264 C CB . LYS A 1 168 ? 24.093 24.118 0.194 1.00 47.18 ? 860 LYS A CB 1 \nATOM 1265 C CG . LYS A 1 168 ? 23.823 23.875 -1.292 1.00 52.81 ? 860 LYS A CG 1 \nATOM 1266 C CD . LYS A 1 168 ? 23.407 22.442 -1.573 1.00 54.14 ? 860 LYS A CD 1 \nATOM 1267 C CE . LYS A 1 168 ? 23.585 22.101 -3.044 1.00 65.94 ? 860 LYS A CE 1 \nATOM 1268 N NZ . LYS A 1 168 ? 23.618 20.628 -3.255 1.00 73.01 ? 860 LYS A NZ 1 \nATOM 1269 N N . LEU A 1 169 ? 23.869 27.198 -0.120 1.00 35.22 ? 861 LEU A N 1 \nATOM 1270 C CA . LEU A 1 169 ? 23.469 28.302 -0.989 1.00 42.52 ? 861 LEU A CA 1 \nATOM 1271 C C . LEU A 1 169 ? 24.635 29.262 -1.217 1.00 43.31 ? 861 LEU A C 1 \nATOM 1272 O O . LEU A 1 169 ? 24.785 29.824 -2.307 1.00 42.59 ? 861 LEU A O 1 \nATOM 1273 C CB . LEU A 1 169 ? 22.281 29.042 -0.379 1.00 45.30 ? 861 LEU A CB 1 \nATOM 1274 C CG . LEU A 1 169 ? 21.724 30.283 -1.079 1.00 60.80 ? 861 LEU A CG 1 \nATOM 1275 C CD1 . LEU A 1 169 ? 21.344 29.986 -2.523 1.00 74.68 ? 861 LEU A CD1 1 \nATOM 1276 C CD2 . LEU A 1 169 ? 20.527 30.808 -0.297 1.00 46.66 ? 861 LEU A CD2 1 \nATOM 1277 N N . LEU A 1 170 ? 25.458 29.422 -0.184 1.00 43.61 ? 862 LEU A N 1 \nATOM 1278 C CA . LEU A 1 170 ? 26.554 30.390 -0.192 1.00 47.31 ? 862 LEU A CA 1 \nATOM 1279 C C . LEU A 1 170 ? 27.869 29.821 -0.747 1.00 48.26 ? 862 LEU A C 1 \nATOM 1280 O O . LEU A 1 170 ? 28.882 30.523 -0.807 1.00 49.35 ? 862 LEU A O 1 \nATOM 1281 C CB . LEU A 1 170 ? 26.749 30.970 1.218 1.00 45.15 ? 862 LEU A CB 1 \nATOM 1282 C CG . LEU A 1 170 ? 25.676 31.944 1.740 1.00 45.97 ? 862 LEU A CG 1 \nATOM 1283 C CD1 . LEU A 1 170 ? 25.961 32.300 3.191 1.00 48.31 ? 862 LEU A CD1 1 \nATOM 1284 C CD2 . LEU A 1 170 ? 25.608 33.210 0.888 1.00 47.47 ? 862 LEU A CD2 1 \nATOM 1285 N N . GLY A 1 171 ? 27.853 28.549 -1.142 1.00 49.38 ? 863 GLY A N 1 \nATOM 1286 C CA . GLY A 1 171 ? 29.018 27.916 -1.781 1.00 45.16 ? 863 GLY A CA 1 \nATOM 1287 C C . GLY A 1 171 ? 30.128 27.447 -0.847 1.00 39.80 ? 863 GLY A C 1 \nATOM 1288 O O . GLY A 1 171 ? 31.286 27.311 -1.271 1.00 50.15 ? 863 GLY A O 1 \nATOM 1289 N N . ALA A 1 172 ? 29.787 27.166 0.413 1.00 40.85 ? 864 ALA A N 1 \nATOM 1290 C CA . ALA A 1 172 ? 30.789 26.748 1.398 1.00 42.57 ? 864 ALA A CA 1 \nATOM 1291 C C . ALA A 1 172 ? 31.329 25.336 1.148 1.00 38.79 ? 864 ALA A C 1 \nATOM 1292 O O . ALA A 1 172 ? 32.211 24.884 1.866 1.00 42.81 ? 864 ALA A O 1 \nATOM 1293 C CB . ALA A 1 172 ? 30.257 26.864 2.811 1.00 41.45 ? 864 ALA A CB 1 \nATOM 1294 N N . GLU A 1 173 ? 30.779 24.650 0.148 1.00 36.82 ? 865 GLU A N 1 \nATOM 1295 C CA . GLU A 1 173 ? 31.281 23.322 -0.252 1.00 44.30 ? 865 GLU A CA 1 \nATOM 1296 C C . GLU A 1 173 ? 32.377 23.443 -1.311 1.00 47.98 ? 865 GLU A C 1 \nATOM 1297 O O . GLU A 1 173 ? 32.982 22.444 -1.707 1.00 40.23 ? 865 GLU A O 1 \nATOM 1298 C CB . GLU A 1 173 ? 30.145 22.407 -0.761 1.00 41.00 ? 865 GLU A CB 1 \nATOM 1299 C CG . GLU A 1 173 ? 29.020 22.190 0.244 1.00 53.30 ? 865 GLU A CG 1 \nATOM 1300 C CD . GLU A 1 173 ? 28.086 21.053 -0.137 1.00 66.21 ? 865 GLU A CD 1 \nATOM 1301 O OE1 . GLU A 1 173 ? 27.442 20.512 0.782 1.00 56.09 ? 865 GLU A OE1 1 \nATOM 1302 O OE2 . GLU A 1 173 ? 27.997 20.692 -1.337 1.00 63.67 ? 865 GLU A OE2 1 \nATOM 1303 N N . GLU A 1 174 ? 32.612 24.670 -1.770 1.00 47.17 ? 866 GLU A N 1 \nATOM 1304 C CA . GLU A 1 174 ? 33.608 24.955 -2.807 1.00 46.40 ? 866 GLU A CA 1 \nATOM 1305 C C . GLU A 1 174 ? 34.700 25.832 -2.210 1.00 40.98 ? 866 GLU A C 1 \nATOM 1306 O O . GLU A 1 174 ? 34.497 26.450 -1.164 1.00 38.94 ? 866 GLU A O 1 \nATOM 1307 C CB . GLU A 1 174 ? 32.956 25.644 -4.019 1.00 46.22 ? 866 GLU A CB 1 \nATOM 1308 C CG . GLU A 1 174 ? 32.102 24.730 -4.897 1.00 54.50 ? 866 GLU A CG 1 \nATOM 1309 C CD . GLU A 1 174 ? 30.714 24.468 -4.337 1.00 68.80 ? 866 GLU A CD 1 \nATOM 1310 O OE1 . GLU A 1 174 ? 30.121 23.425 -4.688 1.00 79.63 ? 866 GLU A OE1 1 \nATOM 1311 O OE2 . GLU A 1 174 ? 30.206 25.299 -3.553 1.00 68.10 ? 866 GLU A OE2 1 \nATOM 1312 N N . LYS A 1 175 ? 35.854 25.893 -2.877 1.00 37.24 ? 867 LYS A N 1 \nATOM 1313 C CA . LYS A 1 175 ? 37.036 26.539 -2.313 1.00 47.53 ? 867 LYS A CA 1 \nATOM 1314 C C . LYS A 1 175 ? 36.911 28.067 -2.320 1.00 42.85 ? 867 LYS A C 1 \nATOM 1315 O O . LYS A 1 175 ? 37.482 28.740 -1.459 1.00 40.83 ? 867 LYS A O 1 \nATOM 1316 C CB . LYS A 1 175 ? 38.325 26.074 -3.037 1.00 37.61 ? 867 LYS A CB 1 \nATOM 1317 C CG . LYS A 1 175 ? 38.432 26.433 -4.517 1.00 41.83 ? 867 LYS A CG 1 \nATOM 1318 C CD . LYS A 1 175 ? 39.175 25.359 -5.323 1.00 39.74 ? 867 LYS A CD 1 \nATOM 1319 C CE . LYS A 1 175 ? 38.867 25.438 -6.819 1.00 39.65 ? 867 LYS A CE 1 \nATOM 1320 N NZ . LYS A 1 175 ? 37.395 25.435 -7.144 1.00 43.75 ? 867 LYS A NZ 1 \nATOM 1321 N N . GLU A 1 176 ? 36.150 28.584 -3.288 1.00 40.06 ? 868 GLU A N 1 \nATOM 1322 C CA . GLU A 1 176 ? 36.053 30.019 -3.559 1.00 46.64 ? 868 GLU A CA 1 \nATOM 1323 C C . GLU A 1 176 ? 35.553 30.809 -2.344 1.00 48.10 ? 868 GLU A C 1 \nATOM 1324 O O . GLU A 1 176 ? 36.168 31.809 -1.964 1.00 42.32 ? 868 GLU A O 1 \nATOM 1325 C CB . GLU A 1 176 ? 35.192 30.281 -4.806 1.00 51.74 ? 868 GLU A CB 1 \nATOM 1326 C CG . GLU A 1 176 ? 35.891 29.990 -6.136 1.00 53.17 ? 868 GLU A CG 1 \nATOM 1327 C CD . GLU A 1 176 ? 35.976 28.505 -6.493 1.00 55.69 ? 868 GLU A CD 1 \nATOM 1328 O OE1 . GLU A 1 176 ? 35.179 27.686 -5.971 1.00 42.46 ? 868 GLU A OE1 1 \nATOM 1329 O OE2 . GLU A 1 176 ? 36.850 28.153 -7.324 1.00 48.42 ? 868 GLU A OE2 1 \nATOM 1330 N N . TYR A 1 177 ? 34.454 30.346 -1.739 1.00 45.27 ? 869 TYR A N 1 \nATOM 1331 C CA . TYR A 1 177 ? 33.932 30.900 -0.471 1.00 44.49 ? 869 TYR A CA 1 \nATOM 1332 C C . TYR A 1 177 ? 35.024 31.102 0.592 1.00 48.57 ? 869 TYR A C 1 \nATOM 1333 O O . TYR A 1 177 ? 35.104 32.164 1.215 1.00 44.29 ? 869 TYR A O 1 \nATOM 1334 C CB . TYR A 1 177 ? 32.801 29.997 0.082 1.00 48.00 ? 869 TYR A CB 1 \nATOM 1335 C CG . TYR A 1 177 ? 32.241 30.446 1.420 1.00 43.34 ? 869 TYR A CG 1 \nATOM 1336 C CD1 . TYR A 1 177 ? 32.588 29.791 2.597 1.00 37.95 ? 869 TYR A CD1 1 \nATOM 1337 C CD2 . TYR A 1 177 ? 31.372 31.544 1.509 1.00 44.45 ? 869 TYR A CD2 1 \nATOM 1338 C CE1 . TYR A 1 177 ? 32.083 30.202 3.827 1.00 37.47 ? 869 TYR A CE1 1 \nATOM 1339 C CE2 . TYR A 1 177 ? 30.878 31.968 2.739 1.00 42.96 ? 869 TYR A CE2 1 \nATOM 1340 C CZ . TYR A 1 177 ? 31.234 31.291 3.891 1.00 42.37 ? 869 TYR A CZ 1 \nATOM 1341 O OH . TYR A 1 177 ? 30.756 31.702 5.118 1.00 42.81 ? 869 TYR A OH 1 \nATOM 1342 N N . HIS A 1 178 ? 35.870 30.090 0.777 1.00 42.45 ? 870 HIS A N 1 \nATOM 1343 C CA . HIS A 1 178 ? 36.910 30.105 1.819 1.00 39.96 ? 870 HIS A CA 1 \nATOM 1344 C C . HIS A 1 178 ? 38.101 30.984 1.432 1.00 48.03 ? 870 HIS A C 1 \nATOM 1345 O O . HIS A 1 178 ? 38.716 31.644 2.285 1.00 44.35 ? 870 HIS A O 1 \nATOM 1346 C CB . HIS A 1 178 ? 37.352 28.671 2.130 1.00 43.61 ? 870 HIS A CB 1 \nATOM 1347 C CG . HIS A 1 178 ? 36.249 27.816 2.689 1.00 45.24 ? 870 HIS A CG 1 \nATOM 1348 N ND1 . HIS A 1 178 ? 35.330 27.165 1.891 1.00 48.50 ? 870 HIS A ND1 1 \nATOM 1349 C CD2 . HIS A 1 178 ? 35.909 27.525 3.966 1.00 41.55 ? 870 HIS A CD2 1 \nATOM 1350 C CE1 . HIS A 1 178 ? 34.478 26.501 2.653 1.00 40.12 ? 870 HIS A CE1 1 \nATOM 1351 N NE2 . HIS A 1 178 ? 34.803 26.708 3.917 1.00 54.39 ? 870 HIS A NE2 1 \nATOM 1352 N N . ALA A 1 179 ? 38.424 30.987 0.142 1.00 48.53 ? 871 ALA A N 1 \nATOM 1353 C CA . ALA A 1 179 ? 39.483 31.851 -0.386 1.00 52.92 ? 871 ALA A CA 1 \nATOM 1354 C C . ALA A 1 179 ? 39.090 33.330 -0.289 1.00 57.64 ? 871 ALA A C 1 \nATOM 1355 O O . ALA A 1 179 ? 39.955 34.191 -0.122 1.00 49.04 ? 871 ALA A O 1 \nATOM 1356 C CB . ALA A 1 179 ? 39.812 31.468 -1.828 1.00 50.28 ? 871 ALA A CB 1 \nATOM 1357 N N . GLU A 1 180 ? 37.784 33.610 -0.363 1.00 52.01 ? 872 GLU A N 1 \nATOM 1358 C CA . GLU A 1 180 ? 37.262 34.982 -0.336 1.00 56.03 ? 872 GLU A CA 1 \nATOM 1359 C C . GLU A 1 180 ? 36.943 35.500 1.077 1.00 59.17 ? 872 GLU A C 1 \nATOM 1360 O O . GLU A 1 180 ? 36.239 36.500 1.231 1.00 61.85 ? 872 GLU A O 1 \nATOM 1361 C CB . GLU A 1 180 ? 36.029 35.099 -1.244 1.00 68.02 ? 872 GLU A CB 1 \nATOM 1362 C CG . GLU A 1 180 ? 36.346 35.099 -2.734 1.00 77.21 ? 872 GLU A CG 1 \nATOM 1363 C CD . GLU A 1 180 ? 35.157 34.711 -3.601 1.00 97.81 ? 872 GLU A CD 1 \nATOM 1364 O OE1 . GLU A 1 180 ? 34.010 35.092 -3.275 1.00 102.61 ? 872 GLU A OE1 1 \nATOM 1365 O OE2 . GLU A 1 180 ? 35.372 34.023 -4.622 1.00 97.00 ? 872 GLU A OE2 1 \nATOM 1366 N N . GLY A 1 181 ? 37.469 34.823 2.098 1.00 58.69 ? 873 GLY A N 1 \nATOM 1367 C CA . GLY A 1 181 ? 37.326 35.262 3.487 1.00 54.40 ? 873 GLY A CA 1 \nATOM 1368 C C . GLY A 1 181 ? 36.155 34.670 4.258 1.00 44.99 ? 873 GLY A C 1 \nATOM 1369 O O . GLY A 1 181 ? 35.994 34.948 5.449 1.00 46.72 ? 873 GLY A O 1 \nATOM 1370 N N . GLY A 1 182 ? 35.348 33.841 3.597 1.00 41.02 ? 874 GLY A N 1 \nATOM 1371 C CA . GLY A 1 182 ? 34.156 33.248 4.231 1.00 46.70 ? 874 GLY A CA 1 \nATOM 1372 C C . GLY A 1 182 ? 34.533 32.316 5.367 1.00 46.89 ? 874 GLY A C 1 \nATOM 1373 O O . GLY A 1 182 ? 35.565 31.640 5.303 1.00 38.65 ? 874 GLY A O 1 \nATOM 1374 N N . LYS A 1 183 ? 33.707 32.283 6.417 1.00 40.97 ? 875 LYS A N 1 \nATOM 1375 C CA . LYS A 1 183 ? 33.971 31.414 7.573 1.00 44.70 ? 875 LYS A CA 1 \nATOM 1376 C C . LYS A 1 183 ? 32.851 30.407 7.758 1.00 45.71 ? 875 LYS A C 1 \nATOM 1377 O O . LYS A 1 183 ? 31.728 30.605 7.264 1.00 42.27 ? 875 LYS A O 1 \nATOM 1378 C CB . LYS A 1 183 ? 34.153 32.227 8.861 1.00 57.63 ? 875 LYS A CB 1 \nATOM 1379 C CG . LYS A 1 183 ? 35.303 33.225 8.833 1.00 64.74 ? 875 LYS A CG 1 \nATOM 1380 C CD . LYS A 1 183 ? 36.627 32.601 9.255 1.00 68.35 ? 875 LYS A CD 1 \nATOM 1381 C CE . LYS A 1 183 ? 37.710 33.669 9.334 1.00 73.60 ? 875 LYS A CE 1 \nATOM 1382 N NZ . LYS A 1 183 ? 38.878 33.251 10.159 1.00 70.79 ? 875 LYS A NZ 1 \nATOM 1383 N N . VAL A 1 184 ? 33.178 29.320 8.449 1.00 41.20 ? 876 VAL A N 1 \nATOM 1384 C CA . VAL A 1 184 ? 32.211 28.241 8.736 1.00 40.30 ? 876 VAL A CA 1 \nATOM 1385 C C . VAL A 1 184 ? 32.294 27.905 10.232 1.00 36.00 ? 876 VAL A C 1 \nATOM 1386 O O . VAL A 1 184 ? 33.310 28.204 10.880 1.00 41.42 ? 876 VAL A O 1 \nATOM 1387 C CB . VAL A 1 184 ? 32.448 26.993 7.845 1.00 35.33 ? 876 VAL A CB 1 \nATOM 1388 C CG1 . VAL A 1 184 ? 31.864 27.218 6.452 1.00 38.11 ? 876 VAL A CG1 1 \nATOM 1389 C CG2 . VAL A 1 184 ? 33.937 26.669 7.743 1.00 40.25 ? 876 VAL A CG2 1 \nATOM 1390 N N . PRO A 1 185 ? 31.232 27.304 10.788 1.00 36.65 ? 877 PRO A N 1 \nATOM 1391 C CA . PRO A 1 185 ? 31.168 27.085 12.243 1.00 32.43 ? 877 PRO A CA 1 \nATOM 1392 C C . PRO A 1 185 ? 31.989 25.871 12.669 1.00 33.61 ? 877 PRO A C 1 \nATOM 1393 O O . PRO A 1 185 ? 31.446 24.822 12.981 1.00 29.15 ? 877 PRO A O 1 \nATOM 1394 C CB . PRO A 1 185 ? 29.664 26.864 12.491 1.00 35.69 ? 877 PRO A CB 1 \nATOM 1395 C CG . PRO A 1 185 ? 29.144 26.302 11.211 1.00 33.67 ? 877 PRO A CG 1 \nATOM 1396 C CD . PRO A 1 185 ? 29.979 26.910 10.106 1.00 41.66 ? 877 PRO A CD 1 \nATOM 1397 N N . ILE A 1 186 ? 33.310 26.025 12.729 1.00 27.90 ? 878 ILE A N 1 \nATOM 1398 C CA . ILE A 1 186 ? 34.195 24.889 12.915 1.00 32.46 ? 878 ILE A CA 1 \nATOM 1399 C C . ILE A 1 186 ? 33.910 24.020 14.142 1.00 28.85 ? 878 ILE A C 1 \nATOM 1400 O O . ILE A 1 186 ? 34.082 22.801 14.086 1.00 28.98 ? 878 ILE A O 1 \nATOM 1401 C CB . ILE A 1 186 ? 35.683 25.345 12.980 1.00 32.09 ? 878 ILE A CB 1 \nATOM 1402 C CG1 . ILE A 1 186 ? 36.148 25.881 11.621 1.00 36.30 ? 878 ILE A CG1 1 \nATOM 1403 C CG2 . ILE A 1 186 ? 36.569 24.207 13.469 1.00 32.69 ? 878 ILE A CG2 1 \nATOM 1404 C CD1 . ILE A 1 186 ? 36.435 24.842 10.543 1.00 39.95 ? 878 ILE A CD1 1 \nATOM 1405 N N . LYS A 1 187 ? 33.533 24.645 15.259 1.00 29.60 ? 879 LYS A N 1 \nATOM 1406 C CA . LYS A 1 187 ? 33.367 23.911 16.510 1.00 26.22 ? 879 LYS A CA 1 \nATOM 1407 C C . LYS A 1 187 ? 32.094 23.034 16.526 1.00 24.84 ? 879 LYS A C 1 \nATOM 1408 O O . LYS A 1 187 ? 31.891 22.260 17.448 1.00 28.78 ? 879 LYS A O 1 \nATOM 1409 C CB . LYS A 1 187 ? 33.430 24.858 17.716 1.00 28.83 ? 879 LYS A CB 1 \nATOM 1410 C CG . LYS A 1 187 ? 34.842 25.401 17.951 1.00 38.19 ? 879 LYS A CG 1 \nATOM 1411 C CD . LYS A 1 187 ? 34.830 26.562 18.934 1.00 40.19 ? 879 LYS A CD 1 \nATOM 1412 C CE . LYS A 1 187 ? 36.246 27.029 19.228 1.00 32.84 ? 879 LYS A CE 1 \nATOM 1413 N NZ . LYS A 1 187 ? 36.263 28.136 20.240 1.00 34.70 ? 879 LYS A NZ 1 \nATOM 1414 N N . TRP A 1 188 ? 31.280 23.157 15.489 1.00 24.85 ? 880 TRP A N 1 \nATOM 1415 C CA . TRP A 1 188 ? 30.110 22.292 15.307 1.00 31.64 ? 880 TRP A CA 1 \nATOM 1416 C C . TRP A 1 188 ? 30.306 21.259 14.183 1.00 30.59 ? 880 TRP A C 1 \nATOM 1417 O O . TRP A 1 188 ? 29.457 20.390 13.978 1.00 34.02 ? 880 TRP A O 1 \nATOM 1418 C CB . TRP A 1 188 ? 28.878 23.149 15.031 1.00 27.14 ? 880 TRP A CB 1 \nATOM 1419 C CG . TRP A 1 188 ? 28.339 23.795 16.290 1.00 28.73 ? 880 TRP A CG 1 \nATOM 1420 C CD1 . TRP A 1 188 ? 27.276 23.367 17.051 1.00 28.66 ? 880 TRP A CD1 1 \nATOM 1421 C CD2 . TRP A 1 188 ? 28.859 24.962 16.945 1.00 31.97 ? 880 TRP A CD2 1 \nATOM 1422 N NE1 . TRP A 1 188 ? 27.115 24.199 18.138 1.00 28.60 ? 880 TRP A NE1 1 \nATOM 1423 C CE2 . TRP A 1 188 ? 28.064 25.190 18.091 1.00 30.62 ? 880 TRP A CE2 1 \nATOM 1424 C CE3 . TRP A 1 188 ? 29.917 25.850 16.662 1.00 31.59 ? 880 TRP A CE3 1 \nATOM 1425 C CZ2 . TRP A 1 188 ? 28.291 26.276 18.965 1.00 31.23 ? 880 TRP A CZ2 1 \nATOM 1426 C CZ3 . TRP A 1 188 ? 30.154 26.923 17.542 1.00 30.88 ? 880 TRP A CZ3 1 \nATOM 1427 C CH2 . TRP A 1 188 ? 29.358 27.112 18.676 1.00 25.65 ? 880 TRP A CH2 1 \nATOM 1428 N N . MET A 1 189 ? 31.427 21.349 13.460 1.00 27.44 ? 881 MET A N 1 \nATOM 1429 C CA . MET A 1 189 ? 31.540 20.623 12.193 1.00 26.86 ? 881 MET A CA 1 \nATOM 1430 C C . MET A 1 189 ? 32.150 19.249 12.353 1.00 28.50 ? 881 MET A C 1 \nATOM 1431 O O . MET A 1 189 ? 33.062 19.068 13.159 1.00 28.72 ? 881 MET A O 1 \nATOM 1432 C CB . MET A 1 189 ? 32.326 21.432 11.154 1.00 29.39 ? 881 MET A CB 1 \nATOM 1433 C CG . MET A 1 189 ? 31.563 22.600 10.554 1.00 32.10 ? 881 MET A CG 1 \nATOM 1434 S SD . MET A 1 189 ? 32.705 23.710 9.728 1.00 36.98 ? 881 MET A SD 1 \nATOM 1435 C CE . MET A 1 189 ? 33.274 22.696 8.370 1.00 32.20 ? 881 MET A CE 1 \nATOM 1436 N N . ALA A 1 190 ? 31.666 18.280 11.573 1.00 27.59 ? 882 ALA A N 1 \nATOM 1437 C CA . ALA A 1 190 ? 32.274 16.941 11.583 1.00 23.42 ? 882 ALA A CA 1 \nATOM 1438 C C . ALA A 1 190 ? 33.701 17.054 11.025 1.00 26.24 ? 882 ALA A C 1 \nATOM 1439 O O . ALA A 1 190 ? 33.983 17.914 10.193 1.00 25.83 ? 882 ALA A O 1 \nATOM 1440 C CB . ALA A 1 190 ? 31.483 15.966 10.710 1.00 21.36 ? 882 ALA A CB 1 \nATOM 1441 N N . LEU A 1 191 ? 34.575 16.153 11.432 1.00 29.23 ? 883 LEU A N 1 \nATOM 1442 C CA . LEU A 1 191 ? 35.973 16.210 10.953 1.00 30.11 ? 883 LEU A CA 1 \nATOM 1443 C C . LEU A 1 191 ? 36.095 16.155 9.415 1.00 31.93 ? 883 LEU A C 1 \nATOM 1444 O O . LEU A 1 191 ? 36.886 16.913 8.820 1.00 28.83 ? 883 LEU A O 1 \nATOM 1445 C CB . LEU A 1 191 ? 36.804 15.101 11.603 1.00 29.10 ? 883 LEU A CB 1 \nATOM 1446 C CG . LEU A 1 191 ? 38.327 15.214 11.398 1.00 28.93 ? 883 LEU A CG 1 \nATOM 1447 C CD1 . LEU A 1 191 ? 38.797 16.632 11.665 1.00 33.97 ? 883 LEU A CD1 1 \nATOM 1448 C CD2 . LEU A 1 191 ? 39.017 14.211 12.293 1.00 29.31 ? 883 LEU A CD2 1 \nATOM 1449 N N . GLU A 1 192 ? 35.311 15.288 8.761 1.00 21.95 ? 884 GLU A N 1 \nATOM 1450 C CA . GLU A 1 192 ? 35.344 15.209 7.296 1.00 22.92 ? 884 GLU A CA 1 \nATOM 1451 C C . GLU A 1 192 ? 34.876 16.508 6.591 1.00 26.17 ? 884 GLU A C 1 \nATOM 1452 O O . GLU A 1 192 ? 35.268 16.778 5.447 1.00 24.35 ? 884 GLU A O 1 \nATOM 1453 C CB . GLU A 1 192 ? 34.646 13.943 6.753 1.00 26.86 ? 884 GLU A CB 1 \nATOM 1454 C CG . GLU A 1 192 ? 33.105 13.951 6.895 1.00 27.94 ? 884 GLU A CG 1 \nATOM 1455 C CD . GLU A 1 192 ? 32.564 13.567 8.273 1.00 29.05 ? 884 GLU A CD 1 \nATOM 1456 O OE1 . GLU A 1 192 ? 33.301 13.408 9.265 1.00 25.06 ? 884 GLU A OE1 1 \nATOM 1457 O OE2 . GLU A 1 192 ? 31.319 13.447 8.409 1.00 23.90 ? 884 GLU A OE2 1 \nATOM 1458 N N . SER A 1 193 ? 34.033 17.294 7.263 1.00 30.81 ? 885 SER A N 1 \nATOM 1459 C CA . SER A 1 193 ? 33.587 18.585 6.721 1.00 25.73 ? 885 SER A CA 1 \nATOM 1460 C C . SER A 1 193 ? 34.723 19.608 6.802 1.00 27.51 ? 885 SER A C 1 \nATOM 1461 O O . SER A 1 193 ? 34.939 20.392 5.877 1.00 29.16 ? 885 SER A O 1 \nATOM 1462 C CB . SER A 1 193 ? 32.382 19.102 7.520 1.00 26.41 ? 885 SER A CB 1 \nATOM 1463 O OG . SER A 1 193 ? 31.330 18.146 7.461 1.00 29.44 ? 885 SER A OG 1 \nATOM 1464 N N . ILE A 1 194 ? 35.414 19.578 7.929 1.00 25.32 ? 886 ILE A N 1 \nATOM 1465 C CA . ILE A 1 194 ? 36.574 20.454 8.176 1.00 30.05 ? 886 ILE A CA 1 \nATOM 1466 C C . ILE A 1 194 ? 37.659 20.144 7.152 1.00 30.18 ? 886 ILE A C 1 \nATOM 1467 O O . ILE A 1 194 ? 38.150 21.055 6.475 1.00 32.84 ? 886 ILE A O 1 \nATOM 1468 C CB . ILE A 1 194 ? 37.110 20.303 9.615 1.00 36.22 ? 886 ILE A CB 1 \nATOM 1469 C CG1 . ILE A 1 194 ? 36.049 20.780 10.634 1.00 31.72 ? 886 ILE A CG1 1 \nATOM 1470 C CG2 . ILE A 1 194 ? 38.400 21.107 9.804 1.00 32.89 ? 886 ILE A CG2 1 \nATOM 1471 C CD1 . ILE A 1 194 ? 36.393 20.470 12.086 1.00 30.73 ? 886 ILE A CD1 1 \nATOM 1472 N N . LEU A 1 195 ? 37.993 18.853 6.989 1.00 31.51 ? 887 LEU A N 1 \nATOM 1473 C CA . LEU A 1 195 ? 39.125 18.443 6.148 1.00 34.19 ? 887 LEU A CA 1 \nATOM 1474 C C . LEU A 1 195 ? 38.849 18.409 4.655 1.00 36.04 ? 887 LEU A C 1 \nATOM 1475 O O . LEU A 1 195 ? 39.732 18.687 3.891 1.00 26.34 ? 887 LEU A O 1 \nATOM 1476 C CB . LEU A 1 195 ? 39.729 17.097 6.600 1.00 30.53 ? 887 LEU A CB 1 \nATOM 1477 C CG . LEU A 1 195 ? 40.150 17.042 8.077 1.00 39.64 ? 887 LEU A CG 1 \nATOM 1478 C CD1 . LEU A 1 195 ? 40.469 15.608 8.488 1.00 38.89 ? 887 LEU A CD1 1 \nATOM 1479 C CD2 . LEU A 1 195 ? 41.336 17.967 8.366 1.00 35.87 ? 887 LEU A CD2 1 \nATOM 1480 N N . HIS A 1 196 ? 37.628 18.086 4.233 1.00 26.10 ? 888 HIS A N 1 \nATOM 1481 C CA . HIS A 1 196 ? 37.369 17.835 2.818 1.00 24.98 ? 888 HIS A CA 1 \nATOM 1482 C C . HIS A 1 196 ? 36.058 18.409 2.302 1.00 28.24 ? 888 HIS A C 1 \nATOM 1483 O O . HIS A 1 196 ? 35.654 18.072 1.186 1.00 27.84 ? 888 HIS A O 1 \nATOM 1484 C CB . HIS A 1 196 ? 37.363 16.319 2.542 1.00 29.19 ? 888 HIS A CB 1 \nATOM 1485 C CG . HIS A 1 196 ? 38.705 15.681 2.728 1.00 31.15 ? 888 HIS A CG 1 \nATOM 1486 N ND1 . HIS A 1 196 ? 39.739 15.857 1.835 1.00 34.56 ? 888 HIS A ND1 1 \nATOM 1487 C CD2 . HIS A 1 196 ? 39.188 14.892 3.718 1.00 31.38 ? 888 HIS A CD2 1 \nATOM 1488 C CE1 . HIS A 1 196 ? 40.807 15.208 2.270 1.00 34.69 ? 888 HIS A CE1 1 \nATOM 1489 N NE2 . HIS A 1 196 ? 40.496 14.601 3.401 1.00 35.08 ? 888 HIS A NE2 1 \nATOM 1490 N N . ARG A 1 197 ? 35.422 19.255 3.114 1.00 25.02 ? 889 ARG A N 1 \nATOM 1491 C CA . ARG A 1 197 ? 34.179 19.942 2.731 1.00 32.39 ? 889 ARG A CA 1 \nATOM 1492 C C . ARG A 1 197 ? 33.118 18.923 2.370 1.00 26.78 ? 889 ARG A C 1 \nATOM 1493 O O . ARG A 1 197 ? 32.276 19.159 1.484 1.00 29.23 ? 889 ARG A O 1 \nATOM 1494 C CB . ARG A 1 197 ? 34.429 20.930 1.578 1.00 31.37 ? 889 ARG A CB 1 \nATOM 1495 C CG . ARG A 1 197 ? 35.516 21.943 1.891 1.00 33.25 ? 889 ARG A CG 1 \nATOM 1496 C CD . ARG A 1 197 ? 35.608 22.980 0.779 1.00 39.11 ? 889 ARG A CD 1 \nATOM 1497 N NE . ARG A 1 197 ? 36.544 24.044 1.105 1.00 37.65 ? 889 ARG A NE 1 \nATOM 1498 C CZ . ARG A 1 197 ? 37.701 24.266 0.468 1.00 46.93 ? 889 ARG A CZ 1 \nATOM 1499 N NH1 . ARG A 1 197 ? 38.074 23.526 -0.570 1.00 38.03 ? 889 ARG A NH1 1 \nATOM 1500 N NH2 . ARG A 1 197 ? 38.476 25.267 0.846 1.00 40.00 ? 889 ARG A NH2 1 \nATOM 1501 N N . ILE A 1 198 ? 33.175 17.774 3.039 1.00 26.13 ? 890 ILE A N 1 \nATOM 1502 C CA . ILE A 1 198 ? 32.145 16.730 2.876 1.00 29.66 ? 890 ILE A CA 1 \nATOM 1503 C C . ILE A 1 198 ? 31.018 17.016 3.855 1.00 26.43 ? 890 ILE A C 1 \nATOM 1504 O O . ILE A 1 198 ? 31.245 17.066 5.063 1.00 26.43 ? 890 ILE A O 1 \nATOM 1505 C CB . ILE A 1 198 ? 32.701 15.296 3.144 1.00 29.59 ? 890 ILE A CB 1 \nATOM 1506 C CG1 . ILE A 1 198 ? 33.716 14.901 2.071 1.00 34.56 ? 890 ILE A CG1 1 \nATOM 1507 C CG2 . ILE A 1 198 ? 31.564 14.262 3.147 1.00 26.41 ? 890 ILE A CG2 1 \nATOM 1508 C CD1 . ILE A 1 198 ? 34.686 13.798 2.502 1.00 27.38 ? 890 ILE A CD1 1 \nATOM 1509 N N . TYR A 1 199 ? 29.787 17.135 3.328 1.00 27.40 ? 891 TYR A N 1 \nATOM 1510 C CA . TYR A 1 199 ? 28.606 17.370 4.144 1.00 29.79 ? 891 TYR A CA 1 \nATOM 1511 C C . TYR A 1 199 ? 27.537 16.381 3.726 1.00 26.49 ? 891 TYR A C 1 \nATOM 1512 O O . TYR A 1 199 ? 27.188 16.314 2.550 1.00 29.21 ? 891 TYR A O 1 \nATOM 1513 C CB . TYR A 1 199 ? 28.046 18.756 3.884 1.00 31.16 ? 891 TYR A CB 1 \nATOM 1514 C CG . TYR A 1 199 ? 28.844 19.897 4.436 1.00 32.59 ? 891 TYR A CG 1 \nATOM 1515 C CD1 . TYR A 1 199 ? 28.639 20.341 5.751 1.00 30.54 ? 891 TYR A CD1 1 \nATOM 1516 C CD2 . TYR A 1 199 ? 29.797 20.548 3.648 1.00 32.80 ? 891 TYR A CD2 1 \nATOM 1517 C CE1 . TYR A 1 199 ? 29.363 21.411 6.254 1.00 37.58 ? 891 TYR A CE1 1 \nATOM 1518 C CE2 . TYR A 1 199 ? 30.514 21.623 4.141 1.00 34.48 ? 891 TYR A CE2 1 \nATOM 1519 C CZ . TYR A 1 199 ? 30.291 22.043 5.443 1.00 35.46 ? 891 TYR A CZ 1 \nATOM 1520 O OH . TYR A 1 199 ? 30.976 23.117 5.945 1.00 42.40 ? 891 TYR A OH 1 \nATOM 1521 N N . THR A 1 200 ? 27.092 15.591 4.699 1.00 27.14 ? 892 THR A N 1 \nATOM 1522 C CA . THR A 1 200 ? 26.052 14.573 4.503 1.00 28.00 ? 892 THR A CA 1 \nATOM 1523 C C . THR A 1 200 ? 25.132 14.670 5.688 1.00 24.99 ? 892 THR A C 1 \nATOM 1524 O O . THR A 1 200 ? 25.394 15.437 6.647 1.00 24.52 ? 892 THR A O 1 \nATOM 1525 C CB . THR A 1 200 ? 26.656 13.161 4.529 1.00 24.93 ? 892 THR A CB 1 \nATOM 1526 O OG1 . THR A 1 200 ? 27.152 12.906 5.842 1.00 26.37 ? 892 THR A OG1 1 \nATOM 1527 C CG2 . THR A 1 200 ? 27.808 13.012 3.492 1.00 29.56 ? 892 THR A CG2 1 \nATOM 1528 N N . HIS A 1 201 ? 24.060 13.868 5.664 1.00 26.44 ? 893 HIS A N 1 \nATOM 1529 C CA . HIS A 1 201 ? 23.230 13.753 6.839 1.00 29.70 ? 893 HIS A CA 1 \nATOM 1530 C C . HIS A 1 201 ? 23.987 13.219 8.061 1.00 24.12 ? 893 HIS A C 1 \nATOM 1531 O O . HIS A 1 201 ? 23.680 13.585 9.197 1.00 22.63 ? 893 HIS A O 1 \nATOM 1532 C CB . HIS A 1 201 ? 21.929 12.993 6.484 1.00 25.97 ? 893 HIS A CB 1 \nATOM 1533 C CG . HIS A 1 201 ? 21.172 13.679 5.386 1.00 27.52 ? 893 HIS A CG 1 \nATOM 1534 N ND1 . HIS A 1 201 ? 20.529 14.883 5.575 1.00 28.59 ? 893 HIS A ND1 1 \nATOM 1535 C CD2 . HIS A 1 201 ? 21.051 13.390 4.069 1.00 28.83 ? 893 HIS A CD2 1 \nATOM 1536 C CE1 . HIS A 1 201 ? 20.035 15.299 4.425 1.00 27.39 ? 893 HIS A CE1 1 \nATOM 1537 N NE2 . HIS A 1 201 ? 20.298 14.394 3.505 1.00 32.49 ? 893 HIS A NE2 1 \nATOM 1538 N N . GLN A 1 202 ? 25.059 12.470 7.828 1.00 26.66 ? 894 GLN A N 1 \nATOM 1539 C CA . GLN A 1 202 ? 25.919 11.997 8.926 1.00 29.47 ? 894 GLN A CA 1 \nATOM 1540 C C . GLN A 1 202 ? 26.906 13.056 9.499 1.00 26.86 ? 894 GLN A C 1 \nATOM 1541 O O . GLN A 1 202 ? 27.298 12.991 10.667 1.00 22.97 ? 894 GLN A O 1 \nATOM 1542 C CB . GLN A 1 202 ? 26.654 10.708 8.491 1.00 27.17 ? 894 GLN A CB 1 \nATOM 1543 C CG . GLN A 1 202 ? 25.705 9.525 8.192 1.00 24.91 ? 894 GLN A CG 1 \nATOM 1544 C CD . GLN A 1 202 ? 24.783 9.234 9.369 1.00 30.07 ? 894 GLN A CD 1 \nATOM 1545 O OE1 . GLN A 1 202 ? 23.581 9.588 9.349 1.00 27.00 ? 894 GLN A OE1 1 \nATOM 1546 N NE2 . GLN A 1 202 ? 25.334 8.605 10.418 1.00 27.72 ? 894 GLN A NE2 1 \nATOM 1547 N N . SER A 1 203 ? 27.288 14.034 8.695 1.00 24.14 ? 895 SER A N 1 \nATOM 1548 C CA . SER A 1 203 ? 27.927 15.211 9.257 1.00 27.27 ? 895 SER A CA 1 \nATOM 1549 C C . SER A 1 203 ? 26.958 16.056 10.075 1.00 27.74 ? 895 SER A C 1 \nATOM 1550 O O . SER A 1 203 ? 27.372 16.618 11.077 1.00 25.43 ? 895 SER A O 1 \nATOM 1551 C CB . SER A 1 203 ? 28.699 16.026 8.208 1.00 31.60 ? 895 SER A CB 1 \nATOM 1552 O OG . SER A 1 203 ? 27.862 16.621 7.234 1.00 25.89 ? 895 SER A OG 1 \nATOM 1553 N N . ASP A 1 204 ? 25.672 16.123 9.675 1.00 26.73 ? 896 ASP A N 1 \nATOM 1554 C CA . ASP A 1 204 ? 24.643 16.770 10.518 1.00 24.53 ? 896 ASP A CA 1 \nATOM 1555 C C . ASP A 1 204 ? 24.481 16.058 11.860 1.00 20.29 ? 896 ASP A C 1 \nATOM 1556 O O . ASP A 1 204 ? 24.275 16.687 12.887 1.00 22.46 ? 896 ASP A O 1 \nATOM 1557 C CB . ASP A 1 204 ? 23.246 16.817 9.833 1.00 28.43 ? 896 ASP A CB 1 \nATOM 1558 C CG . ASP A 1 204 ? 23.121 17.900 8.737 1.00 31.24 ? 896 ASP A CG 1 \nATOM 1559 O OD1 . ASP A 1 204 ? 22.115 17.834 7.982 1.00 27.91 ? 896 ASP A OD1 1 \nATOM 1560 O OD2 . ASP A 1 204 ? 23.997 18.781 8.573 1.00 26.34 ? 896 ASP A OD2 1 \nATOM 1561 N N . VAL A 1 205 ? 24.598 14.736 11.846 1.00 20.23 ? 897 VAL A N 1 \nATOM 1562 C CA . VAL A 1 205 ? 24.610 13.991 13.102 1.00 19.28 ? 897 VAL A CA 1 \nATOM 1563 C C . VAL A 1 205 ? 25.629 14.450 14.120 1.00 25.81 ? 897 VAL A C 1 \nATOM 1564 O O . VAL A 1 205 ? 25.320 14.560 15.295 1.00 22.78 ? 897 VAL A O 1 \nATOM 1565 C CB . VAL A 1 205 ? 24.658 12.448 12.868 1.00 19.54 ? 897 VAL A CB 1 \nATOM 1566 C CG1 . VAL A 1 205 ? 24.843 11.704 14.183 1.00 19.88 ? 897 VAL A CG1 1 \nATOM 1567 C CG2 . VAL A 1 205 ? 23.325 11.945 12.233 1.00 24.43 ? 897 VAL A CG2 1 \nATOM 1568 N N . TRP A 1 206 ? 26.864 14.693 13.659 1.00 21.20 ? 898 TRP A N 1 \nATOM 1569 C CA . TRP A 1 206 ? 27.927 15.223 14.521 1.00 24.82 ? 898 TRP A CA 1 \nATOM 1570 C C . TRP A 1 206 ? 27.505 16.541 15.151 1.00 23.28 ? 898 TRP A C 1 \nATOM 1571 O O . TRP A 1 206 ? 27.615 16.712 16.379 1.00 21.81 ? 898 TRP A O 1 \nATOM 1572 C CB . TRP A 1 206 ? 29.205 15.401 13.666 1.00 22.74 ? 898 TRP A CB 1 \nATOM 1573 C CG . TRP A 1 206 ? 30.380 15.970 14.398 1.00 20.42 ? 898 TRP A CG 1 \nATOM 1574 C CD1 . TRP A 1 206 ? 30.466 17.185 15.058 1.00 24.29 ? 898 TRP A CD1 1 \nATOM 1575 C CD2 . TRP A 1 206 ? 31.674 15.336 14.558 1.00 24.05 ? 898 TRP A CD2 1 \nATOM 1576 N NE1 . TRP A 1 206 ? 31.757 17.336 15.607 1.00 23.39 ? 898 TRP A NE1 1 \nATOM 1577 C CE2 . TRP A 1 206 ? 32.494 16.220 15.304 1.00 23.70 ? 898 TRP A CE2 1 \nATOM 1578 C CE3 . TRP A 1 206 ? 32.210 14.127 14.116 1.00 26.61 ? 898 TRP A CE3 1 \nATOM 1579 C CZ2 . TRP A 1 206 ? 33.837 15.910 15.635 1.00 27.97 ? 898 TRP A CZ2 1 \nATOM 1580 C CZ3 . TRP A 1 206 ? 33.568 13.828 14.425 1.00 27.65 ? 898 TRP A CZ3 1 \nATOM 1581 C CH2 . TRP A 1 206 ? 34.333 14.704 15.185 1.00 26.29 ? 898 TRP A CH2 1 \nATOM 1582 N N . SER A 1 207 ? 26.971 17.444 14.316 1.00 21.82 ? 899 SER A N 1 \nATOM 1583 C CA . SER A 1 207 ? 26.558 18.772 14.763 1.00 21.42 ? 899 SER A CA 1 \nATOM 1584 C C . SER A 1 207 ? 25.369 18.645 15.715 1.00 24.08 ? 899 SER A C 1 \nATOM 1585 O O . SER A 1 207 ? 25.228 19.457 16.652 1.00 23.02 ? 899 SER A O 1 \nATOM 1586 C CB . SER A 1 207 ? 26.142 19.636 13.571 1.00 22.79 ? 899 SER A CB 1 \nATOM 1587 O OG . SER A 1 207 ? 27.196 19.709 12.622 1.00 29.32 ? 899 SER A OG 1 \nATOM 1588 N N . TYR A 1 208 ? 24.551 17.615 15.484 1.00 24.08 ? 900 TYR A N 1 \nATOM 1589 C CA . TYR A 1 208 ? 23.474 17.266 16.443 1.00 22.45 ? 900 TYR A CA 1 \nATOM 1590 C C . TYR A 1 208 ? 24.039 16.904 17.797 1.00 24.83 ? 900 TYR A C 1 \nATOM 1591 O O . TYR A 1 208 ? 23.514 17.330 18.811 1.00 22.80 ? 900 TYR A O 1 \nATOM 1592 C CB . TYR A 1 208 ? 22.565 16.129 15.923 1.00 26.91 ? 900 TYR A CB 1 \nATOM 1593 C CG . TYR A 1 208 ? 21.483 15.683 16.918 1.00 24.64 ? 900 TYR A CG 1 \nATOM 1594 C CD1 . TYR A 1 208 ? 21.709 14.629 17.818 1.00 24.58 ? 900 TYR A CD1 1 \nATOM 1595 C CD2 . TYR A 1 208 ? 20.207 16.282 16.921 1.00 29.41 ? 900 TYR A CD2 1 \nATOM 1596 C CE1 . TYR A 1 208 ? 20.714 14.188 18.692 1.00 30.37 ? 900 TYR A CE1 1 \nATOM 1597 C CE2 . TYR A 1 208 ? 19.220 15.867 17.813 1.00 25.82 ? 900 TYR A CE2 1 \nATOM 1598 C CZ . TYR A 1 208 ? 19.472 14.819 18.694 1.00 30.20 ? 900 TYR A CZ 1 \nATOM 1599 O OH . TYR A 1 208 ? 18.495 14.386 19.571 1.00 29.23 ? 900 TYR A OH 1 \nATOM 1600 N N . GLY A 1 209 ? 25.144 16.142 17.822 1.00 25.68 ? 901 GLY A N 1 \nATOM 1601 C CA . GLY A 1 209 ? 25.756 15.748 19.096 1.00 23.98 ? 901 GLY A CA 1 \nATOM 1602 C C . GLY A 1 209 ? 26.223 17.007 19.827 1.00 24.33 ? 901 GLY A C 1 \nATOM 1603 O O . GLY A 1 209 ? 26.101 17.084 21.035 1.00 23.86 ? 901 GLY A O 1 \nATOM 1604 N N . VAL A 1 210 ? 26.818 17.960 19.086 1.00 25.05 ? 902 VAL A N 1 \nATOM 1605 C CA . VAL A 1 210 ? 27.315 19.214 19.683 1.00 21.83 ? 902 VAL A CA 1 \nATOM 1606 C C . VAL A 1 210 ? 26.114 20.019 20.243 1.00 24.08 ? 902 VAL A C 1 \nATOM 1607 O O . VAL A 1 210 ? 26.152 20.532 21.345 1.00 26.25 ? 902 VAL A O 1 \nATOM 1608 C CB . VAL A 1 210 ? 28.167 20.062 18.704 1.00 24.89 ? 902 VAL A CB 1 \nATOM 1609 C CG1 . VAL A 1 210 ? 28.771 21.289 19.420 1.00 26.81 ? 902 VAL A CG1 1 \nATOM 1610 C CG2 . VAL A 1 210 ? 29.308 19.223 18.111 1.00 22.20 ? 902 VAL A CG2 1 \nATOM 1611 N N . THR A 1 211 ? 25.058 20.097 19.457 1.00 23.91 ? 903 THR A N 1 \nATOM 1612 C CA . THR A 1 211 ? 23.826 20.789 19.902 1.00 24.59 ? 903 THR A CA 1 \nATOM 1613 C C . THR A 1 211 ? 23.306 20.220 21.235 1.00 20.47 ? 903 THR A C 1 \nATOM 1614 O O . THR A 1 211 ? 23.031 20.953 22.193 1.00 23.36 ? 903 THR A O 1 \nATOM 1615 C CB . THR A 1 211 ? 22.761 20.724 18.787 1.00 22.55 ? 903 THR A CB 1 \nATOM 1616 O OG1 . THR A 1 211 ? 23.273 21.268 17.569 1.00 24.10 ? 903 THR A OG1 1 \nATOM 1617 C CG2 . THR A 1 211 ? 21.429 21.492 19.168 1.00 24.23 ? 903 THR A CG2 1 \nATOM 1618 N N . VAL A 1 212 ? 23.170 18.901 21.300 1.00 22.65 ? 904 VAL A N 1 \nATOM 1619 C CA . VAL A 1 212 ? 22.729 18.231 22.517 1.00 24.32 ? 904 VAL A CA 1 \nATOM 1620 C C . VAL A 1 212 ? 23.639 18.562 23.686 1.00 29.53 ? 904 VAL A C 1 \nATOM 1621 O O . VAL A 1 212 ? 23.174 18.813 24.780 1.00 25.51 ? 904 VAL A O 1 \nATOM 1622 C CB . VAL A 1 212 ? 22.614 16.698 22.303 1.00 26.14 ? 904 VAL A CB 1 \nATOM 1623 C CG1 . VAL A 1 212 ? 22.367 15.967 23.621 1.00 32.14 ? 904 VAL A CG1 1 \nATOM 1624 C CG2 . VAL A 1 212 ? 21.469 16.388 21.352 1.00 29.78 ? 904 VAL A CG2 1 \nATOM 1625 N N . TRP A 1 213 ? 24.951 18.547 23.442 1.00 25.37 ? 905 TRP A N 1 \nATOM 1626 C CA . TRP A 1 213 ? 25.909 18.952 24.450 1.00 26.02 ? 905 TRP A CA 1 \nATOM 1627 C C . TRP A 1 213 ? 25.618 20.397 24.929 1.00 25.24 ? 905 TRP A C 1 \nATOM 1628 O O . TRP A 1 213 ? 25.647 20.692 26.122 1.00 25.58 ? 905 TRP A O 1 \nATOM 1629 C CB . TRP A 1 213 ? 27.344 18.846 23.879 1.00 27.12 ? 905 TRP A CB 1 \nATOM 1630 C CG . TRP A 1 213 ? 28.457 19.135 24.901 1.00 29.75 ? 905 TRP A CG 1 \nATOM 1631 C CD1 . TRP A 1 213 ? 29.071 18.227 25.727 1.00 29.86 ? 905 TRP A CD1 1 \nATOM 1632 C CD2 . TRP A 1 213 ? 29.059 20.406 25.194 1.00 29.09 ? 905 TRP A CD2 1 \nATOM 1633 N NE1 . TRP A 1 213 ? 30.016 18.857 26.518 1.00 27.53 ? 905 TRP A NE1 1 \nATOM 1634 C CE2 . TRP A 1 213 ? 30.038 20.187 26.202 1.00 31.67 ? 905 TRP A CE2 1 \nATOM 1635 C CE3 . TRP A 1 213 ? 28.896 21.705 24.680 1.00 29.99 ? 905 TRP A CE3 1 \nATOM 1636 C CZ2 . TRP A 1 213 ? 30.822 21.226 26.732 1.00 31.76 ? 905 TRP A CZ2 1 \nATOM 1637 C CZ3 . TRP A 1 213 ? 29.670 22.739 25.211 1.00 29.19 ? 905 TRP A CZ3 1 \nATOM 1638 C CH2 . TRP A 1 213 ? 30.632 22.487 26.218 1.00 31.16 ? 905 TRP A CH2 1 \nATOM 1639 N N . GLU A 1 214 ? 25.375 21.300 23.992 1.00 23.57 ? 906 GLU A N 1 \nATOM 1640 C CA . GLU A 1 214 ? 25.081 22.673 24.361 1.00 26.68 ? 906 GLU A CA 1 \nATOM 1641 C C . GLU A 1 214 ? 23.849 22.707 25.272 1.00 29.46 ? 906 GLU A C 1 \nATOM 1642 O O . GLU A 1 214 ? 23.811 23.439 26.244 1.00 30.72 ? 906 GLU A O 1 \nATOM 1643 C CB . GLU A 1 214 ? 24.731 23.494 23.126 1.00 29.21 ? 906 GLU A CB 1 \nATOM 1644 C CG . GLU A 1 214 ? 25.885 23.793 22.205 1.00 26.76 ? 906 GLU A CG 1 \nATOM 1645 C CD . GLU A 1 214 ? 25.419 24.646 21.045 1.00 26.29 ? 906 GLU A CD 1 \nATOM 1646 O OE1 . GLU A 1 214 ? 25.522 25.884 21.177 1.00 28.98 ? 906 GLU A OE1 1 \nATOM 1647 O OE2 . GLU A 1 214 ? 24.934 24.103 20.035 1.00 28.76 ? 906 GLU A OE2 1 \nATOM 1648 N N . LEU A 1 215 ? 22.852 21.897 24.946 1.00 28.88 ? 907 LEU A N 1 \nATOM 1649 C CA . LEU A 1 215 ? 21.629 21.859 25.737 1.00 31.17 ? 907 LEU A CA 1 \nATOM 1650 C C . LEU A 1 215 ? 21.876 21.375 27.176 1.00 30.41 ? 907 LEU A C 1 \nATOM 1651 O O . LEU A 1 215 ? 21.476 22.031 28.157 1.00 31.35 ? 907 LEU A O 1 \nATOM 1652 C CB . LEU A 1 215 ? 20.588 20.965 25.036 1.00 30.07 ? 907 LEU A CB 1 \nATOM 1653 C CG . LEU A 1 215 ? 20.073 21.493 23.692 1.00 29.46 ? 907 LEU A CG 1 \nATOM 1654 C CD1 . LEU A 1 215 ? 18.881 20.670 23.250 1.00 32.66 ? 907 LEU A CD1 1 \nATOM 1655 C CD2 . LEU A 1 215 ? 19.698 22.976 23.760 1.00 30.38 ? 907 LEU A CD2 1 \nATOM 1656 N N . MET A 1 216 ? 22.572 20.248 27.280 1.00 33.26 ? 908 MET A N 1 \nATOM 1657 C CA . MET A 1 216 ? 22.815 19.567 28.555 1.00 33.03 ? 908 MET A CA 1 \nATOM 1658 C C . MET A 1 216 ? 23.776 20.319 29.480 1.00 33.19 ? 908 MET A C 1 \nATOM 1659 O O . MET A 1 216 ? 23.833 20.034 30.667 1.00 32.50 ? 908 MET A O 1 \nATOM 1660 C CB . MET A 1 216 ? 23.378 18.162 28.308 1.00 29.57 ? 908 MET A CB 1 \nATOM 1661 C CG . MET A 1 216 ? 22.499 17.227 27.502 1.00 31.43 ? 908 MET A CG 1 \nATOM 1662 S SD . MET A 1 216 ? 20.915 16.950 28.305 1.00 38.14 ? 908 MET A SD 1 \nATOM 1663 C CE . MET A 1 216 ? 19.955 16.171 26.994 1.00 35.57 ? 908 MET A CE 1 \nATOM 1664 N N . THR A 1 217 ? 24.529 21.266 28.926 1.00 34.84 ? 909 THR A N 1 \nATOM 1665 C CA . THR A 1 217 ? 25.422 22.110 29.715 1.00 31.46 ? 909 THR A CA 1 \nATOM 1666 C C . THR A 1 217 ? 24.758 23.462 29.973 1.00 35.43 ? 909 THR A C 1 \nATOM 1667 O O . THR A 1 217 ? 25.369 24.375 30.533 1.00 33.37 ? 909 THR A O 1 \nATOM 1668 C CB . THR A 1 217 ? 26.755 22.383 28.990 1.00 30.17 ? 909 THR A CB 1 \nATOM 1669 O OG1 . THR A 1 217 ? 26.503 23.074 27.759 1.00 32.39 ? 909 THR A OG1 1 \nATOM 1670 C CG2 . THR A 1 217 ? 27.548 21.085 28.733 1.00 34.41 ? 909 THR A CG2 1 \nATOM 1671 N N . PHE A 1 218 ? 23.507 23.580 29.542 1.00 32.72 ? 910 PHE A N 1 \nATOM 1672 C CA . PHE A 1 218 ? 22.753 24.834 29.661 1.00 39.49 ? 910 PHE A CA 1 \nATOM 1673 C C . PHE A 1 218 ? 23.452 25.975 28.916 1.00 37.32 ? 910 PHE A C 1 \nATOM 1674 O O . PHE A 1 218 ? 23.512 27.121 29.379 1.00 34.56 ? 910 PHE A O 1 \nATOM 1675 C CB . PHE A 1 218 ? 22.465 25.145 31.144 1.00 38.60 ? 910 PHE A CB 1 \nATOM 1676 C CG . PHE A 1 218 ? 21.737 24.031 31.852 1.00 35.82 ? 910 PHE A CG 1 \nATOM 1677 C CD1 . PHE A 1 218 ? 20.360 23.874 31.695 1.00 42.92 ? 910 PHE A CD1 1 \nATOM 1678 C CD2 . PHE A 1 218 ? 22.424 23.129 32.671 1.00 39.39 ? 910 PHE A CD2 1 \nATOM 1679 C CE1 . PHE A 1 218 ? 19.684 22.843 32.335 1.00 38.58 ? 910 PHE A CE1 1 \nATOM 1680 C CE2 . PHE A 1 218 ? 21.751 22.095 33.320 1.00 38.85 ? 910 PHE A CE2 1 \nATOM 1681 C CZ . PHE A 1 218 ? 20.377 21.960 33.156 1.00 39.25 ? 910 PHE A CZ 1 \nATOM 1682 N N . GLY A 1 219 ? 23.972 25.646 27.741 1.00 30.24 ? 911 GLY A N 1 \nATOM 1683 C CA . GLY A 1 219 ? 24.480 26.659 26.818 1.00 30.44 ? 911 GLY A CA 1 \nATOM 1684 C C . GLY A 1 219 ? 25.938 27.038 26.976 1.00 31.34 ? 911 GLY A C 1 \nATOM 1685 O O . GLY A 1 219 ? 26.322 28.160 26.631 1.00 31.20 ? 911 GLY A O 1 \nATOM 1686 N N . SER A 1 220 ? 26.761 26.109 27.461 1.00 34.43 ? 912 SER A N 1 \nATOM 1687 C CA . SER A 1 220 ? 28.216 26.310 27.408 1.00 32.44 ? 912 SER A CA 1 \nATOM 1688 C C . SER A 1 220 ? 28.744 26.398 25.977 1.00 30.35 ? 912 SER A C 1 \nATOM 1689 O O . SER A 1 220 ? 28.186 25.815 25.051 1.00 29.13 ? 912 SER A O 1 \nATOM 1690 C CB . SER A 1 220 ? 28.963 25.201 28.160 1.00 37.09 ? 912 SER A CB 1 \nATOM 1691 O OG . SER A 1 220 ? 28.615 25.224 29.524 1.00 37.39 ? 912 SER A OG 1 \nATOM 1692 N N . LYS A 1 221 ? 29.864 27.105 25.822 1.00 34.33 ? 913 LYS A N 1 \nATOM 1693 C CA . LYS A 1 221 ? 30.544 27.258 24.535 1.00 36.05 ? 913 LYS A CA 1 \nATOM 1694 C C . LYS A 1 221 ? 31.469 26.073 24.282 1.00 36.45 ? 913 LYS A C 1 \nATOM 1695 O O . LYS A 1 221 ? 32.367 25.819 25.085 1.00 32.75 ? 913 LYS A O 1 \nATOM 1696 C CB . LYS A 1 221 ? 31.374 28.541 24.538 1.00 37.89 ? 913 LYS A CB 1 \nATOM 1697 C CG . LYS A 1 221 ? 30.549 29.809 24.490 1.00 41.62 ? 913 LYS A CG 1 \nATOM 1698 C CD . LYS A 1 221 ? 31.439 31.046 24.591 1.00 54.77 ? 913 LYS A CD 1 \nATOM 1699 C CE . LYS A 1 221 ? 32.281 31.258 23.338 1.00 63.20 ? 913 LYS A CE 1 \nATOM 1700 N NZ . LYS A 1 221 ? 33.156 32.457 23.448 1.00 79.59 ? 913 LYS A NZ 1 \nATOM 1701 N N . PRO A 1 222 ? 31.254 25.337 23.175 1.00 34.16 ? 914 PRO A N 1 \nATOM 1702 C CA . PRO A 1 222 ? 32.058 24.118 22.968 1.00 29.10 ? 914 PRO A CA 1 \nATOM 1703 C C . PRO A 1 222 ? 33.536 24.481 22.719 1.00 34.77 ? 914 PRO A C 1 \nATOM 1704 O O . PRO A 1 222 ? 33.814 25.439 21.996 1.00 33.33 ? 914 PRO A O 1 \nATOM 1705 C CB . PRO A 1 222 ? 31.411 23.481 21.733 1.00 33.91 ? 914 PRO A CB 1 \nATOM 1706 C CG . PRO A 1 222 ? 30.778 24.614 21.005 1.00 34.78 ? 914 PRO A CG 1 \nATOM 1707 C CD . PRO A 1 222 ? 30.298 25.560 22.076 1.00 32.97 ? 914 PRO A CD 1 \nATOM 1708 N N . TYR A 1 223 ? 34.458 23.737 23.325 1.00 33.25 ? 915 TYR A N 1 \nATOM 1709 C CA . TYR A 1 223 ? 35.895 23.998 23.177 1.00 33.85 ? 915 TYR A CA 1 \nATOM 1710 C C . TYR A 1 223 ? 36.207 25.471 23.468 1.00 39.64 ? 915 TYR A C 1 \nATOM 1711 O O . TYR A 1 223 ? 36.948 26.117 22.718 1.00 45.53 ? 915 TYR A O 1 \nATOM 1712 C CB . TYR A 1 223 ? 36.364 23.665 21.764 1.00 33.52 ? 915 TYR A CB 1 \nATOM 1713 C CG . TYR A 1 223 ? 35.818 22.388 21.190 1.00 29.32 ? 915 TYR A CG 1 \nATOM 1714 C CD1 . TYR A 1 223 ? 36.385 21.162 21.511 1.00 32.58 ? 915 TYR A CD1 1 \nATOM 1715 C CD2 . TYR A 1 223 ? 34.742 22.417 20.307 1.00 36.08 ? 915 TYR A CD2 1 \nATOM 1716 C CE1 . TYR A 1 223 ? 35.888 19.981 20.977 1.00 33.76 ? 915 TYR A CE1 1 \nATOM 1717 C CE2 . TYR A 1 223 ? 34.231 21.250 19.767 1.00 31.31 ? 915 TYR A CE2 1 \nATOM 1718 C CZ . TYR A 1 223 ? 34.802 20.038 20.107 1.00 30.34 ? 915 TYR A CZ 1 \nATOM 1719 O OH . TYR A 1 223 ? 34.315 18.876 19.539 1.00 36.05 ? 915 TYR A OH 1 \nATOM 1720 N N . ASP A 1 224 ? 35.618 25.991 24.543 1.00 43.33 ? 916 ASP A N 1 \nATOM 1721 C CA . ASP A 1 224 ? 35.768 27.396 24.940 1.00 48.23 ? 916 ASP A CA 1 \nATOM 1722 C C . ASP A 1 224 ? 37.254 27.719 25.124 1.00 48.30 ? 916 ASP A C 1 \nATOM 1723 O O . ASP A 1 224 ? 37.983 26.961 25.774 1.00 46.71 ? 916 ASP A O 1 \nATOM 1724 C CB . ASP A 1 224 ? 34.988 27.650 26.242 1.00 52.14 ? 916 ASP A CB 1 \nATOM 1725 C CG . ASP A 1 224 ? 34.922 29.136 26.628 1.00 54.58 ? 916 ASP A CG 1 \nATOM 1726 O OD1 . ASP A 1 224 ? 34.708 29.421 27.821 1.00 60.52 ? 916 ASP A OD1 1 \nATOM 1727 O OD2 . ASP A 1 224 ? 35.064 30.008 25.751 1.00 47.27 ? 916 ASP A OD2 1 \nATOM 1728 N N . GLY A 1 225 ? 37.697 28.813 24.511 1.00 56.46 ? 917 GLY A N 1 \nATOM 1729 C CA . GLY A 1 225 ? 39.085 29.258 24.635 1.00 76.19 ? 917 GLY A CA 1 \nATOM 1730 C C . GLY A 1 225 ? 40.035 28.671 23.604 1.00 72.63 ? 917 GLY A C 1 \nATOM 1731 O O . GLY A 1 225 ? 41.021 29.316 23.238 1.00 63.76 ? 917 GLY A O 1 \nATOM 1732 N N . ILE A 1 226 ? 39.738 27.452 23.143 1.00 63.90 ? 918 ILE A N 1 \nATOM 1733 C CA . ILE A 1 226 ? 40.529 26.764 22.114 1.00 49.40 ? 918 ILE A CA 1 \nATOM 1734 C C . ILE A 1 226 ? 40.345 27.411 20.732 1.00 55.67 ? 918 ILE A C 1 \nATOM 1735 O O . ILE A 1 226 ? 39.215 27.569 20.259 1.00 53.67 ? 918 ILE A O 1 \nATOM 1736 C CB . ILE A 1 226 ? 40.247 25.246 22.089 1.00 58.39 ? 918 ILE A CB 1 \nATOM 1737 C CG1 . ILE A 1 226 ? 40.788 24.592 23.362 1.00 67.71 ? 918 ILE A CG1 1 \nATOM 1738 C CG2 . ILE A 1 226 ? 40.855 24.585 20.856 1.00 49.74 ? 918 ILE A CG2 1 \nATOM 1739 C CD1 . ILE A 1 226 ? 40.277 23.185 23.600 1.00 83.95 ? 918 ILE A CD1 1 \nATOM 1740 N N . PRO A 1 227 ? 41.465 27.809 20.091 1.00 55.34 ? 919 PRO A N 1 \nATOM 1741 C CA . PRO A 1 227 ? 41.367 28.478 18.797 1.00 51.65 ? 919 PRO A CA 1 \nATOM 1742 C C . PRO A 1 227 ? 40.839 27.524 17.737 1.00 46.00 ? 919 PRO A C 1 \nATOM 1743 O O . PRO A 1 227 ? 41.228 26.335 17.700 1.00 36.86 ? 919 PRO A O 1 \nATOM 1744 C CB . PRO A 1 227 ? 42.817 28.854 18.466 1.00 48.91 ? 919 PRO A CB 1 \nATOM 1745 C CG . PRO A 1 227 ? 43.602 28.650 19.726 1.00 59.54 ? 919 PRO A CG 1 \nATOM 1746 C CD . PRO A 1 227 ? 42.867 27.590 20.494 1.00 61.20 ? 919 PRO A CD 1 \nATOM 1747 N N . ALA A 1 228 ? 39.982 28.055 16.877 1.00 42.96 ? 920 ALA A N 1 \nATOM 1748 C CA . ALA A 1 228 ? 39.380 27.267 15.795 1.00 53.07 ? 920 ALA A CA 1 \nATOM 1749 C C . ALA A 1 228 ? 40.428 26.554 14.926 1.00 52.49 ? 920 ALA A C 1 \nATOM 1750 O O . ALA A 1 228 ? 40.200 25.430 14.477 1.00 39.45 ? 920 ALA A O 1 \nATOM 1751 C CB . ALA A 1 228 ? 38.482 28.136 14.939 1.00 41.74 ? 920 ALA A CB 1 \nATOM 1752 N N . SER A 1 229 ? 41.578 27.191 14.706 1.00 42.14 ? 921 SER A N 1 \nATOM 1753 C CA . SER A 1 229 ? 42.638 26.564 13.918 1.00 38.91 ? 921 SER A CA 1 \nATOM 1754 C C . SER A 1 229 ? 43.218 25.280 14.535 1.00 41.47 ? 921 SER A C 1 \nATOM 1755 O O . SER A 1 229 ? 43.852 24.491 13.834 1.00 45.17 ? 921 SER A O 1 \nATOM 1756 C CB . SER A 1 229 ? 43.758 27.580 13.611 1.00 43.76 ? 921 SER A CB 1 \nATOM 1757 O OG . SER A 1 229 ? 44.498 27.894 14.783 1.00 45.49 ? 921 SER A OG 1 \nATOM 1758 N N . GLU A 1 230 ? 42.994 25.066 15.832 1.00 38.81 ? 922 GLU A N 1 \nATOM 1759 C CA . GLU A 1 230 ? 43.508 23.877 16.524 1.00 37.90 ? 922 GLU A CA 1 \nATOM 1760 C C . GLU A 1 230 ? 42.483 22.741 16.610 1.00 32.89 ? 922 GLU A C 1 \nATOM 1761 O O . GLU A 1 230 ? 42.824 21.636 17.051 1.00 37.01 ? 922 GLU A O 1 \nATOM 1762 C CB . GLU A 1 230 ? 43.996 24.218 17.938 1.00 43.95 ? 922 GLU A CB 1 \nATOM 1763 C CG . GLU A 1 230 ? 45.241 25.107 17.988 1.00 58.60 ? 922 GLU A CG 1 \nATOM 1764 C CD . GLU A 1 230 ? 46.562 24.340 17.959 1.00 74.68 ? 922 GLU A CD 1 \nATOM 1765 O OE1 . GLU A 1 230 ? 47.536 24.836 18.567 1.00 92.16 ? 922 GLU A OE1 1 \nATOM 1766 O OE2 . GLU A 1 230 ? 46.653 23.253 17.338 1.00 65.14 ? 922 GLU A OE2 1 \nATOM 1767 N N . ILE A 1 231 ? 41.253 22.998 16.186 1.00 36.85 ? 923 ILE A N 1 \nATOM 1768 C CA . ILE A 1 231 ? 40.183 21.993 16.380 1.00 30.58 ? 923 ILE A CA 1 \nATOM 1769 C C . ILE A 1 231 ? 40.420 20.666 15.649 1.00 27.72 ? 923 ILE A C 1 \nATOM 1770 O O . ILE A 1 231 ? 40.283 19.600 16.258 1.00 32.41 ? 923 ILE A O 1 \nATOM 1771 C CB . ILE A 1 231 ? 38.766 22.575 16.099 1.00 36.31 ? 923 ILE A CB 1 \nATOM 1772 C CG1 . ILE A 1 231 ? 38.369 23.629 17.159 1.00 35.07 ? 923 ILE A CG1 1 \nATOM 1773 C CG2 . ILE A 1 231 ? 37.725 21.455 16.020 1.00 31.73 ? 923 ILE A CG2 1 \nATOM 1774 C CD1 . ILE A 1 231 ? 38.250 23.123 18.592 1.00 32.22 ? 923 ILE A CD1 1 \nATOM 1775 N N . SER A 1 232 ? 40.756 20.704 14.355 1.00 28.13 ? 924 SER A N 1 \nATOM 1776 C CA . SER A 1 232 ? 41.002 19.463 13.633 1.00 35.63 ? 924 SER A CA 1 \nATOM 1777 C C . SER A 1 232 ? 42.110 18.610 14.291 1.00 34.96 ? 924 SER A C 1 \nATOM 1778 O O . SER A 1 232 ? 41.992 17.378 14.352 1.00 29.18 ? 924 SER A O 1 \nATOM 1779 C CB . SER A 1 232 ? 41.305 19.725 12.150 1.00 39.13 ? 924 SER A CB 1 \nATOM 1780 O OG . SER A 1 232 ? 42.613 20.267 11.983 1.00 41.55 ? 924 SER A OG 1 \nATOM 1781 N N . SER A 1 233 ? 43.194 19.226 14.792 1.00 38.53 ? 925 SER A N 1 \nATOM 1782 C CA . SER A 1 233 ? 44.236 18.385 15.393 1.00 37.45 ? 925 SER A CA 1 \nATOM 1783 C C . SER A 1 233 ? 43.771 17.767 16.716 1.00 35.21 ? 925 SER A C 1 \nATOM 1784 O O . SER A 1 233 ? 44.032 16.602 16.994 1.00 33.66 ? 925 SER A O 1 \nATOM 1785 C CB . SER A 1 233 ? 45.579 19.125 15.558 1.00 47.26 ? 925 SER A CB 1 \nATOM 1786 O OG . SER A 1 233 ? 45.435 20.233 16.416 1.00 54.50 ? 925 SER A OG 1 \nATOM 1787 N N . ILE A 1 234 ? 43.029 18.547 17.497 1.00 35.17 ? 926 ILE A N 1 \nATOM 1788 C CA . ILE A 1 234 ? 42.404 18.065 18.728 1.00 40.33 ? 926 ILE A CA 1 \nATOM 1789 C C . ILE A 1 234 ? 41.474 16.855 18.453 1.00 34.53 ? 926 ILE A C 1 \nATOM 1790 O O . ILE A 1 234 ? 41.637 15.787 19.056 1.00 32.95 ? 926 ILE A O 1 \nATOM 1791 C CB . ILE A 1 234 ? 41.718 19.262 19.443 1.00 44.79 ? 926 ILE A CB 1 \nATOM 1792 C CG1 . ILE A 1 234 ? 42.727 19.924 20.400 1.00 48.92 ? 926 ILE A CG1 1 \nATOM 1793 C CG2 . ILE A 1 234 ? 40.399 18.888 20.114 1.00 51.95 ? 926 ILE A CG2 1 \nATOM 1794 C CD1 . ILE A 1 234 ? 42.280 21.255 20.973 1.00 61.81 ? 926 ILE A CD1 1 \nATOM 1795 N N . LEU A 1 235 ? 40.532 17.007 17.520 1.00 37.12 ? 927 LEU A N 1 \nATOM 1796 C CA . LEU A 1 235 ? 39.655 15.893 17.106 1.00 32.43 ? 927 LEU A CA 1 \nATOM 1797 C C . LEU A 1 235 ? 40.412 14.654 16.605 1.00 30.80 ? 927 LEU A C 1 \nATOM 1798 O O . LEU A 1 235 ? 40.043 13.515 16.922 1.00 31.95 ? 927 LEU A O 1 \nATOM 1799 C CB . LEU A 1 235 ? 38.673 16.349 16.012 1.00 30.99 ? 927 LEU A CB 1 \nATOM 1800 C CG . LEU A 1 235 ? 37.709 17.440 16.463 1.00 32.53 ? 927 LEU A CG 1 \nATOM 1801 C CD1 . LEU A 1 235 ? 36.815 17.889 15.312 1.00 33.89 ? 927 LEU A CD1 1 \nATOM 1802 C CD2 . LEU A 1 235 ? 36.891 16.918 17.625 1.00 30.69 ? 927 LEU A CD2 1 \nATOM 1803 N N . GLU A 1 236 ? 41.450 14.888 15.810 1.00 37.01 ? 928 GLU A N 1 \nATOM 1804 C CA . GLU A 1 236 ? 42.284 13.804 15.268 1.00 39.13 ? 928 GLU A CA 1 \nATOM 1805 C C . GLU A 1 236 ? 43.002 13.019 16.360 1.00 41.39 ? 928 GLU A C 1 \nATOM 1806 O O . GLU A 1 236 ? 43.225 11.816 16.209 1.00 38.80 ? 928 GLU A O 1 \nATOM 1807 C CB . GLU A 1 236 ? 43.307 14.339 14.255 1.00 40.49 ? 928 GLU A CB 1 \nATOM 1808 C CG . GLU A 1 236 ? 42.754 14.636 12.870 1.00 44.84 ? 928 GLU A CG 1 \nATOM 1809 C CD . GLU A 1 236 ? 43.660 15.532 12.036 1.00 69.64 ? 928 GLU A CD 1 \nATOM 1810 O OE1 . GLU A 1 236 ? 43.599 15.442 10.790 1.00 74.90 ? 928 GLU A OE1 1 \nATOM 1811 O OE2 . GLU A 1 236 ? 44.432 16.332 12.616 1.00 62.95 ? 928 GLU A OE2 1 \nATOM 1812 N N . LYS A 1 237 ? 43.370 13.694 17.448 1.00 40.90 ? 929 LYS A N 1 \nATOM 1813 C CA . LYS A 1 237 ? 44.002 13.020 18.591 1.00 41.80 ? 929 LYS A CA 1 \nATOM 1814 C C . LYS A 1 237 ? 43.006 12.231 19.453 1.00 46.80 ? 929 LYS A C 1 \nATOM 1815 O O . LYS A 1 237 ? 43.398 11.536 20.394 1.00 44.25 ? 929 LYS A O 1 \nATOM 1816 C CB . LYS A 1 237 ? 44.758 14.025 19.459 1.00 50.08 ? 929 LYS A CB 1 \nATOM 1817 C CG . LYS A 1 237 ? 45.966 14.663 18.770 1.00 40.31 ? 929 LYS A CG 1 \nATOM 1818 C CD . LYS A 1 237 ? 46.644 15.696 19.666 1.00 67.33 ? 929 LYS A CD 1 \nATOM 1819 C CE . LYS A 1 237 ? 47.436 15.043 20.796 1.00 79.96 ? 929 LYS A CE 1 \nATOM 1820 N NZ . LYS A 1 237 ? 48.135 16.035 21.664 1.00 77.70 ? 929 LYS A NZ 1 \nATOM 1821 N N . GLY A 1 238 ? 41.721 12.345 19.125 1.00 37.47 ? 930 GLY A N 1 \nATOM 1822 C CA . GLY A 1 238 ? 40.652 11.633 19.840 1.00 39.43 ? 930 GLY A CA 1 \nATOM 1823 C C . GLY A 1 238 ? 39.970 12.436 20.930 1.00 38.99 ? 930 GLY A C 1 \nATOM 1824 O O . GLY A 1 238 ? 39.110 11.903 21.646 1.00 41.30 ? 930 GLY A O 1 \nATOM 1825 N N . GLU A 1 239 ? 40.330 13.714 21.069 1.00 32.16 ? 931 GLU A N 1 \nATOM 1826 C CA . GLU A 1 239 ? 39.759 14.534 22.132 1.00 32.85 ? 931 GLU A CA 1 \nATOM 1827 C C . GLU A 1 239 ? 38.329 14.954 21.745 1.00 28.27 ? 931 GLU A C 1 \nATOM 1828 O O . GLU A 1 239 ? 38.075 15.227 20.573 1.00 28.77 ? 931 GLU A O 1 \nATOM 1829 C CB . GLU A 1 239 ? 40.603 15.762 22.393 1.00 36.69 ? 931 GLU A CB 1 \nATOM 1830 C CG . GLU A 1 239 ? 40.082 16.662 23.503 1.00 49.53 ? 931 GLU A CG 1 \nATOM 1831 C CD . GLU A 1 239 ? 41.036 17.806 23.818 1.00 69.08 ? 931 GLU A CD 1 \nATOM 1832 O OE1 . GLU A 1 239 ? 42.249 17.685 23.508 1.00 53.32 ? 931 GLU A OE1 1 \nATOM 1833 O OE2 . GLU A 1 239 ? 40.568 18.828 24.374 1.00 53.97 ? 931 GLU A OE2 1 \nATOM 1834 N N . ARG A 1 240 ? 37.436 14.994 22.732 1.00 32.01 ? 932 ARG A N 1 \nATOM 1835 C CA . ARG A 1 240 ? 35.995 15.304 22.490 1.00 28.11 ? 932 ARG A CA 1 \nATOM 1836 C C . ARG A 1 240 ? 35.471 16.272 23.565 1.00 32.94 ? 932 ARG A C 1 \nATOM 1837 O O . ARG A 1 240 ? 36.145 16.500 24.574 1.00 32.49 ? 932 ARG A O 1 \nATOM 1838 C CB . ARG A 1 240 ? 35.184 14.002 22.501 1.00 26.86 ? 932 ARG A CB 1 \nATOM 1839 C CG . ARG A 1 240 ? 35.365 13.048 21.316 1.00 27.27 ? 932 ARG A CG 1 \nATOM 1840 C CD . ARG A 1 240 ? 35.153 13.715 19.958 1.00 27.89 ? 932 ARG A CD 1 \nATOM 1841 N NE . ARG A 1 240 ? 35.303 12.791 18.844 1.00 28.64 ? 932 ARG A NE 1 \nATOM 1842 C CZ . ARG A 1 240 ? 36.449 12.531 18.213 1.00 43.88 ? 932 ARG A CZ 1 \nATOM 1843 N NH1 . ARG A 1 240 ? 36.458 11.657 17.217 1.00 36.00 ? 932 ARG A NH1 1 \nATOM 1844 N NH2 . ARG A 1 240 ? 37.584 13.133 18.580 1.00 28.88 ? 932 ARG A NH2 1 \nATOM 1845 N N . LEU A 1 241 ? 34.284 16.855 23.361 1.00 28.49 ? 933 LEU A N 1 \nATOM 1846 C CA . LEU A 1 241 ? 33.643 17.646 24.416 1.00 26.44 ? 933 LEU A CA 1 \nATOM 1847 C C . LEU A 1 241 ? 33.400 16.752 25.622 1.00 27.19 ? 933 LEU A C 1 \nATOM 1848 O O . LEU A 1 241 ? 33.077 15.575 25.443 1.00 32.58 ? 933 LEU A O 1 \nATOM 1849 C CB . LEU A 1 241 ? 32.311 18.241 23.907 1.00 29.48 ? 933 LEU A CB 1 \nATOM 1850 C CG . LEU A 1 241 ? 32.510 19.274 22.790 1.00 28.80 ? 933 LEU A CG 1 \nATOM 1851 C CD1 . LEU A 1 241 ? 31.191 19.477 22.015 1.00 25.49 ? 933 LEU A CD1 1 \nATOM 1852 C CD2 . LEU A 1 241 ? 33.058 20.587 23.368 1.00 24.54 ? 933 LEU A CD2 1 \nATOM 1853 N N . PRO A 1 242 ? 33.563 17.290 26.848 1.00 29.32 ? 934 PRO A N 1 \nATOM 1854 C CA . PRO A 1 242 ? 33.465 16.519 28.091 1.00 31.42 ? 934 PRO A CA 1 \nATOM 1855 C C . PRO A 1 242 ? 32.034 16.165 28.451 1.00 31.97 ? 934 PRO A C 1 \nATOM 1856 O O . PRO A 1 242 ? 31.093 16.860 28.022 1.00 30.19 ? 934 PRO A O 1 \nATOM 1857 C CB . PRO A 1 242 ? 34.021 17.485 29.144 1.00 39.73 ? 934 PRO A CB 1 \nATOM 1858 C CG . PRO A 1 242 ? 33.717 18.844 28.599 1.00 38.13 ? 934 PRO A CG 1 \nATOM 1859 C CD . PRO A 1 242 ? 33.907 18.703 27.109 1.00 35.28 ? 934 PRO A CD 1 \nATOM 1860 N N . GLN A 1 243 ? 31.885 15.115 29.245 1.00 30.53 ? 935 GLN A N 1 \nATOM 1861 C CA . GLN A 1 243 ? 30.573 14.712 29.766 1.00 29.08 ? 935 GLN A CA 1 \nATOM 1862 C C . GLN A 1 243 ? 29.934 15.848 30.576 1.00 32.66 ? 935 GLN A C 1 \nATOM 1863 O O . GLN A 1 243 ? 30.528 16.340 31.528 1.00 36.94 ? 935 GLN A O 1 \nATOM 1864 C CB . GLN A 1 243 ? 30.703 13.453 30.638 1.00 32.68 ? 935 GLN A CB 1 \nATOM 1865 C CG . GLN A 1 243 ? 29.388 13.003 31.278 1.00 37.61 ? 935 GLN A CG 1 \nATOM 1866 C CD . GLN A 1 243 ? 29.522 11.707 32.068 1.00 41.28 ? 935 GLN A CD 1 \nATOM 1867 O OE1 . GLN A 1 243 ? 30.577 11.088 32.077 1.00 38.24 ? 935 GLN A OE1 1 \nATOM 1868 N NE2 . GLN A 1 243 ? 28.447 11.306 32.755 1.00 34.59 ? 935 GLN A NE2 1 \nATOM 1869 N N . PRO A 1 244 ? 28.713 16.273 30.190 1.00 36.45 ? 936 PRO A N 1 \nATOM 1870 C CA . PRO A 1 244 ? 28.008 17.267 31.005 1.00 39.54 ? 936 PRO A CA 1 \nATOM 1871 C C . PRO A 1 244 ? 27.664 16.677 32.377 1.00 36.69 ? 936 PRO A C 1 \nATOM 1872 O O . PRO A 1 244 ? 27.317 15.497 32.453 1.00 35.68 ? 936 PRO A O 1 \nATOM 1873 C CB . PRO A 1 244 ? 26.741 17.562 30.181 1.00 34.20 ? 936 PRO A CB 1 \nATOM 1874 C CG . PRO A 1 244 ? 27.131 17.223 28.774 1.00 32.85 ? 936 PRO A CG 1 \nATOM 1875 C CD . PRO A 1 244 ? 27.993 15.990 28.938 1.00 36.06 ? 936 PRO A CD 1 \nATOM 1876 N N . PRO A 1 245 ? 27.830 17.472 33.457 1.00 38.32 ? 937 PRO A N 1 \nATOM 1877 C CA . PRO A 1 245 ? 27.599 17.015 34.833 1.00 40.21 ? 937 PRO A CA 1 \nATOM 1878 C C . PRO A 1 245 ? 26.233 16.386 35.062 1.00 40.46 ? 937 PRO A C 1 \nATOM 1879 O O . PRO A 1 245 ? 26.126 15.433 35.842 1.00 37.59 ? 937 PRO A O 1 \nATOM 1880 C CB . PRO A 1 245 ? 27.741 18.296 35.655 1.00 46.41 ? 937 PRO A CB 1 \nATOM 1881 C CG . PRO A 1 245 ? 28.715 19.118 34.886 1.00 46.70 ? 937 PRO A CG 1 \nATOM 1882 C CD . PRO A 1 245 ? 28.506 18.788 33.426 1.00 39.47 ? 937 PRO A CD 1 \nATOM 1883 N N . ILE A 1 246 ? 25.204 16.876 34.374 1.00 34.10 ? 938 ILE A N 1 \nATOM 1884 C CA . ILE A 1 246 ? 23.855 16.329 34.558 1.00 37.91 ? 938 ILE A CA 1 \nATOM 1885 C C . ILE A 1 246 ? 23.631 14.986 33.839 1.00 37.49 ? 938 ILE A C 1 \nATOM 1886 O O . ILE A 1 246 ? 22.660 14.289 34.126 1.00 41.11 ? 938 ILE A O 1 \nATOM 1887 C CB . ILE A 1 246 ? 22.731 17.329 34.163 1.00 33.35 ? 938 ILE A CB 1 \nATOM 1888 C CG1 . ILE A 1 246 ? 22.714 17.586 32.640 1.00 35.59 ? 938 ILE A CG1 1 \nATOM 1889 C CG2 . ILE A 1 246 ? 22.828 18.633 34.966 1.00 36.27 ? 938 ILE A CG2 1 \nATOM 1890 C CD1 . ILE A 1 246 ? 21.420 18.224 32.136 1.00 34.32 ? 938 ILE A CD1 1 \nATOM 1891 N N . CYS A 1 247 ? 24.516 14.620 32.915 1.00 34.04 ? 939 CYS A N 1 \nATOM 1892 C CA . CYS A 1 247 ? 24.244 13.437 32.081 1.00 31.20 ? 939 CYS A CA 1 \nATOM 1893 C C . CYS A 1 247 ? 24.743 12.159 32.706 1.00 36.53 ? 939 CYS A C 1 \nATOM 1894 O O . CYS A 1 247 ? 25.908 12.071 33.106 1.00 31.88 ? 939 CYS A O 1 \nATOM 1895 C CB . CYS A 1 247 ? 24.905 13.551 30.709 1.00 32.11 ? 939 CYS A CB 1 \nATOM 1896 S SG . CYS A 1 247 ? 24.327 14.888 29.665 1.00 37.25 ? 939 CYS A SG 1 \nATOM 1897 N N . THR A 1 248 ? 23.891 11.141 32.747 1.00 32.45 ? 940 THR A N 1 \nATOM 1898 C CA . THR A 1 248 ? 24.426 9.802 32.980 1.00 35.97 ? 940 THR A CA 1 \nATOM 1899 C C . THR A 1 248 ? 25.287 9.401 31.793 1.00 34.97 ? 940 THR A C 1 \nATOM 1900 O O . THR A 1 248 ? 25.203 10.005 30.717 1.00 33.70 ? 940 THR A O 1 \nATOM 1901 C CB . THR A 1 248 ? 23.305 8.757 33.128 1.00 35.72 ? 940 THR A CB 1 \nATOM 1902 O OG1 . THR A 1 248 ? 22.500 8.763 31.945 1.00 39.68 ? 940 THR A OG1 1 \nATOM 1903 C CG2 . THR A 1 248 ? 22.449 9.071 34.363 1.00 40.81 ? 940 THR A CG2 1 \nATOM 1904 N N . ILE A 1 249 ? 26.085 8.351 31.966 1.00 33.98 ? 941 ILE A N 1 \nATOM 1905 C CA . ILE A 1 249 ? 26.923 7.835 30.883 1.00 36.66 ? 941 ILE A CA 1 \nATOM 1906 C C . ILE A 1 249 ? 26.138 7.370 29.646 1.00 29.75 ? 941 ILE A C 1 \nATOM 1907 O O . ILE A 1 249 ? 26.623 7.493 28.531 1.00 33.08 ? 941 ILE A O 1 \nATOM 1908 C CB . ILE A 1 249 ? 27.930 6.758 31.391 1.00 41.29 ? 941 ILE A CB 1 \nATOM 1909 C CG1 . ILE A 1 249 ? 29.080 6.560 30.399 1.00 41.07 ? 941 ILE A CG1 1 \nATOM 1910 C CG2 . ILE A 1 249 ? 27.233 5.445 31.720 1.00 36.91 ? 941 ILE A CG2 1 \nATOM 1911 C CD1 . ILE A 1 249 ? 30.126 7.650 30.441 1.00 44.87 ? 941 ILE A CD1 1 \nATOM 1912 N N . ASP A 1 250 ? 24.925 6.850 29.840 1.00 35.62 ? 942 ASP A N 1 \nATOM 1913 C CA . ASP A 1 250 ? 24.058 6.438 28.727 1.00 35.94 ? 942 ASP A CA 1 \nATOM 1914 C C . ASP A 1 250 ? 23.799 7.600 27.757 1.00 33.14 ? 942 ASP A C 1 \nATOM 1915 O O . ASP A 1 250 ? 23.804 7.423 26.529 1.00 31.94 ? 942 ASP A O 1 \nATOM 1916 C CB . ASP A 1 250 ? 22.716 5.941 29.274 1.00 34.61 ? 942 ASP A CB 1 \nATOM 1917 C CG . ASP A 1 250 ? 22.882 4.975 30.427 1.00 57.33 ? 942 ASP A CG 1 \nATOM 1918 O OD1 . ASP A 1 250 ? 22.854 3.759 30.156 1.00 55.48 ? 942 ASP A OD1 1 \nATOM 1919 O OD2 . ASP A 1 250 ? 23.075 5.431 31.589 1.00 61.31 ? 942 ASP A OD2 1 \nATOM 1920 N N . VAL A 1 251 ? 23.575 8.782 28.316 1.00 31.75 ? 943 VAL A N 1 \nATOM 1921 C CA . VAL A 1 251 ? 23.296 9.965 27.488 1.00 32.99 ? 943 VAL A CA 1 \nATOM 1922 C C . VAL A 1 251 ? 24.574 10.469 26.835 1.00 32.91 ? 943 VAL A C 1 \nATOM 1923 O O . VAL A 1 251 ? 24.594 10.757 25.638 1.00 30.24 ? 943 VAL A O 1 \nATOM 1924 C CB . VAL A 1 251 ? 22.603 11.095 28.278 1.00 38.37 ? 943 VAL A CB 1 \nATOM 1925 C CG1 . VAL A 1 251 ? 22.510 12.373 27.438 1.00 34.73 ? 943 VAL A CG1 1 \nATOM 1926 C CG2 . VAL A 1 251 ? 21.217 10.649 28.705 1.00 36.83 ? 943 VAL A CG2 1 \nATOM 1927 N N . TYR A 1 252 ? 25.647 10.557 27.612 1.00 32.14 ? 944 TYR A N 1 \nATOM 1928 C CA . TYR A 1 252 ? 26.927 10.980 27.042 1.00 31.45 ? 944 TYR A CA 1 \nATOM 1929 C C . TYR A 1 252 ? 27.404 10.020 25.942 1.00 29.66 ? 944 TYR A C 1 \nATOM 1930 O O . TYR A 1 252 ? 27.973 10.463 24.949 1.00 30.29 ? 944 TYR A O 1 \nATOM 1931 C CB . TYR A 1 252 ? 27.964 11.172 28.146 1.00 31.25 ? 944 TYR A CB 1 \nATOM 1932 C CG . TYR A 1 252 ? 29.292 11.716 27.677 1.00 33.16 ? 944 TYR A CG 1 \nATOM 1933 C CD1 . TYR A 1 252 ? 30.480 11.078 28.026 1.00 38.27 ? 944 TYR A CD1 1 \nATOM 1934 C CD2 . TYR A 1 252 ? 29.363 12.874 26.876 1.00 30.07 ? 944 TYR A CD2 1 \nATOM 1935 C CE1 . TYR A 1 252 ? 31.701 11.576 27.611 1.00 34.59 ? 944 TYR A CE1 1 \nATOM 1936 C CE2 . TYR A 1 252 ? 30.586 13.381 26.456 1.00 30.25 ? 944 TYR A CE2 1 \nATOM 1937 C CZ . TYR A 1 252 ? 31.740 12.734 26.829 1.00 33.30 ? 944 TYR A CZ 1 \nATOM 1938 O OH . TYR A 1 252 ? 32.946 13.214 26.403 1.00 32.21 ? 944 TYR A OH 1 \nATOM 1939 N N . MET A 1 253 ? 27.179 8.710 26.113 1.00 28.39 ? 945 MET A N 1 \nATOM 1940 C CA . MET A 1 253 ? 27.573 7.751 25.079 1.00 31.97 ? 945 MET A CA 1 \nATOM 1941 C C . MET A 1 253 ? 26.931 8.061 23.738 1.00 36.65 ? 945 MET A C 1 \nATOM 1942 O O . MET A 1 253 ? 27.522 7.845 22.690 1.00 28.47 ? 945 MET A O 1 \nATOM 1943 C CB . MET A 1 253 ? 27.202 6.316 25.454 1.00 38.25 ? 945 MET A CB 1 \nATOM 1944 C CG . MET A 1 253 ? 28.192 5.594 26.346 1.00 55.75 ? 945 MET A CG 1 \nATOM 1945 S SD . MET A 1 253 ? 29.792 5.350 25.555 1.00 67.50 ? 945 MET A SD 1 \nATOM 1946 C CE . MET A 1 253 ? 30.653 6.763 26.204 1.00 33.80 ? 945 MET A CE 1 \nATOM 1947 N N . ILE A 1 254 ? 25.689 8.529 23.763 1.00 30.37 ? 946 ILE A N 1 \nATOM 1948 C CA . ILE A 1 254 ? 25.062 8.912 22.527 1.00 31.60 ? 946 ILE A CA 1 \nATOM 1949 C C . ILE A 1 254 ? 25.826 10.040 21.849 1.00 24.60 ? 946 ILE A C 1 \nATOM 1950 O O . ILE A 1 254 ? 26.081 9.958 20.654 1.00 26.88 ? 946 ILE A O 1 \nATOM 1951 C CB . ILE A 1 254 ? 23.604 9.359 22.747 1.00 34.97 ? 946 ILE A CB 1 \nATOM 1952 C CG1 . ILE A 1 254 ? 22.796 8.227 23.371 1.00 41.69 ? 946 ILE A CG1 1 \nATOM 1953 C CG2 . ILE A 1 254 ? 22.984 9.808 21.430 1.00 36.80 ? 946 ILE A CG2 1 \nATOM 1954 C CD1 . ILE A 1 254 ? 21.374 8.639 23.700 1.00 41.79 ? 946 ILE A CD1 1 \nATOM 1955 N N . MET A 1 255 ? 26.132 11.097 22.606 1.00 24.86 ? 947 MET A N 1 \nATOM 1956 C CA . MET A 1 255 ? 26.870 12.239 22.100 1.00 30.27 ? 947 MET A CA 1 \nATOM 1957 C C . MET A 1 255 ? 28.209 11.750 21.532 1.00 28.44 ? 947 MET A C 1 \nATOM 1958 O O . MET A 1 255 ? 28.639 12.157 20.443 1.00 29.20 ? 947 MET A O 1 \nATOM 1959 C CB . MET A 1 255 ? 27.147 13.237 23.233 1.00 31.12 ? 947 MET A CB 1 \nATOM 1960 C CG . MET A 1 255 ? 26.092 14.323 23.437 1.00 37.09 ? 947 MET A CG 1 \nATOM 1961 S SD . MET A 1 255 ? 26.416 15.215 24.976 1.00 41.55 ? 947 MET A SD 1 \nATOM 1962 C CE . MET A 1 255 ? 25.321 14.328 26.057 1.00 38.59 ? 947 MET A CE 1 \nATOM 1963 N N . VAL A 1 256 ? 28.856 10.867 22.284 1.00 27.85 ? 948 VAL A N 1 \nATOM 1964 C CA . VAL A 1 256 ? 30.157 10.315 21.867 1.00 28.13 ? 948 VAL A CA 1 \nATOM 1965 C C . VAL A 1 256 ? 30.089 9.557 20.548 1.00 25.79 ? 948 VAL A C 1 \nATOM 1966 O O . VAL A 1 256 ? 30.941 9.740 19.686 1.00 26.90 ? 948 VAL A O 1 \nATOM 1967 C CB . VAL A 1 256 ? 30.817 9.463 22.997 1.00 35.26 ? 948 VAL A CB 1 \nATOM 1968 C CG1 . VAL A 1 256 ? 32.037 8.701 22.473 1.00 32.02 ? 948 VAL A CG1 1 \nATOM 1969 C CG2 . VAL A 1 256 ? 31.236 10.376 24.148 1.00 32.56 ? 948 VAL A CG2 1 \nATOM 1970 N N . LYS A 1 257 ? 29.031 8.755 20.361 1.00 27.83 ? 949 LYS A N 1 \nATOM 1971 C CA . LYS A 1 257 ? 28.774 8.081 19.101 1.00 27.08 ? 949 LYS A CA 1 \nATOM 1972 C C . LYS A 1 257 ? 28.585 9.047 17.933 1.00 25.07 ? 949 LYS A C 1 \nATOM 1973 O O . LYS A 1 257 ? 29.025 8.744 16.823 1.00 24.22 ? 949 LYS A O 1 \nATOM 1974 C CB . LYS A 1 257 ? 27.539 7.151 19.198 1.00 30.67 ? 949 LYS A CB 1 \nATOM 1975 C CG . LYS A 1 257 ? 27.699 5.954 20.116 1.00 50.64 ? 949 LYS A CG 1 \nATOM 1976 C CD . LYS A 1 257 ? 26.468 5.062 20.040 1.00 51.67 ? 949 LYS A CD 1 \nATOM 1977 C CE . LYS A 1 257 ? 26.423 4.044 21.167 1.00 82.77 ? 949 LYS A CE 1 \nATOM 1978 N NZ . LYS A 1 257 ? 25.147 3.272 21.132 1.00 91.62 ? 949 LYS A NZ 1 \nATOM 1979 N N . CYS A 1 258 ? 27.916 10.191 18.177 1.00 25.41 ? 950 CYS A N 1 \nATOM 1980 C CA . CYS A 1 258 ? 27.705 11.180 17.129 1.00 19.95 ? 950 CYS A CA 1 \nATOM 1981 C C . CYS A 1 258 ? 29.041 11.770 16.638 1.00 23.74 ? 950 CYS A C 1 \nATOM 1982 O O . CYS A 1 258 ? 29.101 12.339 15.565 1.00 25.93 ? 950 CYS A O 1 \nATOM 1983 C CB . CYS A 1 258 ? 26.879 12.333 17.670 1.00 19.18 ? 950 CYS A CB 1 \nATOM 1984 S SG . CYS A 1 258 ? 25.132 11.865 17.902 1.00 27.36 ? 950 CYS A SG 1 \nATOM 1985 N N . TRP A 1 259 ? 30.088 11.654 17.440 1.00 26.52 ? 951 TRP A N 1 \nATOM 1986 C CA . TRP A 1 259 ? 31.397 12.217 17.056 1.00 25.40 ? 951 TRP A CA 1 \nATOM 1987 C C . TRP A 1 259 ? 32.490 11.223 16.667 1.00 26.10 ? 951 TRP A C 1 \nATOM 1988 O O . TRP A 1 259 ? 33.711 11.543 16.678 1.00 28.21 ? 951 TRP A O 1 \nATOM 1989 C CB . TRP A 1 259 ? 31.924 13.148 18.145 1.00 29.36 ? 951 TRP A CB 1 \nATOM 1990 C CG . TRP A 1 259 ? 30.945 14.182 18.676 1.00 26.70 ? 951 TRP A CG 1 \nATOM 1991 C CD1 . TRP A 1 259 ? 30.089 14.983 17.956 1.00 24.99 ? 951 TRP A CD1 1 \nATOM 1992 C CD2 . TRP A 1 259 ? 30.788 14.550 20.045 1.00 27.29 ? 951 TRP A CD2 1 \nATOM 1993 N NE1 . TRP A 1 259 ? 29.440 15.834 18.802 1.00 24.81 ? 951 TRP A NE1 1 \nATOM 1994 C CE2 . TRP A 1 259 ? 29.813 15.567 20.092 1.00 28.56 ? 951 TRP A CE2 1 \nATOM 1995 C CE3 . TRP A 1 259 ? 31.365 14.099 21.250 1.00 21.85 ? 951 TRP A CE3 1 \nATOM 1996 C CZ2 . TRP A 1 259 ? 29.396 16.145 21.294 1.00 29.28 ? 951 TRP A CZ2 1 \nATOM 1997 C CZ3 . TRP A 1 259 ? 30.964 14.656 22.427 1.00 26.79 ? 951 TRP A CZ3 1 \nATOM 1998 C CH2 . TRP A 1 259 ? 29.962 15.679 22.449 1.00 25.12 ? 951 TRP A CH2 1 \nATOM 1999 N N . MET A 1 260 ? 32.068 10.028 16.295 1.00 28.04 ? 952 MET A N 1 \nATOM 2000 C CA . MET A 1 260 ? 32.971 9.031 15.724 1.00 31.49 ? 952 MET A CA 1 \nATOM 2001 C C . MET A 1 260 ? 33.558 9.485 14.406 1.00 31.35 ? 952 MET A C 1 \nATOM 2002 O O . MET A 1 260 ? 32.898 10.092 13.574 1.00 22.79 ? 952 MET A O 1 \nATOM 2003 C CB . MET A 1 260 ? 32.235 7.699 15.549 1.00 29.84 ? 952 MET A CB 1 \nATOM 2004 C CG . MET A 1 260 ? 31.955 7.055 16.881 1.00 35.69 ? 952 MET A CG 1 \nATOM 2005 S SD . MET A 1 260 ? 31.264 5.418 16.645 1.00 50.21 ? 952 MET A SD 1 \nATOM 2006 C CE . MET A 1 260 ? 29.532 5.748 16.482 1.00 49.56 ? 952 MET A CE 1 \nATOM 2007 N N . ILE A 1 261 ? 34.849 9.215 14.207 1.00 26.28 ? 953 ILE A N 1 \nATOM 2008 C CA . ILE A 1 261 ? 35.477 9.572 12.945 1.00 26.84 ? 953 ILE A CA 1 \nATOM 2009 C C . ILE A 1 261 ? 34.795 8.949 11.721 1.00 26.04 ? 953 ILE A C 1 \nATOM 2010 O O . ILE A 1 261 ? 34.618 9.606 10.661 1.00 27.41 ? 953 ILE A O 1 \nATOM 2011 C CB . ILE A 1 261 ? 37.008 9.189 13.002 1.00 27.73 ? 953 ILE A CB 1 \nATOM 2012 C CG1 . ILE A 1 261 ? 37.730 10.036 14.057 1.00 41.78 ? 953 ILE A CG1 1 \nATOM 2013 C CG2 . ILE A 1 261 ? 37.658 9.347 11.637 1.00 34.33 ? 953 ILE A CG2 1 \nATOM 2014 C CD1 . ILE A 1 261 ? 37.358 11.509 14.059 1.00 44.58 ? 953 ILE A CD1 1 \nATOM 2015 N N . ASP A 1 262 ? 34.376 7.696 11.878 1.00 29.16 ? 954 ASP A N 1 \nATOM 2016 C CA . ASP A 1 262 ? 33.643 6.975 10.837 1.00 25.74 ? 954 ASP A CA 1 \nATOM 2017 C C . ASP A 1 262 ? 32.196 7.450 10.801 1.00 28.20 ? 954 ASP A C 1 \nATOM 2018 O O . ASP A 1 262 ? 31.405 7.040 11.644 1.00 28.96 ? 954 ASP A O 1 \nATOM 2019 C CB . ASP A 1 262 ? 33.681 5.473 11.100 1.00 29.26 ? 954 ASP A CB 1 \nATOM 2020 C CG . ASP A 1 262 ? 32.932 4.663 10.055 1.00 44.06 ? 954 ASP A CG 1 \nATOM 2021 O OD1 . ASP A 1 262 ? 32.812 3.447 10.275 1.00 41.62 ? 954 ASP A OD1 1 \nATOM 2022 O OD2 . ASP A 1 262 ? 32.448 5.217 9.035 1.00 48.86 ? 954 ASP A OD2 1 \nATOM 2023 N N . ALA A 1 263 ? 31.874 8.302 9.828 1.00 23.94 ? 955 ALA A N 1 \nATOM 2024 C CA . ALA A 1 263 ? 30.497 8.895 9.752 1.00 27.43 ? 955 ALA A CA 1 \nATOM 2025 C C . ALA A 1 263 ? 29.398 7.840 9.609 1.00 26.35 ? 955 ALA A C 1 \nATOM 2026 O O . ALA A 1 263 ? 28.243 8.053 10.075 1.00 28.83 ? 955 ALA A O 1 \nATOM 2027 C CB . ALA A 1 263 ? 30.425 9.862 8.584 1.00 28.45 ? 955 ALA A CB 1 \nATOM 2028 N N . ASP A 1 264 ? 29.709 6.752 8.874 1.00 26.69 ? 956 ASP A N 1 \nATOM 2029 C CA . ASP A 1 264 ? 28.798 5.640 8.673 1.00 35.35 ? 956 ASP A CA 1 \nATOM 2030 C C . ASP A 1 264 ? 28.457 4.912 9.979 1.00 40.99 ? 956 ASP A C 1 \nATOM 2031 O O . ASP A 1 264 ? 27.404 4.282 10.089 1.00 37.36 ? 956 ASP A O 1 \nATOM 2032 C CB . ASP A 1 264 ? 29.334 4.636 7.633 1.00 32.05 ? 956 ASP A CB 1 \nATOM 2033 C CG . ASP A 1 264 ? 29.294 5.172 6.206 1.00 36.02 ? 956 ASP A CG 1 \nATOM 2034 O OD1 . ASP A 1 264 ? 28.299 5.828 5.811 1.00 35.49 ? 956 ASP A OD1 1 \nATOM 2035 O OD2 . ASP A 1 264 ? 30.257 4.924 5.444 1.00 34.40 ? 956 ASP A OD2 1 \nATOM 2036 N N . SER A 1 265 ? 29.350 4.987 10.957 1.00 27.19 ? 957 SER A N 1 \nATOM 2037 C CA . SER A 1 265 ? 29.096 4.376 12.282 1.00 33.80 ? 957 SER A CA 1 \nATOM 2038 C C . SER A 1 265 ? 28.258 5.210 13.267 1.00 30.15 ? 957 SER A C 1 \nATOM 2039 O O . SER A 1 265 ? 27.822 4.689 14.294 1.00 29.39 ? 957 SER A O 1 \nATOM 2040 C CB . SER A 1 265 ? 30.420 3.971 12.943 1.00 38.98 ? 957 SER A CB 1 \nATOM 2041 O OG . SER A 1 265 ? 30.965 2.841 12.272 1.00 49.31 ? 957 SER A OG 1 \nATOM 2042 N N . ARG A 1 266 ? 28.104 6.507 12.989 1.00 24.60 ? 958 ARG A N 1 \nATOM 2043 C CA . ARG A 1 266 ? 27.427 7.421 13.874 1.00 22.34 ? 958 ARG A CA 1 \nATOM 2044 C C . ARG A 1 266 ? 25.958 6.978 13.823 1.00 26.19 ? 958 ARG A C 1 \nATOM 2045 O O . ARG A 1 266 ? 25.567 6.399 12.818 1.00 29.89 ? 958 ARG A O 1 \nATOM 2046 C CB . ARG A 1 266 ? 27.487 8.840 13.320 1.00 22.29 ? 958 ARG A CB 1 \nATOM 2047 C CG . ARG A 1 266 ? 28.877 9.471 13.416 1.00 26.42 ? 958 ARG A CG 1 \nATOM 2048 C CD . ARG A 1 266 ? 28.968 10.829 12.731 1.00 21.30 ? 958 ARG A CD 1 \nATOM 2049 N NE . ARG A 1 266 ? 30.421 11.064 12.508 1.00 23.89 ? 958 ARG A NE 1 \nATOM 2050 C CZ . ARG A 1 266 ? 30.895 11.848 11.556 1.00 24.19 ? 958 ARG A CZ 1 \nATOM 2051 N NH1 . ARG A 1 266 ? 32.214 11.950 11.405 1.00 25.65 ? 958 ARG A NH1 1 \nATOM 2052 N NH2 . ARG A 1 266 ? 30.062 12.523 10.754 1.00 24.53 ? 958 ARG A NH2 1 \nATOM 2053 N N . PRO A 1 267 ? 25.180 7.292 14.873 1.00 25.41 ? 959 PRO A N 1 \nATOM 2054 C CA . PRO A 1 267 ? 23.727 6.979 14.901 1.00 29.19 ? 959 PRO A CA 1 \nATOM 2055 C C . PRO A 1 267 ? 23.027 7.670 13.743 1.00 29.90 ? 959 PRO A C 1 \nATOM 2056 O O . PRO A 1 267 ? 23.515 8.685 13.220 1.00 29.85 ? 959 PRO A O 1 \nATOM 2057 C CB . PRO A 1 267 ? 23.253 7.611 16.218 1.00 27.16 ? 959 PRO A CB 1 \nATOM 2058 C CG . PRO A 1 267 ? 24.496 7.779 17.044 1.00 33.36 ? 959 PRO A CG 1 \nATOM 2059 C CD . PRO A 1 267 ? 25.558 8.113 16.031 1.00 25.57 ? 959 PRO A CD 1 \nATOM 2060 N N . LYS A 1 268 ? 21.865 7.156 13.352 1.00 29.28 ? 960 LYS A N 1 \nATOM 2061 C CA . LYS A 1 268 ? 21.033 7.865 12.390 1.00 30.63 ? 960 LYS A CA 1 \nATOM 2062 C C . LYS A 1 268 ? 19.933 8.641 13.110 1.00 31.70 ? 960 LYS A C 1 \nATOM 2063 O O . LYS A 1 268 ? 19.543 8.314 14.221 1.00 28.52 ? 960 LYS A O 1 \nATOM 2064 C CB . LYS A 1 268 ? 20.365 6.870 11.429 1.00 32.29 ? 960 LYS A CB 1 \nATOM 2065 C CG . LYS A 1 268 ? 21.313 5.899 10.741 1.00 36.44 ? 960 LYS A CG 1 \nATOM 2066 C CD . LYS A 1 268 ? 22.209 6.612 9.746 1.00 37.47 ? 960 LYS A CD 1 \nATOM 2067 C CE . LYS A 1 268 ? 23.462 5.782 9.499 1.00 48.14 ? 960 LYS A CE 1 \nATOM 2068 N NZ . LYS A 1 268 ? 23.127 4.504 8.814 1.00 57.44 ? 960 LYS A NZ 1 \nATOM 2069 N N . PHE A 1 269 ? 19.394 9.652 12.456 1.00 24.91 ? 961 PHE A N 1 \nATOM 2070 C CA . PHE A 1 269 ? 18.433 10.468 13.137 1.00 26.97 ? 961 PHE A CA 1 \nATOM 2071 C C . PHE A 1 269 ? 17.237 9.612 13.525 1.00 22.48 ? 961 PHE A C 1 \nATOM 2072 O O . PHE A 1 269 ? 16.689 9.800 14.595 1.00 26.85 ? 961 PHE A O 1 \nATOM 2073 C CB . PHE A 1 269 ? 18.014 11.643 12.277 1.00 33.43 ? 961 PHE A CB 1 \nATOM 2074 C CG . PHE A 1 269 ? 19.026 12.743 12.274 1.00 24.90 ? 961 PHE A CG 1 \nATOM 2075 C CD1 . PHE A 1 269 ? 19.358 13.369 13.466 1.00 23.94 ? 961 PHE A CD1 1 \nATOM 2076 C CD2 . PHE A 1 269 ? 19.630 13.143 11.093 1.00 24.13 ? 961 PHE A CD2 1 \nATOM 2077 C CE1 . PHE A 1 269 ? 20.352 14.358 13.498 1.00 26.04 ? 961 PHE A CE1 1 \nATOM 2078 C CE2 . PHE A 1 269 ? 20.554 14.165 11.109 1.00 27.17 ? 961 PHE A CE2 1 \nATOM 2079 C CZ . PHE A 1 269 ? 20.904 14.778 12.306 1.00 25.42 ? 961 PHE A CZ 1 \nATOM 2080 N N . ARG A 1 270 ? 16.913 8.620 12.705 1.00 24.16 ? 962 ARG A N 1 \nATOM 2081 C CA . ARG A 1 270 ? 15.698 7.803 12.997 1.00 32.45 ? 962 ARG A CA 1 \nATOM 2082 C C . ARG A 1 270 ? 15.979 7.043 14.307 1.00 35.66 ? 962 ARG A C 1 \nATOM 2083 O O . ARG A 1 270 ? 15.109 6.916 15.173 1.00 34.39 ? 962 ARG A O 1 \nATOM 2084 C CB . ARG A 1 270 ? 15.393 6.848 11.821 1.00 36.50 ? 962 ARG A CB 1 \nATOM 2085 C CG . ARG A 1 270 ? 16.445 5.762 11.594 1.00 48.32 ? 962 ARG A CG 1 \nATOM 2086 C CD . ARG A 1 270 ? 16.647 5.384 10.127 1.00 72.54 ? 962 ARG A CD 1 \nATOM 2087 N NE . ARG A 1 270 ? 17.491 6.337 9.388 1.00 61.27 ? 962 ARG A NE 1 \nATOM 2088 C CZ . ARG A 1 270 ? 18.232 6.030 8.322 1.00 64.43 ? 962 ARG A CZ 1 \nATOM 2089 N NH1 . ARG A 1 270 ? 18.264 4.780 7.865 1.00 77.99 ? 962 ARG A NH1 1 \nATOM 2090 N NH2 . ARG A 1 270 ? 18.964 6.968 7.716 1.00 54.18 ? 962 ARG A NH2 1 \nATOM 2091 N N . GLU A 1 271 ? 17.232 6.598 14.462 1.00 30.85 ? 963 GLU A N 1 \nATOM 2092 C CA . GLU A 1 271 ? 17.713 5.932 15.695 1.00 32.05 ? 963 GLU A CA 1 \nATOM 2093 C C . GLU A 1 271 ? 17.723 6.833 16.937 1.00 31.45 ? 963 GLU A C 1 \nATOM 2094 O O . GLU A 1 271 ? 17.424 6.388 18.040 1.00 29.54 ? 963 GLU A O 1 \nATOM 2095 C CB . GLU A 1 271 ? 19.123 5.344 15.466 1.00 37.66 ? 963 GLU A CB 1 \nATOM 2096 C CG . GLU A 1 271 ? 19.140 4.191 14.463 1.00 39.70 ? 963 GLU A CG 1 \nATOM 2097 C CD . GLU A 1 271 ? 20.539 3.774 14.022 1.00 60.45 ? 963 GLU A CD 1 \nATOM 2098 O OE1 . GLU A 1 271 ? 20.644 2.752 13.313 1.00 56.23 ? 963 GLU A OE1 1 \nATOM 2099 O OE2 . GLU A 1 271 ? 21.533 4.453 14.369 1.00 41.38 ? 963 GLU A OE2 1 \nATOM 2100 N N . LEU A 1 272 ? 18.100 8.096 16.762 1.00 25.31 ? 964 LEU A N 1 \nATOM 2101 C CA . LEU A 1 272 ? 18.184 9.032 17.859 1.00 26.32 ? 964 LEU A CA 1 \nATOM 2102 C C . LEU A 1 272 ? 16.778 9.424 18.328 1.00 26.13 ? 964 LEU A C 1 \nATOM 2103 O O . LEU A 1 272 ? 16.542 9.584 19.516 1.00 28.65 ? 964 LEU A O 1 \nATOM 2104 C CB . LEU A 1 272 ? 18.960 10.264 17.395 1.00 25.89 ? 964 LEU A CB 1 \nATOM 2105 C CG . LEU A 1 272 ? 20.460 10.072 17.111 1.00 28.60 ? 964 LEU A CG 1 \nATOM 2106 C CD1 . LEU A 1 272 ? 20.942 11.251 16.261 1.00 28.66 ? 964 LEU A CD1 1 \nATOM 2107 C CD2 . LEU A 1 272 ? 21.206 9.996 18.428 1.00 27.47 ? 964 LEU A CD2 1 \nATOM 2108 N N . ILE A 1 273 ? 15.848 9.508 17.390 1.00 28.34 ? 965 ILE A N 1 \nATOM 2109 C CA . ILE A 1 273 ? 14.435 9.745 17.762 1.00 26.46 ? 965 ILE A CA 1 \nATOM 2110 C C . ILE A 1 273 ? 13.987 8.624 18.726 1.00 30.61 ? 965 ILE A C 1 \nATOM 2111 O O . ILE A 1 273 ? 13.446 8.890 19.807 1.00 35.75 ? 965 ILE A O 1 \nATOM 2112 C CB . ILE A 1 273 ? 13.507 9.775 16.531 1.00 25.40 ? 965 ILE A CB 1 \nATOM 2113 C CG1 . ILE A 1 273 ? 13.784 10.979 15.618 1.00 25.97 ? 965 ILE A CG1 1 \nATOM 2114 C CG2 . ILE A 1 273 ? 12.032 9.811 17.000 1.00 25.35 ? 965 ILE A CG2 1 \nATOM 2115 C CD1 . ILE A 1 273 ? 13.176 10.873 14.232 1.00 30.34 ? 965 ILE A CD1 1 \nATOM 2116 N N . ILE A 1 274 ? 14.233 7.375 18.338 1.00 29.68 ? 966 ILE A N 1 \nATOM 2117 C CA . ILE A 1 274 ? 13.841 6.221 19.176 1.00 33.21 ? 966 ILE A CA 1 \nATOM 2118 C C . ILE A 1 274 ? 14.534 6.232 20.529 1.00 36.70 ? 966 ILE A C 1 \nATOM 2119 O O . ILE A 1 274 ? 13.885 6.070 21.549 1.00 31.29 ? 966 ILE A O 1 \nATOM 2120 C CB . ILE A 1 274 ? 14.066 4.878 18.435 1.00 37.90 ? 966 ILE A CB 1 \nATOM 2121 C CG1 . ILE A 1 274 ? 13.175 4.837 17.184 1.00 35.13 ? 966 ILE A CG1 1 \nATOM 2122 C CG2 . ILE A 1 274 ? 13.825 3.690 19.359 1.00 38.22 ? 966 ILE A CG2 1 \nATOM 2123 C CD1 . ILE A 1 274 ? 13.473 3.718 16.211 1.00 39.64 ? 966 ILE A CD1 1 \nATOM 2124 N N . GLU A 1 275 ? 15.857 6.436 20.546 1.00 29.87 ? 967 GLU A N 1 \nATOM 2125 C CA . GLU A 1 275 ? 16.596 6.395 21.799 1.00 30.45 ? 967 GLU A CA 1 \nATOM 2126 C C . GLU A 1 275 ? 16.229 7.514 22.744 1.00 27.32 ? 967 GLU A C 1 \nATOM 2127 O O . GLU A 1 275 ? 16.050 7.279 23.938 1.00 31.31 ? 967 GLU A O 1 \nATOM 2128 C CB . GLU A 1 275 ? 18.118 6.417 21.550 1.00 29.82 ? 967 GLU A CB 1 \nATOM 2129 C CG . GLU A 1 275 ? 18.888 6.111 22.833 1.00 41.91 ? 967 GLU A CG 1 \nATOM 2130 C CD . GLU A 1 275 ? 20.220 5.413 22.612 1.00 67.96 ? 967 GLU A CD 1 \nATOM 2131 O OE1 . GLU A 1 275 ? 20.706 5.384 21.459 1.00 72.73 ? 967 GLU A OE1 1 \nATOM 2132 O OE2 . GLU A 1 275 ? 20.787 4.895 23.605 1.00 71.12 ? 967 GLU A OE2 1 \nATOM 2133 N N . PHE A 1 276 ? 16.157 8.746 22.244 1.00 25.09 ? 968 PHE A N 1 \nATOM 2134 C CA . PHE A 1 276 ? 15.799 9.825 23.118 1.00 24.70 ? 968 PHE A CA 1 \nATOM 2135 C C . PHE A 1 276 ? 14.334 9.732 23.526 1.00 27.77 ? 968 PHE A C 1 \nATOM 2136 O O . PHE A 1 276 ? 13.984 10.202 24.602 1.00 33.79 ? 968 PHE A O 1 \nATOM 2137 C CB . PHE A 1 276 ? 16.098 11.200 22.519 1.00 29.04 ? 968 PHE A CB 1 \nATOM 2138 C CG . PHE A 1 276 ? 17.534 11.615 22.687 1.00 26.08 ? 968 PHE A CG 1 \nATOM 2139 C CD1 . PHE A 1 276 ? 17.986 12.107 23.923 1.00 28.02 ? 968 PHE A CD1 1 \nATOM 2140 C CD2 . PHE A 1 276 ? 18.414 11.523 21.643 1.00 31.48 ? 968 PHE A CD2 1 \nATOM 2141 C CE1 . PHE A 1 276 ? 19.312 12.484 24.098 1.00 37.91 ? 968 PHE A CE1 1 \nATOM 2142 C CE2 . PHE A 1 276 ? 19.764 11.894 21.814 1.00 28.57 ? 968 PHE A CE2 1 \nATOM 2143 C CZ . PHE A 1 276 ? 20.193 12.375 23.040 1.00 28.34 ? 968 PHE A CZ 1 \nATOM 2144 N N . SER A 1 277 ? 13.498 9.131 22.682 1.00 30.87 ? 969 SER A N 1 \nATOM 2145 C CA . SER A 1 277 ? 12.068 8.965 23.060 1.00 33.85 ? 969 SER A CA 1 \nATOM 2146 C C . SER A 1 277 ? 11.898 7.999 24.228 1.00 33.17 ? 969 SER A C 1 \nATOM 2147 O O . SER A 1 277 ? 11.093 8.243 25.128 1.00 34.84 ? 969 SER A O 1 \nATOM 2148 C CB . SER A 1 277 ? 11.181 8.532 21.883 1.00 32.06 ? 969 SER A CB 1 \nATOM 2149 O OG . SER A 1 277 ? 10.991 9.585 20.955 1.00 33.02 ? 969 SER A OG 1 \nATOM 2150 N N . LYS A 1 278 ? 12.652 6.908 24.205 1.00 32.14 ? 970 LYS A N 1 \nATOM 2151 C CA . LYS A 1 278 ? 12.703 5.961 25.309 1.00 37.37 ? 970 LYS A CA 1 \nATOM 2152 C C . LYS A 1 278 ? 13.193 6.609 26.609 1.00 39.04 ? 970 LYS A C 1 \nATOM 2153 O O . LYS A 1 278 ? 12.638 6.378 27.685 1.00 34.22 ? 970 LYS A O 1 \nATOM 2154 C CB . LYS A 1 278 ? 13.586 4.781 24.930 1.00 44.71 ? 970 LYS A CB 1 \nATOM 2155 C CG . LYS A 1 278 ? 13.514 3.603 25.888 1.00 54.40 ? 970 LYS A CG 1 \nATOM 2156 C CD . LYS A 1 278 ? 14.842 2.871 25.914 1.00 66.75 ? 970 LYS A CD 1 \nATOM 2157 C CE . LYS A 1 278 ? 15.858 3.647 26.735 1.00 61.14 ? 970 LYS A CE 1 \nATOM 2158 N NZ . LYS A 1 278 ? 17.221 3.578 26.145 1.00 57.30 ? 970 LYS A NZ 1 \nATOM 2159 N N . MET A 1 279 ? 14.221 7.447 26.507 1.00 34.27 ? 971 MET A N 1 \nATOM 2160 C CA . MET A 1 279 ? 14.714 8.170 27.667 1.00 38.53 ? 971 MET A CA 1 \nATOM 2161 C C . MET A 1 279 ? 13.699 9.182 28.205 1.00 36.40 ? 971 MET A C 1 \nATOM 2162 O O . MET A 1 279 ? 13.541 9.326 29.421 1.00 37.01 ? 971 MET A O 1 \nATOM 2163 C CB . MET A 1 279 ? 16.045 8.860 27.343 1.00 32.59 ? 971 MET A CB 1 \nATOM 2164 C CG . MET A 1 279 ? 17.187 7.876 27.201 1.00 37.63 ? 971 MET A CG 1 \nATOM 2165 S SD . MET A 1 279 ? 18.730 8.693 26.743 1.00 42.65 ? 971 MET A SD 1 \nATOM 2166 C CE . MET A 1 279 ? 19.755 7.243 26.504 1.00 41.03 ? 971 MET A CE 1 \nATOM 2167 N N . ALA A 1 280 ? 13.022 9.881 27.306 1.00 35.63 ? 972 ALA A N 1 \nATOM 2168 C CA . ALA A 1 280 ? 12.009 10.863 27.707 1.00 40.29 ? 972 ALA A CA 1 \nATOM 2169 C C . ALA A 1 280 ? 10.846 10.214 28.471 1.00 39.74 ? 972 ALA A C 1 \nATOM 2170 O O . ALA A 1 280 ? 10.048 10.905 29.100 1.00 41.83 ? 972 ALA A O 1 \nATOM 2171 C CB . ALA A 1 280 ? 11.484 11.612 26.501 1.00 36.65 ? 972 ALA A CB 1 \nATOM 2172 N N . ARG A 1 281 ? 10.763 8.890 28.411 1.00 38.80 ? 973 ARG A N 1 \nATOM 2173 C CA . ARG A 1 281 ? 9.721 8.145 29.122 1.00 45.17 ? 973 ARG A CA 1 \nATOM 2174 C C . ARG A 1 281 ? 10.071 7.938 30.587 1.00 46.95 ? 973 ARG A C 1 \nATOM 2175 O O . ARG A 1 281 ? 9.193 7.680 31.408 1.00 46.82 ? 973 ARG A O 1 \nATOM 2176 C CB . ARG A 1 281 ? 9.460 6.799 28.448 1.00 49.11 ? 973 ARG A CB 1 \nATOM 2177 C CG . ARG A 1 281 ? 8.497 6.894 27.281 1.00 63.00 ? 973 ARG A CG 1 \nATOM 2178 C CD . ARG A 1 281 ? 8.006 5.523 26.852 1.00 68.86 ? 973 ARG A CD 1 \nATOM 2179 N NE . ARG A 1 281 ? 8.972 4.845 25.992 1.00 74.80 ? 973 ARG A NE 1 \nATOM 2180 C CZ . ARG A 1 281 ? 9.147 5.112 24.699 1.00 74.25 ? 973 ARG A CZ 1 \nATOM 2181 N NH1 . ARG A 1 281 ? 8.426 6.054 24.094 1.00 60.78 ? 973 ARG A NH1 1 \nATOM 2182 N NH2 . ARG A 1 281 ? 10.052 4.439 24.007 1.00 62.58 ? 973 ARG A NH2 1 \nATOM 2183 N N . ASP A 1 282 ? 11.356 8.059 30.913 1.00 44.27 ? 974 ASP A N 1 \nATOM 2184 C CA . ASP A 1 282 ? 11.825 7.902 32.281 1.00 40.09 ? 974 ASP A CA 1 \nATOM 2185 C C . ASP A 1 282 ? 12.989 8.886 32.485 1.00 43.22 ? 974 ASP A C 1 \nATOM 2186 O O . ASP A 1 282 ? 14.125 8.467 32.685 1.00 44.56 ? 974 ASP A O 1 \nATOM 2187 C CB . ASP A 1 282 ? 12.254 6.440 32.496 1.00 49.38 ? 974 ASP A CB 1 \nATOM 2188 C CG . ASP A 1 282 ? 12.701 6.146 33.922 1.00 50.59 ? 974 ASP A CG 1 \nATOM 2189 O OD1 . ASP A 1 282 ? 12.452 6.968 34.825 1.00 48.82 ? 974 ASP A OD1 1 \nATOM 2190 O OD2 . ASP A 1 282 ? 13.317 5.076 34.134 1.00 59.91 ? 974 ASP A OD2 1 \nATOM 2191 N N . PRO A 1 283 ? 12.706 10.199 32.427 1.00 47.74 ? 975 PRO A N 1 \nATOM 2192 C CA . PRO A 1 283 ? 13.787 11.200 32.291 1.00 38.86 ? 975 PRO A CA 1 \nATOM 2193 C C . PRO A 1 283 ? 14.784 11.235 33.452 1.00 49.16 ? 975 PRO A C 1 \nATOM 2194 O O . PRO A 1 283 ? 15.972 11.511 33.256 1.00 35.53 ? 975 PRO A O 1 \nATOM 2195 C CB . PRO A 1 283 ? 13.033 12.530 32.189 1.00 42.70 ? 975 PRO A CB 1 \nATOM 2196 C CG . PRO A 1 283 ? 11.678 12.271 32.763 1.00 40.71 ? 975 PRO A CG 1 \nATOM 2197 C CD . PRO A 1 283 ? 11.371 10.826 32.491 1.00 37.78 ? 975 PRO A CD 1 \nATOM 2198 N N . GLN A 1 284 ? 14.305 10.943 34.654 1.00 46.37 ? 976 GLN A N 1 \nATOM 2199 C CA . GLN A 1 284 ? 15.132 11.037 35.844 1.00 44.65 ? 976 GLN A CA 1 \nATOM 2200 C C . GLN A 1 284 ? 16.125 9.898 35.976 1.00 44.99 ? 976 GLN A C 1 \nATOM 2201 O O . GLN A 1 284 ? 17.103 10.018 36.712 1.00 46.21 ? 976 GLN A O 1 \nATOM 2202 C CB . GLN A 1 284 ? 14.268 11.228 37.092 1.00 49.69 ? 976 GLN A CB 1 \nATOM 2203 C CG . GLN A 1 284 ? 13.475 12.530 37.034 1.00 56.06 ? 976 GLN A CG 1 \nATOM 2204 C CD . GLN A 1 284 ? 12.517 12.716 38.191 1.00 63.88 ? 976 GLN A CD 1 \nATOM 2205 O OE1 . GLN A 1 284 ? 11.316 12.930 37.993 1.00 71.50 ? 976 GLN A OE1 1 \nATOM 2206 N NE2 . GLN A 1 284 ? 13.039 12.644 39.403 1.00 50.50 ? 976 GLN A NE2 1 \nATOM 2207 N N . ARG A 1 285 ? 15.884 8.808 35.243 1.00 42.74 ? 977 ARG A N 1 \nATOM 2208 C CA . ARG A 1 285 ? 16.888 7.757 35.069 1.00 45.63 ? 977 ARG A CA 1 \nATOM 2209 C C . ARG A 1 285 ? 18.112 8.246 34.274 1.00 43.53 ? 977 ARG A C 1 \nATOM 2210 O O . ARG A 1 285 ? 19.234 7.782 34.496 1.00 42.89 ? 977 ARG A O 1 \nATOM 2211 C CB . ARG A 1 285 ? 16.281 6.535 34.364 1.00 45.27 ? 977 ARG A CB 1 \nATOM 2212 C CG . ARG A 1 285 ? 17.132 5.283 34.472 1.00 46.22 ? 977 ARG A CG 1 \nATOM 2213 C CD . ARG A 1 285 ? 16.596 4.107 33.671 1.00 54.73 ? 977 ARG A CD 1 \nATOM 2214 N NE . ARG A 1 285 ? 17.709 3.226 33.297 1.00 57.38 ? 977 ARG A NE 1 \nATOM 2215 C CZ . ARG A 1 285 ? 17.623 2.135 32.532 1.00 64.89 ? 977 ARG A CZ 1 \nATOM 2216 N NH1 . ARG A 1 285 ? 18.720 1.429 32.275 1.00 58.85 ? 977 ARG A NH1 1 \nATOM 2217 N NH2 . ARG A 1 285 ? 16.465 1.744 32.016 1.00 46.96 ? 977 ARG A NH2 1 \nATOM 2218 N N . TYR A 1 286 ? 17.904 9.187 33.354 1.00 45.93 ? 978 TYR A N 1 \nATOM 2219 C CA . TYR A 1 286 ? 18.962 9.530 32.383 1.00 38.90 ? 978 TYR A CA 1 \nATOM 2220 C C . TYR A 1 286 ? 19.665 10.872 32.595 1.00 39.82 ? 978 TYR A C 1 \nATOM 2221 O O . TYR A 1 286 ? 20.848 11.039 32.216 1.00 32.24 ? 978 TYR A O 1 \nATOM 2222 C CB . TYR A 1 286 ? 18.411 9.401 30.966 1.00 35.50 ? 978 TYR A CB 1 \nATOM 2223 C CG . TYR A 1 286 ? 17.969 7.990 30.665 1.00 38.93 ? 978 TYR A CG 1 \nATOM 2224 C CD1 . TYR A 1 286 ? 16.619 7.628 30.743 1.00 41.70 ? 978 TYR A CD1 1 \nATOM 2225 C CD2 . TYR A 1 286 ? 18.900 7.009 30.321 1.00 39.01 ? 978 TYR A CD2 1 \nATOM 2226 C CE1 . TYR A 1 286 ? 16.211 6.324 30.474 1.00 40.99 ? 978 TYR A CE1 1 \nATOM 2227 C CE2 . TYR A 1 286 ? 18.500 5.699 30.064 1.00 43.77 ? 978 TYR A CE2 1 \nATOM 2228 C CZ . TYR A 1 286 ? 17.154 5.369 30.140 1.00 47.30 ? 978 TYR A CZ 1 \nATOM 2229 O OH . TYR A 1 286 ? 16.756 4.081 29.863 1.00 43.86 ? 978 TYR A OH 1 \nATOM 2230 N N . LEU A 1 287 ? 18.938 11.822 33.181 1.00 32.08 ? 979 LEU A N 1 \nATOM 2231 C CA . LEU A 1 287 ? 19.534 13.110 33.578 1.00 32.15 ? 979 LEU A CA 1 \nATOM 2232 C C . LEU A 1 287 ? 19.379 13.331 35.074 1.00 37.34 ? 979 LEU A C 1 \nATOM 2233 O O . LEU A 1 287 ? 18.300 13.095 35.640 1.00 40.97 ? 979 LEU A O 1 \nATOM 2234 C CB . LEU A 1 287 ? 18.920 14.286 32.787 1.00 32.90 ? 979 LEU A CB 1 \nATOM 2235 C CG . LEU A 1 287 ? 19.028 14.222 31.257 1.00 37.92 ? 979 LEU A CG 1 \nATOM 2236 C CD1 . LEU A 1 287 ? 18.289 15.375 30.604 1.00 34.76 ? 979 LEU A CD1 1 \nATOM 2237 C CD2 . LEU A 1 287 ? 20.481 14.218 30.787 1.00 30.23 ? 979 LEU A CD2 1 \nATOM 2238 N N . VAL A 1 288 ? 20.460 13.780 35.710 1.00 35.35 ? 980 VAL A N 1 \nATOM 2239 C CA . VAL A 1 288 ? 20.490 14.006 37.150 1.00 41.00 ? 980 VAL A CA 1 \nATOM 2240 C C . VAL A 1 288 ? 20.533 15.506 37.424 1.00 40.10 ? 980 VAL A C 1 \nATOM 2241 O O . VAL A 1 288 ? 21.585 16.134 37.309 1.00 40.40 ? 980 VAL A O 1 \nATOM 2242 C CB . VAL A 1 288 ? 21.692 13.297 37.827 1.00 41.35 ? 980 VAL A CB 1 \nATOM 2243 C CG1 . VAL A 1 288 ? 21.594 13.413 39.343 1.00 47.67 ? 980 VAL A CG1 1 \nATOM 2244 C CG2 . VAL A 1 288 ? 21.748 11.832 37.428 1.00 44.11 ? 980 VAL A CG2 1 \nATOM 2245 N N . ILE A 1 289 ? 19.380 16.067 37.785 1.00 38.21 ? 981 ILE A N 1 \nATOM 2246 C CA . ILE A 1 289 ? 19.229 17.500 38.005 1.00 41.44 ? 981 ILE A CA 1 \nATOM 2247 C C . ILE A 1 289 ? 18.665 17.708 39.411 1.00 50.08 ? 981 ILE A C 1 \nATOM 2248 O O . ILE A 1 289 ? 17.603 17.179 39.731 1.00 46.16 ? 981 ILE A O 1 \nATOM 2249 C CB . ILE A 1 289 ? 18.273 18.126 36.956 1.00 43.63 ? 981 ILE A CB 1 \nATOM 2250 C CG1 . ILE A 1 289 ? 18.811 17.912 35.526 1.00 40.45 ? 981 ILE A CG1 1 \nATOM 2251 C CG2 . ILE A 1 289 ? 18.020 19.603 37.244 1.00 44.86 ? 981 ILE A CG2 1 \nATOM 2252 C CD1 . ILE A 1 289 ? 17.808 18.200 34.428 1.00 44.41 ? 981 ILE A CD1 1 \nATOM 2253 N N . GLN A 1 290 ? 19.367 18.469 40.247 1.00 50.83 ? 982 GLN A N 1 \nATOM 2254 C CA . GLN A 1 290 ? 18.880 18.741 41.600 1.00 51.62 ? 982 GLN A CA 1 \nATOM 2255 C C . GLN A 1 290 ? 17.574 19.526 41.551 1.00 55.46 ? 982 GLN A C 1 \nATOM 2256 O O . GLN A 1 290 ? 17.480 20.552 40.874 1.00 57.81 ? 982 GLN A O 1 \nATOM 2257 C CB . GLN A 1 290 ? 19.919 19.503 42.417 1.00 66.60 ? 982 GLN A CB 1 \nATOM 2258 C CG . GLN A 1 290 ? 19.629 19.481 43.912 1.00 84.41 ? 982 GLN A CG 1 \nATOM 2259 C CD . GLN A 1 290 ? 20.596 20.323 44.721 1.00 91.98 ? 982 GLN A CD 1 \nATOM 2260 O OE1 . GLN A 1 290 ? 20.963 21.428 44.321 1.00 79.66 ? 982 GLN A OE1 1 \nATOM 2261 N NE2 . GLN A 1 290 ? 21.005 19.805 45.874 1.00 98.17 ? 982 GLN A NE2 1 \nATOM 2262 N N . GLY A 1 291 ? 16.564 19.031 42.260 1.00 57.34 ? 983 GLY A N 1 \nATOM 2263 C CA . GLY A 1 291 ? 15.272 19.707 42.324 1.00 58.56 ? 983 GLY A CA 1 \nATOM 2264 C C . GLY A 1 291 ? 14.382 19.380 41.140 1.00 64.74 ? 983 GLY A C 1 \nATOM 2265 O O . GLY A 1 291 ? 13.302 19.957 40.991 1.00 57.96 ? 983 GLY A O 1 \nATOM 2266 N N . ASP A 1 292 ? 14.829 18.429 40.319 1.00 58.41 ? 984 ASP A N 1 \nATOM 2267 C CA . ASP A 1 292 ? 14.153 18.052 39.082 1.00 50.51 ? 984 ASP A CA 1 \nATOM 2268 C C . ASP A 1 292 ? 12.631 17.979 39.234 1.00 54.41 ? 984 ASP A C 1 \nATOM 2269 O O . ASP A 1 292 ? 11.900 18.579 38.444 1.00 54.82 ? 984 ASP A O 1 \nATOM 2270 C CB . ASP A 1 292 ? 14.706 16.714 38.572 1.00 41.18 ? 984 ASP A CB 1 \nATOM 2271 C CG . ASP A 1 292 ? 14.494 16.510 37.081 1.00 51.31 ? 984 ASP A CG 1 \nATOM 2272 O OD1 . ASP A 1 292 ? 13.942 17.406 36.407 1.00 55.80 ? 984 ASP A OD1 1 \nATOM 2273 O OD2 . ASP A 1 292 ? 14.890 15.434 36.583 1.00 53.67 ? 984 ASP A OD2 1 \nATOM 2274 N N . GLU A 1 293 ? 12.168 17.250 40.250 1.00 61.44 ? 985 GLU A N 1 \nATOM 2275 C CA . GLU A 1 293 ? 10.734 17.068 40.514 1.00 75.39 ? 985 GLU A CA 1 \nATOM 2276 C C . GLU A 1 293 ? 9.997 18.398 40.742 1.00 70.39 ? 985 GLU A C 1 \nATOM 2277 O O . GLU A 1 293 ? 8.878 18.582 40.260 1.00 71.81 ? 985 GLU A O 1 \nATOM 2278 C CB . GLU A 1 293 ? 10.529 16.127 41.710 1.00 87.47 ? 985 GLU A CB 1 \nATOM 2279 C CG . GLU A 1 293 ? 9.132 15.530 41.829 1.00 106.30 ? 985 GLU A CG 1 \nATOM 2280 C CD . GLU A 1 293 ? 8.910 14.338 40.911 1.00 119.07 ? 985 GLU A CD 1 \nATOM 2281 O OE1 . GLU A 1 293 ? 9.723 13.387 40.948 1.00 109.24 ? 985 GLU A OE1 1 \nATOM 2282 O OE2 . GLU A 1 293 ? 7.911 14.345 40.160 1.00 120.64 ? 985 GLU A OE2 1 \nATOM 2283 N N . ARG A 1 294 ? 10.636 19.315 41.465 1.00 70.04 ? 986 ARG A N 1 \nATOM 2284 C CA . ARG A 1 294 ? 10.063 20.626 41.770 1.00 74.49 ? 986 ARG A CA 1 \nATOM 2285 C C . ARG A 1 294 ? 10.618 21.720 40.852 1.00 82.24 ? 986 ARG A C 1 \nATOM 2286 O O . ARG A 1 294 ? 11.241 22.679 41.317 1.00 98.92 ? 986 ARG A O 1 \nATOM 2287 C CB . ARG A 1 294 ? 10.291 20.990 43.249 1.00 78.16 ? 986 ARG A CB 1 \nATOM 2288 C CG . ARG A 1 294 ? 9.347 20.310 44.236 1.00 89.52 ? 986 ARG A CG 1 \nATOM 2289 C CD . ARG A 1 294 ? 9.857 18.947 44.685 1.00 91.30 ? 986 ARG A CD 1 \nATOM 2290 N NE . ARG A 1 294 ? 10.823 19.046 45.780 1.00 105.11 ? 986 ARG A NE 1 \nATOM 2291 C CZ . ARG A 1 294 ? 10.561 18.740 47.050 1.00 116.04 ? 986 ARG A CZ 1 \nATOM 2292 N NH1 . ARG A 1 294 ? 9.358 18.302 47.404 1.00 113.63 ? 986 ARG A NH1 1 \nATOM 2293 N NH2 . ARG A 1 294 ? 11.509 18.865 47.973 1.00 102.80 ? 986 ARG A NH2 1 \nATOM 2294 N N . MET A 1 295 ? 10.395 21.570 39.548 1.00 81.34 ? 987 MET A N 1 \nATOM 2295 C CA . MET A 1 295 ? 10.823 22.582 38.579 1.00 74.92 ? 987 MET A CA 1 \nATOM 2296 C C . MET A 1 295 ? 9.706 23.056 37.667 1.00 78.05 ? 987 MET A C 1 \nATOM 2297 O O . MET A 1 295 ? 9.112 22.272 36.924 1.00 65.68 ? 987 MET A O 1 \nATOM 2298 C CB . MET A 1 295 ? 12.022 22.112 37.756 1.00 80.36 ? 987 MET A CB 1 \nATOM 2299 C CG . MET A 1 295 ? 13.333 22.695 38.244 1.00 67.52 ? 987 MET A CG 1 \nATOM 2300 S SD . MET A 1 295 ? 14.745 21.861 37.521 1.00 74.21 ? 987 MET A SD 1 \nATOM 2301 C CE . MET A 1 295 ? 16.070 22.517 38.532 1.00 74.56 ? 987 MET A CE 1 \nATOM 2302 N N . HIS A 1 296 ? 9.450 24.356 37.730 1.00 94.20 ? 988 HIS A N 1 \nATOM 2303 C CA . HIS A 1 296 ? 8.340 24.980 37.028 1.00 94.97 ? 988 HIS A CA 1 \nATOM 2304 C C . HIS A 1 296 ? 8.871 25.986 36.014 1.00 76.90 ? 988 HIS A C 1 \nATOM 2305 O O . HIS A 1 296 ? 9.596 26.914 36.376 1.00 78.04 ? 988 HIS A O 1 \nATOM 2306 C CB . HIS A 1 296 ? 7.414 25.673 38.040 1.00 115.88 ? 988 HIS A CB 1 \nATOM 2307 C CG . HIS A 1 296 ? 8.135 26.558 39.016 1.00 132.41 ? 988 HIS A CG 1 \nATOM 2308 N ND1 . HIS A 1 296 ? 8.836 26.062 40.095 1.00 126.55 ? 988 HIS A ND1 1 \nATOM 2309 C CD2 . HIS A 1 296 ? 8.264 27.905 39.071 1.00 128.35 ? 988 HIS A CD2 1 \nATOM 2310 C CE1 . HIS A 1 296 ? 9.366 27.065 40.772 1.00 120.82 ? 988 HIS A CE1 1 \nATOM 2311 N NE2 . HIS A 1 296 ? 9.034 28.194 40.172 1.00 121.40 ? 988 HIS A NE2 1 \nATOM 2312 N N . LEU A 1 297 ? 8.529 25.798 34.744 1.00 61.44 ? 989 LEU A N 1 \nATOM 2313 C CA . LEU A 1 297 ? 8.944 26.763 33.728 1.00 72.63 ? 989 LEU A CA 1 \nATOM 2314 C C . LEU A 1 297 ? 8.065 28.009 33.747 1.00 85.75 ? 989 LEU A C 1 \nATOM 2315 O O . LEU A 1 297 ? 6.834 27.894 33.749 1.00 68.16 ? 989 LEU A O 1 \nATOM 2316 C CB . LEU A 1 297 ? 8.997 26.145 32.325 1.00 67.66 ? 989 LEU A CB 1 \nATOM 2317 C CG . LEU A 1 297 ? 10.311 25.454 31.936 1.00 67.91 ? 989 LEU A CG 1 \nATOM 2318 C CD1 . LEU A 1 297 ? 10.234 25.008 30.488 1.00 65.81 ? 989 LEU A CD1 1 \nATOM 2319 C CD2 . LEU A 1 297 ? 11.531 26.344 32.152 1.00 50.84 ? 989 LEU A CD2 1 \nATOM 2320 N N . PRO A 1 298 ? 8.700 29.202 33.773 1.00 86.52 ? 990 PRO A N 1 \nATOM 2321 C CA . PRO A 1 298 ? 7.985 30.476 33.786 1.00 89.95 ? 990 PRO A CA 1 \nATOM 2322 C C . PRO A 1 298 ? 7.082 30.614 32.576 1.00 85.79 ? 990 PRO A C 1 \nATOM 2323 O O . PRO A 1 298 ? 7.395 30.085 31.505 1.00 80.02 ? 990 PRO A O 1 \nATOM 2324 C CB . PRO A 1 298 ? 9.110 31.515 33.708 1.00 92.65 ? 990 PRO A CB 1 \nATOM 2325 C CG . PRO A 1 298 ? 10.305 30.821 34.259 1.00 91.35 ? 990 PRO A CG 1 \nATOM 2326 C CD . PRO A 1 298 ? 10.161 29.400 33.802 1.00 83.38 ? 990 PRO A CD 1 \nATOM 2327 N N . SER A 1 299 ? 5.965 31.312 32.762 1.00 84.48 ? 991 SER A N 1 \nATOM 2328 C CA . SER A 1 299 ? 5.051 31.639 31.676 1.00 93.44 ? 991 SER A CA 1 \nATOM 2329 C C . SER A 1 299 ? 5.854 32.156 30.482 1.00 92.51 ? 991 SER A C 1 \nATOM 2330 O O . SER A 1 299 ? 6.660 33.080 30.632 1.00 91.73 ? 991 SER A O 1 \nATOM 2331 C CB . SER A 1 299 ? 4.032 32.684 32.138 1.00 98.17 ? 991 SER A CB 1 \nATOM 2332 O OG . SER A 1 299 ? 3.057 32.924 31.141 1.00 92.32 ? 991 SER A OG 1 \nATOM 2333 N N . PRO A 1 300 ? 5.655 31.541 29.299 1.00 96.28 ? 992 PRO A N 1 \nATOM 2334 C CA . PRO A 1 300 ? 6.471 31.836 28.118 1.00 93.22 ? 992 PRO A CA 1 \nATOM 2335 C C . PRO A 1 300 ? 6.521 33.327 27.773 1.00 101.42 ? 992 PRO A C 1 \nATOM 2336 O O . PRO A 1 300 ? 7.588 33.832 27.417 1.00 105.40 ? 992 PRO A O 1 \nATOM 2337 C CB . PRO A 1 300 ? 5.781 31.044 26.999 1.00 89.86 ? 992 PRO A CB 1 \nATOM 2338 C CG . PRO A 1 300 ? 5.037 29.959 27.697 1.00 95.22 ? 992 PRO A CG 1 \nATOM 2339 C CD . PRO A 1 300 ? 4.610 30.540 29.012 1.00 100.69 ? 992 PRO A CD 1 \nATOM 2340 N N . THR A 1 301 ? 5.386 34.019 27.896 1.00 81.78 ? 993 THR A N 1 \nATOM 2341 C CA . THR A 1 301 ? 5.290 35.439 27.527 1.00 91.40 ? 993 THR A CA 1 \nATOM 2342 C C . THR A 1 301 ? 5.809 36.395 28.607 1.00 106.34 ? 993 THR A C 1 \nATOM 2343 O O . THR A 1 301 ? 5.974 37.594 28.355 1.00 103.45 ? 993 THR A O 1 \nATOM 2344 C CB . THR A 1 301 ? 3.857 35.833 27.114 1.00 90.34 ? 993 THR A CB 1 \nATOM 2345 O OG1 . THR A 1 301 ? 2.911 35.171 27.963 1.00 97.10 ? 993 THR A OG1 1 \nATOM 2346 C CG2 . THR A 1 301 ? 3.590 35.439 25.666 1.00 85.30 ? 993 THR A CG2 1 \nATOM 2347 N N . ASP A 1 302 ? 6.066 35.861 29.800 1.00 111.43 ? 994 ASP A N 1 \nATOM 2348 C CA . ASP A 1 302 ? 6.711 36.622 30.869 1.00 102.16 ? 994 ASP A CA 1 \nATOM 2349 C C . ASP A 1 302 ? 8.228 36.642 30.686 1.00 91.62 ? 994 ASP A C 1 \nATOM 2350 O O . ASP A 1 302 ? 8.942 37.286 31.459 1.00 91.58 ? 994 ASP A O 1 \nATOM 2351 C CB . ASP A 1 302 ? 6.352 36.050 32.248 1.00 102.74 ? 994 ASP A CB 1 \nATOM 2352 C CG . ASP A 1 302 ? 4.889 36.266 32.618 1.00 109.76 ? 994 ASP A CG 1 \nATOM 2353 O OD1 . ASP A 1 302 ? 4.078 36.622 31.733 1.00 97.63 ? 994 ASP A OD1 1 \nATOM 2354 O OD2 . ASP A 1 302 ? 4.551 36.072 33.807 1.00 97.59 ? 994 ASP A OD2 1 \nATOM 2355 N N . SER A 1 303 ? 8.716 35.937 29.664 1.00 82.22 ? 995 SER A N 1 \nATOM 2356 C CA . SER A 1 303 ? 10.146 35.925 29.364 1.00 72.60 ? 995 SER A CA 1 \nATOM 2357 C C . SER A 1 303 ? 10.578 37.299 28.878 1.00 75.53 ? 995 SER A C 1 \nATOM 2358 O O . SER A 1 303 ? 9.802 38.037 28.253 1.00 70.58 ? 995 SER A O 1 \nATOM 2359 C CB . SER A 1 303 ? 10.526 34.838 28.336 1.00 76.40 ? 995 SER A CB 1 \nATOM 2360 O OG . SER A 1 303 ? 10.649 35.348 27.010 1.00 56.44 ? 995 SER A OG 1 \nATOM 2361 N N . ASN A 1 304 ? 11.823 37.631 29.181 1.00 70.57 ? 996 ASN A N 1 \nATOM 2362 C CA . ASN A 1 304 ? 12.399 38.885 28.758 1.00 73.99 ? 996 ASN A CA 1 \nATOM 2363 C C . ASN A 1 304 ? 12.426 38.999 27.234 1.00 75.58 ? 996 ASN A C 1 \nATOM 2364 O O . ASN A 1 304 ? 12.012 40.027 26.679 1.00 73.07 ? 996 ASN A O 1 \nATOM 2365 C CB . ASN A 1 304 ? 13.791 39.042 29.372 1.00 63.63 ? 996 ASN A CB 1 \nATOM 2366 C CG . ASN A 1 304 ? 13.744 39.179 30.887 1.00 74.59 ? 996 ASN A CG 1 \nATOM 2367 O OD1 . ASN A 1 304 ? 12.766 39.689 31.448 1.00 68.42 ? 996 ASN A OD1 1 \nATOM 2368 N ND2 . ASN A 1 304 ? 14.799 38.723 31.558 1.00 60.65 ? 996 ASN A ND2 1 \nATOM 2369 N N . PHE A 1 305 ? 12.862 37.923 26.570 1.00 67.63 ? 997 PHE A N 1 \nATOM 2370 C CA . PHE A 1 305 ? 13.005 37.907 25.112 1.00 45.42 ? 997 PHE A CA 1 \nATOM 2371 C C . PHE A 1 305 ? 11.723 38.287 24.381 1.00 51.92 ? 997 PHE A C 1 \nATOM 2372 O O . PHE A 1 305 ? 11.767 39.103 23.461 1.00 62.38 ? 997 PHE A O 1 \nATOM 2373 C CB . PHE A 1 305 ? 13.574 36.568 24.597 1.00 55.03 ? 997 PHE A CB 1 \nATOM 2374 C CG . PHE A 1 305 ? 14.234 36.683 23.247 1.00 45.20 ? 997 PHE A CG 1 \nATOM 2375 C CD1 . PHE A 1 305 ? 13.478 36.619 22.079 1.00 41.23 ? 997 PHE A CD1 1 \nATOM 2376 C CD2 . PHE A 1 305 ? 15.601 36.904 23.143 1.00 48.66 ? 997 PHE A CD2 1 \nATOM 2377 C CE1 . PHE A 1 305 ? 14.070 36.757 20.831 1.00 36.44 ? 997 PHE A CE1 1 \nATOM 2378 C CE2 . PHE A 1 305 ? 16.208 37.047 21.903 1.00 48.46 ? 997 PHE A CE2 1 \nATOM 2379 C CZ . PHE A 1 305 ? 15.445 36.979 20.742 1.00 37.79 ? 997 PHE A CZ 1 \nATOM 2380 N N . TYR A 1 306 ? 10.589 37.715 24.789 1.00 43.98 ? 998 TYR A N 1 \nATOM 2381 C CA . TYR A 1 306 ? 9.319 37.981 24.111 1.00 50.06 ? 998 TYR A CA 1 \nATOM 2382 C C . TYR A 1 306 ? 8.932 39.466 24.207 1.00 52.66 ? 998 TYR A C 1 \nATOM 2383 O O . TYR A 1 306 ? 8.694 40.110 23.181 1.00 50.37 ? 998 TYR A O 1 \nATOM 2384 C CB . TYR A 1 306 ? 8.182 37.087 24.631 1.00 50.26 ? 998 TYR A CB 1 \nATOM 2385 C CG . TYR A 1 306 ? 6.861 37.329 23.917 1.00 53.59 ? 998 TYR A CG 1 \nATOM 2386 C CD1 . TYR A 1 306 ? 6.503 36.573 22.808 1.00 65.72 ? 998 TYR A CD1 1 \nATOM 2387 C CD2 . TYR A 1 306 ? 5.975 38.320 24.349 1.00 66.46 ? 998 TYR A CD2 1 \nATOM 2388 C CE1 . TYR A 1 306 ? 5.305 36.785 22.146 1.00 71.54 ? 998 TYR A CE1 1 \nATOM 2389 C CE2 . TYR A 1 306 ? 4.776 38.545 23.691 1.00 67.06 ? 998 TYR A CE2 1 \nATOM 2390 C CZ . TYR A 1 306 ? 4.445 37.775 22.590 1.00 81.38 ? 998 TYR A CZ 1 \nATOM 2391 O OH . TYR A 1 306 ? 3.255 37.987 21.927 1.00 83.86 ? 998 TYR A OH 1 \nATOM 2392 N N . ARG A 1 307 ? 8.874 39.991 25.432 1.00 56.42 ? 999 ARG A N 1 \nATOM 2393 C CA . ARG A 1 307 ? 8.503 41.399 25.661 1.00 66.76 ? 999 ARG A CA 1 \nATOM 2394 C C . ARG A 1 307 ? 9.413 42.378 24.905 1.00 72.09 ? 999 ARG A C 1 \nATOM 2395 O O . ARG A 1 307 ? 8.908 43.316 24.264 1.00 54.14 ? 999 ARG A O 1 \nATOM 2396 C CB . ARG A 1 307 ? 8.470 41.731 27.157 1.00 75.45 ? 999 ARG A CB 1 \nATOM 2397 C CG . ARG A 1 307 ? 7.216 41.268 27.883 1.00 74.94 ? 999 ARG A CG 1 \nATOM 2398 C CD . ARG A 1 307 ? 7.080 41.993 29.214 1.00 92.57 ? 999 ARG A CD 1 \nATOM 2399 N NE . ARG A 1 307 ? 5.868 41.637 29.954 1.00 100.40 ? 999 ARG A NE 1 \nATOM 2400 C CZ . ARG A 1 307 ? 4.684 42.235 29.815 1.00 91.52 ? 999 ARG A CZ 1 \nATOM 2401 N NH1 . ARG A 1 307 ? 3.653 41.834 30.548 1.00 82.09 ? 999 ARG A NH1 1 \nATOM 2402 N NH2 . ARG A 1 307 ? 4.521 43.229 28.948 1.00 73.74 ? 999 ARG A NH2 1 \nATOM 2403 N N . ALA A 1 308 ? 10.733 42.126 24.981 1.00 57.15 ? 1000 ALA A N 1 \nATOM 2404 C CA . ALA A 1 308 ? 11.789 42.855 24.248 1.00 68.38 ? 1000 ALA A CA 1 \nATOM 2405 C C . ALA A 1 308 ? 11.556 42.981 22.738 1.00 71.95 ? 1000 ALA A C 1 \nATOM 2406 O O . ALA A 1 308 ? 12.022 43.944 22.112 1.00 65.03 ? 1000 ALA A O 1 \nATOM 2407 C CB . ALA A 1 308 ? 13.165 42.217 24.502 1.00 40.39 ? 1000 ALA A CB 1 \nATOM 2408 N N . LEU A 1 309 ? 10.858 42.001 22.161 1.00 46.21 ? 1001 LEU A N 1 \nATOM 2409 C CA . LEU A 1 309 ? 10.599 41.970 20.736 1.00 40.49 ? 1001 LEU A CA 1 \nATOM 2410 C C . LEU A 1 309 ? 9.259 42.576 20.348 1.00 53.57 ? 1001 LEU A C 1 \nATOM 2411 O O . LEU A 1 309 ? 9.165 43.282 19.337 1.00 53.84 ? 1001 LEU A O 1 \nATOM 2412 C CB . LEU A 1 309 ? 10.631 40.517 20.238 1.00 45.77 ? 1001 LEU A CB 1 \nATOM 2413 C CG . LEU A 1 309 ? 11.848 40.057 19.447 1.00 44.23 ? 1001 LEU A CG 1 \nATOM 2414 C CD1 . LEU A 1 309 ? 13.080 40.042 20.339 1.00 48.87 ? 1001 LEU A CD1 1 \nATOM 2415 C CD2 . LEU A 1 309 ? 11.594 38.682 18.855 1.00 41.26 ? 1001 LEU A CD2 1 \nATOM 2416 N N . MET A 1 310 ? 8.227 42.280 21.138 1.00 53.10 ? 1002 MET A N 1 \nATOM 2417 C CA . MET A 1 310 ? 6.840 42.522 20.706 1.00 62.26 ? 1002 MET A CA 1 \nATOM 2418 C C . MET A 1 310 ? 6.179 43.786 21.256 1.00 69.68 ? 1002 MET A C 1 \nATOM 2419 O O . MET A 1 310 ? 5.263 44.326 20.625 1.00 61.34 ? 1002 MET A O 1 \nATOM 2420 C CB . MET A 1 310 ? 5.961 41.304 21.002 1.00 58.73 ? 1002 MET A CB 1 \nATOM 2421 C CG . MET A 1 310 ? 6.454 39.993 20.406 1.00 69.22 ? 1002 MET A CG 1 \nATOM 2422 S SD . MET A 1 310 ? 6.912 40.077 18.661 1.00 66.89 ? 1002 MET A SD 1 \nATOM 2423 C CE . MET A 1 310 ? 5.350 40.495 17.883 1.00 72.08 ? 1002 MET A CE 1 \nATOM 2424 N N . ASP A 1 311 ? 6.640 44.251 22.416 1.00 73.79 ? 1003 ASP A N 1 \nATOM 2425 C CA . ASP A 1 311 ? 6.024 45.404 23.095 1.00 93.71 ? 1003 ASP A CA 1 \nATOM 2426 C C . ASP A 1 311 ? 6.280 46.765 22.430 1.00 87.67 ? 1003 ASP A C 1 \nATOM 2427 O O . ASP A 1 311 ? 5.575 47.736 22.721 1.00 88.50 ? 1003 ASP A O 1 \nATOM 2428 C CB . ASP A 1 311 ? 6.420 45.449 24.578 1.00 89.49 ? 1003 ASP A CB 1 \nATOM 2429 C CG . ASP A 1 311 ? 5.643 44.452 25.426 1.00 94.17 ? 1003 ASP A CG 1 \nATOM 2430 O OD1 . ASP A 1 311 ? 5.332 43.344 24.936 1.00 89.80 ? 1003 ASP A OD1 1 \nATOM 2431 O OD2 . ASP A 1 311 ? 5.350 44.779 26.596 1.00 109.80 ? 1003 ASP A OD2 1 \nATOM 2432 N N . GLU A 1 312 ? 7.276 46.830 21.546 1.00 85.41 ? 1004 GLU A N 1 \nATOM 2433 C CA . GLU A 1 312 ? 7.565 48.046 20.781 1.00 93.45 ? 1004 GLU A CA 1 \nATOM 2434 C C . GLU A 1 312 ? 6.314 48.554 20.060 1.00 91.45 ? 1004 GLU A C 1 \nATOM 2435 O O . GLU A 1 312 ? 5.539 47.762 19.520 1.00 82.23 ? 1004 GLU A O 1 \nATOM 2436 C CB . GLU A 1 312 ? 8.690 47.788 19.775 1.00 93.39 ? 1004 GLU A CB 1 \nATOM 2437 C CG . GLU A 1 312 ? 9.148 49.021 19.005 1.00 94.09 ? 1004 GLU A CG 1 \nATOM 2438 C CD . GLU A 1 312 ? 10.248 48.715 18.005 1.00 101.52 ? 1004 GLU A CD 1 \nATOM 2439 O OE1 . GLU A 1 312 ? 10.530 49.583 17.147 1.00 80.73 ? 1004 GLU A OE1 1 \nATOM 2440 O OE2 . GLU A 1 312 ? 10.832 47.611 18.072 1.00 81.92 ? 1004 GLU A OE2 1 \nATOM 2441 N N . GLU A 1 313 ? 6.126 49.874 20.064 1.00 95.81 ? 1005 GLU A N 1 \nATOM 2442 C CA . GLU A 1 313 ? 4.944 50.509 19.468 1.00 104.88 ? 1005 GLU A CA 1 \nATOM 2443 C C . GLU A 1 313 ? 4.859 50.336 17.949 1.00 106.59 ? 1005 GLU A C 1 \nATOM 2444 O O . GLU A 1 313 ? 3.762 50.332 17.384 1.00 111.84 ? 1005 GLU A O 1 \nATOM 2445 C CB . GLU A 1 313 ? 4.872 51.991 19.851 1.00 104.00 ? 1005 GLU A CB 1 \nATOM 2446 C CG . GLU A 1 313 ? 4.303 52.231 21.243 1.00 107.89 ? 1005 GLU A CG 1 \nATOM 2447 C CD . GLU A 1 313 ? 4.496 53.654 21.742 1.00 110.98 ? 1005 GLU A CD 1 \nATOM 2448 O OE1 . GLU A 1 313 ? 4.178 53.906 22.925 1.00 95.43 ? 1005 GLU A OE1 1 \nATOM 2449 O OE2 . GLU A 1 313 ? 4.963 54.518 20.966 1.00 103.24 ? 1005 GLU A OE2 1 \nATOM 2450 N N . ASP A 1 314 ? 6.016 50.190 17.301 1.00 117.69 ? 1006 ASP A N 1 \nATOM 2451 C CA . ASP A 1 314 ? 6.085 49.910 15.862 1.00 122.83 ? 1006 ASP A CA 1 \nATOM 2452 C C . ASP A 1 314 ? 5.346 48.617 15.502 1.00 114.70 ? 1006 ASP A C 1 \nATOM 2453 O O . ASP A 1 314 ? 4.738 48.520 14.432 1.00 108.57 ? 1006 ASP A O 1 \nATOM 2454 C CB . ASP A 1 314 ? 7.541 49.857 15.382 1.00 123.65 ? 1006 ASP A CB 1 \nATOM 2455 C CG . ASP A 1 314 ? 8.165 51.241 15.222 1.00 120.44 ? 1006 ASP A CG 1 \nATOM 2456 O OD1 . ASP A 1 314 ? 7.426 52.226 15.000 1.00 108.22 ? 1006 ASP A OD1 1 \nATOM 2457 O OD2 . ASP A 1 314 ? 9.407 51.342 15.307 1.00 108.51 ? 1006 ASP A OD2 1 \nATOM 2458 N N . MET A 1 315 ? 5.403 47.637 16.405 1.00 95.23 ? 1007 MET A N 1 \nATOM 2459 C CA . MET A 1 315 ? 4.582 46.431 16.311 1.00 90.94 ? 1007 MET A CA 1 \nATOM 2460 C C . MET A 1 315 ? 3.162 46.781 16.768 1.00 99.19 ? 1007 MET A C 1 \nATOM 2461 O O . MET A 1 315 ? 2.757 46.435 17.880 1.00 109.79 ? 1007 MET A O 1 \nATOM 2462 C CB . MET A 1 315 ? 5.163 45.292 17.172 1.00 83.16 ? 1007 MET A CB 1 \nATOM 2463 C CG . MET A 1 315 ? 6.685 45.153 17.169 1.00 67.00 ? 1007 MET A CG 1 \nATOM 2464 S SD . MET A 1 315 ? 7.428 44.700 15.581 1.00 68.15 ? 1007 MET A SD 1 \nATOM 2465 C CE . MET A 1 315 ? 6.871 43.001 15.382 1.00 58.33 ? 1007 MET A CE 1 \nATOM 2466 N N . ASP A 1 316 ? 2.420 47.477 15.905 1.00 111.50 ? 1008 ASP A N 1 \nATOM 2467 C CA . ASP A 1 316 ? 1.107 48.039 16.253 1.00 111.00 ? 1008 ASP A CA 1 \nATOM 2468 C C . ASP A 1 316 ? 0.024 46.965 16.422 1.00 105.42 ? 1008 ASP A C 1 \nATOM 2469 O O . ASP A 1 316 ? -0.178 46.451 17.524 1.00 105.28 ? 1008 ASP A O 1 \nATOM 2470 C CB . ASP A 1 316 ? 0.682 49.099 15.220 1.00 123.41 ? 1008 ASP A CB 1 \nATOM 2471 C CG . ASP A 1 316 ? -0.499 49.949 15.690 1.00 120.55 ? 1008 ASP A CG 1 \nATOM 2472 O OD1 . ASP A 1 316 ? -1.629 49.728 15.200 1.00 80.53 ? 1008 ASP A OD1 1 \nATOM 2473 O OD2 . ASP A 1 316 ? -0.301 50.839 16.547 1.00 117.47 ? 1008 ASP A OD2 1 \nATOM 2474 N N . ASP A 1 317 ? -0.672 46.641 15.333 1.00 102.23 ? 1009 ASP A N 1 \nATOM 2475 C CA . ASP A 1 317 ? -1.728 45.629 15.348 1.00 100.67 ? 1009 ASP A CA 1 \nATOM 2476 C C . ASP A 1 317 ? -1.355 44.501 14.390 1.00 93.72 ? 1009 ASP A C 1 \nATOM 2477 O O . ASP A 1 317 ? -1.402 44.671 13.165 1.00 74.22 ? 1009 ASP A O 1 \nATOM 2478 C CB . ASP A 1 317 ? -3.084 46.245 14.971 1.00 101.82 ? 1009 ASP A CB 1 \nATOM 2479 C CG . ASP A 1 317 ? -3.662 47.128 16.072 1.00 113.32 ? 1009 ASP A CG 1 \nATOM 2480 O OD1 . ASP A 1 317 ? -4.035 48.284 15.777 1.00 104.40 ? 1009 ASP A OD1 1 \nATOM 2481 O OD2 . ASP A 1 317 ? -3.754 46.668 17.231 1.00 113.63 ? 1009 ASP A OD2 1 \nATOM 2482 N N . VAL A 1 318 ? -0.985 43.353 14.957 1.00 93.07 ? 1010 VAL A N 1 \nATOM 2483 C CA . VAL A 1 318 ? -0.383 42.257 14.187 1.00 80.23 ? 1010 VAL A CA 1 \nATOM 2484 C C . VAL A 1 318 ? -1.136 40.925 14.278 1.00 79.25 ? 1010 VAL A C 1 \nATOM 2485 O O . VAL A 1 318 ? -1.857 40.676 15.248 1.00 78.35 ? 1010 VAL A O 1 \nATOM 2486 C CB . VAL A 1 318 ? 1.103 42.050 14.572 1.00 82.37 ? 1010 VAL A CB 1 \nATOM 2487 C CG1 . VAL A 1 318 ? 1.915 43.299 14.251 1.00 87.87 ? 1010 VAL A CG1 1 \nATOM 2488 C CG2 . VAL A 1 318 ? 1.248 41.678 16.045 1.00 79.77 ? 1010 VAL A CG2 1 \nATOM 2489 N N . VAL A 1 319 ? -0.963 40.087 13.251 1.00 68.99 ? 1011 VAL A N 1 \nATOM 2490 C CA . VAL A 1 319 ? -1.523 38.727 13.204 1.00 64.51 ? 1011 VAL A CA 1 \nATOM 2491 C C . VAL A 1 319 ? -0.404 37.704 12.973 1.00 77.21 ? 1011 VAL A C 1 \nATOM 2492 O O . VAL A 1 319 ? 0.322 37.780 11.976 1.00 67.63 ? 1011 VAL A O 1 \nATOM 2493 C CB . VAL A 1 319 ? -2.604 38.567 12.100 1.00 69.31 ? 1011 VAL A CB 1 \nATOM 2494 C CG1 . VAL A 1 319 ? -3.068 37.117 11.995 1.00 73.03 ? 1011 VAL A CG1 1 \nATOM 2495 C CG2 . VAL A 1 319 ? -3.800 39.476 12.359 1.00 60.85 ? 1011 VAL A CG2 1 \nATOM 2496 N N . ASP A 1 320 ? -0.283 36.751 13.898 1.00 78.10 ? 1012 ASP A N 1 \nATOM 2497 C CA . ASP A 1 320 ? 0.709 35.675 13.829 1.00 78.78 ? 1012 ASP A CA 1 \nATOM 2498 C C . ASP A 1 320 ? 0.619 34.932 12.495 1.00 74.28 ? 1012 ASP A C 1 \nATOM 2499 O O . ASP A 1 320 ? -0.485 34.665 12.006 1.00 66.35 ? 1012 ASP A O 1 \nATOM 2500 C CB . ASP A 1 320 ? 0.493 34.703 14.996 1.00 81.42 ? 1012 ASP A CB 1 \nATOM 2501 C CG . ASP A 1 320 ? 1.685 33.798 15.237 1.00 99.02 ? 1012 ASP A CG 1 \nATOM 2502 O OD1 . ASP A 1 320 ? 2.690 34.271 15.810 1.00 104.15 ? 1012 ASP A OD1 1 \nATOM 2503 O OD2 . ASP A 1 320 ? 1.608 32.606 14.874 1.00 101.05 ? 1012 ASP A OD2 1 \nATOM 2504 N N . ALA A 1 321 ? 1.772 34.604 11.907 1.00 52.96 ? 1013 ALA A N 1 \nATOM 2505 C CA . ALA A 1 321 ? 1.813 33.912 10.605 1.00 59.48 ? 1013 ALA A CA 1 \nATOM 2506 C C . ALA A 1 321 ? 1.024 32.597 10.556 1.00 67.96 ? 1013 ALA A C 1 \nATOM 2507 O O . ALA A 1 321 ? 0.465 32.243 9.508 1.00 66.31 ? 1013 ALA A O 1 \nATOM 2508 C CB . ALA A 1 321 ? 3.243 33.702 10.139 1.00 62.75 ? 1013 ALA A CB 1 \nATOM 2509 N N . ASP A 1 322 ? 0.985 31.884 11.684 1.00 59.70 ? 1014 ASP A N 1 \nATOM 2510 C CA . ASP A 1 322 ? 0.200 30.654 11.812 1.00 74.24 ? 1014 ASP A CA 1 \nATOM 2511 C C . ASP A 1 322 ? -1.300 30.913 11.667 1.00 74.57 ? 1014 ASP A C 1 \nATOM 2512 O O . ASP A 1 322 ? -2.018 30.130 11.040 1.00 82.55 ? 1014 ASP A O 1 \nATOM 2513 C CB . ASP A 1 322 ? 0.476 29.981 13.160 1.00 83.80 ? 1014 ASP A CB 1 \nATOM 2514 C CG . ASP A 1 322 ? 1.930 29.578 13.328 1.00 86.76 ? 1014 ASP A CG 1 \nATOM 2515 O OD1 . ASP A 1 322 ? 2.458 29.709 14.454 1.00 96.46 ? 1014 ASP A OD1 1 \nATOM 2516 O OD2 . ASP A 1 322 ? 2.546 29.131 12.339 1.00 92.15 ? 1014 ASP A OD2 1 \nATOM 2517 N N . GLU A 1 323 ? -1.762 32.013 12.255 1.00 69.63 ? 1015 GLU A N 1 \nATOM 2518 C CA . GLU A 1 323 ? -3.169 32.406 12.205 1.00 84.01 ? 1015 GLU A CA 1 \nATOM 2519 C C . GLU A 1 323 ? -3.563 32.965 10.830 1.00 81.26 ? 1015 GLU A C 1 \nATOM 2520 O O . GLU A 1 323 ? -4.711 32.817 10.401 1.00 75.65 ? 1015 GLU A O 1 \nATOM 2521 C CB . GLU A 1 323 ? -3.466 33.432 13.304 1.00 89.15 ? 1015 GLU A CB 1 \nATOM 2522 C CG . GLU A 1 323 ? -4.941 33.592 13.645 1.00 106.04 ? 1015 GLU A CG 1 \nATOM 2523 C CD . GLU A 1 323 ? -5.193 34.639 14.717 1.00 119.25 ? 1015 GLU A CD 1 \nATOM 2524 O OE1 . GLU A 1 323 ? -4.251 34.982 15.465 1.00 124.44 ? 1015 GLU A OE1 1 \nATOM 2525 O OE2 . GLU A 1 323 ? -6.342 35.119 14.814 1.00 124.84 ? 1015 GLU A OE2 1 \nATOM 2526 N N . TYR A 1 324 ? -2.609 33.605 10.154 1.00 71.06 ? 1016 TYR A N 1 \nATOM 2527 C CA . TYR A 1 324 ? -2.825 34.180 8.825 1.00 72.33 ? 1016 TYR A CA 1 \nATOM 2528 C C . TYR A 1 324 ? -2.791 33.132 7.709 1.00 74.97 ? 1016 TYR A C 1 \nATOM 2529 O O . TYR A 1 324 ? -3.570 33.223 6.756 1.00 81.17 ? 1016 TYR A O 1 \nATOM 2530 C CB . TYR A 1 324 ? -1.810 35.297 8.549 1.00 84.93 ? 1016 TYR A CB 1 \nATOM 2531 C CG . TYR A 1 324 ? -1.665 35.681 7.088 1.00 86.99 ? 1016 TYR A CG 1 \nATOM 2532 C CD1 . TYR A 1 324 ? -0.805 34.974 6.243 1.00 91.38 ? 1016 TYR A CD1 1 \nATOM 2533 C CD2 . TYR A 1 324 ? -2.379 36.754 6.552 1.00 79.32 ? 1016 TYR A CD2 1 \nATOM 2534 C CE1 . TYR A 1 324 ? -0.668 35.316 4.908 1.00 95.57 ? 1016 TYR A CE1 1 \nATOM 2535 C CE2 . TYR A 1 324 ? -2.244 37.108 5.217 1.00 82.46 ? 1016 TYR A CE2 1 \nATOM 2536 C CZ . TYR A 1 324 ? -1.387 36.385 4.400 1.00 97.13 ? 1016 TYR A CZ 1 \nATOM 2537 O OH . TYR A 1 324 ? -1.236 36.717 3.072 1.00 93.34 ? 1016 TYR A OH 1 \nATOM 2538 N N . LEU A 1 325 ? -1.889 32.157 7.823 1.00 79.31 ? 1017 LEU A N 1 \nATOM 2539 C CA . LEU A 1 325 ? -1.752 31.089 6.826 1.00 78.37 ? 1017 LEU A CA 1 \nATOM 2540 C C . LEU A 1 325 ? -2.418 29.794 7.290 1.00 79.78 ? 1017 LEU A C 1 \nATOM 2541 O O . LEU A 1 325 ? -3.584 29.532 6.982 1.00 86.61 ? 1017 LEU A O 1 \nATOM 2542 C CB . LEU A 1 325 ? -0.272 30.850 6.492 1.00 96.14 ? 1017 LEU A CB 1 \nATOM 2543 C CG . LEU A 1 325 ? 0.143 29.601 5.697 1.00 116.26 ? 1017 LEU A CG 1 \nATOM 2544 C CD1 . LEU A 1 325 ? -0.313 29.652 4.243 1.00 121.68 ? 1017 LEU A CD1 1 \nATOM 2545 C CD2 . LEU A 1 325 ? 1.648 29.383 5.783 1.00 110.27 ? 1017 LEU A CD2 1 \nHETATM 2546 C C1 . W32 B 2 . ? 17.523 28.990 5.798 1.00 31.51 ? 1101 W32 A C1 1 \nHETATM 2547 C C2 . W32 B 2 . ? 16.291 28.418 6.080 1.00 30.31 ? 1101 W32 A C2 1 \nHETATM 2548 C C3 . W32 B 2 . ? 17.399 32.400 11.069 1.00 27.58 ? 1101 W32 A C3 1 \nHETATM 2549 C C4 . W32 B 2 . ? 17.766 30.265 6.269 1.00 29.96 ? 1101 W32 A C4 1 \nHETATM 2550 C C5 . W32 B 2 . ? 17.620 31.995 9.772 1.00 28.42 ? 1101 W32 A C5 1 \nHETATM 2551 C C6 . W32 B 2 . ? 15.605 30.408 7.268 1.00 28.58 ? 1101 W32 A C6 1 \nHETATM 2552 C C7 . W32 B 2 . ? 15.786 33.991 10.313 1.00 27.15 ? 1101 W32 A C7 1 \nHETATM 2553 C C8 . W32 B 2 . ? 12.748 33.566 13.379 1.00 31.64 ? 1101 W32 A C8 1 \nHETATM 2554 C C9 . W32 B 2 . ? 14.942 34.492 14.574 1.00 35.19 ? 1101 W32 A C9 1 \nHETATM 2555 C C10 . W32 B 2 . ? 15.370 29.134 6.809 1.00 25.91 ? 1101 W32 A C10 1 \nHETATM 2556 C C11 . W32 B 2 . ? 16.480 33.398 11.352 1.00 28.93 ? 1101 W32 A C11 1 \nHETATM 2557 C C12 . W32 B 2 . ? 16.830 30.965 6.994 1.00 32.48 ? 1101 W32 A C12 1 \nHETATM 2558 C C13 . W32 B 2 . ? 16.923 32.597 8.743 1.00 27.90 ? 1101 W32 A C13 1 \nHETATM 2559 C C14 . W32 B 2 . ? 15.995 33.592 9.009 1.00 29.12 ? 1101 W32 A C14 1 \nHETATM 2560 C C15 . W32 B 2 . ? 13.699 34.562 15.192 1.00 29.35 ? 1101 W32 A C15 1 \nHETATM 2561 C C16 . W32 B 2 . ? 14.989 33.935 13.305 1.00 35.49 ? 1101 W32 A C16 1 \nHETATM 2562 C C17 . W32 B 2 . ? 16.163 35.029 15.170 1.00 34.55 ? 1101 W32 A C17 1 \nHETATM 2563 C C18 . W32 B 2 . ? 16.443 35.196 16.465 1.00 31.64 ? 1101 W32 A C18 1 \nHETATM 2564 C C19 . W32 B 2 . ? 17.734 35.864 16.810 1.00 41.85 ? 1101 W32 A C19 1 \nHETATM 2565 C C20 . W32 B 2 . ? 15.566 34.815 17.582 1.00 34.23 ? 1101 W32 A C20 1 \nHETATM 2566 C C21 . W32 B 2 . ? 14.310 35.640 17.409 1.00 33.52 ? 1101 W32 A C21 1 \nHETATM 2567 C C22 . W32 B 2 . ? 23.039 35.053 18.700 1.00 86.61 ? 1101 W32 A C22 1 \nHETATM 2568 C C23 . W32 B 2 . ? 20.048 36.322 16.157 1.00 53.53 ? 1101 W32 A C23 1 \nHETATM 2569 C C24 . W32 B 2 . ? 20.735 35.538 17.258 1.00 62.21 ? 1101 W32 A C24 1 \nHETATM 2570 C C25 . W32 B 2 . ? 14.038 28.522 7.120 1.00 27.55 ? 1101 W32 A C25 1 \nHETATM 2571 N N26 . W32 B 2 . ? 12.598 34.091 14.590 1.00 29.72 ? 1101 W32 A N26 1 \nHETATM 2572 N N27 . W32 B 2 . ? 13.891 33.461 12.695 1.00 32.32 ? 1101 W32 A N27 1 \nHETATM 2573 N N28 . W32 B 2 . ? 13.391 35.060 16.456 1.00 30.86 ? 1101 W32 A N28 1 \nHETATM 2574 N N29 . W32 B 2 . ? 16.248 33.857 12.650 1.00 28.23 ? 1101 W32 A N29 1 \nHETATM 2575 N N30 . W32 B 2 . ? 18.733 35.791 15.867 1.00 40.18 ? 1101 W32 A N30 1 \nHETATM 2576 O O31 . W32 B 2 . ? 17.835 36.482 17.860 1.00 50.74 ? 1101 W32 A O31 1 \nHETATM 2577 O O32 . W32 B 2 . ? 23.066 36.437 16.489 1.00 63.85 ? 1101 W32 A O32 1 \nHETATM 2578 O O33 . W32 B 2 . ? 21.997 37.443 18.557 1.00 81.42 ? 1101 W32 A O33 1 \nHETATM 2579 O O34 . W32 B 2 . ? 17.118 32.249 7.424 1.00 30.16 ? 1101 W32 A O34 1 \nHETATM 2580 F F35 . W32 B 2 . ? 14.097 27.611 8.115 1.00 35.13 ? 1101 W32 A F35 1 \nHETATM 2581 F F36 . W32 B 2 . ? 13.166 29.438 7.562 1.00 34.11 ? 1101 W32 A F36 1 \nHETATM 2582 F F37 . W32 B 2 . ? 13.559 27.856 6.039 1.00 32.07 ? 1101 W32 A F37 1 \nHETATM 2583 S S38 . W32 B 2 . ? 22.276 36.305 17.700 1.00 84.11 ? 1101 W32 A S38 1 \nHETATM 2584 CL CL1 . W32 B 2 . ? 15.137 34.343 7.702 1.00 34.16 ? 1101 W32 A CL1 1 \nHETATM 2585 S S . SO4 C 3 . ? 28.315 33.136 22.172 1.00 54.09 ? 1102 SO4 A S 1 \nHETATM 2586 O O1 . SO4 C 3 . ? 27.668 33.301 20.863 1.00 50.36 ? 1102 SO4 A O1 1 \nHETATM 2587 O O2 . SO4 C 3 . ? 29.746 33.509 22.064 1.00 60.30 ? 1102 SO4 A O2 1 \nHETATM 2588 O O3 . SO4 C 3 . ? 28.196 31.721 22.585 1.00 45.28 ? 1102 SO4 A O3 1 \nHETATM 2589 O O4 . SO4 C 3 . ? 27.636 33.973 23.182 1.00 70.80 ? 1102 SO4 A O4 1 \nHETATM 2590 O O . HOH D 4 . ? 18.952 33.681 13.748 1.00 30.72 ? 2001 HOH A O 1 \nHETATM 2591 O O . HOH D 4 . ? 35.442 12.036 9.937 1.00 30.09 ? 2002 HOH A O 1 \nHETATM 2592 O O . HOH D 4 . ? 24.978 20.704 10.598 1.00 31.13 ? 2003 HOH A O 1 \nHETATM 2593 O O . HOH D 4 . ? 34.337 20.372 15.165 1.00 28.11 ? 2004 HOH A O 1 \nHETATM 2594 O O . HOH D 4 . ? 6.509 21.354 -6.071 1.00 29.38 ? 2005 HOH A O 1 \nHETATM 2595 O O . HOH D 4 . ? 26.485 18.720 8.106 1.00 30.82 ? 2006 HOH A O 1 \nHETATM 2596 O O . HOH D 4 . ? 20.845 10.119 9.908 1.00 30.60 ? 2007 HOH A O 1 \nHETATM 2597 O O . HOH D 4 . ? 17.257 9.102 9.766 1.00 32.20 ? 2008 HOH A O 1 \nHETATM 2598 O O . HOH D 4 . ? 36.130 7.683 16.487 1.00 38.69 ? 2009 HOH A O 1 \nHETATM 2599 O O . HOH D 4 . ? 13.664 30.957 11.228 1.00 31.50 ? 2010 HOH A O 1 \nHETATM 2600 O O . HOH D 4 . ? 23.367 25.952 6.551 1.00 37.12 ? 2011 HOH A O 1 \nHETATM 2601 O O . HOH D 4 . ? 30.886 28.537 28.215 1.00 40.46 ? 2012 HOH A O 1 \nHETATM 2602 O O . HOH D 4 . ? 32.756 19.653 17.155 1.00 28.58 ? 2013 HOH A O 1 \nHETATM 2603 O O . HOH D 4 . ? 21.686 36.822 -11.628 1.00 56.11 ? 2014 HOH A O 1 \nHETATM 2604 O O . HOH D 4 . ? 39.487 7.019 16.025 1.00 50.43 ? 2015 HOH A O 1 \nHETATM 2605 O O . HOH D 4 . ? 24.717 27.461 19.113 1.00 29.62 ? 2016 HOH A O 1 \nHETATM 2606 O O . HOH D 4 . ? 26.919 27.315 22.960 1.00 32.92 ? 2017 HOH A O 1 \nHETATM 2607 O O . HOH D 4 . ? 21.677 19.209 0.486 1.00 37.84 ? 2018 HOH A O 1 \nHETATM 2608 O O . HOH D 4 . ? 8.443 31.994 19.416 1.00 35.04 ? 2019 HOH A O 1 \nHETATM 2609 O O . HOH D 4 . ? 17.135 42.163 -0.961 1.00 57.68 ? 2020 HOH A O 1 \nHETATM 2610 O O . HOH D 4 . ? 36.632 30.489 18.215 1.00 60.99 ? 2021 HOH A O 1 \nHETATM 2611 O O . HOH D 4 . ? 33.379 16.584 20.716 1.00 38.49 ? 2022 HOH A O 1 \nHETATM 2612 O O . HOH D 4 . ? 25.300 19.757 32.915 1.00 32.97 ? 2023 HOH A O 1 \nHETATM 2613 O O . HOH D 4 . ? 33.014 27.649 15.526 1.00 36.60 ? 2024 HOH A O 1 \nHETATM 2614 O O . HOH D 4 . ? 33.617 10.243 19.744 1.00 33.88 ? 2025 HOH A O 1 \nHETATM 2615 O O . HOH D 4 . ? 7.754 30.842 8.414 1.00 40.67 ? 2026 HOH A O 1 \nHETATM 2616 O O . HOH D 4 . ? 10.668 30.874 11.297 1.00 33.82 ? 2027 HOH A O 1 \nHETATM 2617 O O . HOH D 4 . ? 26.832 24.553 13.022 1.00 39.16 ? 2028 HOH A O 1 \nHETATM 2618 O O . HOH D 4 . ? 21.042 33.463 11.806 1.00 38.83 ? 2029 HOH A O 1 \nHETATM 2619 O O . HOH D 4 . ? 7.739 23.297 8.108 1.00 42.86 ? 2030 HOH A O 1 \nHETATM 2620 O O . HOH D 4 . ? 10.905 13.095 11.221 1.00 32.44 ? 2031 HOH A O 1 \nHETATM 2621 O O . HOH D 4 . ? 12.309 6.679 14.280 1.00 40.84 ? 2032 HOH A O 1 \nHETATM 2622 O O . HOH D 4 . ? 6.371 16.396 8.444 1.00 42.41 ? 2033 HOH A O 1 \nHETATM 2623 O O . HOH D 4 . ? 11.382 8.774 7.622 1.00 36.18 ? 2034 HOH A O 1 \nHETATM 2624 O O . HOH D 4 . ? 37.978 12.473 9.028 1.00 37.99 ? 2035 HOH A O 1 \nHETATM 2625 O O . HOH D 4 . ? 26.334 29.616 19.096 1.00 35.40 ? 2036 HOH A O 1 \nHETATM 2626 O O . HOH D 4 . ? 28.085 29.293 21.311 1.00 33.80 ? 2037 HOH A O 1 \nHETATM 2627 O O . HOH D 4 . ? 29.678 19.189 9.597 1.00 38.78 ? 2038 HOH A O 1 \nHETATM 2628 O O . HOH D 4 . ? 18.829 31.034 14.369 1.00 42.03 ? 2039 HOH A O 1 \nHETATM 2629 O O . HOH D 4 . ? 38.239 13.151 6.193 1.00 35.39 ? 2040 HOH A O 1 \nHETATM 2630 O O . HOH D 4 . ? 42.253 18.534 4.456 1.00 39.85 ? 2041 HOH A O 1 \nHETATM 2631 O O . HOH D 4 . ? 35.880 6.018 8.596 1.00 41.37 ? 2042 HOH A O 1 \nHETATM 2632 O O . HOH D 4 . ? 6.868 14.238 27.659 1.00 57.08 ? 2043 HOH A O 1 \nHETATM 2633 O O . HOH D 4 . ? 25.840 9.403 3.926 1.00 37.52 ? 2044 HOH A O 1 \nHETATM 2634 O O . HOH D 4 . ? 23.916 10.923 4.843 1.00 36.39 ? 2045 HOH A O 1 \nHETATM 2635 O O . HOH D 4 . ? 22.297 9.245 6.744 1.00 32.79 ? 2046 HOH A O 1 \nHETATM 2636 O O . HOH D 4 . ? 25.735 6.067 7.008 1.00 36.43 ? 2047 HOH A O 1 \nHETATM 2637 O O . HOH D 4 . ? 25.275 3.366 7.768 1.00 39.99 ? 2048 HOH A O 1 \nHETATM 2638 O O . HOH D 4 . ? 31.874 2.778 6.260 1.00 50.43 ? 2049 HOH A O 1 \nHETATM 2639 O O . HOH D 4 . ? 35.219 5.807 14.085 1.00 38.24 ? 2050 HOH A O 1 \nHETATM 2640 O O . HOH D 4 . ? 21.161 14.370 0.807 1.00 42.08 ? 2051 HOH A O 1 \nHETATM 2641 O O . HOH D 4 . ? 23.868 13.162 2.145 1.00 37.79 ? 2052 HOH A O 1 \nHETATM 2642 O O . HOH D 4 . ? 17.291 14.374 37.680 1.00 50.83 ? 2053 HOH A O 1 \nHETATM 2643 O O . HOH D 4 . ? 34.232 13.602 30.125 1.00 38.30 ? 2054 HOH A O 1 \nHETATM 2644 O O . HOH D 4 . ? 24.841 32.749 10.356 1.00 44.08 ? 2055 HOH A O 1 \nHETATM 2645 O O . HOH D 4 . ? 29.807 17.978 0.516 1.00 38.25 ? 2056 HOH A O 1 \nHETATM 2646 O O . HOH D 4 . ? 6.362 17.239 3.587 1.00 38.89 ? 2057 HOH A O 1 \nHETATM 2647 O O . HOH D 4 . ? 44.102 21.764 13.753 1.00 42.91 ? 2058 HOH A O 1 \nHETATM 2648 O O . HOH D 4 . ? 34.739 22.287 26.071 1.00 41.30 ? 2059 HOH A O 1 \nHETATM 2649 O O . HOH D 4 . ? 19.809 15.737 8.120 1.00 39.13 ? 2060 HOH A O 1 \nHETATM 2650 O O . HOH D 4 . ? 34.786 23.238 5.336 1.00 41.49 ? 2061 HOH A O 1 \nHETATM 2651 O O . HOH D 4 . ? 11.549 4.709 21.682 1.00 43.83 ? 2062 HOH A O 1 \nHETATM 2652 O O . HOH D 4 . ? 32.328 28.947 -3.320 1.00 46.43 ? 2063 HOH A O 1 \nHETATM 2653 O O . HOH D 4 . ? 15.198 32.353 23.952 1.00 39.56 ? 2064 HOH A O 1 \nHETATM 2654 O O . HOH D 4 . ? 27.994 8.896 5.683 1.00 34.43 ? 2065 HOH A O 1 \nHETATM 2655 O O . HOH D 4 . ? 7.938 16.137 22.485 1.00 51.73 ? 2066 HOH A O 1 \nHETATM 2656 O O . HOH D 4 . ? 6.882 48.187 -5.358 1.00 52.22 ? 2067 HOH A O 1 \nHETATM 2657 O O . HOH D 4 . ? 7.809 14.973 13.054 1.00 45.62 ? 2068 HOH A O 1 \nHETATM 2658 O O . HOH D 4 . ? 9.129 11.157 13.552 1.00 51.16 ? 2069 HOH A O 1 \nHETATM 2659 O O . HOH D 4 . ? 8.607 28.931 10.382 1.00 44.69 ? 2070 HOH A O 1 \nHETATM 2660 O O . HOH D 4 . ? 17.819 11.733 38.870 1.00 43.75 ? 2071 HOH A O 1 \nHETATM 2661 O O . HOH D 4 . ? 19.521 9.398 3.628 1.00 43.64 ? 2072 HOH A O 1 \nHETATM 2662 O O . HOH D 4 . ? 32.704 24.308 4.378 1.00 40.08 ? 2073 HOH A O 1 \nHETATM 2663 O O . HOH D 4 . ? 40.870 23.271 12.777 1.00 44.98 ? 2074 HOH A O 1 \nHETATM 2664 O O . HOH D 4 . ? 7.122 11.266 27.389 1.00 56.70 ? 2075 HOH A O 1 \nHETATM 2665 O O . HOH D 4 . ? 43.891 19.989 6.225 1.00 53.70 ? 2076 HOH A O 1 \nHETATM 2666 O O . HOH D 4 . ? 30.592 29.461 20.862 1.00 40.74 ? 2077 HOH A O 1 \nHETATM 2667 O O . HOH D 4 . ? 43.928 19.888 24.129 1.00 59.50 ? 2078 HOH A O 1 \nHETATM 2668 O O . HOH D 4 . ? 28.233 24.649 -1.481 1.00 49.45 ? 2079 HOH A O 1 \nHETATM 2669 O O . HOH D 4 . ? 37.537 9.737 20.442 1.00 49.24 ? 2080 HOH A O 1 \nHETATM 2670 O O . HOH D 4 . ? 26.400 4.566 16.784 1.00 49.49 ? 2081 HOH A O 1 \nHETATM 2671 O O . HOH D 4 . ? 9.514 5.252 19.588 1.00 60.51 ? 2082 HOH A O 1 \n# \nloop_\n_atom_site_anisotrop.id \n_atom_site_anisotrop.type_symbol \n_atom_site_anisotrop.pdbx_label_atom_id \n_atom_site_anisotrop.pdbx_label_alt_id \n_atom_site_anisotrop.pdbx_label_comp_id \n_atom_site_anisotrop.pdbx_label_asym_id \n_atom_site_anisotrop.pdbx_label_seq_id \n_atom_site_anisotrop.pdbx_PDB_ins_code \n_atom_site_anisotrop.U[1][1] \n_atom_site_anisotrop.U[2][2] \n_atom_site_anisotrop.U[3][3] \n_atom_site_anisotrop.U[1][2] \n_atom_site_anisotrop.U[1][3] \n_atom_site_anisotrop.U[2][3] \n_atom_site_anisotrop.pdbx_auth_seq_id \n_atom_site_anisotrop.pdbx_auth_comp_id \n_atom_site_anisotrop.pdbx_auth_asym_id \n_atom_site_anisotrop.pdbx_auth_atom_id \n1 N N . GLN A 9 ? 0.5420 0.5609 0.7188 0.0196 -0.0946 0.0018 701 GLN A N \n2 C CA . GLN A 9 ? 0.5718 0.6034 0.7606 0.0189 -0.0889 0.0026 701 GLN A CA \n3 C C . GLN A 9 ? 0.5291 0.5587 0.7054 0.0136 -0.0837 0.0025 701 GLN A C \n4 O O . GLN A 9 ? 0.5250 0.5624 0.7078 0.0121 -0.0798 0.0032 701 GLN A O \n5 C CB . GLN A 9 ? 0.7425 0.7772 0.9441 0.0183 -0.0959 0.0044 701 GLN A CB \n6 C CG . GLN A 9 ? 0.9845 1.0353 1.2070 0.0212 -0.0913 0.0051 701 GLN A CG \n7 C CD . GLN A 9 ? 1.2016 1.2555 1.4362 0.0193 -0.0983 0.0073 701 GLN A CD \n8 O OE1 . GLN A 9 ? 1.1085 1.1671 1.3582 0.0228 -0.1033 0.0080 701 GLN A OE1 \n9 N NE2 . GLN A 9 ? 1.1782 1.2293 1.4064 0.0139 -0.0989 0.0084 701 GLN A NE2 \n10 N N . ALA A 10 ? 0.5196 0.5388 0.6783 0.0110 -0.0835 0.0016 702 ALA A N \n11 C CA . ALA A 10 ? 0.4921 0.5092 0.6387 0.0066 -0.0783 0.0012 702 ALA A CA \n12 C C . ALA A 10 ? 0.5473 0.5756 0.7003 0.0082 -0.0688 0.0005 702 ALA A C \n13 O O . ALA A 10 ? 0.4974 0.5312 0.6570 0.0124 -0.0653 -0.0001 702 ALA A O \n14 C CB . ALA A 10 ? 0.4911 0.4965 0.6197 0.0041 -0.0793 0.0005 702 ALA A CB \n15 N N . LEU A 11 ? 0.4239 0.4548 0.5741 0.0049 -0.0649 0.0006 703 LEU A N \n16 C CA . LEU A 11 ? 0.4156 0.4550 0.5689 0.0058 -0.0563 0.0000 703 LEU A CA \n17 C C . LEU A 11 ? 0.4192 0.4552 0.5621 0.0060 -0.0523 -0.0012 703 LEU A C \n18 O O . LEU A 11 ? 0.4334 0.4749 0.5807 0.0091 -0.0473 -0.0019 703 LEU A O \n19 C CB . LEU A 11 ? 0.3930 0.4338 0.5436 0.0021 -0.0540 0.0002 703 LEU A CB \n20 C CG . LEU A 11 ? 0.5234 0.5745 0.6820 0.0032 -0.0469 0.0001 703 LEU A CG \n21 C CD1 . LEU A 11 ? 0.5515 0.6118 0.7256 0.0071 -0.0456 0.0008 703 LEU A CD1 \n22 C CD2 . LEU A 11 ? 0.4888 0.5405 0.6470 0.0000 -0.0470 0.0007 703 LEU A CD2 \n23 N N . LEU A 12 ? 0.3764 0.4028 0.5052 0.0025 -0.0546 -0.0015 704 LEU A N \n24 C CA . LEU A 12 ? 0.3710 0.3925 0.4891 0.0020 -0.0524 -0.0024 704 LEU A CA \n25 C C . LEU A 12 ? 0.3995 0.4124 0.5132 0.0031 -0.0588 -0.0022 704 LEU A C \n26 O O . LEU A 12 ? 0.4022 0.4059 0.5070 0.0000 -0.0643 -0.0017 704 LEU A O \n27 C CB . LEU A 12 ? 0.3820 0.3990 0.4875 -0.0028 -0.0503 -0.0028 704 LEU A CB \n28 C CG . LEU A 12 ? 0.4517 0.4647 0.5466 -0.0044 -0.0477 -0.0034 704 LEU A CG \n29 C CD1 . LEU A 12 ? 0.3941 0.4144 0.4944 -0.0015 -0.0418 -0.0040 704 LEU A CD1 \n30 C CD2 . LEU A 12 ? 0.4643 0.4734 0.5479 -0.0094 -0.0458 -0.0037 704 LEU A CD2 \n31 N N . ARG A 13 ? 0.4031 0.4183 0.5225 0.0076 -0.0582 -0.0027 705 ARG A N \n32 C CA . ARG A 13 ? 0.4373 0.4437 0.5524 0.0093 -0.0645 -0.0027 705 ARG A CA \n33 C C . ARG A 13 ? 0.4882 0.4845 0.5869 0.0059 -0.0653 -0.0029 705 ARG A C \n34 O O . ARG A 13 ? 0.4859 0.4841 0.5800 0.0050 -0.0597 -0.0034 705 ARG A O \n35 C CB . ARG A 13 ? 0.5446 0.5561 0.6704 0.0157 -0.0635 -0.0034 705 ARG A CB \n36 C CG . ARG A 13 ? 0.5619 0.5820 0.7045 0.0191 -0.0647 -0.0029 705 ARG A CG \n37 C CD . ARG A 13 ? 0.7699 0.7979 0.9236 0.0253 -0.0604 -0.0039 705 ARG A CD \n38 N NE . ARG A 13 ? 1.0335 1.0620 1.1977 0.0299 -0.0658 -0.0039 705 ARG A NE \n39 C CZ . ARG A 13 ? 1.1062 1.1447 1.2872 0.0325 -0.0657 -0.0033 705 ARG A CZ \n40 N NH1 . ARG A 13 ? 1.1689 1.2171 1.3574 0.0307 -0.0606 -0.0026 705 ARG A NH1 \n41 N NH2 . ARG A 13 ? 1.0971 1.1359 1.2879 0.0370 -0.0711 -0.0035 705 ARG A NH2 \n42 N N . ILE A 14 ? 0.4766 0.4618 0.5663 0.0037 -0.0725 -0.0023 706 ILE A N \n43 C CA . ILE A 14 ? 0.5346 0.5092 0.6083 0.0000 -0.0739 -0.0022 706 ILE A CA \n44 C C . ILE A 14 ? 0.5844 0.5540 0.6582 0.0043 -0.0776 -0.0026 706 ILE A C \n45 O O . ILE A 14 ? 0.5473 0.5111 0.6227 0.0063 -0.0849 -0.0023 706 ILE A O \n46 C CB . ILE A 14 ? 0.6555 0.6189 0.7171 -0.0052 -0.0798 -0.0012 706 ILE A CB \n47 C CG1 . ILE A 14 ? 0.6363 0.6039 0.6991 -0.0084 -0.0774 -0.0010 706 ILE A CG1 \n48 C CG2 . ILE A 14 ? 0.6817 0.6350 0.7265 -0.0098 -0.0802 -0.0009 706 ILE A CG2 \n49 C CD1 . ILE A 14 ? 0.5418 0.5176 0.6047 -0.0102 -0.0685 -0.0016 706 ILE A CD1 \n50 N N . LEU A 15 ? 0.5526 0.5242 0.6247 0.0058 -0.0729 -0.0033 707 LEU A N \n51 C CA . LEU A 15 ? 0.5596 0.5267 0.6320 0.0107 -0.0757 -0.0041 707 LEU A CA \n52 C C . LEU A 15 ? 0.6465 0.5998 0.7022 0.0070 -0.0803 -0.0035 707 LEU A C \n53 O O . LEU A 15 ? 0.6247 0.5756 0.6699 0.0014 -0.0776 -0.0029 707 LEU A O \n54 C CB . LEU A 15 ? 0.5854 0.5608 0.6642 0.0147 -0.0686 -0.0052 707 LEU A CB \n55 C CG . LEU A 15 ? 0.6627 0.6521 0.7566 0.0179 -0.0624 -0.0057 707 LEU A CG \n56 C CD1 . LEU A 15 ? 0.5197 0.5132 0.6153 0.0213 -0.0563 -0.0067 707 LEU A CD1 \n57 C CD2 . LEU A 15 ? 0.5352 0.5290 0.6428 0.0224 -0.0658 -0.0057 707 LEU A CD2 \n58 N N . LYS A 16 ? 0.6234 0.5679 0.6771 0.0102 -0.0874 -0.0037 708 LYS A N \n59 C CA . LYS A 16 ? 0.7895 0.7197 0.8274 0.0076 -0.0924 -0.0033 708 LYS A CA \n60 C C . LYS A 16 ? 0.6539 0.5843 0.6901 0.0106 -0.0888 -0.0042 708 LYS A C \n61 O O . LYS A 16 ? 0.5800 0.5184 0.6277 0.0170 -0.0853 -0.0056 708 LYS A O \n62 C CB . LYS A 16 ? 0.8027 0.7226 0.8395 0.0105 -0.1023 -0.0032 708 LYS A CB \n63 C CG . LYS A 16 ? 0.9974 0.9118 1.0307 0.0063 -0.1081 -0.0019 708 LYS A CG \n64 C CD . LYS A 16 ? 1.1801 1.0964 1.2267 0.0122 -0.1142 -0.0024 708 LYS A CD \n65 C CE . LYS A 16 ? 1.2334 1.1425 1.2810 0.0184 -0.1201 -0.0034 708 LYS A CE \n66 N NZ . LYS A 16 ? 1.2740 1.1877 1.3377 0.0248 -0.1251 -0.0040 708 LYS A NZ \n67 N N . GLU A 17 ? 0.6711 0.5923 0.6924 0.0058 -0.0897 -0.0034 709 GLU A N \n68 C CA . GLU A 17 ? 0.6996 0.6184 0.7165 0.0077 -0.0874 -0.0040 709 GLU A CA \n69 C C . GLU A 17 ? 0.7493 0.6645 0.7710 0.0160 -0.0908 -0.0057 709 GLU A C \n70 O O . GLU A 17 ? 0.6931 0.6115 0.7176 0.0203 -0.0865 -0.0070 709 GLU A O \n71 C CB . GLU A 17 ? 0.7825 0.6893 0.7817 0.0007 -0.0904 -0.0025 709 GLU A CB \n72 C CG . GLU A 17 ? 0.9433 0.8557 0.9387 -0.0067 -0.0849 -0.0012 709 GLU A CG \n73 C CD . GLU A 17 ? 1.2260 1.1279 1.2053 -0.0138 -0.0871 0.0004 709 GLU A CD \n74 O OE1 . GLU A 17 ? 1.0992 1.0038 1.0763 -0.0157 -0.0830 0.0006 709 GLU A OE1 \n75 O OE2 . GLU A 17 ? 1.3467 1.2373 1.3152 -0.0178 -0.0933 0.0015 709 GLU A OE2 \n76 N N . THR A 18 ? 0.7519 0.6602 0.7742 0.0185 -0.0984 -0.0058 710 THR A N \n77 C CA . THR A 18 ? 0.7982 0.7034 0.8264 0.0270 -0.1020 -0.0076 710 THR A CA \n78 C C . THR A 18 ? 0.6977 0.6180 0.7450 0.0341 -0.0960 -0.0093 710 THR A C \n79 O O . THR A 18 ? 0.7409 0.6612 0.7941 0.0417 -0.0962 -0.0111 710 THR A O \n80 C CB . THR A 18 ? 0.8306 0.7247 0.8558 0.0278 -0.1125 -0.0073 710 THR A CB \n81 O OG1 . THR A 18 ? 0.8246 0.7251 0.8581 0.0258 -0.1136 -0.0064 710 THR A OG1 \n82 C CG2 . THR A 18 ? 0.8237 0.7009 0.8285 0.0213 -0.1189 -0.0057 710 THR A CG2 \n83 N N . GLU A 19 ? 0.6396 0.5723 0.6959 0.0315 -0.0905 -0.0086 711 GLU A N \n84 C CA . GLU A 19 ? 0.7106 0.6578 0.7851 0.0369 -0.0850 -0.0096 711 GLU A CA \n85 C C . GLU A 19 ? 0.7201 0.6751 0.7975 0.0392 -0.0760 -0.0107 711 GLU A C \n86 O O . GLU A 19 ? 0.6446 0.6101 0.7356 0.0446 -0.0711 -0.0118 711 GLU A O \n87 C CB . GLU A 19 ? 0.7716 0.7278 0.8537 0.0328 -0.0834 -0.0083 711 GLU A CB \n88 C CG . GLU A 19 ? 0.7783 0.7312 0.8645 0.0327 -0.0914 -0.0076 711 GLU A CG \n89 C CD . GLU A 19 ? 0.7319 0.6940 0.8256 0.0290 -0.0891 -0.0064 711 GLU A CD \n90 O OE1 . GLU A 19 ? 0.6710 0.6268 0.7549 0.0226 -0.0923 -0.0050 711 GLU A OE1 \n91 O OE2 . GLU A 19 ? 0.9164 0.8915 1.0251 0.0323 -0.0839 -0.0068 711 GLU A OE2 \n92 N N . PHE A 20 ? 0.6126 0.5625 0.6772 0.0347 -0.0737 -0.0101 712 PHE A N \n93 C CA . PHE A 20 ? 0.6800 0.6359 0.7455 0.0360 -0.0658 -0.0109 712 PHE A CA \n94 C C . PHE A 20 ? 0.5750 0.5195 0.6252 0.0345 -0.0670 -0.0110 712 PHE A C \n95 O O . PHE A 20 ? 0.6289 0.5627 0.6669 0.0299 -0.0728 -0.0098 712 PHE A O \n96 C CB . PHE A 20 ? 0.5773 0.5442 0.6475 0.0312 -0.0596 -0.0098 712 PHE A CB \n97 C CG . PHE A 20 ? 0.5363 0.4987 0.5954 0.0230 -0.0611 -0.0082 712 PHE A CG \n98 C CD1 . PHE A 20 ? 0.6429 0.6038 0.6934 0.0194 -0.0577 -0.0077 712 PHE A CD1 \n99 C CD2 . PHE A 20 ? 0.5799 0.5395 0.6368 0.0188 -0.0658 -0.0070 712 PHE A CD2 \n100 C CE1 . PHE A 20 ? 0.5615 0.5195 0.6029 0.0119 -0.0584 -0.0062 712 PHE A CE1 \n101 C CE2 . PHE A 20 ? 0.5369 0.4926 0.5832 0.0113 -0.0663 -0.0056 712 PHE A CE2 \n102 C CZ . PHE A 20 ? 0.5934 0.5490 0.6327 0.0079 -0.0623 -0.0052 712 PHE A CZ \n103 N N . LYS A 21 ? 0.5851 0.5316 0.6355 0.0380 -0.0617 -0.0122 713 LYS A N \n104 C CA . LYS A 21 ? 0.5833 0.5185 0.6194 0.0373 -0.0630 -0.0123 713 LYS A CA \n105 C C . LYS A 21 ? 0.6357 0.5763 0.6708 0.0357 -0.0559 -0.0123 713 LYS A C \n106 O O . LYS A 21 ? 0.5776 0.5274 0.6223 0.0399 -0.0498 -0.0134 713 LYS A O \n107 C CB . LYS A 21 ? 0.6447 0.5718 0.6792 0.0452 -0.0657 -0.0145 713 LYS A CB \n108 C CG . LYS A 21 ? 0.7942 0.7120 0.8262 0.0470 -0.0744 -0.0146 713 LYS A CG \n109 C CD . LYS A 21 ? 1.0478 0.9594 1.0806 0.0561 -0.0762 -0.0172 713 LYS A CD \n110 C CE . LYS A 21 ? 0.9047 0.8099 0.9397 0.0592 -0.0846 -0.0176 713 LYS A CE \n111 N NZ . LYS A 21 ? 0.9764 0.8743 1.0113 0.0684 -0.0869 -0.0203 713 LYS A NZ \n112 N N . LYS A 22 ? 0.5503 0.4849 0.5736 0.0295 -0.0571 -0.0108 714 LYS A N \n113 C CA . LYS A 22 ? 0.5983 0.5351 0.6184 0.0278 -0.0520 -0.0106 714 LYS A CA \n114 C C . LYS A 22 ? 0.6513 0.5786 0.6641 0.0333 -0.0525 -0.0122 714 LYS A C \n115 O O . LYS A 22 ? 0.6188 0.5331 0.6207 0.0335 -0.0585 -0.0123 714 LYS A O \n116 C CB . LYS A 22 ? 0.6461 0.5793 0.6566 0.0193 -0.0539 -0.0085 714 LYS A CB \n117 C CG . LYS A 22 ? 0.6952 0.6366 0.7107 0.0133 -0.0530 -0.0070 714 LYS A CG \n118 C CD . LYS A 22 ? 0.6996 0.6380 0.7060 0.0055 -0.0538 -0.0050 714 LYS A CD \n119 C CE . LYS A 22 ? 0.6853 0.6286 0.6933 -0.0006 -0.0539 -0.0036 714 LYS A CE \n120 N NZ . LYS A 22 ? 0.6756 0.6102 0.6776 -0.0020 -0.0602 -0.0031 714 LYS A NZ \n121 N N . ILE A 23 ? 0.5442 0.4768 0.5619 0.0378 -0.0463 -0.0136 715 ILE A N \n122 C CA . ILE A 23 ? 0.6316 0.5552 0.6425 0.0440 -0.0459 -0.0155 715 ILE A CA \n123 C C . ILE A 23 ? 0.6970 0.6143 0.6965 0.0408 -0.0447 -0.0149 715 ILE A C \n124 O O . ILE A 23 ? 0.6679 0.5716 0.6544 0.0413 -0.0490 -0.0151 715 ILE A O \n125 C CB . ILE A 23 ? 0.5406 0.4724 0.5633 0.0520 -0.0400 -0.0178 715 ILE A CB \n126 C CG1 . ILE A 23 ? 0.7073 0.6422 0.7398 0.0555 -0.0433 -0.0184 715 ILE A CG1 \n127 C CG2 . ILE A 23 ? 0.6282 0.5509 0.6430 0.0584 -0.0381 -0.0200 715 ILE A CG2 \n128 C CD1 . ILE A 23 ? 0.6901 0.6334 0.7357 0.0635 -0.0382 -0.0205 715 ILE A CD1 \n129 N N . LYS A 24 ? 0.5733 0.5001 0.5776 0.0374 -0.0396 -0.0139 716 LYS A N \n130 C CA . LYS A 24 ? 0.5657 0.4877 0.5607 0.0338 -0.0389 -0.0130 716 LYS A CA \n131 C C . LYS A 24 ? 0.6018 0.5341 0.6025 0.0269 -0.0368 -0.0110 716 LYS A C \n132 O O . LYS A 24 ? 0.4912 0.4354 0.5038 0.0266 -0.0335 -0.0109 716 LYS A O \n133 C CB . LYS A 24 ? 0.5531 0.4736 0.5466 0.0395 -0.0335 -0.0148 716 LYS A CB \n134 C CG . LYS A 24 ? 0.6711 0.5791 0.6557 0.0463 -0.0353 -0.0170 716 LYS A CG \n135 C CD . LYS A 24 ? 0.6245 0.5165 0.5919 0.0436 -0.0409 -0.0163 716 LYS A CD \n136 C CE . LYS A 24 ? 0.6951 0.5734 0.6535 0.0494 -0.0453 -0.0182 716 LYS A CE \n137 N NZ . LYS A 24 ? 0.7803 0.6553 0.7373 0.0579 -0.0403 -0.0212 716 LYS A NZ \n138 N N . VAL A 25 ? 0.5479 0.4754 0.5403 0.0214 -0.0388 -0.0094 717 VAL A N \n139 C CA . VAL A 25 ? 0.5797 0.5165 0.5772 0.0155 -0.0366 -0.0077 717 VAL A CA \n140 C C . VAL A 25 ? 0.5679 0.5116 0.5711 0.0181 -0.0305 -0.0085 717 VAL A C \n141 O O . VAL A 25 ? 0.5561 0.4932 0.5533 0.0220 -0.0291 -0.0096 717 VAL A O \n142 C CB . VAL A 25 ? 0.6752 0.6053 0.6631 0.0090 -0.0408 -0.0057 717 VAL A CB \n143 C CG1 . VAL A 25 ? 0.6255 0.5664 0.6205 0.0036 -0.0382 -0.0043 717 VAL A CG1 \n144 C CG2 . VAL A 25 ? 0.6742 0.5969 0.6553 0.0054 -0.0469 -0.0046 717 VAL A CG2 \n145 N N . LEU A 26 ? 0.4854 0.4416 0.4993 0.0160 -0.0270 -0.0080 718 LEU A N \n146 C CA . LEU A 26 ? 0.4266 0.3884 0.4445 0.0169 -0.0220 -0.0082 718 LEU A CA \n147 C C . LEU A 26 ? 0.4798 0.4421 0.4950 0.0109 -0.0235 -0.0065 718 LEU A C \n148 O O . LEU A 26 ? 0.4640 0.4199 0.4720 0.0109 -0.0239 -0.0064 718 LEU A O \n149 C CB . LEU A 26 ? 0.4616 0.4357 0.4927 0.0189 -0.0172 -0.0088 718 LEU A CB \n150 C CG . LEU A 26 ? 0.4637 0.4379 0.4987 0.0254 -0.0155 -0.0105 718 LEU A CG \n151 C CD1 . LEU A 26 ? 0.4676 0.4540 0.5162 0.0267 -0.0118 -0.0107 718 LEU A CD1 \n152 C CD2 . LEU A 26 ? 0.5541 0.5213 0.5826 0.0304 -0.0128 -0.0119 718 LEU A CD2 \n153 N N . GLY A 27 ? 0.4649 0.4345 0.4857 0.0059 -0.0244 -0.0053 719 GLY A N \n154 C CA . GLY A 27 ? 0.5634 0.5350 0.5834 0.0002 -0.0257 -0.0037 719 GLY A CA \n155 C C . GLY A 27 ? 0.7203 0.7009 0.7474 -0.0045 -0.0258 -0.0027 719 GLY A C \n156 O O . GLY A 27 ? 0.6658 0.6516 0.6986 -0.0035 -0.0244 -0.0033 719 GLY A O \n157 N N . SER A 28 ? 0.6398 0.6221 0.6664 -0.0098 -0.0273 -0.0013 720 SER A N \n158 C CA . SER A 28 ? 0.6494 0.6406 0.6824 -0.0146 -0.0266 -0.0004 720 SER A CA \n159 C C . SER A 28 ? 0.6178 0.6193 0.6603 -0.0150 -0.0230 -0.0007 720 SER A C \n160 O O . SER A 28 ? 0.6850 0.6859 0.7279 -0.0127 -0.0220 -0.0010 720 SER A O \n161 C CB . SER A 28 ? 0.8048 0.7918 0.8320 -0.0206 -0.0306 0.0014 720 SER A CB \n162 O OG . SER A 28 ? 0.8620 0.8410 0.8816 -0.0214 -0.0339 0.0017 720 SER A OG \n163 N N . GLY A 29 ? 0.7044 0.7145 0.7535 -0.0178 -0.0213 -0.0006 721 GLY A N \n164 C CA . GLY A 29 ? 0.6960 0.7159 0.7542 -0.0182 -0.0182 -0.0010 721 GLY A CA \n165 C C . GLY A 29 ? 0.7718 0.7984 0.8338 -0.0230 -0.0176 -0.0004 721 GLY A C \n166 O O . GLY A 29 ? 0.7501 0.7733 0.8072 -0.0262 -0.0195 0.0004 721 GLY A O \n167 N N . ALA A 30 ? 0.8690 0.9047 0.9395 -0.0233 -0.0149 -0.0009 722 ALA A N \n168 C CA . ALA A 30 ? 0.8869 0.9301 0.9621 -0.0272 -0.0131 -0.0008 722 ALA A CA \n169 C C . ALA A 30 ? 0.8699 0.9124 0.9424 -0.0280 -0.0122 -0.0012 722 ALA A C \n170 O O . ALA A 30 ? 0.7110 0.7539 0.7811 -0.0325 -0.0124 -0.0004 722 ALA A O \n171 C CB . ALA A 30 ? 0.9124 0.9648 0.9971 -0.0259 -0.0102 -0.0019 722 ALA A CB \n172 N N . PHE A 31 ? 0.6621 0.7032 0.7351 -0.0240 -0.0114 -0.0024 723 PHE A N \n173 C CA . PHE A 31 ? 0.5373 0.5777 0.6084 -0.0245 -0.0110 -0.0028 723 PHE A CA \n174 C C . PHE A 31 ? 0.5787 0.6097 0.6414 -0.0245 -0.0145 -0.0021 723 PHE A C \n175 O O . PHE A 31 ? 0.5892 0.6180 0.6487 -0.0261 -0.0152 -0.0021 723 PHE A O \n176 C CB . PHE A 31 ? 0.6469 0.6917 0.7240 -0.0208 -0.0086 -0.0043 723 PHE A CB \n177 C CG . PHE A 31 ? 0.6439 0.6971 0.7285 -0.0209 -0.0054 -0.0051 723 PHE A CG \n178 C CD1 . PHE A 31 ? 0.5928 0.6492 0.6831 -0.0171 -0.0040 -0.0060 723 PHE A CD1 \n179 C CD2 . PHE A 31 ? 0.5779 0.6359 0.6639 -0.0247 -0.0038 -0.0051 723 PHE A CD2 \n180 C CE1 . PHE A 31 ? 0.6524 0.7156 0.7491 -0.0169 -0.0017 -0.0069 723 PHE A CE1 \n181 C CE2 . PHE A 31 ? 0.4985 0.5643 0.5918 -0.0241 -0.0010 -0.0061 723 PHE A CE2 \n182 C CZ . PHE A 31 ? 0.5596 0.6275 0.6580 -0.0201 -0.0003 -0.0071 723 PHE A CZ \n183 N N . GLY A 32 ? 0.5278 0.5523 0.5863 -0.0227 -0.0170 -0.0017 724 GLY A N \n184 C CA . GLY A 32 ? 0.3769 0.3919 0.4274 -0.0221 -0.0207 -0.0012 724 GLY A CA \n185 C C . GLY A 32 ? 0.5134 0.5215 0.5601 -0.0181 -0.0225 -0.0014 724 GLY A C \n186 O O . GLY A 32 ? 0.5802 0.5901 0.6294 -0.0165 -0.0212 -0.0016 724 GLY A O \n187 N N . THR A 33 ? 0.4764 0.4762 0.5170 -0.0163 -0.0257 -0.0015 725 THR A N \n188 C CA . THR A 33 ? 0.4823 0.4736 0.5174 -0.0124 -0.0278 -0.0018 725 THR A CA \n189 C C . THR A 33 ? 0.4780 0.4682 0.5160 -0.0063 -0.0273 -0.0033 725 THR A C \n190 O O . THR A 33 ? 0.4210 0.4104 0.4595 -0.0061 -0.0289 -0.0034 725 THR A O \n191 C CB . THR A 33 ? 0.6312 0.6119 0.6553 -0.0156 -0.0328 -0.0006 725 THR A CB \n192 O OG1 . THR A 33 ? 0.5929 0.5754 0.6155 -0.0214 -0.0332 0.0009 725 THR A OG1 \n193 C CG2 . THR A 33 ? 0.5708 0.5414 0.5880 -0.0112 -0.0352 -0.0012 725 THR A CG2 \n194 N N . VAL A 34 ? 0.4022 0.3916 0.4414 -0.0015 -0.0253 -0.0042 726 VAL A N \n195 C CA . VAL A 34 ? 0.4419 0.4323 0.4860 0.0044 -0.0238 -0.0057 726 VAL A CA \n196 C C . VAL A 34 ? 0.4252 0.4055 0.4621 0.0088 -0.0260 -0.0065 726 VAL A C \n197 O O . VAL A 34 ? 0.4311 0.4047 0.4604 0.0087 -0.0268 -0.0063 726 VAL A O \n198 C CB . VAL A 34 ? 0.4085 0.4075 0.4612 0.0070 -0.0185 -0.0063 726 VAL A CB \n199 C CG1 . VAL A 34 ? 0.4253 0.4273 0.4848 0.0124 -0.0167 -0.0075 726 VAL A CG1 \n200 C CG2 . VAL A 34 ? 0.4510 0.4591 0.5102 0.0031 -0.0167 -0.0058 726 VAL A CG2 \n201 N N . TYR A 35 ? 0.4224 0.4013 0.4619 0.0127 -0.0273 -0.0074 727 TYR A N \n202 C CA . TYR A 35 ? 0.4083 0.3779 0.4422 0.0178 -0.0295 -0.0085 727 TYR A CA \n203 C C . TYR A 35 ? 0.4640 0.4392 0.5073 0.0243 -0.0258 -0.0101 727 TYR A C \n204 O O . TYR A 35 ? 0.4261 0.4106 0.4799 0.0244 -0.0240 -0.0100 727 TYR A O \n205 C CB . TYR A 35 ? 0.4395 0.4011 0.4676 0.0166 -0.0357 -0.0082 727 TYR A CB \n206 C CG . TYR A 35 ? 0.5156 0.4718 0.5346 0.0096 -0.0396 -0.0064 727 TYR A CG \n207 C CD1 . TYR A 35 ? 0.5819 0.5260 0.5887 0.0087 -0.0437 -0.0060 727 TYR A CD1 \n208 C CD2 . TYR A 35 ? 0.6136 0.5765 0.6360 0.0038 -0.0390 -0.0051 727 TYR A CD2 \n209 C CE1 . TYR A 35 ? 0.5355 0.4751 0.5344 0.0016 -0.0471 -0.0040 727 TYR A CE1 \n210 C CE2 . TYR A 35 ? 0.5874 0.5464 0.6021 -0.0027 -0.0417 -0.0034 727 TYR A CE2 \n211 C CZ . TYR A 35 ? 0.6596 0.6072 0.6630 -0.0041 -0.0458 -0.0027 727 TYR A CZ \n212 O OH . TYR A 35 ? 0.5373 0.4816 0.5337 -0.0112 -0.0485 -0.0007 727 TYR A OH \n213 N N . LYS A 36 ? 0.3901 0.3594 0.4296 0.0297 -0.0248 -0.0115 728 LYS A N \n214 C CA . LYS A 36 ? 0.4303 0.4034 0.4782 0.0365 -0.0220 -0.0132 728 LYS A CA \n215 C C . LYS A 36 ? 0.4869 0.4551 0.5348 0.0384 -0.0277 -0.0136 728 LYS A C \n216 O O . LYS A 36 ? 0.5013 0.4585 0.5382 0.0369 -0.0330 -0.0133 728 LYS A O \n217 C CB . LYS A 36 ? 0.5029 0.4705 0.5455 0.0419 -0.0186 -0.0148 728 LYS A CB \n218 C CG . LYS A 36 ? 0.6256 0.5983 0.6778 0.0491 -0.0145 -0.0167 728 LYS A CG \n219 C CD . LYS A 36 ? 0.5212 0.4864 0.5657 0.0546 -0.0112 -0.0185 728 LYS A CD \n220 C CE . LYS A 36 ? 0.6339 0.5857 0.6682 0.0579 -0.0166 -0.0198 728 LYS A CE \n221 N NZ . LYS A 36 ? 0.6462 0.5889 0.6706 0.0629 -0.0134 -0.0216 728 LYS A NZ \n222 N N . GLY A 37 ? 0.4750 0.4507 0.5347 0.0415 -0.0271 -0.0141 729 GLY A N \n223 C CA . GLY A 37 ? 0.4963 0.4672 0.5566 0.0434 -0.0331 -0.0144 729 GLY A CA \n224 C C . GLY A 37 ? 0.4489 0.4271 0.5229 0.0495 -0.0317 -0.0156 729 GLY A C \n225 O O . GLY A 37 ? 0.3944 0.3817 0.4776 0.0524 -0.0254 -0.0163 729 GLY A O \n226 N N . LEU A 38 ? 0.5185 0.4925 0.5939 0.0512 -0.0379 -0.0158 730 LEU A N \n227 C CA . LEU A 38 ? 0.4975 0.4788 0.5874 0.0564 -0.0380 -0.0167 730 LEU A CA \n228 C C . LEU A 38 ? 0.4499 0.4324 0.5437 0.0525 -0.0441 -0.0152 730 LEU A C \n229 O O . LEU A 38 ? 0.5295 0.5021 0.6126 0.0486 -0.0504 -0.0143 730 LEU A O \n230 C CB . LEU A 38 ? 0.6831 0.6574 0.7722 0.0642 -0.0403 -0.0189 730 LEU A CB \n231 C CG . LEU A 38 ? 0.6703 0.6452 0.7594 0.0704 -0.0335 -0.0210 730 LEU A CG \n232 C CD1 . LEU A 38 ? 0.6819 0.6476 0.7684 0.0779 -0.0372 -0.0233 730 LEU A CD1 \n233 C CD2 . LEU A 38 ? 0.7618 0.7519 0.8667 0.0729 -0.0256 -0.0212 730 LEU A CD2 \n234 N N . TRP A 39 ? 0.5003 0.4945 0.6088 0.0531 -0.0421 -0.0147 731 TRP A N \n235 C CA . TRP A 39 ? 0.4490 0.4439 0.5620 0.0503 -0.0481 -0.0135 731 TRP A CA \n236 C C . TRP A 39 ? 0.5233 0.5204 0.6484 0.0570 -0.0516 -0.0145 731 TRP A C \n237 O O . TRP A 39 ? 0.4699 0.4773 0.6087 0.0618 -0.0466 -0.0154 731 TRP A O \n238 C CB . TRP A 39 ? 0.5252 0.5302 0.6450 0.0454 -0.0449 -0.0119 731 TRP A CB \n239 C CG . TRP A 39 ? 0.5772 0.5833 0.7026 0.0430 -0.0508 -0.0107 731 TRP A CG \n240 C CD1 . TRP A 39 ? 0.6799 0.6758 0.7979 0.0410 -0.0591 -0.0102 731 TRP A CD1 \n241 C CD2 . TRP A 39 ? 0.6790 0.6959 0.8175 0.0419 -0.0494 -0.0097 731 TRP A CD2 \n242 N NE1 . TRP A 39 ? 0.7321 0.7315 0.8574 0.0390 -0.0629 -0.0090 731 TRP A NE1 \n243 C CE2 . TRP A 39 ? 0.6477 0.6600 0.7859 0.0395 -0.0572 -0.0087 731 TRP A CE2 \n244 C CE3 . TRP A 39 ? 0.5756 0.6048 0.7253 0.0425 -0.0426 -0.0095 731 TRP A CE3 \n245 C CZ2 . TRP A 39 ? 0.7745 0.7940 0.9232 0.0378 -0.0586 -0.0075 731 TRP A CZ2 \n246 C CZ3 . TRP A 39 ? 0.6856 0.7224 0.8462 0.0407 -0.0439 -0.0082 731 TRP A CZ3 \n247 C CH2 . TRP A 39 ? 0.7032 0.7351 0.8634 0.0385 -0.0519 -0.0073 731 TRP A CH2 \n248 N N . ILE A 40 ? 0.5550 0.5420 0.6747 0.0570 -0.0602 -0.0144 732 ILE A N \n249 C CA . ILE A 40 ? 0.6524 0.6397 0.7827 0.0628 -0.0656 -0.0152 732 ILE A CA \n250 C C . ILE A 40 ? 0.6218 0.6096 0.7559 0.0582 -0.0721 -0.0133 732 ILE A C \n251 O O . ILE A 40 ? 0.7091 0.6851 0.8313 0.0545 -0.0795 -0.0125 732 ILE A O \n252 C CB . ILE A 40 ? 0.6609 0.6339 0.7807 0.0668 -0.0715 -0.0167 732 ILE A CB \n253 C CG1 . ILE A 40 ? 0.6670 0.6368 0.7788 0.0699 -0.0655 -0.0183 732 ILE A CG1 \n254 C CG2 . ILE A 40 ? 0.8103 0.7845 0.9428 0.0741 -0.0766 -0.0179 732 ILE A CG2 \n255 C CD1 . ILE A 40 ? 0.7342 0.6869 0.8274 0.0689 -0.0711 -0.0187 732 ILE A CD1 \n256 N N . PRO A 41 ? 0.6345 0.6352 0.7837 0.0579 -0.0693 -0.0125 733 PRO A N \n257 C CA . PRO A 41 ? 0.6905 0.6909 0.8432 0.0539 -0.0760 -0.0107 733 PRO A CA \n258 C C . PRO A 41 ? 0.7821 0.7723 0.9336 0.0569 -0.0862 -0.0110 733 PRO A C \n259 O O . PRO A 41 ? 0.5827 0.5737 0.7418 0.0643 -0.0870 -0.0127 733 PRO A O \n260 C CB . PRO A 41 ? 0.7509 0.7670 0.9231 0.0557 -0.0718 -0.0102 733 PRO A CB \n261 C CG . PRO A 41 ? 0.7176 0.7419 0.8915 0.0570 -0.0612 -0.0110 733 PRO A CG \n262 C CD . PRO A 41 ? 0.7353 0.7505 0.8981 0.0607 -0.0602 -0.0129 733 PRO A CD \n263 N N . GLU A 42 ? 0.8490 0.8293 0.9904 0.0513 -0.0939 -0.0095 734 GLU A N \n264 C CA . GLU A 42 ? 1.1664 1.1326 1.3001 0.0526 -0.1043 -0.0097 734 GLU A CA \n265 C C . GLU A 42 ? 1.1970 1.1660 1.3464 0.0603 -0.1098 -0.0106 734 GLU A C \n266 O O . GLU A 42 ? 1.1585 1.1211 1.3061 0.0661 -0.1124 -0.0124 734 GLU A O \n267 C CB . GLU A 42 ? 1.3563 1.3120 1.4768 0.0446 -0.1111 -0.0076 734 GLU A CB \n268 C CG . GLU A 42 ? 1.5131 1.4771 1.6415 0.0403 -0.1102 -0.0060 734 GLU A CG \n269 C CD . GLU A 42 ? 1.7189 1.6734 1.8304 0.0316 -0.1126 -0.0044 734 GLU A CD \n270 O OE1 . GLU A 42 ? 1.6803 1.6203 1.7788 0.0290 -0.1208 -0.0037 734 GLU A OE1 \n271 O OE2 . GLU A 42 ? 1.6609 1.6224 1.7719 0.0273 -0.1061 -0.0038 734 GLU A OE2 \n272 N N . GLY A 43 ? 0.9273 0.9058 1.0924 0.0604 -0.1116 -0.0096 735 GLY A N \n273 C CA . GLY A 43 ? 1.2413 1.2231 1.4229 0.0671 -0.1178 -0.0102 735 GLY A CA \n274 C C . GLY A 43 ? 1.1310 1.1278 1.3312 0.0750 -0.1099 -0.0120 735 GLY A C \n275 O O . GLY A 43 ? 1.0334 1.0323 1.2459 0.0823 -0.1135 -0.0134 735 GLY A O \n276 N N . GLU A 44 ? 1.0028 1.0097 1.2045 0.0734 -0.0990 -0.0121 736 GLU A N \n277 C CA . GLU A 44 ? 0.9093 0.9317 1.1285 0.0795 -0.0901 -0.0134 736 GLU A CA \n278 C C . GLU A 44 ? 0.9792 0.9973 1.1934 0.0864 -0.0861 -0.0162 736 GLU A C \n279 O O . GLU A 44 ? 0.9644 0.9675 1.1617 0.0861 -0.0908 -0.0170 736 GLU A O \n280 C CB . GLU A 44 ? 0.9439 0.9772 1.1652 0.0745 -0.0808 -0.0121 736 GLU A CB \n281 C CG . GLU A 44 ? 0.8991 0.9310 1.1169 0.0664 -0.0852 -0.0095 736 GLU A CG \n282 C CD . GLU A 44 ? 1.0263 1.0690 1.2476 0.0620 -0.0768 -0.0083 736 GLU A CD \n283 O OE1 . GLU A 44 ? 0.9260 0.9636 1.1353 0.0550 -0.0774 -0.0070 736 GLU A OE1 \n284 O OE2 . GLU A 44 ? 1.1291 1.1851 1.3650 0.0654 -0.0695 -0.0087 736 GLU A OE2 \n285 N N . LYS A 45 ? 0.8575 0.8882 1.0857 0.0924 -0.0776 -0.0177 737 LYS A N \n286 C CA . LYS A 45 ? 1.0232 1.0497 1.2471 0.0998 -0.0737 -0.0207 737 LYS A CA \n287 C C . LYS A 45 ? 1.1394 1.1733 1.3618 0.1003 -0.0610 -0.0216 737 LYS A C \n288 O O . LYS A 45 ? 1.2995 1.3415 1.5326 0.1074 -0.0543 -0.0236 737 LYS A O \n289 C CB . LYS A 45 ? 1.2102 1.2412 1.4514 0.1091 -0.0770 -0.0226 737 LYS A CB \n290 C CG . LYS A 45 ? 1.3034 1.3224 1.5417 0.1099 -0.0906 -0.0223 737 LYS A CG \n291 C CD . LYS A 45 ? 1.4089 1.4304 1.6623 0.1205 -0.0938 -0.0249 737 LYS A CD \n292 C CE . LYS A 45 ? 1.4770 1.4851 1.7159 0.1267 -0.0934 -0.0280 737 LYS A CE \n293 N NZ . LYS A 45 ? 1.4929 1.5040 1.7476 0.1378 -0.0964 -0.0308 737 LYS A NZ \n294 N N . VAL A 46 ? 0.9539 0.9849 1.1628 0.0928 -0.0578 -0.0201 738 VAL A N \n295 C CA . VAL A 46 ? 0.8091 0.8451 1.0140 0.0922 -0.0468 -0.0207 738 VAL A CA \n296 C C . VAL A 46 ? 0.7822 0.8057 0.9646 0.0868 -0.0466 -0.0204 738 VAL A C \n297 O O . VAL A 46 ? 0.5589 0.5726 0.7300 0.0814 -0.0537 -0.0191 738 VAL A O \n298 C CB . VAL A 46 ? 0.8603 0.9119 1.0784 0.0884 -0.0403 -0.0188 738 VAL A CB \n299 C CG1 . VAL A 46 ? 0.9984 1.0644 1.2397 0.0942 -0.0378 -0.0193 738 VAL A CG1 \n300 C CG2 . VAL A 46 ? 0.7309 0.7814 0.9458 0.0800 -0.0457 -0.0161 738 VAL A CG2 \n301 N N . LYS A 47 ? 0.6855 0.7094 0.8618 0.0882 -0.0382 -0.0216 739 LYS A N \n302 C CA . LYS A 47 ? 0.7141 0.7284 0.8714 0.0831 -0.0369 -0.0211 739 LYS A CA \n303 C C . LYS A 47 ? 0.5750 0.5997 0.7355 0.0789 -0.0285 -0.0199 739 LYS A C \n304 O O . LYS A 47 ? 0.5541 0.5880 0.7239 0.0827 -0.0208 -0.0208 739 LYS A O \n305 C CB . LYS A 47 ? 0.6464 0.6502 0.7920 0.0884 -0.0352 -0.0236 739 LYS A CB \n306 C CG . LYS A 47 ? 0.8120 0.8031 0.9515 0.0926 -0.0439 -0.0249 739 LYS A CG \n307 C CD . LYS A 47 ? 0.8257 0.8089 0.9573 0.0996 -0.0407 -0.0278 739 LYS A CD \n308 C CE . LYS A 47 ? 0.8535 0.8206 0.9739 0.1026 -0.0498 -0.0290 739 LYS A CE \n309 N NZ . LYS A 47 ? 0.7836 0.7417 0.8942 0.1091 -0.0464 -0.0319 739 LYS A NZ \n310 N N . ILE A 48 ? 0.6242 0.6472 0.7771 0.0711 -0.0299 -0.0179 740 ILE A N \n311 C CA . ILE A 48 ? 0.4873 0.5194 0.6429 0.0670 -0.0229 -0.0167 740 ILE A CA \n312 C C . ILE A 48 ? 0.4382 0.4622 0.5770 0.0627 -0.0210 -0.0165 740 ILE A C \n313 O O . ILE A 48 ? 0.4231 0.4389 0.5512 0.0581 -0.0264 -0.0156 740 ILE A O \n314 C CB . ILE A 48 ? 0.5364 0.5760 0.7005 0.0616 -0.0255 -0.0145 740 ILE A CB \n315 C CG1 . ILE A 48 ? 0.4896 0.5371 0.6711 0.0655 -0.0282 -0.0144 740 ILE A CG1 \n316 C CG2 . ILE A 48 ? 0.4709 0.5188 0.6372 0.0575 -0.0187 -0.0134 740 ILE A CG2 \n317 C CD1 . ILE A 48 ? 0.5101 0.5589 0.6957 0.0605 -0.0348 -0.0124 740 ILE A CD1 \n318 N N . PRO A 49 ? 0.4620 0.4882 0.5985 0.0642 -0.0135 -0.0173 741 PRO A N \n319 C CA . PRO A 49 ? 0.4508 0.4699 0.5724 0.0601 -0.0119 -0.0169 741 PRO A CA \n320 C C . PRO A 49 ? 0.4429 0.4656 0.5636 0.0525 -0.0129 -0.0148 741 PRO A C \n321 O O . PRO A 49 ? 0.4329 0.4659 0.5639 0.0508 -0.0097 -0.0138 741 PRO A O \n322 C CB . PRO A 49 ? 0.4452 0.4677 0.5675 0.0633 -0.0035 -0.0179 741 PRO A CB \n323 C CG . PRO A 49 ? 0.4767 0.5061 0.6123 0.0703 -0.0007 -0.0193 741 PRO A CG \n324 C CD . PRO A 49 ? 0.4725 0.5084 0.6204 0.0690 -0.0059 -0.0182 741 PRO A CD \n325 N N . VAL A 50 ? 0.4513 0.4652 0.5597 0.0480 -0.0172 -0.0141 742 VAL A N \n326 C CA . VAL A 50 ? 0.4420 0.4583 0.5484 0.0411 -0.0184 -0.0124 742 VAL A CA \n327 C C . VAL A 50 ? 0.4083 0.4179 0.5016 0.0373 -0.0178 -0.0121 742 VAL A C \n328 O O . VAL A 50 ? 0.4027 0.4032 0.4862 0.0391 -0.0190 -0.0129 742 VAL A O \n329 C CB . VAL A 50 ? 0.4323 0.4458 0.5388 0.0383 -0.0254 -0.0116 742 VAL A CB \n330 C CG1 . VAL A 50 ? 0.4662 0.4876 0.5870 0.0410 -0.0263 -0.0115 742 VAL A CG1 \n331 C CG2 . VAL A 50 ? 0.4472 0.4481 0.5425 0.0390 -0.0314 -0.0120 742 VAL A CG2 \n332 N N . ALA A 51 ? 0.3559 0.3703 0.4495 0.0322 -0.0161 -0.0109 743 ALA A N \n333 C CA . ALA A 51 ? 0.3627 0.3718 0.4456 0.0275 -0.0169 -0.0102 743 ALA A CA \n334 C C . ALA A 51 ? 0.3415 0.3486 0.4217 0.0227 -0.0219 -0.0092 743 ALA A C \n335 O O . ALA A 51 ? 0.3424 0.3548 0.4298 0.0218 -0.0229 -0.0088 743 ALA A O \n336 C CB . ALA A 51 ? 0.3176 0.3334 0.4030 0.0252 -0.0120 -0.0098 743 ALA A CB \n337 N N . ILE A 52 ? 0.3550 0.3537 0.4241 0.0195 -0.0252 -0.0087 744 ILE A N \n338 C CA . ILE A 52 ? 0.3208 0.3162 0.3852 0.0146 -0.0296 -0.0077 744 ILE A CA \n339 C C . ILE A 52 ? 0.3993 0.3946 0.4576 0.0089 -0.0285 -0.0067 744 ILE A C \n340 O O . ILE A 52 ? 0.3874 0.3772 0.4385 0.0086 -0.0287 -0.0066 744 ILE A O \n341 C CB . ILE A 52 ? 0.3975 0.3817 0.4537 0.0157 -0.0355 -0.0078 744 ILE A CB \n342 C CG1 . ILE A 52 ? 0.4130 0.3977 0.4766 0.0219 -0.0369 -0.0089 744 ILE A CG1 \n343 C CG2 . ILE A 52 ? 0.4103 0.3898 0.4598 0.0098 -0.0399 -0.0065 744 ILE A CG2 \n344 C CD1 . ILE A 52 ? 0.5386 0.5119 0.5948 0.0249 -0.0422 -0.0096 744 ILE A CD1 \n345 N N . LYS A 53 ? 0.3721 0.3735 0.4336 0.0048 -0.0272 -0.0060 745 LYS A N \n346 C CA . LYS A 53 ? 0.3851 0.3878 0.4425 -0.0005 -0.0259 -0.0052 745 LYS A CA \n347 C C . LYS A 53 ? 0.4788 0.4769 0.5293 -0.0056 -0.0295 -0.0042 745 LYS A C \n348 O O . LYS A 53 ? 0.4724 0.4724 0.5253 -0.0068 -0.0302 -0.0042 745 LYS A O \n349 C CB . LYS A 53 ? 0.3374 0.3504 0.4031 -0.0012 -0.0212 -0.0054 745 LYS A CB \n350 C CG . LYS A 53 ? 0.3772 0.3928 0.4406 -0.0058 -0.0196 -0.0047 745 LYS A CG \n351 C CD . LYS A 53 ? 0.3706 0.3945 0.4416 -0.0046 -0.0153 -0.0052 745 LYS A CD \n352 C CE . LYS A 53 ? 0.4141 0.4407 0.4840 -0.0085 -0.0141 -0.0047 745 LYS A CE \n353 N NZ . LYS A 53 ? 0.4602 0.4932 0.5365 -0.0069 -0.0107 -0.0052 745 LYS A NZ \n354 N N . GLU A 54 ? 0.4315 0.4227 0.4729 -0.0089 -0.0318 -0.0033 746 GLU A N \n355 C CA . GLU A 54 ? 0.4188 0.4055 0.4525 -0.0149 -0.0345 -0.0020 746 GLU A CA \n356 C C . GLU A 54 ? 0.5190 0.5125 0.5540 -0.0199 -0.0310 -0.0014 746 GLU A C \n357 O O . GLU A 54 ? 0.5046 0.4993 0.5396 -0.0204 -0.0298 -0.0010 746 GLU A O \n358 C CB . GLU A 54 ? 0.4863 0.4613 0.5092 -0.0159 -0.0395 -0.0012 746 GLU A CB \n359 C CG . GLU A 54 ? 0.5544 0.5226 0.5684 -0.0215 -0.0433 0.0000 746 GLU A CG \n360 C CD . GLU A 54 ? 0.7303 0.6852 0.7338 -0.0210 -0.0494 0.0005 746 GLU A CD \n361 O OE1 . GLU A 54 ? 0.7859 0.7363 0.7852 -0.0204 -0.0505 0.0007 746 GLU A OE1 \n362 O OE2 . GLU A 54 ? 0.7327 0.6809 0.7318 -0.0211 -0.0537 0.0006 746 GLU A OE2 \n363 N N . LEU A 55 ? 0.5468 0.5442 0.5829 -0.0234 -0.0295 -0.0012 747 LEU A N \n364 C CA . LEU A 55 ? 0.6078 0.6135 0.6476 -0.0269 -0.0253 -0.0010 747 LEU A CA \n365 C C . LEU A 55 ? 0.7493 0.7523 0.7821 -0.0331 -0.0262 0.0004 747 LEU A C \n366 O O . LEU A 55 ? 0.6291 0.6230 0.6528 -0.0357 -0.0302 0.0015 747 LEU A O \n367 C CB . LEU A 55 ? 0.5203 0.5318 0.5645 -0.0275 -0.0226 -0.0018 747 LEU A CB \n368 C CG . LEU A 55 ? 0.5849 0.5998 0.6365 -0.0224 -0.0220 -0.0031 747 LEU A CG \n369 C CD1 . LEU A 55 ? 0.6954 0.7155 0.7500 -0.0239 -0.0193 -0.0038 747 LEU A CD1 \n370 C CD2 . LEU A 55 ? 0.5867 0.6064 0.6457 -0.0178 -0.0198 -0.0037 747 LEU A CD2 \n371 N N . ARG A 56 ? 0.8219 0.8329 0.8596 -0.0355 -0.0226 0.0006 748 ARG A N \n372 C CA . ARG A 56 ? 1.1080 1.1195 1.1418 -0.0420 -0.0223 0.0021 748 ARG A CA \n373 C C . ARG A 56 ? 1.0388 1.0509 1.0694 -0.0460 -0.0206 0.0021 748 ARG A C \n374 O O . ARG A 56 ? 0.7229 0.7402 0.7583 -0.0440 -0.0176 0.0007 748 ARG A O \n375 C CB . ARG A 56 ? 1.1845 1.2057 1.2267 -0.0428 -0.0188 0.0020 748 ARG A CB \n376 C CG . ARG A 56 ? 1.3936 1.4149 1.4396 -0.0384 -0.0196 0.0017 748 ARG A CG \n377 C CD . ARG A 56 ? 1.4596 1.4761 1.5009 -0.0413 -0.0228 0.0034 748 ARG A CD \n378 N NE . ARG A 56 ? 1.5199 1.5339 1.5623 -0.0368 -0.0241 0.0030 748 ARG A NE \n379 C CZ . ARG A 56 ? 1.5598 1.5723 1.6013 -0.0384 -0.0260 0.0041 748 ARG A CZ \n380 N NH1 . ARG A 56 ? 1.4878 1.4968 1.5289 -0.0341 -0.0269 0.0035 748 ARG A NH1 \n381 N NH2 . ARG A 56 ? 1.5250 1.5393 1.5659 -0.0444 -0.0269 0.0059 748 ARG A NH2 \n382 N N . GLU A 57 ? 1.2379 1.2438 1.2593 -0.0517 -0.0227 0.0038 749 GLU A N \n383 C CA . GLU A 57 ? 1.3739 1.3784 1.3896 -0.0563 -0.0212 0.0041 749 GLU A CA \n384 C C . GLU A 57 ? 1.4962 1.5115 1.5174 -0.0600 -0.0151 0.0039 749 GLU A C \n385 O O . GLU A 57 ? 1.6001 1.6236 1.6296 -0.0596 -0.0129 0.0039 749 GLU A O \n386 C CB . GLU A 57 ? 1.3684 1.3614 1.3712 -0.0615 -0.0258 0.0061 749 GLU A CB \n387 C CG . GLU A 57 ? 1.5587 1.5401 1.5553 -0.0577 -0.0322 0.0061 749 GLU A CG \n388 C CD . GLU A 57 ? 1.6847 1.6535 1.6677 -0.0629 -0.0374 0.0082 749 GLU A CD \n389 O OE1 . GLU A 57 ? 1.6527 1.6217 1.6305 -0.0700 -0.0358 0.0098 749 GLU A OE1 \n390 O OE2 . GLU A 57 ? 1.8156 1.7743 1.7932 -0.0598 -0.0431 0.0082 749 GLU A OE2 \n391 N N . ALA A 58 ? 1.4459 1.4609 1.4624 -0.0635 -0.0126 0.0037 750 ALA A N \n392 C CA . ALA A 58 ? 1.4919 1.5165 1.5125 -0.0672 -0.0063 0.0033 750 ALA A CA \n393 C C . ALA A 58 ? 1.5944 1.6135 1.6037 -0.0748 -0.0056 0.0049 750 ALA A C \n394 O O . ALA A 58 ? 1.7984 1.8057 1.7963 -0.0764 -0.0100 0.0058 750 ALA A O \n395 C CB . ALA A 58 ? 1.3958 1.4268 1.4228 -0.0632 -0.0021 0.0008 750 ALA A CB \n396 N N . THR A 59 ? 1.5547 1.5824 1.5674 -0.0794 -0.0001 0.0053 751 THR A N \n397 C CA . THR A 59 ? 1.5666 1.5906 1.5692 -0.0871 0.0018 0.0068 751 THR A CA \n398 C C . THR A 59 ? 1.5758 1.5949 1.5705 -0.0869 0.0040 0.0053 751 THR A C \n399 O O . THR A 59 ? 1.4822 1.4902 1.4632 -0.0914 0.0017 0.0065 751 THR A O \n400 C CB . THR A 59 ? 1.4814 1.5178 1.4915 -0.0918 0.0081 0.0075 751 THR A CB \n401 O OG1 . THR A 59 ? 1.2875 1.3301 1.3077 -0.0907 0.0061 0.0084 751 THR A OG1 \n402 C CG2 . THR A 59 ? 1.2617 1.2932 1.2605 -0.1009 0.0093 0.0099 751 THR A CG2 \n403 N N . SER A 60 ? 1.5251 1.5517 1.5280 -0.0818 0.0080 0.0026 752 SER A N \n404 C CA . SER A 60 ? 1.7078 1.7293 1.7041 -0.0805 0.0093 0.0009 752 SER A CA \n405 C C . SER A 60 ? 1.6285 1.6482 1.6299 -0.0729 0.0055 -0.0006 752 SER A C \n406 O O . SER A 60 ? 1.5703 1.5985 1.5817 -0.0682 0.0087 -0.0027 752 SER A O \n407 C CB . SER A 60 ? 1.6547 1.6855 1.6546 -0.0816 0.0178 -0.0009 752 SER A CB \n408 O OG . SER A 60 ? 1.5039 1.5285 1.4960 -0.0802 0.0188 -0.0027 752 SER A OG \n409 N N . PRO A 61 ? 1.5006 1.5094 1.4955 -0.0716 -0.0015 0.0003 753 PRO A N \n410 C CA . PRO A 61 ? 1.3478 1.3554 1.3483 -0.0648 -0.0052 -0.0008 753 PRO A CA \n411 C C . PRO A 61 ? 1.2333 1.2375 1.2304 -0.0631 -0.0046 -0.0024 753 PRO A C \n412 O O . PRO A 61 ? 1.1256 1.1245 1.1123 -0.0674 -0.0028 -0.0024 753 PRO A O \n413 C CB . PRO A 61 ? 1.3646 1.3613 1.3586 -0.0646 -0.0127 0.0008 753 PRO A CB \n414 C CG . PRO A 61 ? 1.3697 1.3608 1.3534 -0.0718 -0.0134 0.0030 753 PRO A CG \n415 C CD . PRO A 61 ? 1.3088 1.3053 1.2904 -0.0766 -0.0064 0.0026 753 PRO A CD \n416 N N . LYS A 62 ? 1.1578 1.1646 1.1629 -0.0570 -0.0062 -0.0037 754 LYS A N \n417 C CA . LYS A 62 ? 0.9913 0.9940 0.9936 -0.0551 -0.0070 -0.0051 754 LYS A CA \n418 C C . LYS A 62 ? 0.9257 0.9148 0.9173 -0.0563 -0.0140 -0.0038 754 LYS A C \n419 O O . LYS A 62 ? 0.9143 0.8987 0.9044 -0.0563 -0.0188 -0.0023 754 LYS A O \n420 C CB . LYS A 62 ? 0.8340 0.8438 0.8488 -0.0487 -0.0069 -0.0065 754 LYS A CB \n421 C CG . LYS A 62 ? 0.8269 0.8487 0.8513 -0.0471 -0.0005 -0.0079 754 LYS A CG \n422 C CD . LYS A 62 ? 0.8297 0.8571 0.8652 -0.0412 -0.0010 -0.0091 754 LYS A CD \n423 C CE . LYS A 62 ? 0.8751 0.9132 0.9194 -0.0396 0.0045 -0.0106 754 LYS A CE \n424 N NZ . LYS A 62 ? 0.8804 0.9229 0.9343 -0.0343 0.0038 -0.0116 754 LYS A NZ \n425 N N . ALA A 63 ? 0.8671 0.8494 0.8510 -0.0573 -0.0150 -0.0045 755 ALA A N \n426 C CA . ALA A 63 ? 0.8306 0.7997 0.8051 -0.0580 -0.0224 -0.0034 755 ALA A CA \n427 C C . ALA A 63 ? 0.7631 0.7333 0.7477 -0.0520 -0.0279 -0.0033 755 ALA A C \n428 O O . ALA A 63 ? 0.6261 0.6060 0.6231 -0.0475 -0.0255 -0.0044 755 ALA A O \n429 C CB . ALA A 63 ? 0.8198 0.7814 0.7843 -0.0600 -0.0223 -0.0043 755 ALA A CB \n430 N N . ASN A 64 ? 0.7207 0.6810 0.7001 -0.0520 -0.0351 -0.0020 756 ASN A N \n431 C CA . ASN A 64 ? 0.7466 0.7080 0.7358 -0.0462 -0.0402 -0.0020 756 ASN A CA \n432 C C . ASN A 64 ? 0.6435 0.6089 0.6407 -0.0426 -0.0403 -0.0031 756 ASN A C \n433 O O . ASN A 64 ? 0.6698 0.6435 0.6800 -0.0376 -0.0398 -0.0036 756 ASN A O \n434 C CB . ASN A 64 ? 0.7970 0.7460 0.7785 -0.0468 -0.0485 -0.0006 756 ASN A CB \n435 C CG . ASN A 64 ? 0.8562 0.8025 0.8338 -0.0484 -0.0495 0.0004 756 ASN A CG \n436 O OD1 . ASN A 64 ? 0.8723 0.8078 0.8422 -0.0494 -0.0560 0.0016 756 ASN A OD1 \n437 N ND2 . ASN A 64 ? 0.8060 0.7616 0.7890 -0.0486 -0.0436 0.0002 756 ASN A ND2 \n438 N N . LYS A 65 ? 0.6292 0.5884 0.6180 -0.0452 -0.0409 -0.0035 757 LYS A N \n439 C CA . LYS A 65 ? 0.6983 0.6592 0.6930 -0.0423 -0.0421 -0.0043 757 LYS A CA \n440 C C . LYS A 65 ? 0.6684 0.6420 0.6741 -0.0396 -0.0354 -0.0058 757 LYS A C \n441 O O . LYS A 65 ? 0.4950 0.4735 0.5108 -0.0357 -0.0365 -0.0061 757 LYS A O \n442 C CB . LYS A 65 ? 0.7462 0.6956 0.7275 -0.0459 -0.0449 -0.0044 757 LYS A CB \n443 C CG . LYS A 65 ? 0.8235 0.7718 0.7942 -0.0503 -0.0382 -0.0054 757 LYS A CG \n444 C CD . LYS A 65 ? 0.8875 0.8232 0.8441 -0.0535 -0.0411 -0.0056 757 LYS A CD \n445 C CE . LYS A 65 ? 1.0394 0.9751 0.9864 -0.0571 -0.0333 -0.0070 757 LYS A CE \n446 N NZ . LYS A 65 ? 1.2974 1.2194 1.2288 -0.0602 -0.0360 -0.0074 757 LYS A NZ \n447 N N . GLU A 66 ? 0.5339 0.5129 0.5379 -0.0417 -0.0287 -0.0065 758 GLU A N \n448 C CA . GLU A 66 ? 0.5727 0.5636 0.5871 -0.0390 -0.0226 -0.0079 758 GLU A CA \n449 C C . GLU A 66 ? 0.5628 0.5620 0.5901 -0.0348 -0.0227 -0.0075 758 GLU A C \n450 O O . GLU A 66 ? 0.5319 0.5383 0.5696 -0.0311 -0.0213 -0.0082 758 GLU A O \n451 C CB . GLU A 66 ? 0.7101 0.7046 0.7198 -0.0424 -0.0158 -0.0087 758 GLU A CB \n452 C CG . GLU A 66 ? 0.9416 0.9464 0.9599 -0.0399 -0.0098 -0.0106 758 GLU A CG \n453 C CD . GLU A 66 ? 1.1205 1.1299 1.1358 -0.0430 -0.0030 -0.0115 758 GLU A CD \n454 O OE1 . GLU A 66 ? 1.3700 1.3894 1.3945 -0.0408 0.0015 -0.0126 758 GLU A OE1 \n455 O OE2 . GLU A 66 ? 1.0307 1.0336 1.0344 -0.0478 -0.0022 -0.0110 758 GLU A OE2 \n456 N N . ILE A 67 ? 0.4829 0.4803 0.5086 -0.0357 -0.0244 -0.0063 759 ILE A N \n457 C CA . ILE A 67 ? 0.4997 0.5022 0.5350 -0.0318 -0.0254 -0.0058 759 ILE A CA \n458 C C . ILE A 67 ? 0.4590 0.4609 0.5016 -0.0275 -0.0299 -0.0056 759 ILE A C \n459 O O . ILE A 67 ? 0.4433 0.4528 0.4968 -0.0236 -0.0284 -0.0059 759 ILE A O \n460 C CB . ILE A 67 ? 0.5400 0.5374 0.5694 -0.0337 -0.0276 -0.0046 759 ILE A CB \n461 C CG1 . ILE A 67 ? 0.5931 0.5944 0.6195 -0.0374 -0.0225 -0.0046 759 ILE A CG1 \n462 C CG2 . ILE A 67 ? 0.5420 0.5415 0.5793 -0.0291 -0.0301 -0.0042 759 ILE A CG2 \n463 C CD1 . ILE A 67 ? 0.5535 0.5491 0.5725 -0.0405 -0.0247 -0.0031 759 ILE A CD1 \n464 N N . LEU A 68 ? 0.4029 0.3958 0.4394 -0.0286 -0.0355 -0.0049 760 LEU A N \n465 C CA . LEU A 68 ? 0.5517 0.5445 0.5960 -0.0249 -0.0403 -0.0046 760 LEU A CA \n466 C C . LEU A 68 ? 0.5372 0.5366 0.5894 -0.0232 -0.0379 -0.0054 760 LEU A C \n467 O O . LEU A 68 ? 0.4592 0.4645 0.5228 -0.0194 -0.0385 -0.0052 760 LEU A O \n468 C CB . LEU A 68 ? 0.4702 0.4514 0.5062 -0.0267 -0.0475 -0.0037 760 LEU A CB \n469 C CG . LEU A 68 ? 0.5156 0.4901 0.5461 -0.0271 -0.0512 -0.0028 760 LEU A CG \n470 C CD1 . LEU A 68 ? 0.6034 0.5646 0.6229 -0.0298 -0.0585 -0.0019 760 LEU A CD1 \n471 C CD2 . LEU A 68 ? 0.4923 0.4723 0.5345 -0.0217 -0.0522 -0.0027 760 LEU A CD2 \n472 N N . ASP A 69 ? 0.4570 0.4554 0.5030 -0.0260 -0.0349 -0.0062 761 ASP A N \n473 C CA . ASP A 69 ? 0.4783 0.4811 0.5297 -0.0247 -0.0330 -0.0071 761 ASP A CA \n474 C C . ASP A 69 ? 0.5570 0.5711 0.6197 -0.0215 -0.0281 -0.0077 761 ASP A C \n475 O O . ASP A 69 ? 0.4906 0.5092 0.5622 -0.0190 -0.0286 -0.0076 761 ASP A O \n476 C CB . ASP A 69 ? 0.5471 0.5453 0.5877 -0.0281 -0.0306 -0.0082 761 ASP A CB \n477 C CG . ASP A 69 ? 0.7236 0.7246 0.7681 -0.0267 -0.0292 -0.0093 761 ASP A CG \n478 O OD1 . ASP A 69 ? 0.6087 0.6131 0.6515 -0.0272 -0.0237 -0.0108 761 ASP A OD1 \n479 O OD2 . ASP A 69 ? 0.5894 0.5891 0.6389 -0.0252 -0.0337 -0.0086 761 ASP A OD2 \n480 N N . GLU A 70 ? 0.4300 0.4482 0.4922 -0.0220 -0.0237 -0.0081 762 GLU A N \n481 C CA . GLU A 70 ? 0.4078 0.4352 0.4794 -0.0193 -0.0196 -0.0085 762 GLU A CA \n482 C C . GLU A 70 ? 0.3738 0.4039 0.4536 -0.0159 -0.0216 -0.0075 762 GLU A C \n483 O O . GLU A 70 ? 0.4230 0.4594 0.5119 -0.0131 -0.0200 -0.0076 762 GLU A O \n484 C CB . GLU A 70 ? 0.4732 0.5038 0.5419 -0.0211 -0.0150 -0.0091 762 GLU A CB \n485 C CG . GLU A 70 ? 0.5558 0.5852 0.6178 -0.0240 -0.0120 -0.0103 762 GLU A CG \n486 C CD . GLU A 70 ? 0.8193 0.8552 0.8829 -0.0248 -0.0066 -0.0112 762 GLU A CD \n487 O OE1 . GLU A 70 ? 0.7418 0.7770 0.7997 -0.0273 -0.0036 -0.0123 762 GLU A OE1 \n488 O OE2 . GLU A 70 ? 0.7233 0.7650 0.7939 -0.0229 -0.0053 -0.0109 762 GLU A OE2 \n489 N N . ALA A 71 ? 0.3592 0.3840 0.4355 -0.0161 -0.0252 -0.0067 763 ALA A N \n490 C CA . ALA A 71 ? 0.3449 0.3718 0.4286 -0.0124 -0.0268 -0.0060 763 ALA A CA \n491 C C . ALA A 71 ? 0.3643 0.3934 0.4565 -0.0100 -0.0294 -0.0056 763 ALA A C \n492 O O . ALA A 71 ? 0.3616 0.3962 0.4631 -0.0066 -0.0284 -0.0054 763 ALA A O \n493 C CB . ALA A 71 ? 0.3676 0.3874 0.4452 -0.0128 -0.0307 -0.0054 763 ALA A CB \n494 N N . TYR A 72 ? 0.3293 0.3539 0.4182 -0.0120 -0.0327 -0.0055 764 TYR A N \n495 C CA . TYR A 72 ? 0.3366 0.3628 0.4338 -0.0102 -0.0361 -0.0047 764 TYR A CA \n496 C C . TYR A 72 ? 0.3166 0.3516 0.4230 -0.0085 -0.0319 -0.0050 764 TYR A C \n497 O O . TYR A 72 ? 0.3194 0.3593 0.4360 -0.0060 -0.0326 -0.0042 764 TYR A O \n498 C CB . TYR A 72 ? 0.3550 0.3738 0.4455 -0.0131 -0.0405 -0.0045 764 TYR A CB \n499 C CG . TYR A 72 ? 0.3434 0.3637 0.4428 -0.0118 -0.0448 -0.0035 764 TYR A CG \n500 C CD1 . TYR A 72 ? 0.3371 0.3606 0.4401 -0.0123 -0.0435 -0.0036 764 TYR A CD1 \n501 C CD2 . TYR A 72 ? 0.3529 0.3714 0.4575 -0.0101 -0.0503 -0.0024 764 TYR A CD2 \n502 C CE1 . TYR A 72 ? 0.4169 0.4418 0.5284 -0.0116 -0.0477 -0.0024 764 TYR A CE1 \n503 C CE2 . TYR A 72 ? 0.3858 0.4066 0.5001 -0.0091 -0.0544 -0.0012 764 TYR A CE2 \n504 C CZ . TYR A 72 ? 0.3495 0.3736 0.4671 -0.0101 -0.0531 -0.0011 764 TYR A CZ \n505 O OH . TYR A 72 ? 0.4096 0.4360 0.5370 -0.0097 -0.0575 0.0002 764 TYR A OH \n506 N N . VAL A 73 ? 0.3378 0.3749 0.4407 -0.0098 -0.0275 -0.0060 765 VAL A N \n507 C CA . VAL A 73 ? 0.3283 0.3725 0.4388 -0.0084 -0.0240 -0.0062 765 VAL A CA \n508 C C . VAL A 73 ? 0.3048 0.3548 0.4224 -0.0055 -0.0212 -0.0059 765 VAL A C \n509 O O . VAL A 73 ? 0.2999 0.3554 0.4260 -0.0037 -0.0199 -0.0053 765 VAL A O \n510 C CB . VAL A 73 ? 0.3849 0.4298 0.4902 -0.0100 -0.0200 -0.0076 765 VAL A CB \n511 C CG1 . VAL A 73 ? 0.4236 0.4747 0.5362 -0.0084 -0.0173 -0.0078 765 VAL A CG1 \n512 C CG2 . VAL A 73 ? 0.4496 0.4878 0.5462 -0.0127 -0.0221 -0.0083 765 VAL A CG2 \n513 N N . MET A 74 ? 0.2829 0.3312 0.3963 -0.0052 -0.0204 -0.0061 766 MET A N \n514 C CA . MET A 74 ? 0.2877 0.3399 0.4058 -0.0024 -0.0179 -0.0059 766 MET A CA \n515 C C . MET A 74 ? 0.3467 0.4001 0.4724 0.0004 -0.0202 -0.0051 766 MET A C \n516 O O . MET A 74 ? 0.3738 0.4322 0.5063 0.0031 -0.0176 -0.0048 766 MET A O \n517 C CB . MET A 74 ? 0.3460 0.3948 0.4566 -0.0031 -0.0169 -0.0063 766 MET A CB \n518 C CG . MET A 74 ? 0.4095 0.4587 0.5145 -0.0059 -0.0141 -0.0071 766 MET A CG \n519 S SD . MET A 74 ? 0.4008 0.4444 0.4965 -0.0079 -0.0150 -0.0070 766 MET A SD \n520 C CE . MET A 74 ? 0.3262 0.3728 0.4185 -0.0109 -0.0110 -0.0077 766 MET A CE \n521 N N . ALA A 75 ? 0.2656 0.3147 0.3904 0.0000 -0.0252 -0.0046 767 ALA A N \n522 C CA . ALA A 75 ? 0.2975 0.3484 0.4312 0.0028 -0.0281 -0.0038 767 ALA A CA \n523 C C . ALA A 75 ? 0.3196 0.3760 0.4633 0.0030 -0.0287 -0.0029 767 ALA A C \n524 O O . ALA A 75 ? 0.3746 0.4355 0.5286 0.0056 -0.0296 -0.0021 767 ALA A O \n525 C CB . ALA A 75 ? 0.2950 0.3382 0.4237 0.0022 -0.0341 -0.0035 767 ALA A CB \n526 N N . SER A 76 ? 0.3572 0.4132 0.4980 0.0002 -0.0282 -0.0029 768 SER A N \n527 C CA . SER A 76 ? 0.3946 0.4539 0.5428 -0.0004 -0.0299 -0.0019 768 SER A CA \n528 C C . SER A 76 ? 0.3727 0.4399 0.5288 0.0006 -0.0249 -0.0016 768 SER A C \n529 O O . SER A 76 ? 0.4448 0.5159 0.6088 0.0002 -0.0260 -0.0004 768 SER A O \n530 C CB . SER A 76 ? 0.3198 0.3734 0.4595 -0.0039 -0.0318 -0.0024 768 SER A CB \n531 O OG . SER A 76 ? 0.4849 0.5409 0.6219 -0.0045 -0.0270 -0.0033 768 SER A OG \n532 N N . VAL A 77 ? 0.3042 0.3734 0.4578 0.0018 -0.0200 -0.0024 769 VAL A N \n533 C CA . VAL A 77 ? 0.3247 0.3998 0.4835 0.0024 -0.0155 -0.0021 769 VAL A CA \n534 C C . VAL A 77 ? 0.3687 0.4501 0.5386 0.0048 -0.0140 -0.0009 769 VAL A C \n535 O O . VAL A 77 ? 0.4329 0.5147 0.6052 0.0074 -0.0141 -0.0011 769 VAL A O \n536 C CB . VAL A 77 ? 0.3814 0.4560 0.5338 0.0027 -0.0111 -0.0032 769 VAL A CB \n537 C CG1 . VAL A 77 ? 0.3608 0.4310 0.5044 0.0002 -0.0118 -0.0043 769 VAL A CG1 \n538 C CG2 . VAL A 77 ? 0.4688 0.5418 0.6187 0.0050 -0.0101 -0.0037 769 VAL A CG2 \n539 N N . ASP A 78 ? 0.3175 0.4037 0.4942 0.0039 -0.0127 0.0001 770 ASP A N \n540 C CA . ASP A 78 ? 0.4067 0.4999 0.5951 0.0056 -0.0111 0.0015 770 ASP A CA \n541 C C . ASP A 78 ? 0.3131 0.4103 0.5035 0.0047 -0.0064 0.0021 770 ASP A C \n542 O O . ASP A 78 ? 0.3297 0.4285 0.5234 0.0022 -0.0076 0.0033 770 ASP A O \n543 C CB . ASP A 78 ? 0.3660 0.4609 0.5627 0.0044 -0.0164 0.0030 770 ASP A CB \n544 C CG . ASP A 78 ? 0.4215 0.5249 0.6323 0.0062 -0.0148 0.0045 770 ASP A CG \n545 O OD1 . ASP A 78 ? 0.4180 0.5248 0.6312 0.0093 -0.0102 0.0039 770 ASP A OD1 \n546 O OD2 . ASP A 78 ? 0.6700 0.7767 0.8894 0.0044 -0.0181 0.0062 770 ASP A OD2 \n547 N N . ASN A 79 ? 0.2585 0.3563 0.4459 0.0066 -0.0014 0.0013 771 ASN A N \n548 C CA . ASN A 79 ? 0.2689 0.3689 0.4561 0.0058 0.0031 0.0018 771 ASN A CA \n549 C C . ASN A 79 ? 0.2652 0.3663 0.4515 0.0088 0.0081 0.0013 771 ASN A C \n550 O O . ASN A 79 ? 0.3167 0.4140 0.4974 0.0109 0.0079 0.0000 771 ASN A O \n551 C CB . ASN A 79 ? 0.3097 0.4047 0.4873 0.0038 0.0027 0.0009 771 ASN A CB \n552 C CG . ASN A 79 ? 0.3228 0.4187 0.4991 0.0029 0.0065 0.0014 771 ASN A CG \n553 O OD1 . ASN A 79 ? 0.3208 0.4155 0.4928 0.0043 0.0101 0.0008 771 ASN A OD1 \n554 N ND2 . ASN A 79 ? 0.3130 0.4101 0.4923 0.0003 0.0054 0.0027 771 ASN A ND2 \n555 N N . PRO A 80 ? 0.3693 0.4748 0.5601 0.0089 0.0128 0.0023 772 PRO A N \n556 C CA . PRO A 80 ? 0.3736 0.4796 0.5632 0.0119 0.0180 0.0018 772 PRO A CA \n557 C C . PRO A 80 ? 0.3282 0.4272 0.5054 0.0126 0.0194 0.0003 772 PRO A C \n558 O O . PRO A 80 ? 0.2973 0.3944 0.4712 0.0155 0.0223 -0.0005 772 PRO A O \n559 C CB . PRO A 80 ? 0.4673 0.5783 0.6622 0.0105 0.0226 0.0034 772 PRO A CB \n560 C CG . PRO A 80 ? 0.5154 0.6308 0.7190 0.0075 0.0190 0.0051 772 PRO A CG \n561 C CD . PRO A 80 ? 0.3635 0.4734 0.5611 0.0060 0.0132 0.0043 772 PRO A CD \n562 N N . HIS A 81 ? 0.3168 0.4120 0.4874 0.0100 0.0173 0.0000 773 HIS A N \n563 C CA . HIS A 81 ? 0.3260 0.4151 0.4860 0.0103 0.0182 -0.0011 773 HIS A CA \n564 C C . HIS A 81 ? 0.2991 0.3839 0.4534 0.0100 0.0142 -0.0023 773 HIS A C \n565 O O . HIS A 81 ? 0.3228 0.4035 0.4695 0.0093 0.0140 -0.0031 773 HIS A O \n566 C CB . HIS A 81 ? 0.2993 0.3870 0.4558 0.0080 0.0198 -0.0005 773 HIS A CB \n567 C CG . HIS A 81 ? 0.4032 0.4948 0.5647 0.0075 0.0238 0.0010 773 HIS A CG \n568 N ND1 . HIS A 81 ? 0.3713 0.4632 0.5321 0.0096 0.0287 0.0010 773 HIS A ND1 \n569 C CD2 . HIS A 81 ? 0.4626 0.5579 0.6300 0.0050 0.0236 0.0025 773 HIS A CD2 \n570 C CE1 . HIS A 81 ? 0.3658 0.4619 0.5319 0.0082 0.0319 0.0026 773 HIS A CE1 \n571 N NE2 . HIS A 81 ? 0.3285 0.4267 0.4988 0.0053 0.0287 0.0037 773 HIS A NE2 \n572 N N . VAL A 82 ? 0.3293 0.4152 0.4873 0.0103 0.0110 -0.0024 774 VAL A N \n573 C CA . VAL A 82 ? 0.3244 0.4062 0.4768 0.0097 0.0074 -0.0034 774 VAL A CA \n574 C C . VAL A 82 ? 0.3232 0.4040 0.4771 0.0121 0.0058 -0.0037 774 VAL A C \n575 O O . VAL A 82 ? 0.3463 0.4307 0.5081 0.0131 0.0048 -0.0030 774 VAL A O \n576 C CB . VAL A 82 ? 0.4008 0.4826 0.5538 0.0070 0.0039 -0.0034 774 VAL A CB \n577 C CG1 . VAL A 82 ? 0.2900 0.3672 0.4357 0.0060 0.0013 -0.0044 774 VAL A CG1 \n578 C CG2 . VAL A 82 ? 0.3588 0.4417 0.5116 0.0051 0.0050 -0.0031 774 VAL A CG2 \n579 N N . CYS A 83 ? 0.3192 0.3949 0.4656 0.0130 0.0053 -0.0047 775 CYS A N \n580 C CA . CYS A 83 ? 0.3447 0.4175 0.4903 0.0149 0.0027 -0.0051 775 CYS A CA \n581 C C . CYS A 83 ? 0.3218 0.3934 0.4678 0.0129 -0.0021 -0.0049 775 CYS A C \n582 O O . CYS A 83 ? 0.3820 0.4530 0.5251 0.0098 -0.0033 -0.0049 775 CYS A O \n583 C CB . CYS A 83 ? 0.3039 0.3703 0.4397 0.0154 0.0027 -0.0059 775 CYS A CB \n584 S SG . CYS A 83 ? 0.3937 0.4590 0.5269 0.0183 0.0077 -0.0063 775 CYS A SG \n585 N N . ARG A 84 ? 0.2800 0.3504 0.4288 0.0146 -0.0051 -0.0049 776 ARG A N \n586 C CA . ARG A 84 ? 0.2602 0.3277 0.4076 0.0125 -0.0103 -0.0047 776 ARG A CA \n587 C C . ARG A 84 ? 0.2505 0.3112 0.3915 0.0133 -0.0138 -0.0052 776 ARG A C \n588 O O . ARG A 84 ? 0.2948 0.3540 0.4357 0.0166 -0.0130 -0.0056 776 ARG A O \n589 C CB . ARG A 84 ? 0.3903 0.4623 0.5478 0.0127 -0.0125 -0.0036 776 ARG A CB \n590 C CG . ARG A 84 ? 0.4227 0.4956 0.5870 0.0161 -0.0147 -0.0035 776 ARG A CG \n591 C CD . ARG A 84 ? 0.6046 0.6802 0.7774 0.0151 -0.0191 -0.0023 776 ARG A CD \n592 N NE . ARG A 84 ? 0.5696 0.6437 0.7469 0.0181 -0.0231 -0.0023 776 ARG A NE \n593 C CZ . ARG A 84 ? 0.6357 0.7027 0.8077 0.0171 -0.0293 -0.0024 776 ARG A CZ \n594 N NH1 . ARG A 84 ? 0.5065 0.5672 0.6682 0.0130 -0.0318 -0.0024 776 ARG A NH1 \n595 N NH2 . ARG A 84 ? 0.7123 0.7782 0.8893 0.0203 -0.0332 -0.0025 776 ARG A NH2 \n596 N N . LEU A 85 ? 0.3523 0.4081 0.4866 0.0102 -0.0174 -0.0052 777 LEU A N \n597 C CA . LEU A 85 ? 0.4424 0.4906 0.5692 0.0099 -0.0214 -0.0054 777 LEU A CA \n598 C C . LEU A 85 ? 0.4605 0.5081 0.5937 0.0124 -0.0258 -0.0050 777 LEU A C \n599 O O . LEU A 85 ? 0.3983 0.4489 0.5381 0.0117 -0.0278 -0.0043 777 LEU A O \n600 C CB . LEU A 85 ? 0.4243 0.4679 0.5421 0.0053 -0.0233 -0.0054 777 LEU A CB \n601 C CG . LEU A 85 ? 0.4833 0.5186 0.5902 0.0034 -0.0260 -0.0055 777 LEU A CG \n602 C CD1 . LEU A 85 ? 0.4002 0.4347 0.5036 0.0047 -0.0231 -0.0059 777 LEU A CD1 \n603 C CD2 . LEU A 85 ? 0.4528 0.4854 0.5520 -0.0013 -0.0263 -0.0055 777 LEU A CD2 \n604 N N . LEU A 86 ? 0.3919 0.4355 0.5237 0.0155 -0.0275 -0.0055 778 LEU A N \n605 C CA . LEU A 86 ? 0.4094 0.4519 0.5474 0.0184 -0.0323 -0.0053 778 LEU A CA \n606 C C . LEU A 86 ? 0.4495 0.4823 0.5785 0.0159 -0.0390 -0.0050 778 LEU A C \n607 O O . LEU A 86 ? 0.5158 0.5470 0.6488 0.0162 -0.0444 -0.0044 778 LEU A O \n608 C CB . LEU A 86 ? 0.3567 0.3996 0.4982 0.0238 -0.0307 -0.0062 778 LEU A CB \n609 C CG . LEU A 86 ? 0.4776 0.5295 0.6286 0.0272 -0.0242 -0.0065 778 LEU A CG \n610 C CD1 . LEU A 86 ? 0.4629 0.5123 0.6132 0.0324 -0.0227 -0.0078 778 LEU A CD1 \n611 C CD2 . LEU A 86 ? 0.6299 0.6907 0.7954 0.0281 -0.0243 -0.0056 778 LEU A CD2 \n612 N N . GLY A 87 ? 0.4424 0.4684 0.5588 0.0131 -0.0390 -0.0053 779 GLY A N \n613 C CA . GLY A 87 ? 0.4418 0.4575 0.5480 0.0106 -0.0450 -0.0050 779 GLY A CA \n614 C C . GLY A 87 ? 0.4039 0.4142 0.4970 0.0060 -0.0437 -0.0049 779 GLY A C \n615 O O . GLY A 87 ? 0.4021 0.4163 0.4942 0.0052 -0.0384 -0.0052 779 GLY A O \n616 N N . ILE A 88 ? 0.4339 0.4348 0.5170 0.0027 -0.0487 -0.0044 780 ILE A N \n617 C CA . ILE A 88 ? 0.3940 0.3896 0.4647 -0.0022 -0.0478 -0.0041 780 ILE A CA \n618 C C . ILE A 88 ? 0.4611 0.4446 0.5213 -0.0038 -0.0544 -0.0035 780 ILE A C \n619 O O . ILE A 88 ? 0.4409 0.4199 0.5025 -0.0023 -0.0601 -0.0033 780 ILE A O \n620 C CB . ILE A 88 ? 0.4429 0.4416 0.5115 -0.0068 -0.0451 -0.0039 780 ILE A CB \n621 C CG1 . ILE A 88 ? 0.4507 0.4467 0.5088 -0.0118 -0.0426 -0.0037 780 ILE A CG1 \n622 C CG2 . ILE A 88 ? 0.4840 0.4783 0.5513 -0.0084 -0.0499 -0.0034 780 ILE A CG2 \n623 C CD1 . ILE A 88 ? 0.5010 0.5021 0.5590 -0.0151 -0.0383 -0.0039 780 ILE A CD1 \n624 N N . CYS A 89 ? 0.4241 0.4021 0.4739 -0.0069 -0.0539 -0.0032 781 CYS A N \n625 C CA . CYS A 89 ? 0.5001 0.4657 0.5380 -0.0093 -0.0600 -0.0024 781 CYS A CA \n626 C C . CYS A 89 ? 0.5421 0.5047 0.5688 -0.0162 -0.0579 -0.0016 781 CYS A C \n627 O O . CYS A 89 ? 0.5386 0.5047 0.5643 -0.0174 -0.0536 -0.0016 781 CYS A O \n628 C CB . CYS A 89 ? 0.5332 0.4940 0.5704 -0.0050 -0.0626 -0.0029 781 CYS A CB \n629 S SG . CYS A 89 ? 0.6760 0.6198 0.6973 -0.0079 -0.0708 -0.0019 781 CYS A SG \n630 N N . LEU A 90 ? 0.5191 0.4755 0.5376 -0.0208 -0.0607 -0.0008 782 LEU A N \n631 C CA . LEU A 90 ? 0.6776 0.6306 0.6849 -0.0277 -0.0585 0.0000 782 LEU A CA \n632 C C . LEU A 90 ? 0.7556 0.6950 0.7494 -0.0309 -0.0645 0.0012 782 LEU A C \n633 O O . LEU A 90 ? 0.7032 0.6334 0.6929 -0.0299 -0.0713 0.0015 782 LEU A O \n634 C CB . LEU A 90 ? 0.6064 0.5606 0.6114 -0.0313 -0.0568 0.0000 782 LEU A CB \n635 C CG . LEU A 90 ? 0.6390 0.6052 0.6562 -0.0286 -0.0516 -0.0011 782 LEU A CG \n636 C CD1 . LEU A 90 ? 0.7460 0.7101 0.7589 -0.0317 -0.0516 -0.0012 782 LEU A CD1 \n637 C CD2 . LEU A 90 ? 0.5959 0.5721 0.6179 -0.0289 -0.0445 -0.0016 782 LEU A CD2 \n638 N N . THR A 91 ? 0.7468 0.6851 0.7344 -0.0344 -0.0624 0.0019 783 THR A N \n639 C CA . THR A 91 ? 0.7666 0.6920 0.7401 -0.0387 -0.0675 0.0034 783 THR A CA \n640 C C . THR A 91 ? 0.7453 0.6729 0.7121 -0.0461 -0.0626 0.0046 783 THR A C \n641 O O . THR A 91 ? 0.8968 0.8296 0.8639 -0.0493 -0.0582 0.0044 783 THR A O \n642 C CB . THR A 91 ? 0.7592 0.6801 0.7327 -0.0347 -0.0709 0.0033 783 THR A CB \n643 O OG1 . THR A 91 ? 0.8318 0.7621 0.8118 -0.0336 -0.0651 0.0029 783 THR A OG1 \n644 C CG2 . THR A 91 ? 0.7956 0.7151 0.7768 -0.0269 -0.0752 0.0020 783 THR A CG2 \n645 N N . SER A 92 ? 0.8181 0.7420 0.7791 -0.0488 -0.0633 0.0057 784 SER A N \n646 C CA . SER A 92 ? 0.8307 0.7600 0.7893 -0.0549 -0.0580 0.0068 784 SER A CA \n647 C C . SER A 92 ? 0.8727 0.8166 0.8451 -0.0515 -0.0513 0.0055 784 SER A C \n648 O O . SER A 92 ? 0.9563 0.9082 0.9308 -0.0555 -0.0458 0.0059 784 SER A O \n649 C CB . SER A 92 ? 0.8791 0.7990 0.8272 -0.0591 -0.0618 0.0086 784 SER A CB \n650 O OG . SER A 92 ? 1.0234 0.9409 0.9749 -0.0533 -0.0650 0.0080 784 SER A OG \n651 N N . THR A 93 ? 0.7430 0.6904 0.7247 -0.0441 -0.0520 0.0041 785 THR A N \n652 C CA . THR A 93 ? 0.6585 0.6185 0.6529 -0.0403 -0.0463 0.0028 785 THR A CA \n653 C C . THR A 93 ? 0.6217 0.5874 0.6258 -0.0348 -0.0452 0.0012 785 THR A C \n654 O O . THR A 93 ? 0.6195 0.5790 0.6218 -0.0328 -0.0497 0.0010 785 THR A O \n655 C CB . THR A 93 ? 0.6707 0.6299 0.6675 -0.0363 -0.0474 0.0026 785 THR A CB \n656 O OG1 . THR A 93 ? 0.6428 0.5963 0.6407 -0.0302 -0.0518 0.0017 785 THR A OG1 \n657 C CG2 . THR A 93 ? 0.7795 0.7315 0.7663 -0.0414 -0.0498 0.0044 785 THR A CG2 \n658 N N . VAL A 94 ? 0.5854 0.5625 0.5998 -0.0327 -0.0397 0.0002 786 VAL A N \n659 C CA . VAL A 94 ? 0.4870 0.4702 0.5118 -0.0273 -0.0385 -0.0010 786 VAL A CA \n660 C C . VAL A 94 ? 0.4544 0.4397 0.4859 -0.0213 -0.0385 -0.0017 786 VAL A C \n661 O O . VAL A 94 ? 0.4946 0.4834 0.5278 -0.0211 -0.0357 -0.0017 786 VAL A O \n662 C CB . VAL A 94 ? 0.4730 0.4664 0.5045 -0.0281 -0.0327 -0.0018 786 VAL A CB \n663 C CG1 . VAL A 94 ? 0.6057 0.6046 0.6474 -0.0231 -0.0321 -0.0029 786 VAL A CG1 \n664 C CG2 . VAL A 94 ? 0.6032 0.5943 0.6272 -0.0338 -0.0320 -0.0014 786 VAL A CG2 \n665 N N . GLN A 95 ? 0.4584 0.4416 0.4940 -0.0164 -0.0415 -0.0023 787 GLN A N \n666 C CA . GLN A 95 ? 0.4419 0.4279 0.4847 -0.0103 -0.0406 -0.0032 787 GLN A CA \n667 C C . GLN A 95 ? 0.4876 0.4817 0.5422 -0.0061 -0.0385 -0.0041 787 GLN A C \n668 O O . GLN A 95 ? 0.4376 0.4302 0.4943 -0.0055 -0.0416 -0.0041 787 GLN A O \n669 C CB . GLN A 95 ? 0.4872 0.4634 0.5248 -0.0074 -0.0459 -0.0033 787 GLN A CB \n670 C CG . GLN A 95 ? 0.4922 0.4603 0.5186 -0.0106 -0.0478 -0.0024 787 GLN A CG \n671 C CD . GLN A 95 ? 0.5414 0.4986 0.5618 -0.0074 -0.0535 -0.0026 787 GLN A CD \n672 O OE1 . GLN A 95 ? 0.5364 0.4926 0.5583 -0.0028 -0.0529 -0.0035 787 GLN A OE1 \n673 N NE2 . GLN A 95 ? 0.5690 0.5172 0.5821 -0.0096 -0.0592 -0.0019 787 GLN A NE2 \n674 N N . LEU A 96 ? 0.4084 0.4104 0.4705 -0.0035 -0.0337 -0.0047 788 LEU A N \n675 C CA . LEU A 96 ? 0.4189 0.4292 0.4925 0.0000 -0.0311 -0.0053 788 LEU A CA \n676 C C . LEU A 96 ? 0.3588 0.3698 0.4380 0.0059 -0.0307 -0.0060 788 LEU A C \n677 O O . LEU A 96 ? 0.3879 0.3967 0.4640 0.0075 -0.0293 -0.0064 788 LEU A O \n678 C CB . LEU A 96 ? 0.3852 0.4036 0.4629 -0.0015 -0.0258 -0.0055 788 LEU A CB \n679 C CG . LEU A 96 ? 0.4145 0.4337 0.4876 -0.0069 -0.0248 -0.0052 788 LEU A CG \n680 C CD1 . LEU A 96 ? 0.4062 0.4335 0.4846 -0.0071 -0.0198 -0.0056 788 LEU A CD1 \n681 C CD2 . LEU A 96 ? 0.4478 0.4656 0.5206 -0.0085 -0.0273 -0.0050 788 LEU A CD2 \n682 N N . ILE A 97 ? 0.3539 0.3682 0.4418 0.0092 -0.0318 -0.0063 789 ILE A N \n683 C CA . ILE A 97 ? 0.3293 0.3447 0.4232 0.0151 -0.0311 -0.0071 789 ILE A CA \n684 C C . ILE A 97 ? 0.2834 0.3092 0.3895 0.0174 -0.0266 -0.0072 789 ILE A C \n685 O O . ILE A 97 ? 0.3709 0.4010 0.4826 0.0158 -0.0273 -0.0067 789 ILE A O \n686 C CB . ILE A 97 ? 0.3966 0.4059 0.4906 0.0178 -0.0371 -0.0072 789 ILE A CB \n687 C CG1 . ILE A 97 ? 0.4513 0.4488 0.5317 0.0155 -0.0416 -0.0070 789 ILE A CG1 \n688 C CG2 . ILE A 97 ? 0.4095 0.4218 0.5122 0.0246 -0.0357 -0.0083 789 ILE A CG2 \n689 C CD1 . ILE A 97 ? 0.4681 0.4609 0.5414 0.0096 -0.0455 -0.0059 789 ILE A CD1 \n690 N N . THR A 98 ? 0.2715 0.3003 0.3804 0.0209 -0.0222 -0.0079 790 THR A N \n691 C CA . THR A 98 ? 0.2916 0.3298 0.4109 0.0227 -0.0173 -0.0078 790 THR A CA \n692 C C . THR A 98 ? 0.3129 0.3524 0.4365 0.0283 -0.0142 -0.0088 790 THR A C \n693 O O . THR A 98 ? 0.3240 0.3564 0.4406 0.0308 -0.0151 -0.0096 790 THR A O \n694 C CB . THR A 98 ? 0.3272 0.3689 0.4444 0.0193 -0.0132 -0.0075 790 THR A CB \n695 O OG1 . THR A 98 ? 0.3717 0.4218 0.4986 0.0202 -0.0094 -0.0072 790 THR A OG1 \n696 C CG2 . THR A 98 ? 0.3465 0.3837 0.4556 0.0200 -0.0109 -0.0080 790 THR A CG2 \n697 N N . GLN A 99 ? 0.3274 0.3756 0.4620 0.0304 -0.0104 -0.0086 791 GLN A N \n698 C CA . GLN A 99 ? 0.3985 0.4489 0.5376 0.0357 -0.0063 -0.0096 791 GLN A CA \n699 C C . GLN A 99 ? 0.3728 0.4180 0.5017 0.0361 -0.0026 -0.0103 791 GLN A C \n700 O O . GLN A 99 ? 0.3690 0.4150 0.4939 0.0325 -0.0004 -0.0097 791 GLN A O \n701 C CB . GLN A 99 ? 0.3732 0.4343 0.5255 0.0367 -0.0021 -0.0089 791 GLN A CB \n702 C CG . GLN A 99 ? 0.4730 0.5375 0.6303 0.0419 0.0035 -0.0099 791 GLN A CG \n703 C CD . GLN A 99 ? 0.6244 0.7001 0.7950 0.0420 0.0079 -0.0089 791 GLN A CD \n704 O OE1 . GLN A 99 ? 0.5789 0.6593 0.7541 0.0380 0.0067 -0.0075 791 GLN A OE1 \n705 N NE2 . GLN A 99 ? 0.6961 0.7758 0.8724 0.0466 0.0132 -0.0097 791 GLN A NE2 \n706 N N . LEU A 100 ? 0.3403 0.3796 0.4645 0.0404 -0.0023 -0.0116 792 LEU A N \n707 C CA . LEU A 100 ? 0.3815 0.4147 0.4952 0.0410 0.0007 -0.0123 792 LEU A CA \n708 C C . LEU A 100 ? 0.4952 0.5346 0.6133 0.0422 0.0078 -0.0122 792 LEU A C \n709 O O . LEU A 100 ? 0.3776 0.4238 0.5059 0.0456 0.0112 -0.0126 792 LEU A O \n710 C CB . LEU A 100 ? 0.3286 0.3526 0.4351 0.0457 -0.0007 -0.0138 792 LEU A CB \n711 C CG . LEU A 100 ? 0.3904 0.4062 0.4846 0.0465 0.0017 -0.0145 792 LEU A CG \n712 C CD1 . LEU A 100 ? 0.3710 0.3815 0.4552 0.0404 -0.0016 -0.0133 792 LEU A CD1 \n713 C CD2 . LEU A 100 ? 0.3924 0.3992 0.4802 0.0522 0.0008 -0.0164 792 LEU A CD2 \n714 N N . MET A 101 ? 0.3887 0.4258 0.4994 0.0390 0.0098 -0.0118 793 MET A N \n715 C CA . MET A 101 ? 0.4374 0.4782 0.5495 0.0396 0.0161 -0.0117 793 MET A CA \n716 C C . MET A 101 ? 0.4038 0.4348 0.5036 0.0420 0.0180 -0.0128 793 MET A C \n717 O O . MET A 101 ? 0.3648 0.3892 0.4544 0.0390 0.0162 -0.0124 793 MET A O \n718 C CB . MET A 101 ? 0.3443 0.3889 0.4569 0.0344 0.0166 -0.0103 793 MET A CB \n719 C CG . MET A 101 ? 0.5458 0.5983 0.6684 0.0316 0.0145 -0.0092 793 MET A CG \n720 S SD . MET A 101 ? 0.6483 0.7117 0.7850 0.0333 0.0192 -0.0086 793 MET A SD \n721 C CE . MET A 101 ? 0.5493 0.6154 0.6950 0.0360 0.0150 -0.0089 793 MET A CE \n722 N N . PRO A 102 ? 0.4067 0.4365 0.5073 0.0476 0.0216 -0.0142 794 PRO A N \n723 C CA . PRO A 102 ? 0.3543 0.3727 0.4416 0.0503 0.0223 -0.0156 794 PRO A CA \n724 C C . PRO A 102 ? 0.3264 0.3414 0.4058 0.0494 0.0273 -0.0154 794 PRO A C \n725 O O . PRO A 102 ? 0.4113 0.4156 0.4780 0.0509 0.0272 -0.0163 794 PRO A O \n726 C CB . PRO A 102 ? 0.5040 0.5228 0.5959 0.0572 0.0246 -0.0174 794 PRO A CB \n727 C CG . PRO A 102 ? 0.5059 0.5383 0.6140 0.0577 0.0286 -0.0168 794 PRO A CG \n728 C CD . PRO A 102 ? 0.5088 0.5471 0.6225 0.0518 0.0246 -0.0148 794 PRO A CD \n729 N N . PHE A 103 ? 0.3433 0.3664 0.4292 0.0467 0.0310 -0.0142 795 PHE A N \n730 C CA . PHE A 103 ? 0.3946 0.4129 0.4713 0.0448 0.0343 -0.0138 795 PHE A CA \n731 C C . PHE A 103 ? 0.3683 0.3813 0.4371 0.0396 0.0291 -0.0127 795 PHE A C \n732 O O . PHE A 103 ? 0.4552 0.4619 0.5145 0.0380 0.0302 -0.0123 795 PHE A O \n733 C CB . PHE A 103 ? 0.4566 0.4837 0.5413 0.0439 0.0403 -0.0129 795 PHE A CB \n734 C CG . PHE A 103 ? 0.5572 0.5894 0.6490 0.0489 0.0466 -0.0140 795 PHE A CG \n735 C CD1 . PHE A 103 ? 0.6227 0.6676 0.7299 0.0487 0.0492 -0.0130 795 PHE A CD1 \n736 C CD2 . PHE A 103 ? 0.7015 0.7257 0.7848 0.0540 0.0497 -0.0159 795 PHE A CD2 \n737 C CE1 . PHE A 103 ? 0.8664 0.9173 0.9819 0.0532 0.0551 -0.0139 795 PHE A CE1 \n738 C CE2 . PHE A 103 ? 0.7734 0.8031 0.8642 0.0591 0.0560 -0.0171 795 PHE A CE2 \n739 C CZ . PHE A 103 ? 0.8085 0.8523 0.9161 0.0586 0.0588 -0.0161 795 PHE A CZ \n740 N N . GLY A 104 ? 0.3761 0.3917 0.4489 0.0371 0.0236 -0.0121 796 GLY A N \n741 C CA . GLY A 104 ? 0.4056 0.4165 0.4716 0.0324 0.0185 -0.0111 796 GLY A CA \n742 C C . GLY A 104 ? 0.3938 0.4113 0.4649 0.0280 0.0185 -0.0098 796 GLY A C \n743 O O . GLY A 104 ? 0.3608 0.3869 0.4414 0.0280 0.0215 -0.0094 796 GLY A O \n744 N N . CYS A 105 ? 0.3610 0.3744 0.4261 0.0243 0.0149 -0.0091 797 CYS A N \n745 C CA . CYS A 105 ? 0.3421 0.3614 0.4121 0.0206 0.0147 -0.0081 797 CYS A CA \n746 C C . CYS A 105 ? 0.3611 0.3783 0.4274 0.0204 0.0179 -0.0077 797 CYS A C \n747 O O . CYS A 105 ? 0.3583 0.3670 0.4150 0.0222 0.0196 -0.0081 797 CYS A O \n748 C CB . CYS A 105 ? 0.5173 0.5354 0.5852 0.0167 0.0096 -0.0075 797 CYS A CB \n749 S SG . CYS A 105 ? 0.7160 0.7223 0.7704 0.0157 0.0067 -0.0072 797 CYS A SG \n750 N N . LEU A 106 ? 0.4149 0.4386 0.4878 0.0182 0.0186 -0.0069 798 LEU A N \n751 C CA . LEU A 106 ? 0.4063 0.4280 0.4759 0.0174 0.0212 -0.0064 798 LEU A CA \n752 C C . LEU A 106 ? 0.3466 0.3595 0.4060 0.0155 0.0179 -0.0061 798 LEU A C \n753 O O . LEU A 106 ? 0.3853 0.3915 0.4369 0.0157 0.0196 -0.0059 798 LEU A O \n754 C CB . LEU A 106 ? 0.3199 0.3500 0.3987 0.0152 0.0218 -0.0056 798 LEU A CB \n755 C CG . LEU A 106 ? 0.3493 0.3778 0.4257 0.0144 0.0248 -0.0049 798 LEU A CG \n756 C CD1 . LEU A 106 ? 0.4080 0.4343 0.4812 0.0171 0.0306 -0.0050 798 LEU A CD1 \n757 C CD2 . LEU A 106 ? 0.3291 0.3657 0.4149 0.0124 0.0248 -0.0041 798 LEU A CD2 \n758 N N . LEU A 107 ? 0.3785 0.3911 0.4379 0.0135 0.0130 -0.0060 799 LEU A N \n759 C CA . LEU A 107 ? 0.3699 0.3747 0.4209 0.0114 0.0092 -0.0055 799 LEU A CA \n760 C C . LEU A 107 ? 0.4027 0.3960 0.4413 0.0135 0.0096 -0.0059 799 LEU A C \n761 O O . LEU A 107 ? 0.3910 0.3759 0.4204 0.0129 0.0090 -0.0055 799 LEU A O \n762 C CB . LEU A 107 ? 0.3957 0.4033 0.4501 0.0087 0.0043 -0.0052 799 LEU A CB \n763 C CG . LEU A 107 ? 0.3809 0.3812 0.4279 0.0063 -0.0002 -0.0044 799 LEU A CG \n764 C CD1 . LEU A 107 ? 0.4512 0.4507 0.4980 0.0050 -0.0009 -0.0039 799 LEU A CD1 \n765 C CD2 . LEU A 107 ? 0.4496 0.4535 0.5005 0.0034 -0.0044 -0.0040 799 LEU A CD2 \n766 N N . ASP A 108 ? 0.4040 0.3961 0.4416 0.0161 0.0105 -0.0067 800 ASP A N \n767 C CA . ASP A 108 ? 0.4402 0.4206 0.4654 0.0186 0.0109 -0.0074 800 ASP A CA \n768 C C . ASP A 108 ? 0.4029 0.3806 0.4241 0.0213 0.0168 -0.0079 800 ASP A C \n769 O O . ASP A 108 ? 0.4211 0.3876 0.4298 0.0222 0.0172 -0.0081 800 ASP A O \n770 C CB . ASP A 108 ? 0.4416 0.4208 0.4667 0.0211 0.0101 -0.0083 800 ASP A CB \n771 C CG . ASP A 108 ? 0.6607 0.6389 0.6853 0.0179 0.0039 -0.0076 800 ASP A CG \n772 O OD1 . ASP A 108 ? 0.7045 0.6852 0.7327 0.0188 0.0027 -0.0080 800 ASP A OD1 \n773 O OD2 . ASP A 108 ? 0.6367 0.6116 0.6575 0.0144 0.0001 -0.0066 800 ASP A OD2 \n774 N N . TYR A 109 ? 0.4114 0.3990 0.4430 0.0223 0.0213 -0.0079 801 TYR A N \n775 C CA . TYR A 109 ? 0.4642 0.4512 0.4939 0.0245 0.0278 -0.0082 801 TYR A CA \n776 C C . TYR A 109 ? 0.4581 0.4390 0.4798 0.0219 0.0280 -0.0073 801 TYR A C \n777 O O . TYR A 109 ? 0.4642 0.4361 0.4749 0.0235 0.0313 -0.0077 801 TYR A O \n778 C CB . TYR A 109 ? 0.3880 0.3878 0.4318 0.0252 0.0317 -0.0081 801 TYR A CB \n779 C CG . TYR A 109 ? 0.5007 0.5013 0.5441 0.0277 0.0390 -0.0084 801 TYR A CG \n780 C CD1 . TYR A 109 ? 0.4992 0.5000 0.5411 0.0253 0.0419 -0.0073 801 TYR A CD1 \n781 C CD2 . TYR A 109 ? 0.4948 0.4961 0.5395 0.0323 0.0432 -0.0098 801 TYR A CD2 \n782 C CE1 . TYR A 109 ? 0.5599 0.5617 0.6014 0.0271 0.0492 -0.0074 801 TYR A CE1 \n783 C CE2 . TYR A 109 ? 0.5858 0.5888 0.6311 0.0346 0.0507 -0.0101 801 TYR A CE2 \n784 C CZ . TYR A 109 ? 0.5949 0.5983 0.6384 0.0317 0.0539 -0.0088 801 TYR A CZ \n785 O OH . TYR A 109 ? 0.6514 0.6569 0.6953 0.0334 0.0617 -0.0089 801 TYR A OH \n786 N N . VAL A 110 ? 0.4315 0.4164 0.4580 0.0182 0.0243 -0.0061 802 VAL A N \n787 C CA . VAL A 110 ? 0.4178 0.3958 0.4365 0.0158 0.0232 -0.0052 802 VAL A CA \n788 C C . VAL A 110 ? 0.4576 0.4216 0.4616 0.0152 0.0191 -0.0051 802 VAL A C \n789 O O . VAL A 110 ? 0.4756 0.4302 0.4688 0.0146 0.0201 -0.0047 802 VAL A O \n790 C CB . VAL A 110 ? 0.4476 0.4329 0.4752 0.0124 0.0200 -0.0041 802 VAL A CB \n791 C CG1 . VAL A 110 ? 0.3984 0.3953 0.4382 0.0128 0.0240 -0.0040 802 VAL A CG1 \n792 C CG2 . VAL A 110 ? 0.3762 0.3643 0.4084 0.0106 0.0137 -0.0041 802 VAL A CG2 \n793 N N . ARG A 111 ? 0.4573 0.4196 0.4608 0.0149 0.0143 -0.0053 803 ARG A N \n794 C CA . ARG A 111 ? 0.4527 0.4016 0.4426 0.0142 0.0098 -0.0052 803 ARG A CA \n795 C C . ARG A 111 ? 0.4703 0.4081 0.4470 0.0178 0.0141 -0.0063 803 ARG A C \n796 O O . ARG A 111 ? 0.5044 0.4293 0.4670 0.0173 0.0130 -0.0061 803 ARG A O \n797 C CB . ARG A 111 ? 0.4974 0.4480 0.4906 0.0130 0.0043 -0.0051 803 ARG A CB \n798 C CG . ARG A 111 ? 0.5260 0.4836 0.5281 0.0091 -0.0007 -0.0039 803 ARG A CG \n799 C CD . ARG A 111 ? 0.4890 0.4510 0.4965 0.0077 -0.0045 -0.0038 803 ARG A CD \n800 N NE . ARG A 111 ? 0.4054 0.3742 0.4213 0.0040 -0.0089 -0.0028 803 ARG A NE \n801 C CZ . ARG A 111 ? 0.5389 0.5119 0.5596 0.0018 -0.0124 -0.0023 803 ARG A CZ \n802 N NH1 . ARG A 111 ? 0.5208 0.4913 0.5384 0.0027 -0.0127 -0.0027 803 ARG A NH1 \n803 N NH2 . ARG A 111 ? 0.4661 0.4458 0.4949 -0.0013 -0.0157 -0.0015 803 ARG A NH2 \n804 N N . GLU A 112 ? 0.5156 0.4585 0.4970 0.0215 0.0190 -0.0076 804 GLU A N \n805 C CA . GLU A 112 ? 0.5553 0.4889 0.5255 0.0258 0.0237 -0.0091 804 GLU A CA \n806 C C . GLU A 112 ? 0.6571 0.5881 0.6220 0.0267 0.0306 -0.0092 804 GLU A C \n807 O O . GLU A 112 ? 0.5822 0.5000 0.5318 0.0284 0.0329 -0.0099 804 GLU A O \n808 C CB . GLU A 112 ? 0.5509 0.4913 0.5291 0.0298 0.0263 -0.0106 804 GLU A CB \n809 C CG . GLU A 112 ? 0.7811 0.7131 0.7497 0.0351 0.0315 -0.0125 804 GLU A CG \n810 C CD . GLU A 112 ? 1.0209 0.9387 0.9757 0.0363 0.0266 -0.0133 804 GLU A CD \n811 O OE1 . GLU A 112 ? 1.0297 0.9415 0.9790 0.0324 0.0194 -0.0120 804 GLU A OE1 \n812 O OE2 . GLU A 112 ? 1.2961 1.2086 1.2455 0.0413 0.0297 -0.0153 804 GLU A OE2 \n813 N N . HIS A 113 ? 0.5199 0.4626 0.4966 0.0254 0.0340 -0.0085 805 HIS A N \n814 C CA . HIS A 113 ? 0.5767 0.5193 0.5508 0.0261 0.0414 -0.0084 805 HIS A CA \n815 C C . HIS A 113 ? 0.5795 0.5185 0.5490 0.0218 0.0399 -0.0067 805 HIS A C \n816 O O . HIS A 113 ? 0.6858 0.6267 0.6553 0.0213 0.0457 -0.0062 805 HIS A O \n817 C CB . HIS A 113 ? 0.5816 0.5393 0.5716 0.0280 0.0473 -0.0087 805 HIS A CB \n818 C CG . HIS A 113 ? 0.6849 0.6450 0.6785 0.0329 0.0495 -0.0105 805 HIS A CG \n819 N ND1 . HIS A 113 ? 0.7015 0.6694 0.7060 0.0334 0.0453 -0.0108 805 HIS A ND1 \n820 C CD2 . HIS A 113 ? 0.7209 0.6756 0.7076 0.0376 0.0551 -0.0123 805 HIS A CD2 \n821 C CE1 . HIS A 113 ? 0.7756 0.7428 0.7802 0.0382 0.0478 -0.0125 805 HIS A CE1 \n822 N NE2 . HIS A 113 ? 0.8042 0.7638 0.7986 0.0410 0.0539 -0.0136 805 HIS A NE2 \n823 N N . LYS A 114 ? 0.6002 0.5337 0.5659 0.0187 0.0321 -0.0057 806 LYS A N \n824 C CA . LYS A 114 ? 0.6080 0.5379 0.5702 0.0147 0.0292 -0.0042 806 LYS A CA \n825 C C . LYS A 114 ? 0.7608 0.6818 0.7108 0.0144 0.0349 -0.0038 806 LYS A C \n826 O O . LYS A 114 ? 0.7233 0.6492 0.6778 0.0123 0.0372 -0.0027 806 LYS A O \n827 C CB . LYS A 114 ? 0.5873 0.5082 0.5427 0.0123 0.0202 -0.0035 806 LYS A CB \n828 C CG . LYS A 114 ? 0.7904 0.7055 0.7408 0.0086 0.0163 -0.0020 806 LYS A CG \n829 C CD . LYS A 114 ? 0.8675 0.7736 0.8116 0.0063 0.0072 -0.0012 806 LYS A CD \n830 C CE . LYS A 114 ? 0.8782 0.7789 0.8185 0.0030 0.0031 0.0001 806 LYS A CE \n831 N NZ . LYS A 114 ? 0.8261 0.7127 0.7543 0.0011 -0.0048 0.0010 806 LYS A NZ \n832 N N . ASP A 115 ? 0.7263 0.6340 0.6603 0.0165 0.0373 -0.0048 807 ASP A N \n833 C CA . ASP A 115 ? 0.7804 0.6772 0.6997 0.0161 0.0427 -0.0045 807 ASP A CA \n834 C C . ASP A 115 ? 0.8540 0.7601 0.7799 0.0176 0.0530 -0.0048 807 ASP A C \n835 O O . ASP A 115 ? 0.7816 0.6802 0.6964 0.0167 0.0585 -0.0044 807 ASP A O \n836 C CB . ASP A 115 ? 0.8687 0.7477 0.7680 0.0182 0.0425 -0.0057 807 ASP A CB \n837 C CG . ASP A 115 ? 1.0147 0.8829 0.9061 0.0159 0.0319 -0.0050 807 ASP A CG \n838 O OD1 . ASP A 115 ? 0.9490 0.8207 0.8468 0.0121 0.0255 -0.0033 807 ASP A OD1 \n839 O OD2 . ASP A 115 ? 1.0384 0.8947 0.9173 0.0178 0.0300 -0.0060 807 ASP A OD2 \n840 N N . ASN A 116 ? 0.6258 0.5480 0.5695 0.0196 0.0555 -0.0054 808 ASN A N \n841 C CA . ASN A 116 ? 0.7510 0.6839 0.7038 0.0209 0.0647 -0.0054 808 ASN A CA \n842 C C . ASN A 116 ? 0.6852 0.6342 0.6568 0.0185 0.0639 -0.0041 808 ASN A C \n843 O O . ASN A 116 ? 0.6441 0.6033 0.6254 0.0191 0.0706 -0.0038 808 ASN A O \n844 C CB . ASN A 116 ? 0.6487 0.5854 0.6049 0.0265 0.0703 -0.0076 808 ASN A CB \n845 C CG . ASN A 116 ? 0.8406 0.7616 0.7774 0.0294 0.0744 -0.0091 808 ASN A CG \n846 O OD1 . ASN A 116 ? 0.9816 0.8953 0.9072 0.0282 0.0800 -0.0087 808 ASN A OD1 \n847 N ND2 . ASN A 116 ? 0.8244 0.7393 0.7563 0.0330 0.0715 -0.0109 808 ASN A ND2 \n848 N N . ILE A 117 ? 0.6391 0.5902 0.6160 0.0158 0.0556 -0.0032 809 ILE A N \n849 C CA . ILE A 117 ? 0.5335 0.4983 0.5269 0.0136 0.0539 -0.0021 809 ILE A CA \n850 C C . ILE A 117 ? 0.5969 0.5588 0.5868 0.0093 0.0532 -0.0002 809 ILE A C \n851 O O . ILE A 117 ? 0.5430 0.4950 0.5235 0.0069 0.0474 0.0003 809 ILE A O \n852 C CB . ILE A 117 ? 0.5302 0.5001 0.5324 0.0134 0.0460 -0.0024 809 ILE A CB \n853 C CG1 . ILE A 117 ? 0.4537 0.4281 0.4612 0.0173 0.0468 -0.0040 809 ILE A CG1 \n854 C CG2 . ILE A 117 ? 0.4892 0.4707 0.5056 0.0108 0.0437 -0.0013 809 ILE A CG2 \n855 C CD1 . ILE A 117 ? 0.4454 0.4207 0.4564 0.0169 0.0391 -0.0044 809 ILE A CD1 \n856 N N . GLY A 118 ? 0.5449 0.5155 0.5429 0.0081 0.0587 0.0007 810 GLY A N \n857 C CA . GLY A 118 ? 0.5873 0.5558 0.5829 0.0037 0.0583 0.0026 810 GLY A CA \n858 C C . GLY A 118 ? 0.5178 0.4959 0.5269 0.0015 0.0529 0.0035 810 GLY A C \n859 O O . GLY A 118 ? 0.5092 0.4971 0.5308 0.0032 0.0504 0.0027 810 GLY A O \n860 N N . SER A 119 ? 0.4714 0.4457 0.4770 -0.0023 0.0510 0.0052 811 SER A N \n861 C CA . SER A 119 ? 0.5029 0.4838 0.5189 -0.0043 0.0453 0.0059 811 SER A CA \n862 C C . SER A 119 ? 0.5052 0.5011 0.5379 -0.0038 0.0480 0.0060 811 SER A C \n863 O O . SER A 119 ? 0.4350 0.4377 0.4779 -0.0037 0.0431 0.0056 811 SER A O \n864 C CB . SER A 119 ? 0.5489 0.5218 0.5569 -0.0084 0.0431 0.0076 811 SER A CB \n865 O OG . SER A 119 ? 0.5924 0.5636 0.5952 -0.0103 0.0506 0.0090 811 SER A OG \n866 N N . GLN A 120 ? 0.4439 0.4446 0.4793 -0.0036 0.0559 0.0066 812 GLN A N \n867 C CA . GLN A 120 ? 0.4489 0.4637 0.5003 -0.0035 0.0585 0.0071 812 GLN A CA \n868 C C . GLN A 120 ? 0.4343 0.4570 0.4962 0.0000 0.0561 0.0054 812 GLN A C \n869 O O . GLN A 120 ? 0.3946 0.4263 0.4687 -0.0004 0.0531 0.0056 812 GLN A O \n870 C CB . GLN A 120 ? 0.5184 0.5369 0.5708 -0.0035 0.0678 0.0080 812 GLN A CB \n871 C CG . GLN A 120 ? 0.4949 0.5279 0.5644 -0.0042 0.0703 0.0090 812 GLN A CG \n872 C CD . GLN A 120 ? 0.5588 0.5933 0.6318 -0.0091 0.0671 0.0112 812 GLN A CD \n873 O OE1 . GLN A 120 ? 0.5296 0.5608 0.5971 -0.0127 0.0707 0.0132 812 GLN A OE1 \n874 N NE2 . GLN A 120 ? 0.4927 0.5318 0.5741 -0.0092 0.0604 0.0109 812 GLN A NE2 \n875 N N . TYR A 121 ? 0.3846 0.4033 0.4409 0.0035 0.0573 0.0038 813 TYR A N \n876 C CA . TYR A 121 ? 0.3790 0.4039 0.4437 0.0067 0.0550 0.0022 813 TYR A CA \n877 C C . TYR A 121 ? 0.3641 0.3887 0.4309 0.0058 0.0469 0.0018 813 TYR A C \n878 O O . TYR A 121 ? 0.3389 0.3720 0.4168 0.0064 0.0445 0.0014 813 TYR A O \n879 C CB . TYR A 121 ? 0.4580 0.4766 0.5143 0.0105 0.0575 0.0005 813 TYR A CB \n880 C CG . TYR A 121 ? 0.6258 0.6496 0.6862 0.0132 0.0655 0.0002 813 TYR A CG \n881 C CD1 . TYR A 121 ? 0.6517 0.6852 0.7245 0.0164 0.0662 -0.0007 813 TYR A CD1 \n882 C CD2 . TYR A 121 ? 0.6474 0.6665 0.6996 0.0126 0.0724 0.0008 813 TYR A CD2 \n883 C CE1 . TYR A 121 ? 0.8278 0.8668 0.9058 0.0193 0.0734 -0.0011 813 TYR A CE1 \n884 C CE2 . TYR A 121 ? 0.7789 0.8038 0.8360 0.0153 0.0804 0.0004 813 TYR A CE2 \n885 C CZ . TYR A 121 ? 0.8693 0.9046 0.9400 0.0189 0.0808 -0.0006 813 TYR A CZ \n886 O OH . TYR A 121 ? 0.9235 0.9653 1.0004 0.0220 0.0886 -0.0012 813 TYR A OH \n887 N N . LEU A 122 ? 0.4396 0.4543 0.4958 0.0043 0.0428 0.0018 814 LEU A N \n888 C CA . LEU A 122 ? 0.3665 0.3811 0.4249 0.0036 0.0356 0.0013 814 LEU A CA \n889 C C . LEU A 122 ? 0.4173 0.4395 0.4860 0.0016 0.0331 0.0020 814 LEU A C \n890 O O . LEU A 122 ? 0.3781 0.4062 0.4547 0.0021 0.0296 0.0012 814 LEU A O \n891 C CB . LEU A 122 ? 0.4188 0.4216 0.4649 0.0021 0.0314 0.0015 814 LEU A CB \n892 C CG . LEU A 122 ? 0.4067 0.4004 0.4418 0.0040 0.0312 0.0007 814 LEU A CG \n893 C CD1 . LEU A 122 ? 0.3933 0.3736 0.4142 0.0021 0.0289 0.0014 814 LEU A CD1 \n894 C CD2 . LEU A 122 ? 0.3891 0.3859 0.4291 0.0052 0.0264 -0.0004 814 LEU A CD2 \n895 N N . LEU A 123 ? 0.3817 0.4032 0.4495 -0.0008 0.0350 0.0035 815 LEU A N \n896 C CA . LEU A 123 ? 0.3759 0.4034 0.4524 -0.0028 0.0326 0.0042 815 LEU A CA \n897 C C . LEU A 123 ? 0.3215 0.3603 0.4107 -0.0019 0.0347 0.0042 815 LEU A C \n898 O O . LEU A 123 ? 0.2829 0.3269 0.3800 -0.0023 0.0310 0.0039 815 LEU A O \n899 C CB . LEU A 123 ? 0.3465 0.3691 0.4177 -0.0061 0.0335 0.0060 815 LEU A CB \n900 C CG . LEU A 123 ? 0.4061 0.4170 0.4656 -0.0074 0.0292 0.0061 815 LEU A CG \n901 C CD1 . LEU A 123 ? 0.4393 0.4437 0.4911 -0.0108 0.0312 0.0081 815 LEU A CD1 \n902 C CD2 . LEU A 123 ? 0.4524 0.4642 0.5162 -0.0073 0.0220 0.0052 815 LEU A CD2 \n903 N N . ASN A 124 ? 0.3434 0.3856 0.4348 -0.0006 0.0405 0.0045 816 ASN A N \n904 C CA . ASN A 124 ? 0.3484 0.4013 0.4525 0.0005 0.0420 0.0044 816 ASN A CA \n905 C C . ASN A 124 ? 0.3058 0.3612 0.4138 0.0029 0.0380 0.0027 816 ASN A C \n906 O O . ASN A 124 ? 0.3020 0.3639 0.4190 0.0027 0.0355 0.0026 816 ASN A O \n907 C CB . ASN A 124 ? 0.3402 0.3966 0.4466 0.0021 0.0491 0.0048 816 ASN A CB \n908 C CG . ASN A 124 ? 0.4751 0.5329 0.5821 -0.0009 0.0537 0.0069 816 ASN A CG \n909 O OD1 . ASN A 124 ? 0.5089 0.5652 0.6152 -0.0044 0.0510 0.0083 816 ASN A OD1 \n910 N ND2 . ASN A 124 ? 0.5045 0.5652 0.6127 0.0004 0.0607 0.0072 816 ASN A ND2 \n911 N N . TRP A 125 ? 0.3493 0.3987 0.4495 0.0049 0.0370 0.0014 817 TRP A N \n912 C CA . TRP A 125 ? 0.3803 0.4316 0.4835 0.0064 0.0330 0.0000 817 TRP A CA \n913 C C . TRP A 125 ? 0.3072 0.3602 0.4139 0.0045 0.0278 0.0000 817 TRP A C \n914 O O . TRP A 125 ? 0.2947 0.3528 0.4079 0.0050 0.0255 -0.0007 817 TRP A O \n915 C CB . TRP A 125 ? 0.4000 0.4440 0.4940 0.0082 0.0322 -0.0010 817 TRP A CB \n916 C CG . TRP A 125 ? 0.4051 0.4471 0.4957 0.0110 0.0372 -0.0014 817 TRP A CG \n917 C CD1 . TRP A 125 ? 0.4358 0.4846 0.5342 0.0128 0.0414 -0.0013 817 TRP A CD1 \n918 C CD2 . TRP A 125 ? 0.3837 0.4162 0.4623 0.0123 0.0385 -0.0020 817 TRP A CD2 \n919 N NE1 . TRP A 125 ? 0.3879 0.4321 0.4799 0.0157 0.0456 -0.0021 817 TRP A NE1 \n920 C CE2 . TRP A 125 ? 0.4976 0.5312 0.5766 0.0153 0.0439 -0.0025 817 TRP A CE2 \n921 C CE3 . TRP A 125 ? 0.4140 0.4367 0.4814 0.0113 0.0352 -0.0021 817 TRP A CE3 \n922 C CZ2 . TRP A 125 ? 0.4287 0.4532 0.4962 0.0175 0.0466 -0.0033 817 TRP A CZ2 \n923 C CZ3 . TRP A 125 ? 0.4509 0.4642 0.5066 0.0130 0.0373 -0.0027 817 TRP A CZ3 \n924 C CH2 . TRP A 125 ? 0.4765 0.4904 0.5318 0.0162 0.0431 -0.0034 817 TRP A CH2 \n925 N N . CYS A 126 ? 0.3464 0.3947 0.4482 0.0025 0.0259 0.0003 818 CYS A N \n926 C CA . CYS A 126 ? 0.3069 0.3563 0.4116 0.0013 0.0211 0.0000 818 CYS A CA \n927 C C . CYS A 126 ? 0.2921 0.3482 0.4057 0.0003 0.0208 0.0004 818 CYS A C \n928 O O . CYS A 126 ? 0.2523 0.3117 0.3705 0.0003 0.0177 -0.0004 818 CYS A O \n929 C CB . CYS A 126 ? 0.3421 0.3845 0.4399 -0.0002 0.0189 0.0004 818 CYS A CB \n930 S SG . CYS A 126 ? 0.3710 0.4046 0.4582 0.0006 0.0172 -0.0001 818 CYS A SG \n931 N N . VAL A 127 ? 0.3164 0.3745 0.4322 -0.0007 0.0243 0.0019 819 VAL A N \n932 C CA . VAL A 127 ? 0.2773 0.3416 0.4019 -0.0020 0.0239 0.0028 819 VAL A CA \n933 C C . VAL A 127 ? 0.2173 0.2877 0.3490 -0.0003 0.0235 0.0020 819 VAL A C \n934 O O . VAL A 127 ? 0.2825 0.3557 0.4190 -0.0008 0.0203 0.0016 819 VAL A O \n935 C CB . VAL A 127 ? 0.3231 0.3894 0.4498 -0.0039 0.0281 0.0049 819 VAL A CB \n936 C CG1 . VAL A 127 ? 0.3507 0.4240 0.4876 -0.0053 0.0271 0.0059 819 VAL A CG1 \n937 C CG2 . VAL A 127 ? 0.3588 0.4182 0.4779 -0.0064 0.0276 0.0060 819 VAL A CG2 \n938 N N . GLN A 128 ? 0.2513 0.3228 0.3831 0.0017 0.0268 0.0018 820 GLN A N \n939 C CA . GLN A 128 ? 0.2343 0.3107 0.3724 0.0036 0.0263 0.0011 820 GLN A CA \n940 C C . GLN A 128 ? 0.2965 0.3717 0.4333 0.0041 0.0219 -0.0003 820 GLN A C \n941 O O . GLN A 128 ? 0.2587 0.3376 0.4011 0.0040 0.0197 -0.0005 820 GLN A O \n942 C CB . GLN A 128 ? 0.3116 0.3877 0.4483 0.0063 0.0303 0.0008 820 GLN A CB \n943 C CG . GLN A 128 ? 0.3014 0.3815 0.4428 0.0061 0.0354 0.0022 820 GLN A CG \n944 C CD . GLN A 128 ? 0.4360 0.5151 0.5750 0.0092 0.0401 0.0016 820 GLN A CD \n945 O OE1 . GLN A 128 ? 0.4226 0.4990 0.5583 0.0119 0.0390 0.0001 820 GLN A OE1 \n946 N NE2 . GLN A 128 ? 0.4222 0.5032 0.5624 0.0089 0.0458 0.0027 820 GLN A NE2 \n947 N N . ILE A 129 ? 0.2745 0.3444 0.4037 0.0043 0.0208 -0.0012 821 ILE A N \n948 C CA . ILE A 129 ? 0.2781 0.3473 0.4062 0.0043 0.0171 -0.0025 821 ILE A CA \n949 C C . ILE A 129 ? 0.2023 0.2736 0.3339 0.0027 0.0142 -0.0027 821 ILE A C \n950 O O . ILE A 129 ? 0.2201 0.2936 0.3545 0.0026 0.0121 -0.0034 821 ILE A O \n951 C CB . ILE A 129 ? 0.3011 0.3648 0.4214 0.0047 0.0162 -0.0033 821 ILE A CB \n952 C CG1 . ILE A 129 ? 0.2612 0.3216 0.3769 0.0065 0.0184 -0.0033 821 ILE A CG1 \n953 C CG2 . ILE A 129 ? 0.2427 0.3072 0.3634 0.0041 0.0127 -0.0044 821 ILE A CG2 \n954 C CD1 . ILE A 129 ? 0.2546 0.3081 0.3614 0.0065 0.0177 -0.0036 821 ILE A CD1 \n955 N N . ALA A 130 ? 0.2263 0.2961 0.3571 0.0013 0.0141 -0.0020 822 ALA A N \n956 C CA . ALA A 130 ? 0.2648 0.3356 0.3983 0.0001 0.0114 -0.0023 822 ALA A CA \n957 C C . ALA A 130 ? 0.2176 0.2927 0.3577 -0.0005 0.0110 -0.0015 822 ALA A C \n958 O O . ALA A 130 ? 0.2110 0.2869 0.3528 -0.0010 0.0083 -0.0023 822 ALA A O \n959 C CB . ALA A 130 ? 0.3410 0.4080 0.4714 -0.0011 0.0108 -0.0016 822 ALA A CB \n960 N N . LYS A 131 ? 0.2165 0.2944 0.3604 -0.0005 0.0136 -0.0001 823 LYS A N \n961 C CA . LYS A 131 ? 0.2365 0.3187 0.3876 -0.0012 0.0124 0.0006 823 LYS A CA \n962 C C . LYS A 131 ? 0.2161 0.2993 0.3682 0.0000 0.0104 -0.0006 823 LYS A C \n963 O O . LYS A 131 ? 0.2511 0.3350 0.4057 -0.0009 0.0074 -0.0007 823 LYS A O \n964 C CB . LYS A 131 ? 0.2041 0.2903 0.3607 -0.0013 0.0159 0.0023 823 LYS A CB \n965 C CG . LYS A 131 ? 0.2813 0.3670 0.4377 -0.0035 0.0178 0.0041 823 LYS A CG \n966 C CD . LYS A 131 ? 0.3170 0.4080 0.4799 -0.0036 0.0221 0.0058 823 LYS A CD \n967 C CE . LYS A 131 ? 0.3869 0.4766 0.5481 -0.0065 0.0244 0.0077 823 LYS A CE \n968 N NZ . LYS A 131 ? 0.3992 0.4952 0.5680 -0.0073 0.0289 0.0096 823 LYS A NZ \n969 N N . GLY A 132 ? 0.2438 0.3263 0.3933 0.0018 0.0118 -0.0013 824 GLY A N \n970 C CA . GLY A 132 ? 0.2949 0.3773 0.4442 0.0027 0.0097 -0.0023 824 GLY A CA \n971 C C . GLY A 132 ? 0.2556 0.3358 0.4010 0.0017 0.0070 -0.0037 824 GLY A C \n972 O O . GLY A 132 ? 0.2320 0.3121 0.3780 0.0012 0.0045 -0.0042 824 GLY A O \n973 N N . MET A 133 ? 0.2756 0.3535 0.4168 0.0014 0.0074 -0.0044 825 MET A N \n974 C CA . MET A 133 ? 0.2415 0.3182 0.3800 0.0008 0.0054 -0.0058 825 MET A CA \n975 C C . MET A 133 ? 0.2200 0.2969 0.3609 -0.0002 0.0034 -0.0059 825 MET A C \n976 O O . MET A 133 ? 0.2570 0.3332 0.3967 -0.0006 0.0016 -0.0069 825 MET A O \n977 C CB . MET A 133 ? 0.2697 0.3444 0.4045 0.0011 0.0059 -0.0065 825 MET A CB \n978 C CG . MET A 133 ? 0.2882 0.3616 0.4196 0.0018 0.0070 -0.0066 825 MET A CG \n979 S SD . MET A 133 ? 0.2980 0.3717 0.4276 0.0016 0.0059 -0.0075 825 MET A SD \n980 C CE . MET A 133 ? 0.2782 0.3528 0.4072 0.0007 0.0047 -0.0091 825 MET A CE \n981 N N . ASN A 134 ? 0.2729 0.3501 0.4164 -0.0009 0.0036 -0.0046 826 ASN A N \n982 C CA . ASN A 134 ? 0.2637 0.3402 0.4089 -0.0022 0.0011 -0.0043 826 ASN A CA \n983 C C . ASN A 134 ? 0.2311 0.3089 0.3793 -0.0028 -0.0006 -0.0039 826 ASN A C \n984 O O . ASN A 134 ? 0.2049 0.2805 0.3518 -0.0036 -0.0033 -0.0046 826 ASN A O \n985 C CB . ASN A 134 ? 0.2552 0.3316 0.4025 -0.0035 0.0015 -0.0026 826 ASN A CB \n986 C CG . ASN A 134 ? 0.2872 0.3618 0.4355 -0.0050 -0.0016 -0.0023 826 ASN A CG \n987 O OD1 . ASN A 134 ? 0.2790 0.3502 0.4236 -0.0048 -0.0035 -0.0039 826 ASN A OD1 \n988 N ND2 . ASN A 134 ? 0.3161 0.3930 0.4697 -0.0067 -0.0022 -0.0003 826 ASN A ND2 \n989 N N . TYR A 135 ? 0.3105 0.3910 0.4622 -0.0022 0.0005 -0.0029 827 TYR A N \n990 C CA . TYR A 135 ? 0.3005 0.3817 0.4551 -0.0024 -0.0018 -0.0025 827 TYR A CA \n991 C C . TYR A 135 ? 0.3095 0.3877 0.4586 -0.0023 -0.0034 -0.0042 827 TYR A C \n992 O O . TYR A 135 ? 0.2580 0.3339 0.4059 -0.0033 -0.0064 -0.0045 827 TYR A O \n993 C CB . TYR A 135 ? 0.2700 0.3548 0.4300 -0.0012 -0.0002 -0.0013 827 TYR A CB \n994 C CG . TYR A 135 ? 0.2522 0.3374 0.4155 -0.0012 -0.0034 -0.0009 827 TYR A CG \n995 C CD1 . TYR A 135 ? 0.2716 0.3591 0.4421 -0.0025 -0.0058 0.0007 827 TYR A CD1 \n996 C CD2 . TYR A 135 ? 0.2559 0.3387 0.4152 -0.0003 -0.0044 -0.0020 827 TYR A CD2 \n997 C CE1 . TYR A 135 ? 0.2225 0.3097 0.3960 -0.0025 -0.0096 0.0010 827 TYR A CE1 \n998 C CE2 . TYR A 135 ? 0.2327 0.3144 0.3938 -0.0004 -0.0080 -0.0017 827 TYR A CE2 \n999 C CZ . TYR A 135 ? 0.2952 0.3792 0.4638 -0.0014 -0.0107 -0.0001 827 TYR A CZ \n1000 O OH . TYR A 135 ? 0.2765 0.3587 0.4465 -0.0015 -0.0149 0.0002 827 TYR A OH \n1001 N N . LEU A 136 ? 0.2850 0.3626 0.4299 -0.0013 -0.0014 -0.0054 828 LEU A N \n1002 C CA . LEU A 136 ? 0.3200 0.3949 0.4593 -0.0017 -0.0024 -0.0069 828 LEU A CA \n1003 C C . LEU A 136 ? 0.2565 0.3293 0.3928 -0.0026 -0.0035 -0.0082 828 LEU A C \n1004 O O . LEU A 136 ? 0.2420 0.3121 0.3745 -0.0035 -0.0050 -0.0091 828 LEU A O \n1005 C CB . LEU A 136 ? 0.2383 0.3133 0.3743 -0.0009 -0.0003 -0.0076 828 LEU A CB \n1006 C CG . LEU A 136 ? 0.2675 0.3429 0.4044 0.0001 0.0003 -0.0067 828 LEU A CG \n1007 C CD1 . LEU A 136 ? 0.3675 0.4418 0.5000 0.0006 0.0018 -0.0074 828 LEU A CD1 \n1008 C CD2 . LEU A 136 ? 0.3425 0.4162 0.4790 -0.0001 -0.0022 -0.0065 828 LEU A CD2 \n1009 N N . GLU A 137 ? 0.2623 0.3355 0.3995 -0.0023 -0.0028 -0.0084 829 GLU A N \n1010 C CA . GLU A 137 ? 0.2497 0.3204 0.3839 -0.0026 -0.0038 -0.0099 829 GLU A CA \n1011 C C . GLU A 137 ? 0.2903 0.3582 0.4246 -0.0038 -0.0070 -0.0093 829 GLU A C \n1012 O O . GLU A 137 ? 0.2719 0.3362 0.4016 -0.0043 -0.0083 -0.0107 829 GLU A O \n1013 C CB . GLU A 137 ? 0.2417 0.3127 0.3766 -0.0018 -0.0029 -0.0103 829 GLU A CB \n1014 C CG . GLU A 137 ? 0.3239 0.3920 0.4559 -0.0013 -0.0041 -0.0121 829 GLU A CG \n1015 C CD . GLU A 137 ? 0.3011 0.3689 0.4336 -0.0002 -0.0038 -0.0127 829 GLU A CD \n1016 O OE1 . GLU A 137 ? 0.3522 0.4214 0.4866 -0.0001 -0.0029 -0.0114 829 GLU A OE1 \n1017 O OE2 . GLU A 137 ? 0.2614 0.3266 0.3918 0.0006 -0.0049 -0.0144 829 GLU A OE2 \n1018 N N . ASP A 138 ? 0.2938 0.3631 0.4331 -0.0046 -0.0082 -0.0072 830 ASP A N \n1019 C CA . ASP A 138 ? 0.3482 0.4150 0.4885 -0.0061 -0.0120 -0.0063 830 ASP A CA \n1020 C C . ASP A 138 ? 0.3156 0.3800 0.4526 -0.0065 -0.0138 -0.0067 830 ASP A C \n1021 O O . ASP A 138 ? 0.3396 0.3992 0.4729 -0.0077 -0.0169 -0.0071 830 ASP A O \n1022 C CB . ASP A 138 ? 0.3161 0.3864 0.4643 -0.0069 -0.0127 -0.0037 830 ASP A CB \n1023 C CG . ASP A 138 ? 0.3517 0.4220 0.5013 -0.0076 -0.0123 -0.0029 830 ASP A CG \n1024 O OD1 . ASP A 138 ? 0.3534 0.4276 0.5086 -0.0080 -0.0106 -0.0011 830 ASP A OD1 \n1025 O OD2 . ASP A 138 ? 0.3670 0.4331 0.5118 -0.0077 -0.0135 -0.0042 830 ASP A OD2 \n1026 N N . ARG A 139 ? 0.2447 0.3112 0.3820 -0.0057 -0.0120 -0.0067 831 ARG A N \n1027 C CA . ARG A 139 ? 0.2861 0.3495 0.4191 -0.0063 -0.0137 -0.0072 831 ARG A CA \n1028 C C . ARG A 139 ? 0.3278 0.3880 0.4524 -0.0066 -0.0122 -0.0094 831 ARG A C \n1029 O O . ARG A 139 ? 0.3677 0.4246 0.4871 -0.0076 -0.0132 -0.0099 831 ARG A O \n1030 C CB . ARG A 139 ? 0.3281 0.3942 0.4641 -0.0053 -0.0129 -0.0063 831 ARG A CB \n1031 C CG . ARG A 139 ? 0.5493 0.6181 0.6935 -0.0049 -0.0150 -0.0043 831 ARG A CG \n1032 C CD . ARG A 139 ? 0.6223 0.6872 0.7664 -0.0066 -0.0200 -0.0036 831 ARG A CD \n1033 N NE . ARG A 139 ? 0.7011 0.7682 0.8531 -0.0064 -0.0231 -0.0017 831 ARG A NE \n1034 C CZ . ARG A 139 ? 0.6608 0.7280 0.8142 -0.0051 -0.0242 -0.0015 831 ARG A CZ \n1035 N NH1 . ARG A 139 ? 0.4717 0.5413 0.6335 -0.0046 -0.0273 0.0000 831 ARG A NH1 \n1036 N NH2 . ARG A 139 ? 0.8824 0.9473 1.0291 -0.0044 -0.0223 -0.0028 831 ARG A NH2 \n1037 N N . ARG A 140 ? 0.3438 0.4049 0.4673 -0.0059 -0.0099 -0.0108 832 ARG A N \n1038 C CA . ARG A 140 ? 0.2688 0.3284 0.3860 -0.0060 -0.0077 -0.0130 832 ARG A CA \n1039 C C . ARG A 140 ? 0.2808 0.3420 0.3960 -0.0063 -0.0057 -0.0132 832 ARG A C \n1040 O O . ARG A 140 ? 0.4504 0.5093 0.5596 -0.0075 -0.0049 -0.0143 832 ARG A O \n1041 C CB . ARG A 140 ? 0.2841 0.3375 0.3945 -0.0071 -0.0098 -0.0141 832 ARG A CB \n1042 C CG . ARG A 140 ? 0.4358 0.4866 0.5476 -0.0069 -0.0124 -0.0139 832 ARG A CG \n1043 C CD . ARG A 140 ? 0.5166 0.5598 0.6205 -0.0080 -0.0149 -0.0150 832 ARG A CD \n1044 N NE . ARG A 140 ? 0.5085 0.5499 0.6058 -0.0072 -0.0117 -0.0178 832 ARG A NE \n1045 C CZ . ARG A 140 ? 0.7086 0.7431 0.7968 -0.0081 -0.0123 -0.0193 832 ARG A CZ \n1046 N NH1 . ARG A 140 ? 0.7962 0.8305 0.8795 -0.0070 -0.0083 -0.0220 832 ARG A NH1 \n1047 N NH2 . ARG A 140 ? 0.6245 0.6521 0.7082 -0.0099 -0.0168 -0.0182 832 ARG A NH2 \n1048 N N . LEU A 141 ? 0.2907 0.3555 0.4103 -0.0055 -0.0048 -0.0120 833 LEU A N \n1049 C CA . LEU A 141 ? 0.3721 0.4378 0.4899 -0.0058 -0.0034 -0.0119 833 LEU A CA \n1050 C C . LEU A 141 ? 0.3766 0.4462 0.4969 -0.0047 -0.0007 -0.0122 833 LEU A C \n1051 O O . LEU A 141 ? 0.3213 0.3928 0.4457 -0.0034 -0.0004 -0.0112 833 LEU A O \n1052 C CB . LEU A 141 ? 0.3742 0.4393 0.4941 -0.0055 -0.0054 -0.0102 833 LEU A CB \n1053 C CG . LEU A 141 ? 0.4258 0.4891 0.5419 -0.0061 -0.0056 -0.0099 833 LEU A CG \n1054 C CD1 . LEU A 141 ? 0.5465 0.6095 0.6662 -0.0049 -0.0076 -0.0085 833 LEU A CD1 \n1055 C CD2 . LEU A 141 ? 0.6011 0.6667 0.7163 -0.0060 -0.0028 -0.0103 833 LEU A CD2 \n1056 N N . VAL A 142 ? 0.2756 0.3463 0.3933 -0.0052 0.0011 -0.0136 834 VAL A N \n1057 C CA . VAL A 142 ? 0.2583 0.3323 0.3784 -0.0044 0.0029 -0.0139 834 VAL A CA \n1058 C C . VAL A 142 ? 0.2312 0.3049 0.3502 -0.0050 0.0028 -0.0126 834 VAL A C \n1059 O O . VAL A 142 ? 0.2926 0.3642 0.4076 -0.0066 0.0022 -0.0124 834 VAL A O \n1060 C CB . VAL A 142 ? 0.2625 0.3387 0.3815 -0.0049 0.0049 -0.0157 834 VAL A CB \n1061 C CG1 . VAL A 142 ? 0.2351 0.3148 0.3580 -0.0039 0.0059 -0.0158 834 VAL A CG1 \n1062 C CG2 . VAL A 142 ? 0.2941 0.3690 0.4126 -0.0041 0.0049 -0.0172 834 VAL A CG2 \n1063 N N . HIS A 143 ? 0.2424 0.3173 0.3641 -0.0037 0.0031 -0.0119 835 HIS A N \n1064 C CA . HIS A 143 ? 0.2303 0.3038 0.3504 -0.0037 0.0029 -0.0108 835 HIS A CA \n1065 C C . HIS A 143 ? 0.2785 0.3524 0.3958 -0.0054 0.0033 -0.0111 835 HIS A C \n1066 O O . HIS A 143 ? 0.2772 0.3489 0.3905 -0.0070 0.0026 -0.0107 835 HIS A O \n1067 C CB . HIS A 143 ? 0.2254 0.2991 0.3477 -0.0020 0.0035 -0.0101 835 HIS A CB \n1068 C CG . HIS A 143 ? 0.2639 0.3350 0.3840 -0.0013 0.0033 -0.0090 835 HIS A CG \n1069 N ND1 . HIS A 143 ? 0.2639 0.3331 0.3801 -0.0022 0.0028 -0.0089 835 HIS A ND1 \n1070 C CD2 . HIS A 143 ? 0.3124 0.3823 0.4335 0.0003 0.0037 -0.0082 835 HIS A CD2 \n1071 C CE1 . HIS A 143 ? 0.2792 0.3452 0.3931 -0.0010 0.0026 -0.0081 835 HIS A CE1 \n1072 N NE2 . HIS A 143 ? 0.2829 0.3498 0.4002 0.0008 0.0035 -0.0078 835 HIS A NE2 \n1073 N N . ARG A 144 ? 0.2578 0.3346 0.3775 -0.0053 0.0043 -0.0119 836 ARG A N \n1074 C CA . ARG A 144 ? 0.2466 0.3254 0.3657 -0.0070 0.0048 -0.0121 836 ARG A CA \n1075 C C . ARG A 144 ? 0.3245 0.4013 0.4417 -0.0075 0.0037 -0.0108 836 ARG A C \n1076 O O . ARG A 144 ? 0.3320 0.4106 0.4494 -0.0093 0.0036 -0.0108 836 ARG A O \n1077 C CB . ARG A 144 ? 0.3143 0.3933 0.4301 -0.0095 0.0055 -0.0126 836 ARG A CB \n1078 C CG . ARG A 144 ? 0.3063 0.3864 0.4226 -0.0093 0.0068 -0.0141 836 ARG A CG \n1079 C CD . ARG A 144 ? 0.3889 0.4679 0.5002 -0.0120 0.0077 -0.0144 836 ARG A CD \n1080 N NE . ARG A 144 ? 0.3925 0.4712 0.5027 -0.0116 0.0089 -0.0160 836 ARG A NE \n1081 C CZ . ARG A 144 ? 0.4796 0.5540 0.5869 -0.0112 0.0073 -0.0159 836 ARG A CZ \n1082 N NH1 . ARG A 144 ? 0.4962 0.5672 0.6027 -0.0109 0.0047 -0.0144 836 ARG A NH1 \n1083 N NH2 . ARG A 144 ? 0.5225 0.5957 0.6277 -0.0110 0.0083 -0.0175 836 ARG A NH2 \n1084 N N . ASP A 145 ? 0.2918 0.3649 0.4072 -0.0060 0.0028 -0.0099 837 ASP A N \n1085 C CA . ASP A 145 ? 0.3226 0.3922 0.4347 -0.0061 0.0017 -0.0089 837 ASP A CA \n1086 C C . ASP A 145 ? 0.2545 0.3213 0.3662 -0.0036 0.0019 -0.0083 837 ASP A C \n1087 O O . ASP A 145 ? 0.2949 0.3572 0.4025 -0.0028 0.0014 -0.0076 837 ASP A O \n1088 C CB . ASP A 145 ? 0.3879 0.4540 0.4949 -0.0078 0.0005 -0.0082 837 ASP A CB \n1089 C CG . ASP A 145 ? 0.4482 0.5099 0.5507 -0.0084 -0.0011 -0.0072 837 ASP A CG \n1090 O OD1 . ASP A 145 ? 0.4477 0.5045 0.5450 -0.0087 -0.0024 -0.0066 837 ASP A OD1 \n1091 O OD2 . ASP A 145 ? 0.4400 0.5023 0.5435 -0.0087 -0.0015 -0.0070 837 ASP A OD2 \n1092 N N . LEU A 146 ? 0.2286 0.2974 0.3440 -0.0023 0.0028 -0.0087 838 LEU A N \n1093 C CA . LEU A 146 ? 0.2692 0.3353 0.3837 -0.0004 0.0034 -0.0081 838 LEU A CA \n1094 C C . LEU A 146 ? 0.3420 0.4044 0.4528 -0.0006 0.0024 -0.0076 838 LEU A C \n1095 O O . LEU A 146 ? 0.2428 0.3066 0.3549 -0.0017 0.0011 -0.0079 838 LEU A O \n1096 C CB . LEU A 146 ? 0.2292 0.2976 0.3477 0.0004 0.0043 -0.0084 838 LEU A CB \n1097 C CG . LEU A 146 ? 0.2123 0.2779 0.3295 0.0018 0.0055 -0.0075 838 LEU A CG \n1098 C CD1 . LEU A 146 ? 0.2430 0.3078 0.3599 0.0029 0.0070 -0.0069 838 LEU A CD1 \n1099 C CD2 . LEU A 146 ? 0.2684 0.3358 0.3892 0.0019 0.0058 -0.0077 838 LEU A CD2 \n1100 N N . ALA A 147 ? 0.2679 0.3253 0.3740 0.0005 0.0029 -0.0069 839 ALA A N \n1101 C CA . ALA A 147 ? 0.2880 0.3398 0.3884 0.0005 0.0017 -0.0063 839 ALA A CA \n1102 C C . ALA A 147 ? 0.2938 0.3407 0.3896 0.0026 0.0036 -0.0059 839 ALA A C \n1103 O O . ALA A 147 ? 0.3003 0.3488 0.3980 0.0039 0.0053 -0.0061 839 ALA A O \n1104 C CB . ALA A 147 ? 0.2913 0.3414 0.3888 -0.0014 -0.0006 -0.0061 839 ALA A CB \n1105 N N . ALA A 148 ? 0.2782 0.3191 0.3681 0.0031 0.0035 -0.0055 840 ALA A N \n1106 C CA . ALA A 148 ? 0.3170 0.3526 0.4015 0.0053 0.0060 -0.0053 840 ALA A CA \n1107 C C . ALA A 148 ? 0.3748 0.4080 0.4564 0.0065 0.0060 -0.0056 840 ALA A C \n1108 O O . ALA A 148 ? 0.2922 0.3251 0.3738 0.0090 0.0088 -0.0058 840 ALA A O \n1109 C CB . ALA A 148 ? 0.3648 0.3926 0.4413 0.0053 0.0054 -0.0048 840 ALA A CB \n1110 N N . ARG A 149 ? 0.2988 0.3306 0.3783 0.0048 0.0028 -0.0055 841 ARG A N \n1111 C CA . ARG A 149 ? 0.3912 0.4204 0.4679 0.0056 0.0020 -0.0057 841 ARG A CA \n1112 C C . ARG A 149 ? 0.3389 0.3737 0.4220 0.0067 0.0033 -0.0062 841 ARG A C \n1113 O O . ARG A 149 ? 0.3461 0.3780 0.4270 0.0086 0.0033 -0.0065 841 ARG A O \n1114 C CB . ARG A 149 ? 0.3254 0.3523 0.3989 0.0026 -0.0018 -0.0052 841 ARG A CB \n1115 C CG . ARG A 149 ? 0.3017 0.3362 0.3821 0.0000 -0.0028 -0.0053 841 ARG A CG \n1116 C CD . ARG A 149 ? 0.3369 0.3701 0.4149 -0.0035 -0.0061 -0.0045 841 ARG A CD \n1117 N NE . ARG A 149 ? 0.3541 0.3954 0.4393 -0.0058 -0.0058 -0.0048 841 ARG A NE \n1118 C CZ . ARG A 149 ? 0.4556 0.5014 0.5456 -0.0069 -0.0060 -0.0048 841 ARG A CZ \n1119 N NH1 . ARG A 149 ? 0.3996 0.4418 0.4875 -0.0064 -0.0071 -0.0044 841 ARG A NH1 \n1120 N NH2 . ARG A 149 ? 0.3827 0.4359 0.4793 -0.0084 -0.0051 -0.0054 841 ARG A NH2 \n1121 N N . ASN A 150 ? 0.2986 0.3407 0.3894 0.0056 0.0041 -0.0062 842 ASN A N \n1122 C CA . ASN A 150 ? 0.3323 0.3794 0.4292 0.0061 0.0046 -0.0065 842 ASN A CA \n1123 C C . ASN A 150 ? 0.2613 0.3121 0.3636 0.0081 0.0076 -0.0065 842 ASN A C \n1124 O O . ASN A 150 ? 0.2997 0.3555 0.4083 0.0079 0.0077 -0.0065 842 ASN A O \n1125 C CB . ASN A 150 ? 0.3173 0.3690 0.4177 0.0033 0.0030 -0.0067 842 ASN A CB \n1126 C CG . ASN A 150 ? 0.4294 0.4782 0.5252 0.0011 0.0004 -0.0065 842 ASN A CG \n1127 O OD1 . ASN A 150 ? 0.3412 0.3850 0.4324 0.0020 -0.0007 -0.0064 842 ASN A OD1 \n1128 N ND2 . ASN A 150 ? 0.3278 0.3796 0.4250 -0.0017 -0.0004 -0.0066 842 ASN A ND2 \n1129 N N . VAL A 151 ? 0.2519 0.2996 0.3511 0.0097 0.0099 -0.0063 843 VAL A N \n1130 C CA . VAL A 151 ? 0.3401 0.3906 0.4435 0.0116 0.0135 -0.0060 843 VAL A CA \n1131 C C . VAL A 151 ? 0.3500 0.3961 0.4494 0.0148 0.0154 -0.0064 843 VAL A C \n1132 O O . VAL A 151 ? 0.3605 0.3996 0.4514 0.0154 0.0152 -0.0066 843 VAL A O \n1133 C CB . VAL A 151 ? 0.3035 0.3535 0.4057 0.0107 0.0152 -0.0055 843 VAL A CB \n1134 C CG1 . VAL A 151 ? 0.2925 0.3456 0.3991 0.0120 0.0192 -0.0050 843 VAL A CG1 \n1135 C CG2 . VAL A 151 ? 0.2531 0.3066 0.3588 0.0080 0.0128 -0.0055 843 VAL A CG2 \n1136 N N . LEU A 152 ? 0.3408 0.3908 0.4464 0.0170 0.0170 -0.0065 844 LEU A N \n1137 C CA . LEU A 152 ? 0.3145 0.3611 0.4176 0.0208 0.0189 -0.0072 844 LEU A CA \n1138 C C . LEU A 152 ? 0.3522 0.4021 0.4594 0.0230 0.0242 -0.0070 844 LEU A C \n1139 O O . LEU A 152 ? 0.3217 0.3784 0.4370 0.0217 0.0255 -0.0062 844 LEU A O \n1140 C CB . LEU A 152 ? 0.3413 0.3893 0.4485 0.0221 0.0160 -0.0077 844 LEU A CB \n1141 C CG . LEU A 152 ? 0.3468 0.3911 0.4492 0.0196 0.0110 -0.0077 844 LEU A CG \n1142 C CD1 . LEU A 152 ? 0.3691 0.4127 0.4733 0.0208 0.0079 -0.0081 844 LEU A CD1 \n1143 C CD2 . LEU A 152 ? 0.4076 0.4436 0.4991 0.0191 0.0101 -0.0079 844 LEU A CD2 \n1144 N N . VAL A 153 ? 0.3750 0.4196 0.4762 0.0261 0.0272 -0.0078 845 VAL A N \n1145 C CA . VAL A 153 ? 0.4231 0.4704 0.5273 0.0284 0.0332 -0.0078 845 VAL A CA \n1146 C C . VAL A 153 ? 0.4480 0.5015 0.5621 0.0320 0.0348 -0.0083 845 VAL A C \n1147 O O . VAL A 153 ? 0.4598 0.5093 0.5712 0.0355 0.0340 -0.0095 845 VAL A O \n1148 C CB . VAL A 153 ? 0.4368 0.4746 0.5284 0.0301 0.0362 -0.0085 845 VAL A CB \n1149 C CG1 . VAL A 153 ? 0.3912 0.4315 0.4848 0.0323 0.0433 -0.0085 845 VAL A CG1 \n1150 C CG2 . VAL A 153 ? 0.3953 0.4271 0.4781 0.0264 0.0337 -0.0077 845 VAL A CG2 \n1151 N N . LYS A 154 ? 0.3941 0.4571 0.5201 0.0311 0.0365 -0.0073 846 LYS A N \n1152 C CA . LYS A 154 ? 0.4828 0.5529 0.6200 0.0345 0.0386 -0.0075 846 LYS A CA \n1153 C C . LYS A 154 ? 0.4150 0.4851 0.5509 0.0375 0.0460 -0.0080 846 LYS A C \n1154 O O . LYS A 154 ? 0.4911 0.5598 0.6270 0.0422 0.0480 -0.0095 846 LYS A O \n1155 C CB . LYS A 154 ? 0.3972 0.4772 0.5476 0.0320 0.0372 -0.0060 846 LYS A CB \n1156 C CG . LYS A 154 ? 0.5679 0.6557 0.7315 0.0353 0.0380 -0.0061 846 LYS A CG \n1157 C CD . LYS A 154 ? 0.6311 0.7286 0.8073 0.0323 0.0381 -0.0042 846 LYS A CD \n1158 C CE . LYS A 154 ? 0.8648 0.9683 1.0532 0.0337 0.0340 -0.0040 846 LYS A CE \n1159 N NZ . LYS A 154 ? 0.6703 0.7794 0.8681 0.0386 0.0380 -0.0046 846 LYS A NZ \n1160 N N . THR A 155 ? 0.3995 0.4706 0.5335 0.0348 0.0499 -0.0068 847 THR A N \n1161 C CA . THR A 155 ? 0.4406 0.5088 0.5687 0.0366 0.0571 -0.0072 847 THR A CA \n1162 C C . THR A 155 ? 0.5646 0.6256 0.6811 0.0326 0.0570 -0.0064 847 THR A C \n1163 O O . THR A 155 ? 0.5342 0.5963 0.6518 0.0287 0.0525 -0.0053 847 THR A O \n1164 C CB . THR A 155 ? 0.4591 0.5379 0.5997 0.0372 0.0634 -0.0063 847 THR A CB \n1165 O OG1 . THR A 155 ? 0.4338 0.5175 0.5788 0.0320 0.0631 -0.0041 847 THR A OG1 \n1166 C CG2 . THR A 155 ? 0.5178 0.6057 0.6732 0.0406 0.0622 -0.0068 847 THR A CG2 \n1167 N N . PRO A 156 ? 0.5518 0.6051 0.6568 0.0338 0.0617 -0.0069 848 PRO A N \n1168 C CA . PRO A 156 ? 0.5172 0.5631 0.6111 0.0299 0.0613 -0.0059 848 PRO A CA \n1169 C C . PRO A 156 ? 0.5173 0.5702 0.6187 0.0253 0.0609 -0.0039 848 PRO A C \n1170 O O . PRO A 156 ? 0.5339 0.5819 0.6290 0.0218 0.0575 -0.0031 848 PRO A O \n1171 C CB . PRO A 156 ? 0.5562 0.5957 0.6402 0.0320 0.0684 -0.0066 848 PRO A CB \n1172 C CG . PRO A 156 ? 0.6456 0.6839 0.7296 0.0377 0.0702 -0.0087 848 PRO A CG \n1173 C CD . PRO A 156 ? 0.6294 0.6780 0.7288 0.0389 0.0666 -0.0088 848 PRO A CD \n1174 N N . GLN A 157 ? 0.4885 0.5522 0.6033 0.0253 0.0640 -0.0030 849 GLN A N \n1175 C CA . GLN A 157 ? 0.4706 0.5402 0.5921 0.0207 0.0632 -0.0009 849 GLN A CA \n1176 C C . GLN A 157 ? 0.4699 0.5470 0.6032 0.0194 0.0572 -0.0004 849 GLN A C \n1177 O O . GLN A 157 ? 0.5003 0.5829 0.6406 0.0160 0.0563 0.0012 849 GLN A O \n1178 C CB . GLN A 157 ? 0.6706 0.7463 0.7977 0.0200 0.0707 0.0004 849 GLN A CB \n1179 C CG . GLN A 157 ? 0.7676 0.8513 0.9050 0.0242 0.0758 -0.0003 849 GLN A CG \n1180 C CD . GLN A 157 ? 0.7219 0.7984 0.8491 0.0288 0.0809 -0.0023 849 GLN A CD \n1181 O OE1 . GLN A 157 ? 0.7378 0.8149 0.8677 0.0335 0.0804 -0.0042 849 GLN A OE1 \n1182 N NE2 . GLN A 157 ? 0.7377 0.8063 0.8521 0.0274 0.0855 -0.0020 849 GLN A NE2 \n1183 N N . HIS A 158 ? 0.4787 0.5549 0.6128 0.0218 0.0529 -0.0018 850 HIS A N \n1184 C CA . HIS A 158 ? 0.3820 0.4638 0.5254 0.0208 0.0472 -0.0015 850 HIS A CA \n1185 C C . HIS A 158 ? 0.3816 0.4571 0.5181 0.0215 0.0417 -0.0029 850 HIS A C \n1186 O O . HIS A 158 ? 0.4160 0.4887 0.5502 0.0249 0.0414 -0.0043 850 HIS A O \n1187 C CB . HIS A 158 ? 0.5193 0.6100 0.6759 0.0233 0.0486 -0.0014 850 HIS A CB \n1188 C CG . HIS A 158 ? 0.6223 0.7185 0.7886 0.0217 0.0430 -0.0008 850 HIS A CG \n1189 N ND1 . HIS A 158 ? 0.7603 0.8659 0.9405 0.0217 0.0435 0.0003 850 HIS A ND1 \n1190 C CD2 . HIS A 158 ? 0.5044 0.5978 0.6681 0.0200 0.0368 -0.0011 850 HIS A CD2 \n1191 C CE1 . HIS A 158 ? 0.6793 0.7865 0.8640 0.0201 0.0374 0.0006 850 HIS A CE1 \n1192 N NE2 . HIS A 158 ? 0.5429 0.6428 0.7175 0.0191 0.0336 -0.0003 850 HIS A NE2 \n1193 N N . VAL A 159 ? 0.3189 0.3921 0.4522 0.0183 0.0373 -0.0026 851 VAL A N \n1194 C CA . VAL A 159 ? 0.2849 0.3532 0.4125 0.0183 0.0323 -0.0037 851 VAL A CA \n1195 C C . VAL A 159 ? 0.3025 0.3753 0.4369 0.0164 0.0276 -0.0034 851 VAL A C \n1196 O O . VAL A 159 ? 0.3993 0.4774 0.5408 0.0145 0.0274 -0.0024 851 VAL A O \n1197 C CB . VAL A 159 ? 0.2840 0.3445 0.4004 0.0166 0.0311 -0.0038 851 VAL A CB \n1198 C CG1 . VAL A 159 ? 0.3096 0.3638 0.4174 0.0184 0.0353 -0.0041 851 VAL A CG1 \n1199 C CG2 . VAL A 159 ? 0.3150 0.3771 0.4328 0.0132 0.0301 -0.0028 851 VAL A CG2 \n1200 N N . LYS A 160 ? 0.2576 0.3277 0.3893 0.0169 0.0238 -0.0043 852 LYS A N \n1201 C CA . LYS A 160 ? 0.3099 0.3830 0.4465 0.0153 0.0195 -0.0043 852 LYS A CA \n1202 C C . LYS A 160 ? 0.3318 0.4003 0.4614 0.0136 0.0160 -0.0050 852 LYS A C \n1203 O O . LYS A 160 ? 0.3538 0.4169 0.4761 0.0146 0.0157 -0.0056 852 LYS A O \n1204 C CB . LYS A 160 ? 0.3028 0.3780 0.4449 0.0178 0.0184 -0.0046 852 LYS A CB \n1205 C CG . LYS A 160 ? 0.3747 0.4558 0.5258 0.0199 0.0219 -0.0039 852 LYS A CG \n1206 C CD . LYS A 160 ? 0.4201 0.5032 0.5773 0.0226 0.0199 -0.0044 852 LYS A CD \n1207 C CE . LYS A 160 ? 0.4913 0.5779 0.6553 0.0205 0.0152 -0.0036 852 LYS A CE \n1208 N NZ . LYS A 160 ? 0.5999 0.6891 0.7716 0.0232 0.0131 -0.0037 852 LYS A NZ \n1209 N N . ILE A 161 ? 0.2815 0.3522 0.4134 0.0112 0.0132 -0.0049 853 ILE A N \n1210 C CA . ILE A 161 ? 0.3166 0.3845 0.4432 0.0093 0.0104 -0.0056 853 ILE A CA \n1211 C C . ILE A 161 ? 0.3359 0.4024 0.4618 0.0093 0.0075 -0.0060 853 ILE A C \n1212 O O . ILE A 161 ? 0.3347 0.4037 0.4659 0.0100 0.0064 -0.0057 853 ILE A O \n1213 C CB . ILE A 161 ? 0.2598 0.3303 0.3886 0.0068 0.0093 -0.0056 853 ILE A CB \n1214 C CG1 . ILE A 161 ? 0.2723 0.3431 0.4012 0.0066 0.0115 -0.0051 853 ILE A CG1 \n1215 C CG2 . ILE A 161 ? 0.3457 0.4144 0.4703 0.0050 0.0071 -0.0064 853 ILE A CG2 \n1216 C CD1 . ILE A 161 ? 0.3945 0.4682 0.5275 0.0049 0.0106 -0.0049 853 ILE A CD1 \n1217 N N . THR A 162 ? 0.2592 0.3215 0.3785 0.0085 0.0059 -0.0064 854 THR A N \n1218 C CA . THR A 162 ? 0.2861 0.3459 0.4029 0.0078 0.0029 -0.0067 854 THR A CA \n1219 C C . THR A 162 ? 0.2984 0.3569 0.4106 0.0046 0.0013 -0.0069 854 THR A C \n1220 O O . THR A 162 ? 0.3447 0.4046 0.4566 0.0035 0.0024 -0.0070 854 THR A O \n1221 C CB . THR A 162 ? 0.2564 0.3112 0.3691 0.0103 0.0025 -0.0068 854 THR A CB \n1222 O OG1 . THR A 162 ? 0.2685 0.3207 0.3796 0.0098 -0.0009 -0.0069 854 THR A OG1 \n1223 C CG2 . THR A 162 ? 0.3036 0.3532 0.4084 0.0099 0.0027 -0.0070 854 THR A CG2 \n1224 N N . ASP A 163 ? 0.2771 0.3330 0.3861 0.0031 -0.0013 -0.0070 855 ASP A N \n1225 C CA . ASP A 163 ? 0.3725 0.4269 0.4764 -0.0001 -0.0025 -0.0071 855 ASP A CA \n1226 C C . ASP A 163 ? 0.2956 0.3544 0.4023 -0.0023 -0.0017 -0.0076 855 ASP A C \n1227 O O . ASP A 163 ? 0.4732 0.5325 0.5774 -0.0047 -0.0016 -0.0078 855 ASP A O \n1228 C CB . ASP A 163 ? 0.3851 0.4371 0.4849 -0.0004 -0.0020 -0.0069 855 ASP A CB \n1229 C CG . ASP A 163 ? 0.5026 0.5505 0.5959 -0.0032 -0.0042 -0.0066 855 ASP A CG \n1230 O OD1 . ASP A 163 ? 0.4714 0.5158 0.5615 -0.0038 -0.0064 -0.0064 855 ASP A OD1 \n1231 O OD2 . ASP A 163 ? 0.4940 0.5419 0.5854 -0.0050 -0.0042 -0.0063 855 ASP A OD2 \n1232 N N . PHE A 164 ? 0.3455 0.4071 0.4571 -0.0013 -0.0013 -0.0077 856 PHE A N \n1233 C CA . PHE A 164 ? 0.2923 0.3570 0.4059 -0.0028 -0.0007 -0.0084 856 PHE A CA \n1234 C C . PHE A 164 ? 0.4270 0.4895 0.5366 -0.0052 -0.0024 -0.0087 856 PHE A C \n1235 O O . PHE A 164 ? 0.3875 0.4466 0.4953 -0.0052 -0.0047 -0.0082 856 PHE A O \n1236 C CB . PHE A 164 ? 0.3394 0.4067 0.4588 -0.0013 -0.0003 -0.0082 856 PHE A CB \n1237 C CG . PHE A 164 ? 0.4110 0.4775 0.5332 0.0000 -0.0018 -0.0074 856 PHE A CG \n1238 C CD1 . PHE A 164 ? 0.4347 0.5018 0.5598 0.0025 -0.0007 -0.0068 856 PHE A CD1 \n1239 C CD2 . PHE A 164 ? 0.3824 0.4474 0.5044 -0.0009 -0.0044 -0.0074 856 PHE A CD2 \n1240 C CE1 . PHE A 164 ? 0.3572 0.4246 0.4864 0.0041 -0.0019 -0.0062 856 PHE A CE1 \n1241 C CE2 . PHE A 164 ? 0.4610 0.5256 0.5868 0.0004 -0.0064 -0.0066 856 PHE A CE2 \n1242 C CZ . PHE A 164 ? 0.3281 0.3944 0.4581 0.0031 -0.0051 -0.0061 856 PHE A CZ \n1243 N N . GLY A 165 ? 0.3466 0.4107 0.4547 -0.0073 -0.0012 -0.0095 857 GLY A N \n1244 C CA . GLY A 165 ? 0.3407 0.4025 0.4441 -0.0098 -0.0020 -0.0099 857 GLY A CA \n1245 C C . GLY A 165 ? 0.3942 0.4527 0.4913 -0.0124 -0.0028 -0.0095 857 GLY A C \n1246 O O . GLY A 165 ? 0.4113 0.4668 0.5031 -0.0149 -0.0034 -0.0096 857 GLY A O \n1247 N N . LEU A 166 ? 0.4096 0.4675 0.5061 -0.0121 -0.0030 -0.0088 858 LEU A N \n1248 C CA . LEU A 166 ? 0.3812 0.4352 0.4713 -0.0148 -0.0043 -0.0081 858 LEU A CA \n1249 C C . LEU A 166 ? 0.4139 0.4714 0.5031 -0.0180 -0.0019 -0.0085 858 LEU A C \n1250 O O . LEU A 166 ? 0.4059 0.4608 0.4894 -0.0215 -0.0022 -0.0081 858 LEU A O \n1251 C CB . LEU A 166 ? 0.4737 0.5250 0.5629 -0.0133 -0.0056 -0.0072 858 LEU A CB \n1252 C CG . LEU A 166 ? 0.5130 0.5574 0.5949 -0.0149 -0.0085 -0.0063 858 LEU A CG \n1253 C CD1 . LEU A 166 ? 0.5555 0.5952 0.6346 -0.0145 -0.0113 -0.0061 858 LEU A CD1 \n1254 C CD2 . LEU A 166 ? 0.4102 0.4521 0.4917 -0.0124 -0.0094 -0.0058 858 LEU A CD2 \n1255 N N . ALA A 167 ? 0.3981 0.4613 0.4931 -0.0169 0.0003 -0.0091 859 ALA A N \n1256 C CA . ALA A 167 ? 0.4244 0.4923 0.5207 -0.0193 0.0027 -0.0097 859 ALA A CA \n1257 C C . ALA A 167 ? 0.4541 0.5224 0.5478 -0.0211 0.0045 -0.0107 859 ALA A C \n1258 O O . ALA A 167 ? 0.4212 0.4910 0.5125 -0.0244 0.0063 -0.0108 859 ALA A O \n1259 C CB . ALA A 167 ? 0.3835 0.4571 0.4870 -0.0172 0.0042 -0.0104 859 ALA A CB \n1260 N N . LYS A 168 ? 0.3944 0.4610 0.4883 -0.0191 0.0040 -0.0115 860 LYS A N \n1261 C CA . LYS A 168 ? 0.4631 0.5280 0.5527 -0.0207 0.0051 -0.0125 860 LYS A CA \n1262 C C . LYS A 168 ? 0.4276 0.4859 0.5084 -0.0240 0.0032 -0.0114 860 LYS A C \n1263 O O . LYS A 168 ? 0.5035 0.5608 0.5790 -0.0272 0.0051 -0.0118 860 LYS A O \n1264 C CB . LYS A 168 ? 0.5459 0.6094 0.6373 -0.0180 0.0041 -0.0132 860 LYS A CB \n1265 C CG . LYS A 168 ? 0.6211 0.6798 0.7055 -0.0198 0.0039 -0.0140 860 LYS A CG \n1266 C CD . LYS A 168 ? 0.6370 0.6961 0.7238 -0.0176 0.0042 -0.0153 860 LYS A CD \n1267 C CE . LYS A 168 ? 0.7906 0.8452 0.8695 -0.0195 0.0052 -0.0165 860 LYS A CE \n1268 N NZ . LYS A 168 ? 0.8792 0.9347 0.9600 -0.0173 0.0064 -0.0183 860 LYS A NZ \n1269 N N . LEU A 169 ? 0.4018 0.4553 0.4810 -0.0231 -0.0004 -0.0102 861 LEU A N \n1270 C CA . LEU A 169 ? 0.4997 0.5455 0.5702 -0.0258 -0.0033 -0.0092 861 LEU A CA \n1271 C C . LEU A 169 ? 0.5116 0.5569 0.5769 -0.0301 -0.0020 -0.0084 861 LEU A C \n1272 O O . LEU A 169 ? 0.5070 0.5471 0.5639 -0.0338 -0.0026 -0.0080 861 LEU A O \n1273 C CB . LEU A 169 ? 0.5362 0.5777 0.6073 -0.0234 -0.0075 -0.0081 861 LEU A CB \n1274 C CG . LEU A 169 ? 0.7381 0.7708 0.8009 -0.0253 -0.0117 -0.0070 861 LEU A CG \n1275 C CD1 . LEU A 169 ? 0.9177 0.9452 0.9743 -0.0274 -0.0130 -0.0073 861 LEU A CD1 \n1276 C CD2 . LEU A 169 ? 0.5587 0.5890 0.6249 -0.0215 -0.0151 -0.0064 861 LEU A CD2 \n1277 N N . LEU A 170 ? 0.5120 0.5625 0.5823 -0.0299 -0.0005 -0.0081 862 LEU A N \n1278 C CA . LEU A 170 ? 0.5600 0.6107 0.6268 -0.0341 0.0000 -0.0070 862 LEU A CA \n1279 C C . LEU A 170 ? 0.5690 0.6265 0.6378 -0.0368 0.0048 -0.0079 862 LEU A C \n1280 O O . LEU A 170 ? 0.5828 0.6420 0.6501 -0.0408 0.0059 -0.0069 862 LEU A O \n1281 C CB . LEU A 170 ? 0.5311 0.5827 0.6014 -0.0327 -0.0016 -0.0060 862 LEU A CB \n1282 C CG . LEU A 170 ? 0.5454 0.5893 0.6117 -0.0309 -0.0062 -0.0050 862 LEU A CG \n1283 C CD1 . LEU A 170 ? 0.5737 0.6185 0.6432 -0.0291 -0.0070 -0.0044 862 LEU A CD1 \n1284 C CD2 . LEU A 170 ? 0.5706 0.6061 0.6267 -0.0348 -0.0091 -0.0037 862 LEU A CD2 \n1285 N N . GLY A 171 ? 0.5806 0.6421 0.6532 -0.0347 0.0077 -0.0097 863 GLY A N \n1286 C CA . GLY A 171 ? 0.5244 0.5922 0.5990 -0.0365 0.0127 -0.0110 863 GLY A CA \n1287 C C . GLY A 171 ? 0.4499 0.5273 0.5347 -0.0354 0.0152 -0.0115 863 GLY A C \n1288 O O . GLY A 171 ? 0.5782 0.6617 0.6654 -0.0377 0.0192 -0.0121 863 GLY A O \n1289 N N . ALA A 172 ? 0.4607 0.5396 0.5517 -0.0318 0.0129 -0.0113 864 ALA A N \n1290 C CA . ALA A 172 ? 0.4768 0.5635 0.5771 -0.0306 0.0140 -0.0116 864 ALA A CA \n1291 C C . ALA A 172 ? 0.4245 0.5179 0.5314 -0.0280 0.0177 -0.0139 864 ALA A C \n1292 O O . ALA A 172 ? 0.4703 0.5705 0.5856 -0.0268 0.0185 -0.0144 864 ALA A O \n1293 C CB . ALA A 172 ? 0.4623 0.5470 0.5654 -0.0278 0.0105 -0.0106 864 ALA A CB \n1294 N N . GLU A 173 ? 0.4016 0.4925 0.5046 -0.0270 0.0192 -0.0154 865 GLU A N \n1295 C CA . GLU A 173 ? 0.4931 0.5890 0.6008 -0.0245 0.0228 -0.0180 865 GLU A CA \n1296 C C . GLU A 173 ? 0.5388 0.6389 0.6452 -0.0276 0.0278 -0.0190 865 GLU A C \n1297 O O . GLU A 173 ? 0.4377 0.5427 0.5481 -0.0255 0.0314 -0.0213 865 GLU A O \n1298 C CB . GLU A 173 ? 0.4546 0.5449 0.5583 -0.0217 0.0217 -0.0192 865 GLU A CB \n1299 C CG . GLU A 173 ? 0.6108 0.6977 0.7164 -0.0188 0.0175 -0.0182 865 GLU A CG \n1300 C CD . GLU A 173 ? 0.7760 0.8593 0.8803 -0.0160 0.0166 -0.0194 865 GLU A CD \n1301 O OE1 . GLU A 173 ? 0.6465 0.7296 0.7549 -0.0133 0.0143 -0.0191 865 GLU A OE1 \n1302 O OE2 . GLU A 173 ? 0.7467 0.8270 0.8454 -0.0168 0.0182 -0.0207 865 GLU A OE2 \n1303 N N . GLU A 174 ? 0.5312 0.6292 0.6318 -0.0324 0.0280 -0.0172 866 GLU A N \n1304 C CA . GLU A 174 ? 0.5210 0.6227 0.6192 -0.0363 0.0330 -0.0177 866 GLU A CA \n1305 C C . GLU A 174 ? 0.4482 0.5565 0.5523 -0.0398 0.0334 -0.0159 866 GLU A C \n1306 O O . GLU A 174 ? 0.4220 0.5289 0.5283 -0.0398 0.0290 -0.0140 866 GLU A O \n1307 C CB . GLU A 174 ? 0.5265 0.6187 0.6110 -0.0401 0.0329 -0.0170 866 GLU A CB \n1308 C CG . GLU A 174 ? 0.6357 0.7215 0.7136 -0.0376 0.0332 -0.0190 866 GLU A CG \n1309 C CD . GLU A 174 ? 0.8191 0.8985 0.8963 -0.0341 0.0276 -0.0184 866 GLU A CD \n1310 O OE1 . GLU A 174 ? 0.9575 1.0343 1.0336 -0.0310 0.0274 -0.0201 866 GLU A OE1 \n1311 O OE2 . GLU A 174 ? 0.8109 0.8879 0.8886 -0.0345 0.0233 -0.0163 866 GLU A OE2 \n1312 N N . LYS A 175 ? 0.3976 0.5130 0.5043 -0.0428 0.0387 -0.0165 867 LYS A N \n1313 C CA . LYS A 175 ? 0.5223 0.6461 0.6372 -0.0460 0.0394 -0.0148 867 LYS A CA \n1314 C C . LYS A 175 ? 0.4677 0.5855 0.5746 -0.0519 0.0363 -0.0116 867 LYS A C \n1315 O O . LYS A 175 ? 0.4393 0.5603 0.5516 -0.0540 0.0336 -0.0095 867 LYS A O \n1316 C CB . LYS A 175 ? 0.3908 0.5254 0.5125 -0.0473 0.0467 -0.0165 867 LYS A CB \n1317 C CG . LYS A 175 ? 0.4489 0.5804 0.5599 -0.0517 0.0519 -0.0169 867 LYS A CG \n1318 C CD . LYS A 175 ? 0.4183 0.5576 0.5339 -0.0494 0.0595 -0.0202 867 LYS A CD \n1319 C CE . LYS A 175 ? 0.4244 0.5564 0.5256 -0.0523 0.0640 -0.0212 867 LYS A CE \n1320 N NZ . LYS A 175 ? 0.4857 0.6032 0.5734 -0.0511 0.0591 -0.0210 867 LYS A NZ \n1321 N N . GLU A 176 ? 0.4400 0.5481 0.5337 -0.0545 0.0360 -0.0111 868 GLU A N \n1322 C CA . GLU A 176 ? 0.5289 0.6301 0.6131 -0.0605 0.0334 -0.0082 868 GLU A CA \n1323 C C . GLU A 176 ? 0.5488 0.6451 0.6333 -0.0598 0.0264 -0.0060 868 GLU A C \n1324 O O . GLU A 176 ? 0.4754 0.5723 0.5600 -0.0642 0.0246 -0.0036 868 GLU A O \n1325 C CB . GLU A 176 ? 0.6021 0.6923 0.6715 -0.0625 0.0335 -0.0084 868 GLU A CB \n1326 C CG . GLU A 176 ? 0.6207 0.7137 0.6858 -0.0658 0.0405 -0.0096 868 GLU A CG \n1327 C CD . GLU A 176 ? 0.6491 0.7473 0.7193 -0.0607 0.0453 -0.0132 868 GLU A CD \n1328 O OE1 . GLU A 176 ? 0.4811 0.5775 0.5545 -0.0549 0.0423 -0.0146 868 GLU A OE1 \n1329 O OE2 . GLU A 176 ? 0.5551 0.6590 0.6257 -0.0626 0.0522 -0.0146 868 GLU A OE2 \n1330 N N . TYR A 177 ? 0.5147 0.6061 0.5991 -0.0544 0.0228 -0.0069 869 TYR A N \n1331 C CA . TYR A 177 ? 0.5059 0.5931 0.5913 -0.0525 0.0169 -0.0054 869 TYR A CA \n1332 C C . TYR A 177 ? 0.5519 0.6465 0.6467 -0.0535 0.0162 -0.0042 869 TYR A C \n1333 O O . TYR A 177 ? 0.5002 0.5905 0.5919 -0.0560 0.0122 -0.0020 869 TYR A O \n1334 C CB . TYR A 177 ? 0.5505 0.6351 0.6380 -0.0460 0.0150 -0.0069 869 TYR A CB \n1335 C CG . TYR A 177 ? 0.4925 0.5731 0.5810 -0.0435 0.0100 -0.0058 869 TYR A CG \n1336 C CD1 . TYR A 177 ? 0.4194 0.5054 0.5170 -0.0402 0.0096 -0.0062 869 TYR A CD1 \n1337 C CD2 . TYR A 177 ? 0.5127 0.5835 0.5924 -0.0444 0.0057 -0.0042 869 TYR A CD2 \n1338 C CE1 . TYR A 177 ? 0.4150 0.4964 0.5121 -0.0380 0.0054 -0.0052 869 TYR A CE1 \n1339 C CE2 . TYR A 177 ? 0.4952 0.5620 0.5751 -0.0418 0.0017 -0.0034 869 TYR A CE2 \n1340 C CZ . TYR A 177 ? 0.4832 0.5552 0.5715 -0.0387 0.0018 -0.0039 869 TYR A CZ \n1341 O OH . TYR A 177 ? 0.4906 0.5578 0.5779 -0.0363 -0.0016 -0.0031 869 TYR A OH \n1342 N N . HIS A 178 ? 0.4673 0.5724 0.5732 -0.0515 0.0198 -0.0058 870 HIS A N \n1343 C CA . HIS A 178 ? 0.4297 0.5423 0.5461 -0.0519 0.0186 -0.0049 870 HIS A CA \n1344 C C . HIS A 178 ? 0.5297 0.6474 0.6476 -0.0586 0.0202 -0.0029 870 HIS A C \n1345 O O . HIS A 178 ? 0.4814 0.6004 0.6030 -0.0610 0.0168 -0.0008 870 HIS A O \n1346 C CB . HIS A 178 ? 0.4690 0.5906 0.5970 -0.0470 0.0213 -0.0074 870 HIS A CB \n1347 C CG . HIS A 178 ? 0.4917 0.6084 0.6187 -0.0410 0.0192 -0.0089 870 HIS A CG \n1348 N ND1 . HIS A 178 ? 0.5360 0.6488 0.6577 -0.0384 0.0211 -0.0107 870 HIS A ND1 \n1349 C CD2 . HIS A 178 ? 0.4446 0.5593 0.5748 -0.0374 0.0152 -0.0087 870 HIS A CD2 \n1350 C CE1 . HIS A 178 ? 0.4307 0.5401 0.5533 -0.0337 0.0184 -0.0114 870 HIS A CE1 \n1351 N NE2 . HIS A 178 ? 0.6096 0.7200 0.7370 -0.0330 0.0151 -0.0103 870 HIS A NE2 \n1352 N N . ALA A 179 ? 0.5363 0.6565 0.6510 -0.0618 0.0254 -0.0035 871 ALA A N \n1353 C CA . ALA A 179 ? 0.5903 0.7151 0.7053 -0.0690 0.0277 -0.0014 871 ALA A CA \n1354 C C . ALA A 179 ? 0.6575 0.7714 0.7610 -0.0740 0.0225 0.0016 871 ALA A C \n1355 O O . ALA A 179 ? 0.5472 0.6637 0.6523 -0.0797 0.0215 0.0042 871 ALA A O \n1356 C CB . ALA A 179 ? 0.5564 0.6851 0.6688 -0.0712 0.0351 -0.0030 871 ALA A CB \n1357 N N . GLU A 180 ? 0.5940 0.6957 0.6862 -0.0718 0.0189 0.0015 872 GLU A N \n1358 C CA . GLU A 180 ? 0.6530 0.7428 0.7330 -0.0756 0.0136 0.0041 872 GLU A CA \n1359 C C . GLU A 180 ? 0.6943 0.7789 0.7750 -0.0733 0.0070 0.0054 872 GLU A C \n1360 O O . GLU A 180 ? 0.7354 0.8086 0.8057 -0.0743 0.0021 0.0068 872 GLU A O \n1361 C CB . GLU A 180 ? 0.8126 0.8916 0.8800 -0.0745 0.0130 0.0032 872 GLU A CB \n1362 C CG . GLU A 180 ? 0.9310 1.0104 0.9920 -0.0792 0.0181 0.0030 872 GLU A CG \n1363 C CD . GLU A 180 ? 1.1978 1.2687 1.2495 -0.0764 0.0181 0.0013 872 GLU A CD \n1364 O OE1 . GLU A 180 ? 1.2640 1.3250 1.3096 -0.0736 0.0125 0.0016 872 GLU A OE1 \n1365 O OE2 . GLU A 180 ? 1.1870 1.2609 1.2374 -0.0770 0.0236 -0.0003 872 GLU A OE2 \n1366 N N . GLY A 181 ? 0.6818 0.7741 0.7741 -0.0701 0.0068 0.0047 873 GLY A N \n1367 C CA . GLY A 181 ? 0.6288 0.7164 0.7216 -0.0683 0.0009 0.0060 873 GLY A CA \n1368 C C . GLY A 181 ? 0.5118 0.5940 0.6035 -0.0611 -0.0012 0.0042 873 GLY A C \n1369 O O . GLY A 181 ? 0.5353 0.6130 0.6267 -0.0591 -0.0055 0.0050 873 GLY A O \n1370 N N . GLY A 182 ? 0.4618 0.5441 0.5526 -0.0574 0.0018 0.0020 874 GLY A N \n1371 C CA . GLY A 182 ? 0.5354 0.6132 0.6255 -0.0509 0.0002 0.0005 874 GLY A CA \n1372 C C . GLY A 182 ? 0.5326 0.6163 0.6326 -0.0470 0.0001 -0.0003 874 GLY A C \n1373 O O . GLY A 182 ? 0.4218 0.5153 0.5312 -0.0477 0.0028 -0.0009 874 GLY A O \n1374 N N . LYS A 183 ? 0.4603 0.5380 0.5582 -0.0429 -0.0030 -0.0005 875 LYS A N \n1375 C CA . LYS A 183 ? 0.5038 0.5852 0.6093 -0.0393 -0.0037 -0.0012 875 LYS A CA \n1376 C C . LYS A 183 ? 0.5168 0.5968 0.6228 -0.0338 -0.0025 -0.0031 875 LYS A C \n1377 O O . LYS A 183 ? 0.4771 0.5517 0.5770 -0.0324 -0.0023 -0.0035 875 LYS A O \n1378 C CB . LYS A 183 ? 0.6708 0.7458 0.7730 -0.0398 -0.0086 0.0005 875 LYS A CB \n1379 C CG . LYS A 183 ? 0.7606 0.8365 0.8626 -0.0457 -0.0107 0.0028 875 LYS A CG \n1380 C CD . LYS A 183 ? 0.7992 0.8849 0.9128 -0.0468 -0.0105 0.0030 875 LYS A CD \n1381 C CE . LYS A 183 ? 0.8655 0.9518 0.9792 -0.0530 -0.0133 0.0056 875 LYS A CE \n1382 N NZ . LYS A 183 ? 0.8241 0.9172 0.9483 -0.0537 -0.0153 0.0063 875 LYS A NZ \n1383 N N . VAL A 184 ? 0.4556 0.5405 0.5692 -0.0308 -0.0019 -0.0041 876 VAL A N \n1384 C CA . VAL A 184 ? 0.4440 0.5281 0.5589 -0.0259 -0.0009 -0.0057 876 VAL A CA \n1385 C C . VAL A 184 ? 0.3896 0.4716 0.5065 -0.0234 -0.0035 -0.0053 876 VAL A C \n1386 O O . VAL A 184 ? 0.4569 0.5402 0.5764 -0.0253 -0.0058 -0.0043 876 VAL A O \n1387 C CB . VAL A 184 ? 0.3765 0.4680 0.4978 -0.0245 0.0028 -0.0077 876 VAL A CB \n1388 C CG1 . VAL A 184 ? 0.4138 0.5039 0.5300 -0.0259 0.0051 -0.0083 876 VAL A CG1 \n1389 C CG2 . VAL A 184 ? 0.4331 0.5334 0.5629 -0.0264 0.0042 -0.0080 876 VAL A CG2 \n1390 N N . PRO A 185 ? 0.3997 0.4778 0.5147 -0.0196 -0.0035 -0.0060 877 PRO A N \n1391 C CA . PRO A 185 ? 0.3479 0.4220 0.4622 -0.0175 -0.0059 -0.0056 877 PRO A CA \n1392 C C . PRO A 185 ? 0.3583 0.4380 0.4807 -0.0162 -0.0060 -0.0064 877 PRO A C \n1393 O O . PRO A 185 ? 0.3013 0.3809 0.4253 -0.0132 -0.0051 -0.0074 877 PRO A O \n1394 C CB . PRO A 185 ? 0.3924 0.4613 0.5022 -0.0142 -0.0049 -0.0060 877 PRO A CB \n1395 C CG . PRO A 185 ? 0.3646 0.4377 0.4770 -0.0138 -0.0021 -0.0072 877 PRO A CG \n1396 C CD . PRO A 185 ? 0.4643 0.5410 0.5772 -0.0174 -0.0015 -0.0070 877 PRO A CD \n1397 N N . ILE A 186 ? 0.2826 0.3670 0.4102 -0.0186 -0.0073 -0.0059 878 ILE A N \n1398 C CA . ILE A 186 ? 0.3351 0.4260 0.4719 -0.0173 -0.0074 -0.0070 878 ILE A CA \n1399 C C . ILE A 186 ? 0.2910 0.3776 0.4274 -0.0141 -0.0096 -0.0072 878 ILE A C \n1400 O O . ILE A 186 ? 0.2894 0.3799 0.4316 -0.0117 -0.0089 -0.0086 878 ILE A O \n1401 C CB . ILE A 186 ? 0.3264 0.4229 0.4697 -0.0205 -0.0093 -0.0060 878 ILE A CB \n1402 C CG1 . ILE A 186 ? 0.3768 0.4798 0.5224 -0.0237 -0.0060 -0.0061 878 ILE A CG1 \n1403 C CG2 . ILE A 186 ? 0.3291 0.4311 0.4820 -0.0184 -0.0106 -0.0070 878 ILE A CG2 \n1404 C CD1 . ILE A 186 ? 0.4177 0.5295 0.5707 -0.0222 -0.0015 -0.0084 878 ILE A CD1 \n1405 N N . LYS A 187 ? 0.3059 0.3839 0.4348 -0.0142 -0.0125 -0.0058 879 LYS A N \n1406 C CA . LYS A 187 ? 0.2655 0.3382 0.3926 -0.0119 -0.0149 -0.0057 879 LYS A CA \n1407 C C . LYS A 187 ? 0.2496 0.3199 0.3741 -0.0089 -0.0122 -0.0067 879 LYS A C \n1408 O O . LYS A 187 ? 0.3014 0.3677 0.4244 -0.0071 -0.0136 -0.0067 879 LYS A O \n1409 C CB . LYS A 187 ? 0.3044 0.3677 0.4233 -0.0132 -0.0187 -0.0039 879 LYS A CB \n1410 C CG . LYS A 187 ? 0.4207 0.4863 0.5439 -0.0162 -0.0228 -0.0027 879 LYS A CG \n1411 C CD . LYS A 187 ? 0.4529 0.5080 0.5661 -0.0180 -0.0266 -0.0008 879 LYS A CD \n1412 C CE . LYS A 187 ? 0.3576 0.4147 0.4755 -0.0214 -0.0314 0.0006 879 LYS A CE \n1413 N NZ . LYS A 187 ? 0.3886 0.4340 0.4956 -0.0232 -0.0359 0.0025 879 LYS A NZ \n1414 N N . TRP A 188 ? 0.2492 0.3218 0.3731 -0.0086 -0.0088 -0.0074 880 TRP A N \n1415 C CA . TRP A 188 ? 0.3357 0.4076 0.4588 -0.0061 -0.0063 -0.0082 880 TRP A CA \n1416 C C . TRP A 188 ? 0.3177 0.3968 0.4477 -0.0053 -0.0042 -0.0099 880 TRP A C \n1417 O O . TRP A 188 ? 0.3613 0.4399 0.4913 -0.0035 -0.0028 -0.0107 880 TRP A O \n1418 C CB . TRP A 188 ? 0.2820 0.3500 0.3989 -0.0061 -0.0046 -0.0077 880 TRP A CB \n1419 C CG . TRP A 188 ? 0.3075 0.3672 0.4168 -0.0054 -0.0058 -0.0066 880 TRP A CG \n1420 C CD1 . TRP A 188 ? 0.3092 0.3646 0.4150 -0.0034 -0.0046 -0.0064 880 TRP A CD1 \n1421 C CD2 . TRP A 188 ? 0.3521 0.4065 0.4560 -0.0070 -0.0084 -0.0054 880 TRP A CD2 \n1422 N NE1 . TRP A 188 ? 0.3136 0.3612 0.4117 -0.0033 -0.0058 -0.0054 880 TRP A NE1 \n1423 C CE2 . TRP A 188 ? 0.3401 0.3865 0.4365 -0.0054 -0.0084 -0.0048 880 TRP A CE2 \n1424 C CE3 . TRP A 188 ? 0.3467 0.4023 0.4511 -0.0098 -0.0106 -0.0047 880 TRP A CE3 \n1425 C CZ2 . TRP A 188 ? 0.3533 0.3916 0.4417 -0.0062 -0.0108 -0.0038 880 TRP A CZ2 \n1426 C CZ3 . TRP A 188 ? 0.3428 0.3906 0.4398 -0.0110 -0.0136 -0.0034 880 TRP A CZ3 \n1427 C CH2 . TRP A 188 ? 0.2822 0.3212 0.3710 -0.0090 -0.0138 -0.0031 880 TRP A CH2 \n1428 N N . MET A 189 ? 0.2739 0.3593 0.4094 -0.0067 -0.0040 -0.0106 881 MET A N \n1429 C CA . MET A 189 ? 0.2628 0.3543 0.4031 -0.0060 -0.0012 -0.0124 881 MET A CA \n1430 C C . MET A 189 ? 0.2804 0.3752 0.4271 -0.0037 -0.0017 -0.0139 881 MET A C \n1431 O O . MET A 189 ? 0.2816 0.3772 0.4321 -0.0034 -0.0044 -0.0136 881 MET A O \n1432 C CB . MET A 189 ? 0.2925 0.3892 0.4348 -0.0088 0.0004 -0.0125 881 MET A CB \n1433 C CG . MET A 189 ? 0.3302 0.4235 0.4656 -0.0109 0.0014 -0.0114 881 MET A CG \n1434 S SD . MET A 189 ? 0.3900 0.4880 0.5268 -0.0152 0.0023 -0.0108 881 MET A SD \n1435 C CE . MET A 189 ? 0.3248 0.4309 0.4676 -0.0146 0.0065 -0.0132 881 MET A CE \n1436 N N . ALA A 190 ? 0.2680 0.3642 0.4158 -0.0019 0.0002 -0.0155 882 ALA A N \n1437 C CA . ALA A 190 ? 0.2123 0.3113 0.3659 0.0007 -0.0003 -0.0173 882 ALA A CA \n1438 C C . ALA A 190 ? 0.2428 0.3498 0.4041 0.0002 0.0007 -0.0185 882 ALA A C \n1439 O O . ALA A 190 ? 0.2364 0.3471 0.3976 -0.0020 0.0031 -0.0183 882 ALA A O \n1440 C CB . ALA A 190 ? 0.1870 0.2851 0.3392 0.0024 0.0016 -0.0188 882 ALA A CB \n1441 N N . LEU A 191 ? 0.2775 0.3873 0.4455 0.0025 -0.0010 -0.0197 883 LEU A N \n1442 C CA . LEU A 191 ? 0.2827 0.4014 0.4599 0.0024 0.0000 -0.0209 883 LEU A CA \n1443 C C . LEU A 191 ? 0.3034 0.4277 0.4818 0.0023 0.0053 -0.0228 883 LEU A C \n1444 O O . LEU A 191 ? 0.2609 0.3916 0.4430 0.0000 0.0077 -0.0227 883 LEU A O \n1445 C CB . LEU A 191 ? 0.2667 0.3873 0.4516 0.0057 -0.0030 -0.0222 883 LEU A CB \n1446 C CG . LEU A 191 ? 0.2574 0.3879 0.4540 0.0058 -0.0027 -0.0231 883 LEU A CG \n1447 C CD1 . LEU A 191 ? 0.3202 0.4530 0.5173 0.0014 -0.0034 -0.0207 883 LEU A CD1 \n1448 C CD2 . LEU A 191 ? 0.2599 0.3904 0.4634 0.0091 -0.0073 -0.0240 883 LEU A CD2 \n1449 N N . GLU A 192 ? 0.1794 0.3005 0.3538 0.0044 0.0070 -0.0244 884 GLU A N \n1450 C CA . GLU A 192 ? 0.1909 0.3153 0.3643 0.0043 0.0118 -0.0263 884 GLU A CA \n1451 C C . GLU A 192 ? 0.2346 0.3580 0.4015 0.0001 0.0141 -0.0247 884 GLU A C \n1452 O O . GLU A 192 ? 0.2105 0.3377 0.3770 -0.0012 0.0181 -0.0258 884 GLU A O \n1453 C CB . GLU A 192 ? 0.2434 0.3636 0.4134 0.0075 0.0123 -0.0283 884 GLU A CB \n1454 C CG . GLU A 192 ? 0.2629 0.3745 0.4240 0.0066 0.0106 -0.0268 884 GLU A CG \n1455 C CD . GLU A 192 ? 0.2790 0.3854 0.4393 0.0076 0.0063 -0.0252 884 GLU A CD \n1456 O OE1 . GLU A 192 ? 0.2264 0.3342 0.3916 0.0085 0.0037 -0.0249 884 GLU A OE1 \n1457 O OE2 . GLU A 192 ? 0.2177 0.3181 0.3721 0.0071 0.0053 -0.0241 884 GLU A OE2 \n1458 N N . SER A 193 ? 0.2973 0.4149 0.4585 -0.0017 0.0115 -0.0222 885 SER A N \n1459 C CA . SER A 193 ? 0.2356 0.3513 0.3905 -0.0054 0.0127 -0.0206 885 SER A CA \n1460 C C . SER A 193 ? 0.2550 0.3762 0.4139 -0.0086 0.0131 -0.0195 885 SER A C \n1461 O O . SER A 193 ? 0.2761 0.3991 0.4325 -0.0117 0.0158 -0.0192 885 SER A O \n1462 C CB . SER A 193 ? 0.2489 0.3569 0.3974 -0.0059 0.0098 -0.0185 885 SER A CB \n1463 O OG . SER A 193 ? 0.2896 0.3934 0.4354 -0.0034 0.0093 -0.0192 885 SER A OG \n1464 N N . ILE A 194 ? 0.2248 0.3478 0.3894 -0.0081 0.0101 -0.0187 886 ILE A N \n1465 C CA . ILE A 194 ? 0.2811 0.4095 0.4510 -0.0111 0.0095 -0.0174 886 ILE A CA \n1466 C C . ILE A 194 ? 0.2770 0.4151 0.4545 -0.0114 0.0138 -0.0193 886 ILE A C \n1467 O O . ILE A 194 ? 0.3094 0.4513 0.4867 -0.0153 0.0163 -0.0184 886 ILE A O \n1468 C CB . ILE A 194 ? 0.3578 0.4856 0.5325 -0.0101 0.0046 -0.0164 886 ILE A CB \n1469 C CG1 . ILE A 194 ? 0.3072 0.4248 0.4729 -0.0103 0.0011 -0.0145 886 ILE A CG1 \n1470 C CG2 . ILE A 194 ? 0.3112 0.4454 0.4928 -0.0134 0.0036 -0.0151 886 ILE A CG2 \n1471 C CD1 . ILE A 194 ? 0.2950 0.4095 0.4629 -0.0089 -0.0037 -0.0136 886 ILE A CD1 \n1472 N N . LEU A 195 ? 0.2906 0.4324 0.4742 -0.0073 0.0151 -0.0219 887 LEU A N \n1473 C CA . LEU A 195 ? 0.3182 0.4701 0.5106 -0.0067 0.0194 -0.0241 887 LEU A CA \n1474 C C . LEU A 195 ? 0.3433 0.4957 0.5302 -0.0074 0.0253 -0.0257 887 LEU A C \n1475 O O . LEU A 195 ? 0.2164 0.3764 0.4078 -0.0093 0.0296 -0.0264 887 LEU A O \n1476 C CB . LEU A 195 ? 0.2674 0.4231 0.4692 -0.0015 0.0182 -0.0264 887 LEU A CB \n1477 C CG . LEU A 195 ? 0.3812 0.5361 0.5887 -0.0007 0.0120 -0.0249 887 LEU A CG \n1478 C CD1 . LEU A 195 ? 0.3693 0.5250 0.5834 0.0046 0.0099 -0.0273 887 LEU A CD1 \n1479 C CD2 . LEU A 195 ? 0.3279 0.4907 0.5440 -0.0042 0.0111 -0.0232 887 LEU A CD2 \n1480 N N . HIS A 196 ? 0.2235 0.3676 0.4005 -0.0064 0.0253 -0.0262 888 HIS A N \n1481 C CA . HIS A 196 ? 0.2116 0.3547 0.3828 -0.0065 0.0302 -0.0281 888 HIS A CA \n1482 C C . HIS A 196 ? 0.2601 0.3939 0.4187 -0.0088 0.0296 -0.0268 888 HIS A C \n1483 O O . HIS A 196 ? 0.2582 0.3890 0.4104 -0.0086 0.0325 -0.0283 888 HIS A O \n1484 C CB . HIS A 196 ? 0.2642 0.4072 0.4376 -0.0011 0.0313 -0.0314 888 HIS A CB \n1485 C CG . HIS A 196 ? 0.2815 0.4343 0.4675 0.0016 0.0330 -0.0335 888 HIS A CG \n1486 N ND1 . HIS A 196 ? 0.3202 0.4817 0.5112 0.0006 0.0388 -0.0350 888 HIS A ND1 \n1487 C CD2 . HIS A 196 ? 0.2806 0.4359 0.4755 0.0053 0.0295 -0.0342 888 HIS A CD2 \n1488 C CE1 . HIS A 196 ? 0.3149 0.4847 0.5185 0.0040 0.0389 -0.0366 888 HIS A CE1 \n1489 N NE2 . HIS A 196 ? 0.3203 0.4861 0.5262 0.0069 0.0329 -0.0362 888 HIS A NE2 \n1490 N N . ARG A 197 ? 0.2220 0.3511 0.3772 -0.0107 0.0255 -0.0240 889 ARG A N \n1491 C CA . ARG A 197 ? 0.3218 0.4424 0.4663 -0.0128 0.0242 -0.0225 889 ARG A CA \n1492 C C . ARG A 197 ? 0.2542 0.3690 0.3942 -0.0097 0.0237 -0.0239 889 ARG A C \n1493 O O . ARG A 197 ? 0.2898 0.3990 0.4216 -0.0111 0.0242 -0.0238 889 ARG A O \n1494 C CB . ARG A 197 ? 0.3107 0.4315 0.4495 -0.0173 0.0274 -0.0220 889 ARG A CB \n1495 C CG . ARG A 197 ? 0.3310 0.4577 0.4744 -0.0210 0.0279 -0.0203 889 ARG A CG \n1496 C CD . ARG A 197 ? 0.4083 0.5334 0.5441 -0.0261 0.0306 -0.0194 889 ARG A CD \n1497 N NE . ARG A 197 ? 0.3870 0.5168 0.5263 -0.0304 0.0304 -0.0173 889 ARG A NE \n1498 C CZ . ARG A 197 ? 0.5005 0.6383 0.6441 -0.0335 0.0349 -0.0176 889 ARG A CZ \n1499 N NH1 . ARG A 197 ? 0.3863 0.5280 0.5305 -0.0324 0.0405 -0.0201 889 ARG A NH1 \n1500 N NH2 . ARG A 197 ? 0.4104 0.5519 0.5573 -0.0378 0.0339 -0.0152 889 ARG A NH2 \n1501 N N . ILE A 198 ? 0.2439 0.3596 0.3892 -0.0058 0.0222 -0.0252 890 ILE A N \n1502 C CA . ILE A 198 ? 0.2918 0.4016 0.4333 -0.0030 0.0209 -0.0262 890 ILE A CA \n1503 C C . ILE A 198 ? 0.2535 0.3579 0.3926 -0.0031 0.0168 -0.0239 890 ILE A C \n1504 O O . ILE A 198 ? 0.2518 0.3573 0.3951 -0.0024 0.0145 -0.0228 890 ILE A O \n1505 C CB . ILE A 198 ? 0.2880 0.4004 0.4356 0.0012 0.0209 -0.0286 890 ILE A CB \n1506 C CG1 . ILE A 198 ? 0.3485 0.4661 0.4983 0.0021 0.0256 -0.0314 890 ILE A CG1 \n1507 C CG2 . ILE A 198 ? 0.2516 0.3569 0.3949 0.0035 0.0185 -0.0291 890 ILE A CG2 \n1508 C CD1 . ILE A 198 ? 0.2529 0.3755 0.4117 0.0063 0.0257 -0.0338 890 ILE A CD1 \n1509 N N . TYR A 199 ? 0.2700 0.3684 0.4023 -0.0039 0.0159 -0.0232 891 TYR A N \n1510 C CA . TYR A 199 ? 0.3025 0.3962 0.4329 -0.0037 0.0127 -0.0212 891 TYR A CA \n1511 C C . TYR A 199 ? 0.2632 0.3523 0.3910 -0.0022 0.0116 -0.0217 891 TYR A C \n1512 O O . TYR A 199 ? 0.3002 0.3866 0.4231 -0.0030 0.0124 -0.0225 891 TYR A O \n1513 C CB . TYR A 199 ? 0.3225 0.4135 0.4479 -0.0066 0.0122 -0.0193 891 TYR A CB \n1514 C CG . TYR A 199 ? 0.3393 0.4329 0.4660 -0.0087 0.0122 -0.0181 891 TYR A CG \n1515 C CD1 . TYR A 199 ? 0.3133 0.4057 0.4414 -0.0082 0.0099 -0.0165 891 TYR A CD1 \n1516 C CD2 . TYR A 199 ? 0.3412 0.4380 0.4671 -0.0114 0.0146 -0.0185 891 TYR A CD2 \n1517 C CE1 . TYR A 199 ? 0.4019 0.4955 0.5302 -0.0103 0.0093 -0.0153 891 TYR A CE1 \n1518 C CE2 . TYR A 199 ? 0.3614 0.4602 0.4883 -0.0138 0.0142 -0.0170 891 TYR A CE2 \n1519 C CZ . TYR A 199 ? 0.3740 0.4710 0.5020 -0.0132 0.0112 -0.0154 891 TYR A CZ \n1520 O OH . TYR A 199 ? 0.4616 0.5594 0.5897 -0.0157 0.0102 -0.0139 891 TYR A OH \n1521 N N . THR A 200 ? 0.2709 0.3588 0.4014 -0.0002 0.0095 -0.0213 892 THR A N \n1522 C CA . THR A 200 ? 0.2838 0.3673 0.4125 0.0008 0.0078 -0.0214 892 THR A CA \n1523 C C . THR A 200 ? 0.2458 0.3276 0.3758 0.0009 0.0057 -0.0193 892 THR A C \n1524 O O . THR A 200 ? 0.2389 0.3221 0.3704 0.0005 0.0056 -0.0181 892 THR A O \n1525 C CB . THR A 200 ? 0.2441 0.3279 0.3752 0.0035 0.0077 -0.0235 892 THR A CB \n1526 O OG1 . THR A 200 ? 0.2600 0.3458 0.3958 0.0048 0.0064 -0.0230 892 THR A OG1 \n1527 C CG2 . THR A 200 ? 0.3017 0.3885 0.4328 0.0041 0.0107 -0.0261 892 THR A CG2 \n1528 N N . HIS A 201 ? 0.2657 0.3440 0.3949 0.0014 0.0040 -0.0187 893 HIS A N \n1529 C CA . HIS A 201 ? 0.3067 0.3839 0.4376 0.0015 0.0026 -0.0168 893 HIS A CA \n1530 C C . HIS A 201 ? 0.2350 0.3129 0.3684 0.0028 0.0022 -0.0169 893 HIS A C \n1531 O O . HIS A 201 ? 0.2163 0.2936 0.3500 0.0026 0.0019 -0.0153 893 HIS A O \n1532 C CB . HIS A 201 ? 0.2608 0.3348 0.3910 0.0011 0.0009 -0.0159 893 HIS A CB \n1533 C CG . HIS A 201 ? 0.2817 0.3544 0.4095 -0.0002 0.0006 -0.0155 893 HIS A CG \n1534 N ND1 . HIS A 201 ? 0.2949 0.3683 0.4230 -0.0011 0.0007 -0.0140 893 HIS A ND1 \n1535 C CD2 . HIS A 201 ? 0.3002 0.3703 0.4247 -0.0008 0.0000 -0.0166 893 HIS A CD2 \n1536 C CE1 . HIS A 201 ? 0.2813 0.3526 0.4066 -0.0023 -0.0001 -0.0140 893 HIS A CE1 \n1537 N NE2 . HIS A 201 ? 0.3474 0.4165 0.4702 -0.0023 -0.0007 -0.0154 893 HIS A NE2 \n1538 N N . GLN A 202 ? 0.2662 0.3453 0.4011 0.0043 0.0022 -0.0189 894 GLN A N \n1539 C CA . GLN A 202 ? 0.3008 0.3805 0.4384 0.0057 0.0011 -0.0192 894 GLN A CA \n1540 C C . GLN A 202 ? 0.2660 0.3491 0.4055 0.0052 0.0018 -0.0189 894 GLN A C \n1541 O O . GLN A 202 ? 0.2166 0.2987 0.3572 0.0056 0.0002 -0.0182 894 GLN A O \n1542 C CB . GLN A 202 ? 0.2712 0.3506 0.4104 0.0080 0.0003 -0.0216 894 GLN A CB \n1543 C CG . GLN A 202 ? 0.2451 0.3195 0.3817 0.0084 -0.0013 -0.0216 894 GLN A CG \n1544 C CD . GLN A 202 ? 0.3119 0.3828 0.4476 0.0074 -0.0032 -0.0192 894 GLN A CD \n1545 O OE1 . GLN A 202 ? 0.2739 0.3437 0.4081 0.0056 -0.0030 -0.0173 894 GLN A OE1 \n1546 N NE2 . GLN A 202 ? 0.2825 0.3516 0.4191 0.0085 -0.0052 -0.0192 894 GLN A NE2 \n1547 N N . SER A 203 ? 0.2305 0.3167 0.3698 0.0039 0.0037 -0.0193 895 SER A N \n1548 C CA . SER A 203 ? 0.2693 0.3576 0.4093 0.0026 0.0039 -0.0183 895 SER A CA \n1549 C C . SER A 203 ? 0.2776 0.3623 0.4141 0.0014 0.0032 -0.0160 895 SER A C \n1550 O O . SER A 203 ? 0.2485 0.3325 0.3848 0.0011 0.0022 -0.0150 895 SER A O \n1551 C CB . SER A 203 ? 0.3224 0.4150 0.4630 0.0011 0.0061 -0.0191 895 SER A CB \n1552 O OG . SER A 203 ? 0.2522 0.3429 0.3883 -0.0004 0.0073 -0.0187 895 SER A OG \n1553 N N . ASP A 204 ? 0.2664 0.3487 0.4003 0.0011 0.0036 -0.0152 896 ASP A N \n1554 C CA . ASP A 204 ? 0.2404 0.3196 0.3717 0.0007 0.0033 -0.0133 896 ASP A CA \n1555 C C . ASP A 204 ? 0.1875 0.2642 0.3189 0.0016 0.0023 -0.0125 896 ASP A C \n1556 O O . ASP A 204 ? 0.2167 0.2909 0.3457 0.0014 0.0022 -0.0113 896 ASP A O \n1557 C CB . ASP A 204 ? 0.2905 0.3686 0.4209 0.0004 0.0037 -0.0127 896 ASP A CB \n1558 C CG . ASP A 204 ? 0.3267 0.4052 0.4550 -0.0008 0.0042 -0.0128 896 ASP A CG \n1559 O OD1 . ASP A 204 ? 0.2851 0.3625 0.4128 -0.0011 0.0038 -0.0125 896 ASP A OD1 \n1560 O OD2 . ASP A 204 ? 0.2647 0.3443 0.3917 -0.0019 0.0046 -0.0130 896 ASP A OD2 \n1561 N N . VAL A 205 ? 0.1864 0.2627 0.3196 0.0026 0.0014 -0.0133 897 VAL A N \n1562 C CA . VAL A 205 ? 0.1757 0.2486 0.3080 0.0032 0.0000 -0.0126 897 VAL A CA \n1563 C C . VAL A 205 ? 0.2591 0.3309 0.3907 0.0033 -0.0012 -0.0124 897 VAL A C \n1564 O O . VAL A 205 ? 0.2232 0.2909 0.3514 0.0030 -0.0018 -0.0110 897 VAL A O \n1565 C CB . VAL A 205 ? 0.1789 0.2506 0.3127 0.0042 -0.0015 -0.0136 897 VAL A CB \n1566 C CG1 . VAL A 205 ? 0.1852 0.2526 0.3174 0.0046 -0.0035 -0.0129 897 VAL A CG1 \n1567 C CG2 . VAL A 205 ? 0.2414 0.3121 0.3747 0.0035 -0.0009 -0.0130 897 VAL A CG2 \n1568 N N . TRP A 206 ? 0.1984 0.2739 0.3332 0.0035 -0.0017 -0.0137 898 TRP A N \n1569 C CA . TRP A 206 ? 0.2443 0.3194 0.3794 0.0032 -0.0035 -0.0133 898 TRP A CA \n1570 C C . TRP A 206 ? 0.2272 0.2994 0.3576 0.0018 -0.0030 -0.0116 898 TRP A C \n1571 O O . TRP A 206 ? 0.2115 0.2788 0.3382 0.0016 -0.0047 -0.0105 898 TRP A O \n1572 C CB . TRP A 206 ? 0.2139 0.2952 0.3546 0.0033 -0.0034 -0.0149 898 TRP A CB \n1573 C CG . TRP A 206 ? 0.1837 0.2658 0.3263 0.0026 -0.0056 -0.0144 898 TRP A CG \n1574 C CD1 . TRP A 206 ? 0.2347 0.3144 0.3738 0.0008 -0.0064 -0.0128 898 TRP A CD1 \n1575 C CD2 . TRP A 206 ? 0.2264 0.3119 0.3755 0.0038 -0.0078 -0.0156 898 TRP A CD2 \n1576 N NE1 . TRP A 206 ? 0.2215 0.3027 0.3644 0.0004 -0.0093 -0.0127 898 TRP A NE1 \n1577 C CE2 . TRP A 206 ? 0.2218 0.3071 0.3715 0.0023 -0.0101 -0.0144 898 TRP A CE2 \n1578 C CE3 . TRP A 206 ? 0.2560 0.3445 0.4105 0.0062 -0.0082 -0.0176 898 TRP A CE3 \n1579 C CZ2 . TRP A 206 ? 0.2724 0.3612 0.4291 0.0030 -0.0130 -0.0150 898 TRP A CZ2 \n1580 C CZ3 . TRP A 206 ? 0.2655 0.3578 0.4272 0.0073 -0.0107 -0.0185 898 TRP A CZ3 \n1581 C CH2 . TRP A 206 ? 0.2477 0.3402 0.4107 0.0056 -0.0131 -0.0171 898 TRP A CH2 \n1582 N N . SER A 207 ? 0.2085 0.2825 0.3379 0.0009 -0.0009 -0.0115 899 SER A N \n1583 C CA . SER A 207 ? 0.2061 0.2771 0.3308 0.0000 -0.0005 -0.0102 899 SER A CA \n1584 C C . SER A 207 ? 0.2428 0.3088 0.3633 0.0007 0.0001 -0.0090 899 SER A C \n1585 O O . SER A 207 ? 0.2326 0.2940 0.3480 0.0005 0.0000 -0.0080 899 SER A O \n1586 C CB . SER A 207 ? 0.2226 0.2961 0.3471 -0.0009 0.0010 -0.0103 899 SER A CB \n1587 O OG . SER A 207 ? 0.3026 0.3809 0.4306 -0.0019 0.0010 -0.0114 899 SER A OG \n1588 N N . TYR A 208 ? 0.2420 0.3087 0.3642 0.0014 0.0011 -0.0091 900 TYR A N \n1589 C CA . TYR A 208 ? 0.2237 0.2863 0.3428 0.0018 0.0022 -0.0079 900 TYR A CA \n1590 C C . TYR A 208 ? 0.2569 0.3143 0.3721 0.0018 0.0005 -0.0074 900 TYR A C \n1591 O O . TYR A 208 ? 0.2346 0.2873 0.3444 0.0017 0.0016 -0.0063 900 TYR A O \n1592 C CB . TYR A 208 ? 0.2786 0.3430 0.4007 0.0019 0.0030 -0.0080 900 TYR A CB \n1593 C CG . TYR A 208 ? 0.2518 0.3129 0.3715 0.0018 0.0045 -0.0065 900 TYR A CG \n1594 C CD1 . TYR A 208 ? 0.2530 0.3102 0.3705 0.0015 0.0032 -0.0060 900 TYR A CD1 \n1595 C CD2 . TYR A 208 ? 0.3118 0.3738 0.4316 0.0019 0.0072 -0.0056 900 TYR A CD2 \n1596 C CE1 . TYR A 208 ? 0.3283 0.3825 0.4431 0.0008 0.0050 -0.0045 900 TYR A CE1 \n1597 C CE2 . TYR A 208 ? 0.2675 0.3274 0.3859 0.0016 0.0093 -0.0042 900 TYR A CE2 \n1598 C CZ . TYR A 208 ? 0.3254 0.3813 0.4408 0.0008 0.0084 -0.0036 900 TYR A CZ \n1599 O OH . TYR A 208 ? 0.3145 0.3683 0.4279 0.0000 0.0108 -0.0021 900 TYR A OH \n1600 N N . GLY A 209 ? 0.2667 0.3246 0.3842 0.0019 -0.0021 -0.0082 901 GLY A N \n1601 C CA . GLY A 209 ? 0.2484 0.3005 0.3621 0.0018 -0.0047 -0.0076 901 GLY A CA \n1602 C C . GLY A 209 ? 0.2556 0.3041 0.3645 0.0012 -0.0055 -0.0068 901 GLY A C \n1603 O O . GLY A 209 ? 0.2543 0.2957 0.3565 0.0009 -0.0063 -0.0058 901 GLY A O \n1604 N N . VAL A 210 ? 0.2625 0.3151 0.3742 0.0007 -0.0057 -0.0073 902 VAL A N \n1605 C CA . VAL A 210 ? 0.2244 0.2733 0.3314 -0.0001 -0.0071 -0.0066 902 VAL A CA \n1606 C C . VAL A 210 ? 0.2572 0.3008 0.3569 0.0002 -0.0044 -0.0057 902 VAL A C \n1607 O O . VAL A 210 ? 0.2896 0.3259 0.3819 0.0000 -0.0053 -0.0048 902 VAL A O \n1608 C CB . VAL A 210 ? 0.2599 0.3144 0.3714 -0.0012 -0.0077 -0.0071 902 VAL A CB \n1609 C CG1 . VAL A 210 ? 0.2876 0.3371 0.3938 -0.0026 -0.0101 -0.0060 902 VAL A CG1 \n1610 C CG2 . VAL A 210 ? 0.2210 0.2817 0.3407 -0.0011 -0.0094 -0.0082 902 VAL A CG2 \n1611 N N . THR A 211 ? 0.2530 0.3003 0.3550 0.0008 -0.0012 -0.0059 903 THR A N \n1612 C CA . THR A 211 ? 0.2645 0.3083 0.3615 0.0017 0.0017 -0.0053 903 THR A CA \n1613 C C . THR A 211 ? 0.2164 0.2538 0.3074 0.0021 0.0028 -0.0045 903 THR A C \n1614 O O . THR A 211 ? 0.2578 0.2885 0.3411 0.0025 0.0037 -0.0039 903 THR A O \n1615 C CB . THR A 211 ? 0.2349 0.2845 0.3372 0.0024 0.0044 -0.0057 903 THR A CB \n1616 O OG1 . THR A 211 ? 0.2518 0.3059 0.3578 0.0017 0.0033 -0.0064 903 THR A OG1 \n1617 C CG2 . THR A 211 ? 0.2580 0.3053 0.3570 0.0038 0.0075 -0.0052 903 THR A CG2 \n1618 N N . VAL A 212 ? 0.2426 0.2813 0.3365 0.0018 0.0028 -0.0044 904 VAL A N \n1619 C CA . VAL A 212 ? 0.2678 0.3003 0.3557 0.0016 0.0037 -0.0034 904 VAL A CA \n1620 C C . VAL A 212 ? 0.3394 0.3633 0.4191 0.0010 0.0007 -0.0030 904 VAL A C \n1621 O O . VAL A 212 ? 0.2939 0.3104 0.3649 0.0010 0.0023 -0.0022 904 VAL A O \n1622 C CB . VAL A 212 ? 0.2888 0.3234 0.3808 0.0010 0.0030 -0.0034 904 VAL A CB \n1623 C CG1 . VAL A 212 ? 0.3699 0.3967 0.4545 0.0001 0.0031 -0.0022 904 VAL A CG1 \n1624 C CG2 . VAL A 212 ? 0.3306 0.3718 0.4290 0.0012 0.0060 -0.0034 904 VAL A CG2 \n1625 N N . TRP A 213 ? 0.2856 0.3104 0.3680 0.0005 -0.0037 -0.0035 905 TRP A N \n1626 C CA . TRP A 213 ? 0.2986 0.3156 0.3743 -0.0002 -0.0075 -0.0029 905 TRP A CA \n1627 C C . TRP A 213 ? 0.2931 0.3046 0.3609 0.0000 -0.0063 -0.0025 905 TRP A C \n1628 O O . TRP A 213 ? 0.3043 0.3058 0.3618 -0.0003 -0.0071 -0.0018 905 TRP A O \n1629 C CB . TRP A 213 ? 0.3086 0.3302 0.3915 -0.0007 -0.0122 -0.0035 905 TRP A CB \n1630 C CG . TRP A 213 ? 0.3462 0.3602 0.4237 -0.0018 -0.0174 -0.0028 905 TRP A CG \n1631 C CD1 . TRP A 213 ? 0.3501 0.3587 0.4256 -0.0022 -0.0216 -0.0024 905 TRP A CD1 \n1632 C CD2 . TRP A 213 ? 0.3405 0.3508 0.4139 -0.0028 -0.0198 -0.0022 905 TRP A CD2 \n1633 N NE1 . TRP A 213 ? 0.3245 0.3263 0.3950 -0.0033 -0.0264 -0.0015 905 TRP A NE1 \n1634 C CE2 . TRP A 213 ? 0.3770 0.3799 0.4463 -0.0038 -0.0254 -0.0014 905 TRP A CE2 \n1635 C CE3 . TRP A 213 ? 0.3516 0.3636 0.4242 -0.0031 -0.0182 -0.0022 905 TRP A CE3 \n1636 C CZ2 . TRP A 213 ? 0.3816 0.3788 0.4460 -0.0053 -0.0295 -0.0005 905 TRP A CZ2 \n1637 C CZ3 . TRP A 213 ? 0.3452 0.3513 0.4125 -0.0045 -0.0221 -0.0014 905 TRP A CZ3 \n1638 C CH2 . TRP A 213 ? 0.3738 0.3728 0.4373 -0.0057 -0.0277 -0.0005 905 TRP A CH2 \n1639 N N . GLU A 214 ? 0.2689 0.2858 0.3406 0.0004 -0.0046 -0.0030 906 GLU A N \n1640 C CA . GLU A 214 ? 0.3126 0.3240 0.3769 0.0009 -0.0037 -0.0028 906 GLU A CA \n1641 C C . GLU A 214 ? 0.3525 0.3579 0.4089 0.0023 0.0005 -0.0026 906 GLU A C \n1642 O O . GLU A 214 ? 0.3749 0.3710 0.4210 0.0027 0.0005 -0.0022 906 GLU A O \n1643 C CB . GLU A 214 ? 0.3406 0.3589 0.4104 0.0014 -0.0021 -0.0035 906 GLU A CB \n1644 C CG . GLU A 214 ? 0.3056 0.3293 0.3816 -0.0001 -0.0055 -0.0037 906 GLU A CG \n1645 C CD . GLU A 214 ? 0.2970 0.3255 0.3762 0.0000 -0.0038 -0.0042 906 GLU A CD \n1646 O OE1 . GLU A 214 ? 0.3344 0.3583 0.4081 -0.0002 -0.0050 -0.0039 906 GLU A OE1 \n1647 O OE2 . GLU A 214 ? 0.3234 0.3593 0.4098 0.0004 -0.0018 -0.0048 906 GLU A OE2 \n1648 N N . LEU A 215 ? 0.3417 0.3524 0.4031 0.0030 0.0044 -0.0027 907 LEU A N \n1649 C CA . LEU A 215 ? 0.3738 0.3807 0.4296 0.0042 0.0094 -0.0023 907 LEU A CA \n1650 C C . LEU A 215 ? 0.3713 0.3676 0.4163 0.0032 0.0087 -0.0015 907 LEU A C \n1651 O O . LEU A 215 ? 0.3895 0.3773 0.4240 0.0041 0.0110 -0.0013 907 LEU A O \n1652 C CB . LEU A 215 ? 0.3539 0.3695 0.4188 0.0045 0.0130 -0.0023 907 LEU A CB \n1653 C CG . LEU A 215 ? 0.3402 0.3647 0.4141 0.0056 0.0141 -0.0030 907 LEU A CG \n1654 C CD1 . LEU A 215 ? 0.3761 0.4074 0.4573 0.0058 0.0176 -0.0027 907 LEU A CD1 \n1655 C CD2 . LEU A 215 ? 0.3543 0.3759 0.4240 0.0076 0.0155 -0.0035 907 LEU A CD2 \n1656 N N . MET A 216 ? 0.4067 0.4030 0.4538 0.0015 0.0053 -0.0010 908 MET A N \n1657 C CA . MET A 216 ? 0.4104 0.3966 0.4477 0.0002 0.0039 -0.0001 908 MET A CA \n1658 C C . MET A 216 ? 0.4198 0.3949 0.4463 -0.0003 -0.0003 0.0001 908 MET A C \n1659 O O . MET A 216 ? 0.4184 0.3826 0.4337 -0.0013 -0.0011 0.0009 908 MET A O \n1660 C CB . MET A 216 ? 0.3638 0.3527 0.4068 -0.0011 0.0004 0.0001 908 MET A CB \n1661 C CG . MET A 216 ? 0.3814 0.3793 0.4335 -0.0011 0.0037 0.0000 908 MET A CG \n1662 S SD . MET A 216 ? 0.4694 0.4642 0.5153 -0.0015 0.0107 0.0012 908 MET A SD \n1663 C CE . MET A 216 ? 0.4280 0.4357 0.4878 -0.0014 0.0135 0.0011 908 MET A CE \n1664 N N . THR A 217 ? 0.4389 0.4162 0.4685 0.0000 -0.0035 -0.0003 909 THR A N \n1665 C CA . THR A 217 ? 0.4027 0.3697 0.4226 -0.0008 -0.0081 0.0000 909 THR A CA \n1666 C C . THR A 217 ? 0.4574 0.4193 0.4692 0.0007 -0.0048 -0.0003 909 THR A C \n1667 O O . THR A 217 ? 0.4372 0.3901 0.4403 0.0003 -0.0083 0.0000 909 THR A O \n1668 C CB . THR A 217 ? 0.3820 0.3542 0.4101 -0.0019 -0.0141 0.0000 909 THR A CB \n1669 O OG1 . THR A 217 ? 0.4039 0.3859 0.4407 -0.0011 -0.0119 -0.0007 909 THR A OG1 \n1670 C CG2 . THR A 217 ? 0.4312 0.4083 0.4678 -0.0030 -0.0179 0.0001 909 THR A CG2 \n1671 N N . PHE A 218 ? 0.4201 0.3877 0.4353 0.0027 0.0015 -0.0009 910 PHE A N \n1672 C CA . PHE A 218 ? 0.5089 0.4731 0.5182 0.0050 0.0051 -0.0017 910 PHE A CA \n1673 C C . PHE A 218 ? 0.4800 0.4459 0.4920 0.0049 0.0011 -0.0020 910 PHE A C \n1674 O O . PHE A 218 ? 0.4512 0.4083 0.4535 0.0058 0.0002 -0.0022 910 PHE A O \n1675 C CB . PHE A 218 ? 0.5081 0.4577 0.5008 0.0055 0.0068 -0.0014 910 PHE A CB \n1676 C CG . PHE A 218 ? 0.4744 0.4225 0.4641 0.0051 0.0112 -0.0009 910 PHE A CG \n1677 C CD1 . PHE A 218 ? 0.5609 0.5151 0.5545 0.0069 0.0188 -0.0014 910 PHE A CD1 \n1678 C CD2 . PHE A 218 ? 0.5242 0.4647 0.5075 0.0025 0.0075 0.0001 910 PHE A CD2 \n1679 C CE1 . PHE A 218 ? 0.5072 0.4603 0.4983 0.0059 0.0230 -0.0006 910 PHE A CE1 \n1680 C CE2 . PHE A 218 ? 0.5194 0.4576 0.4989 0.0016 0.0114 0.0008 910 PHE A CE2 \n1681 C CZ . PHE A 218 ? 0.5210 0.4657 0.5043 0.0031 0.0194 0.0005 910 PHE A CZ \n1682 N N . GLY A 219 ? 0.3825 0.3592 0.4070 0.0038 -0.0010 -0.0021 911 GLY A N \n1683 C CA . GLY A 219 ? 0.3826 0.3628 0.4111 0.0033 -0.0037 -0.0023 911 GLY A CA \n1684 C C . GLY A 219 ? 0.3959 0.3723 0.4225 0.0007 -0.0104 -0.0015 911 GLY A C \n1685 O O . GLY A 219 ? 0.3953 0.3699 0.4200 0.0001 -0.0128 -0.0014 911 GLY A O \n1686 N N . SER A 220 ? 0.4351 0.4103 0.4626 -0.0009 -0.0138 -0.0008 912 SER A N \n1687 C CA . SER A 220 ? 0.4092 0.3841 0.4392 -0.0036 -0.0204 0.0000 912 SER A CA \n1688 C C . SER A 220 ? 0.3741 0.3617 0.4173 -0.0046 -0.0210 -0.0003 912 SER A C \n1689 O O . SER A 220 ? 0.3525 0.3497 0.4044 -0.0036 -0.0173 -0.0012 912 SER A O \n1690 C CB . SER A 220 ? 0.4691 0.4409 0.4990 -0.0047 -0.0242 0.0006 912 SER A CB \n1691 O OG . SER A 220 ? 0.4822 0.4405 0.4979 -0.0044 -0.0243 0.0011 912 SER A OG \n1692 N N . LYS A 221 ? 0.4242 0.4114 0.4685 -0.0071 -0.0260 0.0004 913 LYS A N \n1693 C CA . LYS A 221 ? 0.4383 0.4369 0.4943 -0.0088 -0.0267 0.0003 913 LYS A CA \n1694 C C . LYS A 221 ? 0.4370 0.4437 0.5039 -0.0096 -0.0287 0.0001 913 LYS A C \n1695 O O . LYS A 221 ? 0.3920 0.3943 0.4578 -0.0108 -0.0336 0.0010 913 LYS A O \n1696 C CB . LYS A 221 ? 0.4642 0.4587 0.5165 -0.0115 -0.0311 0.0015 913 LYS A CB \n1697 C CG . LYS A 221 ? 0.5168 0.5046 0.5598 -0.0107 -0.0295 0.0014 913 LYS A CG \n1698 C CD . LYS A 221 ? 0.6868 0.6690 0.7250 -0.0139 -0.0348 0.0028 913 LYS A CD \n1699 C CE . LYS A 221 ? 0.7861 0.7795 0.8356 -0.0170 -0.0358 0.0033 913 LYS A CE \n1700 N NZ . LYS A 221 ? 0.9970 0.9850 1.0419 -0.0208 -0.0412 0.0050 913 LYS A NZ \n1701 N N . PRO A 222 ? 0.4009 0.4187 0.4782 -0.0087 -0.0253 -0.0009 914 PRO A N \n1702 C CA . PRO A 222 ? 0.3311 0.3559 0.4184 -0.0087 -0.0269 -0.0014 914 PRO A CA \n1703 C C . PRO A 222 ? 0.3990 0.4284 0.4934 -0.0113 -0.0314 -0.0007 914 PRO A C \n1704 O O . PRO A 222 ? 0.3790 0.4121 0.4752 -0.0133 -0.0311 -0.0003 914 PRO A O \n1705 C CB . PRO A 222 ? 0.3862 0.4207 0.4812 -0.0073 -0.0219 -0.0028 914 PRO A CB \n1706 C CG . PRO A 222 ? 0.3979 0.4332 0.4902 -0.0078 -0.0192 -0.0028 914 PRO A CG \n1707 C CD . PRO A 222 ? 0.3830 0.4067 0.4630 -0.0076 -0.0203 -0.0018 914 PRO A CD \n1708 N N . TYR A 223 ? 0.3786 0.4078 0.4770 -0.0115 -0.0358 -0.0004 915 TYR A N \n1709 C CA . TYR A 223 ? 0.3816 0.4160 0.4884 -0.0139 -0.0404 0.0002 915 TYR A CA \n1710 C C . TYR A 223 ? 0.4591 0.4876 0.5592 -0.0170 -0.0433 0.0020 915 TYR A C \n1711 O O . TYR A 223 ? 0.5290 0.5647 0.6359 -0.0196 -0.0439 0.0025 915 TYR A O \n1712 C CB . TYR A 223 ? 0.3680 0.4170 0.4885 -0.0140 -0.0372 -0.0009 915 TYR A CB \n1713 C CG . TYR A 223 ? 0.3113 0.3658 0.4369 -0.0109 -0.0332 -0.0029 915 TYR A CG \n1714 C CD1 . TYR A 223 ? 0.3498 0.4063 0.4818 -0.0091 -0.0357 -0.0037 915 TYR A CD1 \n1715 C CD2 . TYR A 223 ? 0.3966 0.4536 0.5204 -0.0098 -0.0275 -0.0039 915 TYR A CD2 \n1716 C CE1 . TYR A 223 ? 0.3620 0.4227 0.4979 -0.0063 -0.0324 -0.0055 915 TYR A CE1 \n1717 C CE2 . TYR A 223 ? 0.3334 0.3947 0.4613 -0.0073 -0.0244 -0.0056 915 TYR A CE2 \n1718 C CZ . TYR A 223 ? 0.3187 0.3816 0.4522 -0.0056 -0.0268 -0.0064 915 TYR A CZ \n1719 O OH . TYR A 223 ? 0.3887 0.4551 0.5258 -0.0032 -0.0240 -0.0080 915 TYR A OH \n1720 N N . ASP A 224 ? 0.5151 0.5301 0.6012 -0.0168 -0.0448 0.0028 916 ASP A N \n1721 C CA . ASP A 224 ? 0.5830 0.5895 0.6598 -0.0192 -0.0478 0.0044 916 ASP A CA \n1722 C C . ASP A 224 ? 0.5812 0.5897 0.6643 -0.0227 -0.0546 0.0060 916 ASP A C \n1723 O O . ASP A 224 ? 0.5600 0.5678 0.6470 -0.0227 -0.0590 0.0064 916 ASP A O \n1724 C CB . ASP A 224 ? 0.6434 0.6340 0.7037 -0.0178 -0.0487 0.0047 916 ASP A CB \n1725 C CG . ASP A 224 ? 0.6817 0.6618 0.7302 -0.0196 -0.0511 0.0059 916 ASP A CG \n1726 O OD1 . ASP A 224 ? 0.7661 0.7321 0.8011 -0.0192 -0.0537 0.0065 916 ASP A OD1 \n1727 O OD2 . ASP A 224 ? 0.5865 0.5715 0.6381 -0.0214 -0.0504 0.0062 916 ASP A OD2 \n1728 N N . GLY A 225 ? 0.6830 0.6945 0.7678 -0.0259 -0.0555 0.0071 917 GLY A N \n1729 C CA . GLY A 225 ? 0.9298 0.9438 1.0211 -0.0300 -0.0618 0.0090 917 GLY A CA \n1730 C C . GLY A 225 ? 0.8729 0.9039 0.9827 -0.0311 -0.0605 0.0086 917 GLY A C \n1731 O O . GLY A 225 ? 0.7563 0.7930 0.8731 -0.0350 -0.0633 0.0101 917 GLY A O \n1732 N N . ILE A 226 ? 0.7571 0.7962 0.8746 -0.0276 -0.0562 0.0065 918 ILE A N \n1733 C CA . ILE A 226 ? 0.5624 0.6176 0.6970 -0.0276 -0.0538 0.0054 918 ILE A CA \n1734 C C . ILE A 226 ? 0.6378 0.7016 0.7757 -0.0295 -0.0482 0.0051 918 ILE A C \n1735 O O . ILE A 226 ? 0.6158 0.6769 0.7463 -0.0279 -0.0433 0.0040 918 ILE A O \n1736 C CB . ILE A 226 ? 0.6731 0.7322 0.8133 -0.0232 -0.0514 0.0032 918 ILE A CB \n1737 C CG1 . ILE A 226 ? 0.7936 0.8458 0.9331 -0.0223 -0.0582 0.0038 918 ILE A CG1 \n1738 C CG2 . ILE A 226 ? 0.5529 0.6280 0.7088 -0.0225 -0.0475 0.0016 918 ILE A CG2 \n1739 C CD1 . ILE A 226 ? 0.9994 1.0506 1.1395 -0.0180 -0.0567 0.0020 918 ILE A CD1 \n1740 N N . PRO A 227 ? 0.6265 0.7005 0.7753 -0.0331 -0.0490 0.0060 919 PRO A N \n1741 C CA . PRO A 227 ? 0.5769 0.6580 0.7276 -0.0355 -0.0440 0.0060 919 PRO A CA \n1742 C C . PRO A 227 ? 0.5006 0.5904 0.6568 -0.0322 -0.0369 0.0032 919 PRO A C \n1743 O O . PRO A 227 ? 0.3791 0.4759 0.5452 -0.0292 -0.0361 0.0016 919 PRO A O \n1744 C CB . PRO A 227 ? 0.5345 0.6259 0.6978 -0.0400 -0.0464 0.0076 919 PRO A CB \n1745 C CG . PRO A 227 ? 0.6697 0.7568 0.8356 -0.0403 -0.0541 0.0090 919 PRO A CG \n1746 C CD . PRO A 227 ? 0.6948 0.7748 0.8556 -0.0350 -0.0544 0.0072 919 PRO A CD \n1747 N N . ALA A 228 ? 0.4646 0.5533 0.6142 -0.0326 -0.0323 0.0028 920 ALA A N \n1748 C CA . ALA A 228 ? 0.5895 0.6847 0.7422 -0.0299 -0.0259 0.0004 920 ALA A CA \n1749 C C . ALA A 228 ? 0.5724 0.6819 0.7400 -0.0302 -0.0230 -0.0008 920 ALA A C \n1750 O O . ALA A 228 ? 0.4040 0.5184 0.5764 -0.0265 -0.0196 -0.0031 920 ALA A O \n1751 C CB . ALA A 228 ? 0.4500 0.5418 0.5939 -0.0313 -0.0225 0.0005 920 ALA A CB \n1752 N N . SER A 229 ? 0.4367 0.5529 0.6115 -0.0345 -0.0245 0.0007 921 SER A N \n1753 C CA . SER A 229 ? 0.3859 0.5166 0.5758 -0.0347 -0.0213 -0.0004 921 SER A CA \n1754 C C . SER A 229 ? 0.4132 0.5485 0.6137 -0.0305 -0.0235 -0.0019 921 SER A C \n1755 O O . SER A 229 ? 0.4524 0.5991 0.6648 -0.0288 -0.0199 -0.0038 921 SER A O \n1756 C CB . SER A 229 ? 0.4430 0.5803 0.6390 -0.0408 -0.0224 0.0019 921 SER A CB \n1757 O OG . SER A 229 ? 0.4650 0.5994 0.6640 -0.0425 -0.0297 0.0041 921 SER A OG \n1758 N N . GLU A 230 ? 0.3843 0.5101 0.5800 -0.0287 -0.0293 -0.0012 922 GLU A N \n1759 C CA . GLU A 230 ? 0.3692 0.4972 0.5734 -0.0249 -0.0326 -0.0024 922 GLU A CA \n1760 C C . GLU A 230 ? 0.3093 0.4321 0.5081 -0.0197 -0.0304 -0.0047 922 GLU A C \n1761 O O . GLU A 230 ? 0.3589 0.4832 0.5641 -0.0162 -0.0327 -0.0061 922 GLU A O \n1762 C CB . GLU A 230 ? 0.4492 0.5692 0.6514 -0.0264 -0.0410 0.0000 922 GLU A CB \n1763 C CG . GLU A 230 ? 0.6298 0.7560 0.8406 -0.0314 -0.0447 0.0023 922 GLU A CG \n1764 C CD . GLU A 230 ? 0.8229 0.9618 1.0526 -0.0303 -0.0466 0.0016 922 GLU A CD \n1765 O OE1 . GLU A 230 ? 1.0418 1.1820 1.2778 -0.0336 -0.0528 0.0039 922 GLU A OE1 \n1766 O OE2 . GLU A 230 ? 0.6964 0.8438 0.9349 -0.0262 -0.0423 -0.0012 922 GLU A OE2 \n1767 N N . ILE A 231 ? 0.3651 0.4822 0.5528 -0.0193 -0.0265 -0.0051 923 ILE A N \n1768 C CA . ILE A 231 ? 0.2896 0.4007 0.4713 -0.0150 -0.0251 -0.0068 923 ILE A CA \n1769 C C . ILE A 231 ? 0.2475 0.3669 0.4386 -0.0112 -0.0218 -0.0097 923 ILE A C \n1770 O O . ILE A 231 ? 0.3079 0.4240 0.4996 -0.0078 -0.0241 -0.0107 923 ILE A O \n1771 C CB . ILE A 231 ? 0.3691 0.4725 0.5378 -0.0153 -0.0218 -0.0065 923 ILE A CB \n1772 C CG1 . ILE A 231 ? 0.3609 0.4530 0.5184 -0.0174 -0.0259 -0.0042 923 ILE A CG1 \n1773 C CG2 . ILE A 231 ? 0.3133 0.4137 0.4786 -0.0113 -0.0194 -0.0084 923 ILE A CG2 \n1774 C CD1 . ILE A 231 ? 0.3295 0.4124 0.4823 -0.0156 -0.0307 -0.0036 923 ILE A CD1 \n1775 N N . SER A 232 ? 0.2474 0.3767 0.4447 -0.0119 -0.0165 -0.0110 924 SER A N \n1776 C CA . SER A 232 ? 0.3373 0.4737 0.5427 -0.0080 -0.0132 -0.0140 924 SER A CA \n1777 C C . SER A 232 ? 0.3233 0.4644 0.5406 -0.0054 -0.0174 -0.0148 924 SER A C \n1778 O O . SER A 232 ? 0.2494 0.3900 0.4691 -0.0011 -0.0177 -0.0169 924 SER A O \n1779 C CB . SER A 232 ? 0.3770 0.5230 0.5867 -0.0094 -0.0067 -0.0152 924 SER A CB \n1780 O OG . SER A 232 ? 0.4008 0.5566 0.6213 -0.0122 -0.0068 -0.0144 924 SER A OG \n1781 N N . SER A 233 ? 0.3645 0.5099 0.5894 -0.0081 -0.0213 -0.0130 925 SER A N \n1782 C CA . SER A 233 ? 0.3453 0.4953 0.5824 -0.0053 -0.0258 -0.0139 925 SER A CA \n1783 C C . SER A 233 ? 0.3232 0.4611 0.5533 -0.0031 -0.0322 -0.0133 925 SER A C \n1784 O O . SER A 233 ? 0.3018 0.4398 0.5371 0.0010 -0.0345 -0.0151 925 SER A O \n1785 C CB . SER A 233 ? 0.4625 0.6213 0.7116 -0.0088 -0.0286 -0.0121 925 SER A CB \n1786 O OG . SER A 233 ? 0.5599 0.7102 0.8006 -0.0131 -0.0334 -0.0088 925 SER A OG \n1787 N N . ILE A 234 ? 0.3309 0.4573 0.5478 -0.0057 -0.0348 -0.0109 926 ILE A N \n1788 C CA . ILE A 234 ? 0.4040 0.5173 0.6111 -0.0042 -0.0398 -0.0102 926 ILE A CA \n1789 C C . ILE A 234 ? 0.3330 0.4431 0.5359 -0.0001 -0.0369 -0.0124 926 ILE A C \n1790 O O . ILE A 234 ? 0.3135 0.4201 0.5182 0.0029 -0.0407 -0.0133 926 ILE A O \n1791 C CB . ILE A 234 ? 0.4687 0.5711 0.6618 -0.0078 -0.0415 -0.0074 926 ILE A CB \n1792 C CG1 . ILE A 234 ? 0.5209 0.6210 0.7167 -0.0106 -0.0488 -0.0051 926 ILE A CG1 \n1793 C CG2 . ILE A 234 ? 0.5683 0.6582 0.7473 -0.0062 -0.0414 -0.0074 926 ILE A CG2 \n1794 C CD1 . ILE A 234 ? 0.6916 0.7819 0.8747 -0.0145 -0.0505 -0.0025 926 ILE A CD1 \n1795 N N . LEU A 235 ? 0.3673 0.4783 0.5647 -0.0001 -0.0306 -0.0133 927 LEU A N \n1796 C CA . LEU A 235 ? 0.3098 0.4185 0.5038 0.0032 -0.0276 -0.0153 927 LEU A CA \n1797 C C . LEU A 235 ? 0.2829 0.3989 0.4882 0.0072 -0.0275 -0.0181 927 LEU A C \n1798 O O . LEU A 235 ? 0.3000 0.4108 0.5032 0.0103 -0.0293 -0.0193 927 LEU A O \n1799 C CB . LEU A 235 ? 0.2930 0.4030 0.4813 0.0021 -0.0212 -0.0158 927 LEU A CB \n1800 C CG . LEU A 235 ? 0.3192 0.4211 0.4957 -0.0007 -0.0210 -0.0134 927 LEU A CG \n1801 C CD1 . LEU A 235 ? 0.3372 0.4409 0.5093 -0.0016 -0.0153 -0.0139 927 LEU A CD1 \n1802 C CD2 . LEU A 235 ? 0.3026 0.3933 0.4701 0.0004 -0.0241 -0.0126 927 LEU A CD2 \n1803 N N . GLU A 236 ? 0.3537 0.4815 0.5708 0.0070 -0.0252 -0.0192 928 GLU A N \n1804 C CA . GLU A 236 ? 0.3738 0.5098 0.6029 0.0112 -0.0245 -0.0222 928 GLU A CA \n1805 C C . GLU A 236 ? 0.4014 0.5346 0.6364 0.0138 -0.0318 -0.0222 928 GLU A C \n1806 O O . GLU A 236 ? 0.3668 0.5009 0.6066 0.0183 -0.0326 -0.0247 928 GLU A O \n1807 C CB . GLU A 236 ? 0.3825 0.5325 0.6235 0.0100 -0.0200 -0.0231 928 GLU A CB \n1808 C CG . GLU A 236 ? 0.4376 0.5914 0.6746 0.0090 -0.0121 -0.0243 928 GLU A CG \n1809 C CD . GLU A 236 ? 0.7449 0.9105 0.9904 0.0059 -0.0078 -0.0240 928 GLU A CD \n1810 O OE1 . GLU A 236 ? 0.8096 0.9807 1.0555 0.0063 -0.0011 -0.0260 928 GLU A OE1 \n1811 O OE2 . GLU A 236 ? 0.6572 0.8261 0.9083 0.0027 -0.0111 -0.0218 928 GLU A OE2 \n1812 N N . LYS A 237 ? 0.3971 0.5260 0.6309 0.0110 -0.0376 -0.0195 929 LYS A N \n1813 C CA . LYS A 237 ? 0.4089 0.5329 0.6464 0.0130 -0.0457 -0.0192 929 LYS A CA \n1814 C C . LYS A 237 ? 0.4814 0.5910 0.7058 0.0144 -0.0490 -0.0189 929 LYS A C \n1815 O O . LYS A 237 ? 0.4509 0.5543 0.6760 0.0162 -0.0559 -0.0187 929 LYS A O \n1816 C CB . LYS A 237 ? 0.5132 0.6365 0.7531 0.0092 -0.0513 -0.0163 929 LYS A CB \n1817 C CG . LYS A 237 ? 0.3792 0.5176 0.6348 0.0076 -0.0496 -0.0164 929 LYS A CG \n1818 C CD . LYS A 237 ? 0.7216 0.8580 0.9785 0.0033 -0.0558 -0.0131 929 LYS A CD \n1819 C CE . LYS A 237 ? 0.8811 1.0133 1.1438 0.0052 -0.0653 -0.0126 929 LYS A CE \n1820 N NZ . LYS A 237 ? 0.8529 0.9825 1.1168 0.0007 -0.0722 -0.0093 929 LYS A NZ \n1821 N N . GLY A 238 ? 0.3690 0.4731 0.5814 0.0135 -0.0443 -0.0187 930 GLY A N \n1822 C CA . GLY A 238 ? 0.4023 0.4936 0.6022 0.0142 -0.0462 -0.0182 930 GLY A CA \n1823 C C . GLY A 238 ? 0.4049 0.4849 0.5916 0.0107 -0.0484 -0.0151 930 GLY A C \n1824 O O . GLY A 238 ? 0.4413 0.5104 0.6172 0.0108 -0.0499 -0.0144 930 GLY A O \n1825 N N . GLU A 239 ? 0.3176 0.3997 0.5045 0.0074 -0.0486 -0.0133 931 GLU A N \n1826 C CA . GLU A 239 ? 0.3345 0.4052 0.5084 0.0043 -0.0509 -0.0106 931 GLU A CA \n1827 C C . GLU A 239 ? 0.2811 0.3485 0.4443 0.0032 -0.0447 -0.0103 931 GLU A C \n1828 O O . GLU A 239 ? 0.2834 0.3590 0.4505 0.0033 -0.0390 -0.0114 931 GLU A O \n1829 C CB . GLU A 239 ? 0.3812 0.4543 0.5582 0.0011 -0.0537 -0.0088 931 GLU A CB \n1830 C CG . GLU A 239 ? 0.5529 0.6132 0.7156 -0.0018 -0.0564 -0.0062 931 GLU A CG \n1831 C CD . GLU A 239 ? 0.7991 0.8607 0.9648 -0.0051 -0.0605 -0.0043 931 GLU A CD \n1832 O OE1 . GLU A 239 ? 0.5916 0.6628 0.7715 -0.0050 -0.0632 -0.0047 931 GLU A OE1 \n1833 O OE2 . GLU A 239 ? 0.6145 0.6674 0.7686 -0.0078 -0.0609 -0.0024 931 GLU A OE2 \n1834 N N . ARG A 240 ? 0.3370 0.3922 0.4871 0.0023 -0.0458 -0.0088 932 ARG A N \n1835 C CA . ARG A 240 ? 0.2919 0.3436 0.4323 0.0017 -0.0401 -0.0085 932 ARG A CA \n1836 C C . ARG A 240 ? 0.3610 0.4019 0.4887 -0.0006 -0.0412 -0.0063 932 ARG A C \n1837 O O . ARG A 240 ? 0.3586 0.3928 0.4831 -0.0017 -0.0468 -0.0050 932 ARG A O \n1838 C CB . ARG A 240 ? 0.2782 0.3264 0.4157 0.0038 -0.0389 -0.0094 932 ARG A CB \n1839 C CG . ARG A 240 ? 0.2771 0.3344 0.4244 0.0064 -0.0365 -0.0119 932 ARG A CG \n1840 C CD . ARG A 240 ? 0.2802 0.3471 0.4322 0.0060 -0.0307 -0.0128 932 ARG A CD \n1841 N NE . ARG A 240 ? 0.2848 0.3588 0.4443 0.0085 -0.0284 -0.0153 932 ARG A NE \n1842 C CZ . ARG A 240 ? 0.4712 0.5539 0.6418 0.0102 -0.0289 -0.0170 932 ARG A CZ \n1843 N NH1 . ARG A 240 ? 0.3682 0.4558 0.5437 0.0128 -0.0263 -0.0194 932 ARG A NH1 \n1844 N NH2 . ARG A 240 ? 0.2781 0.3644 0.4549 0.0092 -0.0320 -0.0164 932 ARG A NH2 \n1845 N N . LEU A 241 ? 0.3078 0.3466 0.4280 -0.0012 -0.0361 -0.0059 933 LEU A N \n1846 C CA . LEU A 241 ? 0.2899 0.3176 0.3970 -0.0027 -0.0364 -0.0041 933 LEU A CA \n1847 C C . LEU A 241 ? 0.3058 0.3227 0.4047 -0.0023 -0.0394 -0.0034 933 LEU A C \n1848 O O . LEU A 241 ? 0.3728 0.3908 0.4740 -0.0009 -0.0387 -0.0043 933 LEU A O \n1849 C CB . LEU A 241 ? 0.3298 0.3583 0.4320 -0.0027 -0.0300 -0.0042 933 LEU A CB \n1850 C CG . LEU A 241 ? 0.3165 0.3533 0.4242 -0.0035 -0.0275 -0.0046 933 LEU A CG \n1851 C CD1 . LEU A 241 ? 0.2743 0.3138 0.3803 -0.0028 -0.0215 -0.0051 933 LEU A CD1 \n1852 C CD2 . LEU A 241 ? 0.2660 0.2977 0.3685 -0.0057 -0.0305 -0.0031 933 LEU A CD2 \n1853 N N . PRO A 242 ? 0.3400 0.3455 0.4284 -0.0038 -0.0431 -0.0019 934 PRO A N \n1854 C CA . PRO A 242 ? 0.3738 0.3673 0.4527 -0.0040 -0.0467 -0.0010 934 PRO A CA \n1855 C C . PRO A 242 ? 0.3860 0.3737 0.4550 -0.0038 -0.0414 -0.0007 934 PRO A C \n1856 O O . PRO A 242 ? 0.3631 0.3536 0.4301 -0.0037 -0.0355 -0.0008 934 PRO A O \n1857 C CB . PRO A 242 ? 0.4855 0.4687 0.5552 -0.0060 -0.0515 0.0005 934 PRO A CB \n1858 C CG . PRO A 242 ? 0.4641 0.4511 0.5333 -0.0067 -0.0477 0.0006 934 PRO A CG \n1859 C CD . PRO A 242 ? 0.4178 0.4205 0.5020 -0.0057 -0.0444 -0.0008 934 PRO A CD \n1860 N N . GLN A 243 ? 0.3725 0.3520 0.4355 -0.0039 -0.0438 -0.0002 935 GLN A N \n1861 C CA . GLN A 243 ? 0.3597 0.3326 0.4125 -0.0044 -0.0391 0.0004 935 GLN A CA \n1862 C C . GLN A 243 ? 0.4123 0.3765 0.4521 -0.0055 -0.0361 0.0014 935 GLN A C \n1863 O O . GLN A 243 ? 0.4729 0.4268 0.5038 -0.0067 -0.0406 0.0024 935 GLN A O \n1864 C CB . GLN A 243 ? 0.4106 0.3739 0.4573 -0.0050 -0.0433 0.0010 935 GLN A CB \n1865 C CG . GLN A 243 ? 0.4792 0.4350 0.5146 -0.0062 -0.0384 0.0021 935 GLN A CG \n1866 C CD . GLN A 243 ? 0.5311 0.4771 0.5601 -0.0073 -0.0429 0.0029 935 GLN A CD \n1867 O OE1 . GLN A 243 ? 0.4912 0.4363 0.5251 -0.0066 -0.0498 0.0024 935 GLN A OE1 \n1868 N NE2 . GLN A 243 ? 0.4526 0.3909 0.4705 -0.0090 -0.0389 0.0041 935 GLN A NE2 \n1869 N N . PRO A 244 ? 0.4594 0.4274 0.4979 -0.0050 -0.0287 0.0012 936 PRO A N \n1870 C CA . PRO A 244 ? 0.5057 0.4650 0.5315 -0.0055 -0.0253 0.0020 936 PRO A CA \n1871 C C . PRO A 244 ? 0.4791 0.4243 0.4903 -0.0069 -0.0259 0.0032 936 PRO A C \n1872 O O . PRO A 244 ? 0.4662 0.4112 0.4781 -0.0074 -0.0254 0.0035 936 PRO A O \n1873 C CB . PRO A 244 ? 0.4335 0.4017 0.4640 -0.0042 -0.0175 0.0013 936 PRO A CB \n1874 C CG . PRO A 244 ? 0.4068 0.3886 0.4528 -0.0033 -0.0181 0.0001 936 PRO A CG \n1875 C CD . PRO A 244 ? 0.4467 0.4272 0.4960 -0.0038 -0.0236 0.0002 936 PRO A CD \n1876 N N . PRO A 245 ? 0.5087 0.4411 0.5060 -0.0077 -0.0275 0.0040 937 PRO A N \n1877 C CA . PRO A 245 ? 0.5432 0.4601 0.5243 -0.0094 -0.0283 0.0052 937 PRO A CA \n1878 C C . PRO A 245 ? 0.5480 0.4646 0.5246 -0.0098 -0.0208 0.0056 937 PRO A C \n1879 O O . PRO A 245 ? 0.5174 0.4251 0.4857 -0.0116 -0.0221 0.0066 937 PRO A O \n1880 C CB . PRO A 245 ? 0.6300 0.5356 0.5977 -0.0096 -0.0290 0.0056 937 PRO A CB \n1881 C CG . PRO A 245 ? 0.6278 0.5407 0.6057 -0.0090 -0.0335 0.0050 937 PRO A CG \n1882 C CD . PRO A 245 ? 0.5241 0.4550 0.5202 -0.0076 -0.0303 0.0038 937 PRO A CD \n1883 N N . ILE A 246 ? 0.4624 0.3885 0.4447 -0.0082 -0.0132 0.0048 938 ILE A N \n1884 C CA . ILE A 246 ? 0.5111 0.4384 0.4909 -0.0087 -0.0057 0.0053 938 ILE A CA \n1885 C C . ILE A 246 ? 0.4991 0.4352 0.4899 -0.0094 -0.0059 0.0055 938 ILE A C \n1886 O O . ILE A 246 ? 0.5462 0.4816 0.5341 -0.0108 -0.0012 0.0064 938 ILE A O \n1887 C CB . ILE A 246 ? 0.4503 0.3843 0.4324 -0.0066 0.0023 0.0045 938 ILE A CB \n1888 C CG1 . ILE A 246 ? 0.4676 0.4175 0.4670 -0.0048 0.0028 0.0033 938 ILE A CG1 \n1889 C CG2 . ILE A 246 ? 0.4951 0.4185 0.4642 -0.0056 0.0030 0.0042 938 ILE A CG2 \n1890 C CD1 . ILE A 246 ? 0.4473 0.4052 0.4513 -0.0028 0.0106 0.0027 938 ILE A CD1 \n1891 N N . CYS A 247 ? 0.4487 0.3927 0.4517 -0.0087 -0.0111 0.0047 939 CYS A N \n1892 C CA . CYS A 247 ? 0.4063 0.3590 0.4199 -0.0088 -0.0109 0.0046 939 CYS A CA \n1893 C C . CYS A 247 ? 0.4783 0.4225 0.4869 -0.0106 -0.0163 0.0055 939 CYS A C \n1894 O O . CYS A 247 ? 0.4223 0.3602 0.4285 -0.0107 -0.0235 0.0054 939 CYS A O \n1895 C CB . CYS A 247 ? 0.4085 0.3738 0.4375 -0.0069 -0.0134 0.0030 939 CYS A CB \n1896 S SG . CYS A 247 ? 0.4672 0.4438 0.5041 -0.0049 -0.0079 0.0019 939 CYS A SG \n1897 N N . THR A 248 ? 0.4268 0.3711 0.4347 -0.0122 -0.0135 0.0064 940 THR A N \n1898 C CA . THR A 248 ? 0.4738 0.4124 0.4804 -0.0135 -0.0195 0.0069 940 THR A CA \n1899 C C . THR A 248 ? 0.4529 0.4015 0.4741 -0.0112 -0.0242 0.0052 940 THR A C \n1900 O O . THR A 248 ? 0.4292 0.3897 0.4614 -0.0092 -0.0214 0.0039 940 THR A O \n1901 C CB . THR A 248 ? 0.4720 0.4094 0.4756 -0.0160 -0.0157 0.0083 940 THR A CB \n1902 O OG1 . THR A 248 ? 0.5134 0.4647 0.5296 -0.0150 -0.0107 0.0077 940 THR A OG1 \n1903 C CG2 . THR A 248 ? 0.5448 0.4722 0.5334 -0.0186 -0.0103 0.0101 940 THR A CG2 \n1904 N N . ILE A 249 ? 0.4422 0.3856 0.4634 -0.0113 -0.0311 0.0051 941 ILE A N \n1905 C CA . ILE A 249 ? 0.4685 0.4208 0.5033 -0.0088 -0.0354 0.0033 941 ILE A CA \n1906 C C . ILE A 249 ? 0.3739 0.3375 0.4188 -0.0080 -0.0310 0.0025 941 ILE A C \n1907 O O . ILE A 249 ? 0.4088 0.3826 0.4655 -0.0055 -0.0315 0.0006 941 ILE A O \n1908 C CB . ILE A 249 ? 0.5309 0.4744 0.5633 -0.0086 -0.0441 0.0032 941 ILE A CB \n1909 C CG1 . ILE A 249 ? 0.5203 0.4730 0.5671 -0.0052 -0.0487 0.0009 941 ILE A CG1 \n1910 C CG2 . ILE A 249 ? 0.4799 0.4164 0.5060 -0.0108 -0.0446 0.0044 941 ILE A CG2 \n1911 C CD1 . ILE A 249 ? 0.5661 0.5217 0.6170 -0.0039 -0.0513 0.0002 941 ILE A CD1 \n1912 N N . ASP A 250 ? 0.4504 0.4121 0.4907 -0.0103 -0.0267 0.0039 942 ASP A N \n1913 C CA . ASP A 250 ? 0.4483 0.4198 0.4973 -0.0101 -0.0227 0.0036 942 ASP A CA \n1914 C C . ASP A 250 ? 0.4059 0.3893 0.4639 -0.0082 -0.0180 0.0024 942 ASP A C \n1915 O O . ASP A 250 ? 0.3842 0.3769 0.4524 -0.0066 -0.0176 0.0010 942 ASP A O \n1916 C CB . ASP A 250 ? 0.4351 0.4026 0.4771 -0.0135 -0.0182 0.0058 942 ASP A CB \n1917 C CG . ASP A 250 ? 0.7314 0.6852 0.7615 -0.0162 -0.0222 0.0075 942 ASP A CG \n1918 O OD1 . ASP A 250 ? 0.7083 0.6600 0.7396 -0.0171 -0.0256 0.0077 942 ASP A OD1 \n1919 O OD2 . ASP A 250 ? 0.7888 0.7329 0.8076 -0.0175 -0.0225 0.0085 942 ASP A OD2 \n1920 N N . VAL A 251 ? 0.3904 0.3725 0.4435 -0.0084 -0.0145 0.0029 943 VAL A N \n1921 C CA . VAL A 251 ? 0.4005 0.3923 0.4606 -0.0067 -0.0103 0.0019 943 VAL A CA \n1922 C C . VAL A 251 ? 0.3956 0.3920 0.4626 -0.0045 -0.0144 0.0001 943 VAL A C \n1923 O O . VAL A 251 ? 0.3553 0.3615 0.4318 -0.0030 -0.0130 -0.0011 943 VAL A O \n1924 C CB . VAL A 251 ? 0.4723 0.4608 0.5246 -0.0073 -0.0053 0.0028 943 VAL A CB \n1925 C CG1 . VAL A 251 ? 0.4211 0.4182 0.4801 -0.0053 -0.0025 0.0017 943 VAL A CG1 \n1926 C CG2 . VAL A 251 ? 0.4546 0.4418 0.5030 -0.0094 0.0000 0.0045 943 VAL A CG2 \n1927 N N . TYR A 252 ? 0.3898 0.3791 0.4520 -0.0044 -0.0194 0.0001 944 TYR A N \n1928 C CA . TYR A 252 ? 0.3769 0.3711 0.4468 -0.0026 -0.0235 -0.0013 944 TYR A CA \n1929 C C . TYR A 252 ? 0.3481 0.3498 0.4287 -0.0009 -0.0257 -0.0030 944 TYR A C \n1930 O O . TYR A 252 ? 0.3501 0.3607 0.4398 0.0006 -0.0255 -0.0045 944 TYR A O \n1931 C CB . TYR A 252 ? 0.3798 0.3645 0.4429 -0.0031 -0.0292 -0.0007 944 TYR A CB \n1932 C CG . TYR A 252 ? 0.3995 0.3896 0.4709 -0.0017 -0.0333 -0.0019 944 TYR A CG \n1933 C CD1 . TYR A 252 ? 0.4645 0.4512 0.5382 -0.0011 -0.0404 -0.0023 944 TYR A CD1 \n1934 C CD2 . TYR A 252 ? 0.3556 0.3542 0.4328 -0.0011 -0.0303 -0.0026 944 TYR A CD2 \n1935 C CE1 . TYR A 252 ? 0.4129 0.4057 0.4955 0.0000 -0.0440 -0.0033 944 TYR A CE1 \n1936 C CE2 . TYR A 252 ? 0.3535 0.3574 0.4384 -0.0004 -0.0338 -0.0035 944 TYR A CE2 \n1937 C CZ . TYR A 252 ? 0.3918 0.3934 0.4799 0.0000 -0.0404 -0.0038 944 TYR A CZ \n1938 O OH . TYR A 252 ? 0.3729 0.3809 0.4701 0.0006 -0.0436 -0.0045 944 TYR A OH \n1939 N N . MET A 253 ? 0.3341 0.3315 0.4130 -0.0013 -0.0277 -0.0027 945 MET A N \n1940 C CA . MET A 253 ? 0.3745 0.3777 0.4624 0.0005 -0.0298 -0.0045 945 MET A CA \n1941 C C . MET A 253 ? 0.4277 0.4414 0.5232 0.0013 -0.0248 -0.0055 945 MET A C \n1942 O O . MET A 253 ? 0.3191 0.3397 0.4229 0.0034 -0.0257 -0.0074 945 MET A O \n1943 C CB . MET A 253 ? 0.4580 0.4539 0.5413 -0.0002 -0.0324 -0.0038 945 MET A CB \n1944 C CG . MET A 253 ? 0.6840 0.6707 0.7634 0.0001 -0.0396 -0.0038 945 MET A CG \n1945 S SD . MET A 253 ? 0.8264 0.8198 0.9181 0.0042 -0.0448 -0.0067 945 MET A SD \n1946 C CE . MET A 253 ? 0.3997 0.3933 0.4910 0.0038 -0.0461 -0.0062 945 MET A CE \n1947 N N . ILE A 254 ? 0.3490 0.3635 0.4413 -0.0003 -0.0197 -0.0041 946 ILE A N \n1948 C CA . ILE A 254 ? 0.3593 0.3830 0.4583 0.0002 -0.0157 -0.0049 946 ILE A CA \n1949 C C . ILE A 254 ? 0.2666 0.2970 0.3711 0.0016 -0.0151 -0.0063 946 ILE A C \n1950 O O . ILE A 254 ? 0.2907 0.3281 0.4023 0.0029 -0.0146 -0.0079 946 ILE A O \n1951 C CB . ILE A 254 ? 0.4030 0.4269 0.4986 -0.0015 -0.0104 -0.0032 946 ILE A CB \n1952 C CG1 . ILE A 254 ? 0.4918 0.5097 0.5824 -0.0036 -0.0105 -0.0015 946 ILE A CG1 \n1953 C CG2 . ILE A 254 ? 0.4208 0.4537 0.5237 -0.0009 -0.0071 -0.0039 946 ILE A CG2 \n1954 C CD1 . ILE A 254 ? 0.4936 0.5123 0.5817 -0.0055 -0.0050 0.0002 946 ILE A CD1 \n1955 N N . MET A 255 ? 0.2721 0.2998 0.3724 0.0011 -0.0150 -0.0055 947 MET A N \n1956 C CA . MET A 255 ? 0.3375 0.3705 0.4419 0.0018 -0.0148 -0.0064 947 MET A CA \n1957 C C . MET A 255 ? 0.3105 0.3476 0.4224 0.0034 -0.0187 -0.0082 947 MET A C \n1958 O O . MET A 255 ? 0.3151 0.3602 0.4341 0.0042 -0.0174 -0.0095 947 MET A O \n1959 C CB . MET A 255 ? 0.3529 0.3795 0.4500 0.0009 -0.0158 -0.0052 947 MET A CB \n1960 C CG . MET A 255 ? 0.4305 0.4561 0.5225 0.0002 -0.0111 -0.0042 947 MET A CG \n1961 S SD . MET A 255 ? 0.4945 0.5092 0.5749 -0.0007 -0.0128 -0.0029 947 MET A SD \n1962 C CE . MET A 255 ? 0.4628 0.4691 0.5341 -0.0018 -0.0106 -0.0014 947 MET A CE \n1963 N N . VAL A 256 ? 0.3054 0.3368 0.4157 0.0038 -0.0232 -0.0081 948 VAL A N \n1964 C CA . VAL A 256 ? 0.3051 0.3404 0.4234 0.0058 -0.0272 -0.0099 948 VAL A CA \n1965 C C . VAL A 256 ? 0.2706 0.3128 0.3961 0.0076 -0.0255 -0.0119 948 VAL A C \n1966 O O . VAL A 256 ? 0.2795 0.3292 0.4130 0.0091 -0.0254 -0.0137 948 VAL A O \n1967 C CB . VAL A 256 ? 0.3994 0.4260 0.5141 0.0061 -0.0333 -0.0095 948 VAL A CB \n1968 C CG1 . VAL A 256 ? 0.3537 0.3849 0.4780 0.0089 -0.0372 -0.0116 948 VAL A CG1 \n1969 C CG2 . VAL A 256 ? 0.3693 0.3897 0.4779 0.0045 -0.0357 -0.0078 948 VAL A CG2 \n1970 N N . LYS A 257 ? 0.2985 0.3381 0.4208 0.0072 -0.0240 -0.0116 949 LYS A N \n1971 C CA . LYS A 257 ? 0.2857 0.3302 0.4128 0.0086 -0.0223 -0.0132 949 LYS A CA \n1972 C C . LYS A 257 ? 0.2561 0.3089 0.3874 0.0085 -0.0179 -0.0140 949 LYS A C \n1973 O O . LYS A 257 ? 0.2417 0.2999 0.3785 0.0102 -0.0172 -0.0160 949 LYS A O \n1974 C CB . LYS A 257 ? 0.3346 0.3740 0.4567 0.0074 -0.0217 -0.0121 949 LYS A CB \n1975 C CG . LYS A 257 ? 0.5919 0.6226 0.7095 0.0075 -0.0263 -0.0116 949 LYS A CG \n1976 C CD . LYS A 257 ? 0.6076 0.6343 0.7210 0.0057 -0.0255 -0.0104 949 LYS A CD \n1977 C CE . LYS A 257 ? 1.0073 1.0237 1.1137 0.0046 -0.0296 -0.0091 949 LYS A CE \n1978 N NZ . LYS A 257 ? 1.1220 1.1348 1.2242 0.0021 -0.0284 -0.0074 949 LYS A NZ \n1979 N N . CYS A 258 ? 0.2615 0.3145 0.3894 0.0066 -0.0151 -0.0124 950 CYS A N \n1980 C CA . CYS A 258 ? 0.1891 0.2487 0.3199 0.0062 -0.0115 -0.0129 950 CYS A CA \n1981 C C . CYS A 258 ? 0.2333 0.2987 0.3699 0.0070 -0.0121 -0.0143 950 CYS A C \n1982 O O . CYS A 258 ? 0.2581 0.3292 0.3977 0.0068 -0.0095 -0.0151 950 CYS A O \n1983 C CB . CYS A 258 ? 0.1817 0.2394 0.3076 0.0044 -0.0092 -0.0110 950 CYS A CB \n1984 S SG . CYS A 258 ? 0.2879 0.3421 0.4095 0.0033 -0.0067 -0.0094 950 CYS A SG \n1985 N N . TRP A 259 ? 0.2685 0.3323 0.4065 0.0076 -0.0156 -0.0143 951 TRP A N \n1986 C CA . TRP A 259 ? 0.2500 0.3201 0.3947 0.0080 -0.0163 -0.0154 951 TRP A CA \n1987 C C . TRP A 259 ? 0.2550 0.3290 0.4074 0.0106 -0.0185 -0.0176 951 TRP A C \n1988 O O . TRP A 259 ? 0.2780 0.3568 0.4371 0.0111 -0.0200 -0.0183 951 TRP A O \n1989 C CB . TRP A 259 ? 0.3021 0.3690 0.4443 0.0064 -0.0189 -0.0137 951 TRP A CB \n1990 C CG . TRP A 259 ? 0.2727 0.3348 0.4067 0.0043 -0.0170 -0.0117 951 TRP A CG \n1991 C CD1 . TRP A 259 ? 0.2509 0.3154 0.3830 0.0034 -0.0129 -0.0114 951 TRP A CD1 \n1992 C CD2 . TRP A 259 ? 0.2855 0.3392 0.4118 0.0032 -0.0192 -0.0099 951 TRP A CD2 \n1993 N NE1 . TRP A 259 ? 0.2531 0.3118 0.3778 0.0021 -0.0125 -0.0097 951 TRP A NE1 \n1994 C CE2 . TRP A 259 ? 0.3042 0.3560 0.4247 0.0019 -0.0160 -0.0088 951 TRP A CE2 \n1995 C CE3 . TRP A 259 ? 0.2200 0.2668 0.3433 0.0032 -0.0239 -0.0092 951 TRP A CE3 \n1996 C CZ2 . TRP A 259 ? 0.3191 0.3625 0.4305 0.0009 -0.0166 -0.0072 951 TRP A CZ2 \n1997 C CZ3 . TRP A 259 ? 0.2888 0.3267 0.4024 0.0018 -0.0248 -0.0074 951 TRP A CZ3 \n1998 C CH2 . TRP A 259 ? 0.2702 0.3065 0.3777 0.0008 -0.0208 -0.0065 951 TRP A CH2 \n1999 N N . MET A 260 ? 0.2803 0.3524 0.4324 0.0124 -0.0186 -0.0188 952 MET A N \n2000 C CA . MET A 260 ? 0.3206 0.3962 0.4796 0.0156 -0.0199 -0.0215 952 MET A CA \n2001 C C . MET A 260 ? 0.3135 0.3985 0.4790 0.0163 -0.0160 -0.0234 952 MET A C \n2002 O O . MET A 260 ? 0.2052 0.2924 0.3682 0.0147 -0.0120 -0.0232 952 MET A O \n2003 C CB . MET A 260 ? 0.3027 0.3728 0.4581 0.0171 -0.0209 -0.0222 952 MET A CB \n2004 C CG . MET A 260 ? 0.3817 0.4426 0.5316 0.0166 -0.0254 -0.0206 952 MET A CG \n2005 S SD . MET A 260 ? 0.5691 0.6234 0.7152 0.0182 -0.0273 -0.0215 952 MET A SD \n2006 C CE . MET A 260 ? 0.5642 0.6158 0.7029 0.0147 -0.0235 -0.0192 952 MET A CE \n2007 N N . ILE A 261 ? 0.2444 0.3353 0.4187 0.0186 -0.0171 -0.0253 953 ILE A N \n2008 C CA . ILE A 261 ? 0.2464 0.3464 0.4268 0.0192 -0.0127 -0.0273 953 ILE A CA \n2009 C C . ILE A 261 ? 0.2375 0.3371 0.4148 0.0204 -0.0091 -0.0291 953 ILE A C \n2010 O O . ILE A 261 ? 0.2538 0.3575 0.4301 0.0190 -0.0046 -0.0296 953 ILE A O \n2011 C CB . ILE A 261 ? 0.2516 0.3585 0.4435 0.0220 -0.0145 -0.0293 953 ILE A CB \n2012 C CG1 . ILE A 261 ? 0.4279 0.5360 0.6233 0.0200 -0.0180 -0.0271 953 ILE A CG1 \n2013 C CG2 . ILE A 261 ? 0.3298 0.4464 0.5282 0.0231 -0.0092 -0.0317 953 ILE A CG2 \n2014 C CD1 . ILE A 261 ? 0.4645 0.5735 0.6556 0.0155 -0.0158 -0.0247 953 ILE A CD1 \n2015 N N . ASP A 262 ? 0.2799 0.3733 0.4543 0.0228 -0.0116 -0.0301 954 ASP A N \n2016 C CA . ASP A 262 ? 0.2390 0.3298 0.4090 0.0239 -0.0094 -0.0316 954 ASP A CA \n2017 C C . ASP A 262 ? 0.2746 0.3605 0.4362 0.0205 -0.0083 -0.0292 954 ASP A C \n2018 O O . ASP A 262 ? 0.2880 0.3672 0.4450 0.0196 -0.0111 -0.0274 954 ASP A O \n2019 C CB . ASP A 262 ? 0.2858 0.3706 0.4551 0.0273 -0.0132 -0.0332 954 ASP A CB \n2020 C CG . ASP A 262 ? 0.4764 0.5571 0.6404 0.0284 -0.0118 -0.0348 954 ASP A CG \n2021 O OD1 . ASP A 262 ? 0.4484 0.5227 0.6102 0.0308 -0.0153 -0.0358 954 ASP A OD1 \n2022 O OD2 . ASP A 262 ? 0.5374 0.6203 0.6986 0.0268 -0.0077 -0.0349 954 ASP A OD2 \n2023 N N . ALA A 263 ? 0.2199 0.3094 0.3801 0.0186 -0.0042 -0.0291 955 ALA A N \n2024 C CA . ALA A 263 ? 0.2677 0.3534 0.4211 0.0155 -0.0033 -0.0268 955 ALA A CA \n2025 C C . ALA A 263 ? 0.2579 0.3369 0.4063 0.0158 -0.0049 -0.0266 955 ALA A C \n2026 O O . ALA A 263 ? 0.2919 0.3671 0.4362 0.0136 -0.0056 -0.0242 955 ALA A O \n2027 C CB . ALA A 263 ? 0.2795 0.3694 0.4320 0.0137 0.0007 -0.0271 955 ALA A CB \n2028 N N . ASP A 264 ? 0.2626 0.3402 0.4112 0.0185 -0.0052 -0.0292 956 ASP A N \n2029 C CA . ASP A 264 ? 0.3762 0.4467 0.5199 0.0189 -0.0074 -0.0292 956 ASP A CA \n2030 C C . ASP A 264 ? 0.4501 0.5148 0.5924 0.0187 -0.0116 -0.0275 956 ASP A C \n2031 O O . ASP A 264 ? 0.4075 0.4664 0.5452 0.0174 -0.0134 -0.0261 956 ASP A O \n2032 C CB . ASP A 264 ? 0.3350 0.4043 0.4784 0.0223 -0.0071 -0.0326 956 ASP A CB \n2033 C CG . ASP A 264 ? 0.3851 0.4571 0.5264 0.0217 -0.0030 -0.0340 956 ASP A CG \n2034 O OD1 . ASP A 264 ? 0.3800 0.4508 0.5174 0.0186 -0.0021 -0.0321 956 ASP A OD1 \n2035 O OD2 . ASP A 264 ? 0.3627 0.4378 0.5062 0.0245 -0.0007 -0.0371 956 ASP A OD2 \n2036 N N . SER A 265 ? 0.2736 0.3397 0.4196 0.0198 -0.0134 -0.0274 957 SER A N \n2037 C CA . SER A 265 ? 0.3603 0.4200 0.5038 0.0193 -0.0175 -0.0256 957 SER A CA \n2038 C C . SER A 265 ? 0.3157 0.3738 0.4558 0.0157 -0.0170 -0.0223 957 SER A C \n2039 O O . SER A 265 ? 0.3095 0.3614 0.4457 0.0146 -0.0197 -0.0205 957 SER A O \n2040 C CB . SER A 265 ? 0.4242 0.4844 0.5724 0.0222 -0.0206 -0.0271 957 SER A CB \n2041 O OG . SER A 265 ? 0.5549 0.6137 0.7048 0.0260 -0.0221 -0.0302 957 SER A OG \n2042 N N . ARG A 266 ? 0.2434 0.3067 0.3846 0.0140 -0.0135 -0.0214 958 ARG A N \n2043 C CA . ARG A 266 ? 0.2160 0.2783 0.3543 0.0113 -0.0126 -0.0187 958 ARG A CA \n2044 C C . ARG A 266 ? 0.2676 0.3259 0.4016 0.0094 -0.0122 -0.0170 958 ARG A C \n2045 O O . ARG A 266 ? 0.3145 0.3727 0.4485 0.0098 -0.0120 -0.0180 958 ARG A O \n2046 C CB . ARG A 266 ? 0.2130 0.2811 0.3528 0.0101 -0.0092 -0.0185 958 ARG A CB \n2047 C CG . ARG A 266 ? 0.2621 0.3349 0.4066 0.0111 -0.0094 -0.0196 958 ARG A CG \n2048 C CD . ARG A 266 ? 0.1952 0.2733 0.3407 0.0096 -0.0062 -0.0194 958 ARG A CD \n2049 N NE . ARG A 266 ? 0.2241 0.3079 0.3757 0.0107 -0.0063 -0.0210 958 ARG A NE \n2050 C CZ . ARG A 266 ? 0.2250 0.3146 0.3791 0.0100 -0.0034 -0.0218 958 ARG A CZ \n2051 N NH1 . ARG A 266 ? 0.2396 0.3349 0.4001 0.0109 -0.0033 -0.0232 958 ARG A NH1 \n2052 N NH2 . ARG A 266 ? 0.2306 0.3203 0.3809 0.0082 -0.0007 -0.0212 958 ARG A NH2 \n2053 N N . PRO A 267 ? 0.2599 0.3150 0.3904 0.0072 -0.0119 -0.0144 959 PRO A N \n2054 C CA . PRO A 267 ? 0.3095 0.3622 0.4373 0.0050 -0.0110 -0.0125 959 PRO A CA \n2055 C C . PRO A 267 ? 0.3162 0.3736 0.4461 0.0044 -0.0083 -0.0126 959 PRO A C \n2056 O O . PRO A 267 ? 0.3135 0.3754 0.4453 0.0050 -0.0065 -0.0135 959 PRO A O \n2057 C CB . PRO A 267 ? 0.2857 0.3361 0.4101 0.0032 -0.0098 -0.0101 959 PRO A CB \n2058 C CG . PRO A 267 ? 0.3652 0.4136 0.4887 0.0044 -0.0119 -0.0108 959 PRO A CG \n2059 C CD . PRO A 267 ? 0.2628 0.3169 0.3916 0.0065 -0.0120 -0.0132 959 PRO A CD \n2060 N N . LYS A 268 ? 0.3090 0.3651 0.4384 0.0029 -0.0083 -0.0114 960 LYS A N \n2061 C CA . LYS A 268 ? 0.3243 0.3840 0.4554 0.0019 -0.0063 -0.0110 960 LYS A CA \n2062 C C . LYS A 268 ? 0.3373 0.3984 0.4687 0.0001 -0.0040 -0.0085 960 LYS A C \n2063 O O . LYS A 268 ? 0.2986 0.3569 0.4281 -0.0009 -0.0039 -0.0069 960 LYS A O \n2064 C CB . LYS A 268 ? 0.3460 0.4037 0.4770 0.0013 -0.0082 -0.0112 960 LYS A CB \n2065 C CG . LYS A 268 ? 0.3999 0.4549 0.5296 0.0035 -0.0104 -0.0138 960 LYS A CG \n2066 C CD . LYS A 268 ? 0.4113 0.4702 0.5422 0.0052 -0.0087 -0.0162 960 LYS A CD \n2067 C CE . LYS A 268 ? 0.5469 0.6043 0.6777 0.0081 -0.0101 -0.0190 960 LYS A CE \n2068 N NZ . LYS A 268 ? 0.6675 0.7196 0.7954 0.0087 -0.0127 -0.0200 960 LYS A NZ \n2069 N N . PHE A 269 ? 0.2494 0.3142 0.3827 -0.0001 -0.0022 -0.0083 961 PHE A N \n2070 C CA . PHE A 269 ? 0.2747 0.3411 0.4089 -0.0010 0.0001 -0.0063 961 PHE A CA \n2071 C C . PHE A 269 ? 0.2178 0.2830 0.3531 -0.0030 0.0000 -0.0042 961 PHE A C \n2072 O O . PHE A 269 ? 0.2735 0.3384 0.4082 -0.0038 0.0020 -0.0026 961 PHE A O \n2073 C CB . PHE A 269 ? 0.3546 0.4246 0.4908 -0.0008 0.0013 -0.0065 961 PHE A CB \n2074 C CG . PHE A 269 ? 0.2468 0.3177 0.3813 0.0003 0.0022 -0.0077 961 PHE A CG \n2075 C CD1 . PHE A 269 ? 0.2357 0.3056 0.3680 0.0006 0.0035 -0.0072 961 PHE A CD1 \n2076 C CD2 . PHE A 269 ? 0.2366 0.3090 0.3711 0.0006 0.0016 -0.0093 961 PHE A CD2 \n2077 C CE1 . PHE A 269 ? 0.2628 0.3330 0.3934 0.0013 0.0037 -0.0081 961 PHE A CE1 \n2078 C CE2 . PHE A 269 ? 0.2751 0.3487 0.4084 0.0011 0.0024 -0.0101 961 PHE A CE2 \n2079 C CZ . PHE A 269 ? 0.2538 0.3264 0.3854 0.0014 0.0032 -0.0095 961 PHE A CZ \n2080 N N . ARG A 270 ? 0.2391 0.3031 0.3755 -0.0038 -0.0024 -0.0043 962 ARG A N \n2081 C CA . ARG A 270 ? 0.3437 0.4070 0.4819 -0.0063 -0.0029 -0.0020 962 ARG A CA \n2082 C C . ARG A 270 ? 0.3871 0.4461 0.5214 -0.0071 -0.0030 -0.0010 962 ARG A C \n2083 O O . ARG A 270 ? 0.3710 0.4300 0.5056 -0.0092 -0.0011 0.0012 962 ARG A O \n2084 C CB . ARG A 270 ? 0.3955 0.4569 0.5343 -0.0072 -0.0064 -0.0023 962 ARG A CB \n2085 C CG . ARG A 270 ? 0.5484 0.6044 0.6829 -0.0060 -0.0095 -0.0042 962 ARG A CG \n2086 C CD . ARG A 270 ? 0.8560 0.9103 0.9896 -0.0052 -0.0120 -0.0061 962 ARG A CD \n2087 N NE . ARG A 270 ? 0.7125 0.7695 0.8458 -0.0029 -0.0105 -0.0084 962 ARG A NE \n2088 C CZ . ARG A 270 ? 0.7541 0.8091 0.8848 -0.0013 -0.0117 -0.0109 962 ARG A CZ \n2089 N NH1 . ARG A 270 ? 0.9286 0.9782 1.0565 -0.0012 -0.0148 -0.0117 962 ARG A NH1 \n2090 N NH2 . ARG A 270 ? 0.6233 0.6812 0.7538 0.0000 -0.0097 -0.0127 962 ARG A NH2 \n2091 N N . GLU A 271 ? 0.3289 0.3840 0.4593 -0.0055 -0.0050 -0.0029 963 GLU A N \n2092 C CA . GLU A 271 ? 0.3474 0.3970 0.4731 -0.0060 -0.0060 -0.0023 963 GLU A CA \n2093 C C . GLU A 271 ? 0.3406 0.3903 0.4640 -0.0062 -0.0028 -0.0012 963 GLU A C \n2094 O O . GLU A 271 ? 0.3190 0.3645 0.4385 -0.0079 -0.0024 0.0004 963 GLU A O \n2095 C CB . GLU A 271 ? 0.4203 0.4665 0.5439 -0.0036 -0.0094 -0.0048 963 GLU A CB \n2096 C CG . GLU A 271 ? 0.4469 0.4906 0.5707 -0.0033 -0.0128 -0.0059 963 GLU A CG \n2097 C CD . GLU A 271 ? 0.7105 0.7524 0.8336 0.0000 -0.0152 -0.0090 963 GLU A CD \n2098 O OE1 . GLU A 271 ? 0.6586 0.6971 0.7806 0.0006 -0.0181 -0.0102 963 GLU A OE1 \n2099 O OE2 . GLU A 271 ? 0.4681 0.5120 0.5919 0.0017 -0.0144 -0.0102 963 GLU A OE2 \n2100 N N . LEU A 272 ? 0.2611 0.3145 0.3858 -0.0044 -0.0008 -0.0023 964 LEU A N \n2101 C CA . LEU A 272 ? 0.2754 0.3278 0.3969 -0.0042 0.0017 -0.0016 964 LEU A CA \n2102 C C . LEU A 272 ? 0.2718 0.3264 0.3945 -0.0058 0.0057 0.0005 964 LEU A C \n2103 O O . LEU A 272 ? 0.3063 0.3577 0.4245 -0.0067 0.0079 0.0017 964 LEU A O \n2104 C CB . LEU A 272 ? 0.2685 0.3240 0.3911 -0.0021 0.0022 -0.0033 964 LEU A CB \n2105 C CG . LEU A 272 ? 0.3034 0.3578 0.4255 -0.0005 -0.0008 -0.0053 964 LEU A CG \n2106 C CD1 . LEU A 272 ? 0.3016 0.3607 0.4264 0.0006 0.0000 -0.0067 964 LEU A CD1 \n2107 C CD2 . LEU A 272 ? 0.2926 0.3414 0.4095 -0.0005 -0.0021 -0.0050 964 LEU A CD2 \n2108 N N . ILE A 273 ? 0.2961 0.3559 0.4248 -0.0063 0.0064 0.0009 965 ILE A N \n2109 C CA . ILE A 273 ? 0.2701 0.3332 0.4021 -0.0078 0.0100 0.0030 965 ILE A CA \n2110 C C . ILE A 273 ? 0.3250 0.3842 0.4538 -0.0106 0.0104 0.0051 965 ILE A C \n2111 O O . ILE A 273 ? 0.3911 0.4495 0.5175 -0.0116 0.0142 0.0065 965 ILE A O \n2112 C CB . ILE A 273 ? 0.2521 0.3210 0.3919 -0.0082 0.0093 0.0034 965 ILE A CB \n2113 C CG1 . ILE A 273 ? 0.2574 0.3297 0.3996 -0.0058 0.0092 0.0017 965 ILE A CG1 \n2114 C CG2 . ILE A 273 ? 0.2484 0.3215 0.3932 -0.0100 0.0128 0.0058 965 ILE A CG2 \n2115 C CD1 . ILE A 273 ? 0.3097 0.3854 0.4576 -0.0062 0.0069 0.0017 965 ILE A CD1 \n2116 N N . ILE A 274 ? 0.3145 0.3705 0.4426 -0.0120 0.0064 0.0051 966 ILE A N \n2117 C CA . ILE A 274 ? 0.3621 0.4132 0.4865 -0.0152 0.0060 0.0072 966 ILE A CA \n2118 C C . ILE A 274 ? 0.4114 0.4557 0.5270 -0.0153 0.0067 0.0074 966 ILE A C \n2119 O O . ILE A 274 ? 0.3448 0.3869 0.4570 -0.0177 0.0098 0.0094 966 ILE A O \n2120 C CB . ILE A 274 ? 0.4227 0.4703 0.5470 -0.0164 0.0007 0.0070 966 ILE A CB \n2121 C CG1 . ILE A 274 ? 0.3830 0.4364 0.5150 -0.0171 0.0000 0.0074 966 ILE A CG1 \n2122 C CG2 . ILE A 274 ? 0.4307 0.4716 0.5495 -0.0198 -0.0004 0.0091 966 ILE A CG2 \n2123 C CD1 . ILE A 274 ? 0.4417 0.4913 0.5731 -0.0174 -0.0053 0.0066 966 ILE A CD1 \n2124 N N . GLU A 275 ? 0.3273 0.3680 0.4393 -0.0128 0.0039 0.0052 967 GLU A N \n2125 C CA . GLU A 275 ? 0.3401 0.3732 0.4434 -0.0129 0.0034 0.0053 967 GLU A CA \n2126 C C . GLU A 275 ? 0.3016 0.3348 0.4016 -0.0127 0.0083 0.0061 967 GLU A C \n2127 O O . GLU A 275 ? 0.3567 0.3836 0.4491 -0.0147 0.0099 0.0076 967 GLU A O \n2128 C CB . GLU A 275 ? 0.3336 0.3639 0.4355 -0.0101 -0.0010 0.0029 967 GLU A CB \n2129 C CG . GLU A 275 ? 0.4927 0.5139 0.5857 -0.0106 -0.0032 0.0033 967 GLU A CG \n2130 C CD . GLU A 275 ? 0.8241 0.8413 0.9166 -0.0087 -0.0092 0.0014 967 GLU A CD \n2131 O OE1 . GLU A 275 ? 0.8806 0.9030 0.9795 -0.0065 -0.0108 -0.0005 967 GLU A OE1 \n2132 O OE2 . GLU A 275 ? 0.8694 0.8780 0.9547 -0.0094 -0.0123 0.0019 967 GLU A OE2 \n2133 N N . PHE A 276 ? 0.2700 0.3091 0.3742 -0.0104 0.0107 0.0050 968 PHE A N \n2134 C CA . PHE A 276 ? 0.2664 0.3049 0.3669 -0.0099 0.0153 0.0054 968 PHE A CA \n2135 C C . PHE A 276 ? 0.3036 0.3451 0.4061 -0.0119 0.0205 0.0075 968 PHE A C \n2136 O O . PHE A 276 ? 0.3829 0.4212 0.4795 -0.0122 0.0247 0.0084 968 PHE A O \n2137 C CB . PHE A 276 ? 0.3189 0.3618 0.4227 -0.0069 0.0161 0.0037 968 PHE A CB \n2138 C CG . PHE A 276 ? 0.2844 0.3229 0.3836 -0.0053 0.0126 0.0021 968 PHE A CG \n2139 C CD1 . PHE A 276 ? 0.3144 0.3456 0.4045 -0.0052 0.0132 0.0024 968 PHE A CD1 \n2140 C CD2 . PHE A 276 ? 0.3501 0.3917 0.4540 -0.0040 0.0088 0.0005 968 PHE A CD2 \n2141 C CE1 . PHE A 276 ? 0.4421 0.4694 0.5288 -0.0040 0.0093 0.0012 968 PHE A CE1 \n2142 C CE2 . PHE A 276 ? 0.3153 0.3538 0.4162 -0.0027 0.0056 -0.0007 968 PHE A CE2 \n2143 C CZ . PHE A 276 ? 0.3174 0.3490 0.4103 -0.0029 0.0056 -0.0003 968 PHE A CZ \n2144 N N . SER A 277 ? 0.3381 0.3857 0.4488 -0.0133 0.0203 0.0084 969 SER A N \n2145 C CA . SER A 277 ? 0.3733 0.4250 0.4876 -0.0157 0.0253 0.0108 969 SER A CA \n2146 C C . SER A 277 ? 0.3697 0.4144 0.4761 -0.0193 0.0264 0.0128 969 SER A C \n2147 O O . SER A 277 ? 0.3915 0.4365 0.4957 -0.0207 0.0321 0.0143 969 SER A O \n2148 C CB . SER A 277 ? 0.3443 0.4040 0.4698 -0.0168 0.0241 0.0116 969 SER A CB \n2149 O OG . SER A 277 ? 0.3519 0.4183 0.4845 -0.0138 0.0245 0.0102 969 SER A OG \n2150 N N . LYS A 278 ? 0.3604 0.3985 0.4622 -0.0208 0.0210 0.0129 970 LYS A N \n2151 C CA . LYS A 278 ? 0.4328 0.4619 0.5250 -0.0243 0.0206 0.0147 970 LYS A CA \n2152 C C . LYS A 278 ? 0.4602 0.4818 0.5413 -0.0236 0.0232 0.0144 970 LYS A C \n2153 O O . LYS A 278 ? 0.4030 0.4199 0.4771 -0.0265 0.0271 0.0164 970 LYS A O \n2154 C CB . LYS A 278 ? 0.5288 0.5517 0.6183 -0.0249 0.0133 0.0142 970 LYS A CB \n2155 C CG . LYS A 278 ? 0.6577 0.6711 0.7380 -0.0291 0.0118 0.0164 970 LYS A CG \n2156 C CD . LYS A 278 ? 0.8192 0.8235 0.8934 -0.0279 0.0044 0.0149 970 LYS A CD \n2157 C CE . LYS A 278 ? 0.7525 0.7510 0.8192 -0.0254 0.0040 0.0135 970 LYS A CE \n2158 N NZ . LYS A 278 ? 0.7039 0.7009 0.7722 -0.0218 -0.0022 0.0108 970 LYS A NZ \n2159 N N . MET A 279 ? 0.4010 0.4209 0.4801 -0.0200 0.0210 0.0121 971 MET A N \n2160 C CA . MET A 279 ? 0.4611 0.4732 0.5295 -0.0192 0.0227 0.0118 971 MET A CA \n2161 C C . MET A 279 ? 0.4331 0.4487 0.5012 -0.0187 0.0306 0.0124 971 MET A C \n2162 O O . MET A 279 ? 0.4468 0.4550 0.5043 -0.0200 0.0340 0.0133 971 MET A O \n2163 C CB . MET A 279 ? 0.3866 0.3970 0.4543 -0.0157 0.0181 0.0094 971 MET A CB \n2164 C CG . MET A 279 ? 0.4532 0.4578 0.5187 -0.0160 0.0108 0.0088 971 MET A CG \n2165 S SD . MET A 279 ? 0.5161 0.5209 0.5833 -0.0121 0.0059 0.0061 971 MET A SD \n2166 C CE . MET A 279 ? 0.4972 0.4971 0.5644 -0.0125 -0.0017 0.0055 971 MET A CE \n2167 N N . ALA A 280 ? 0.4161 0.4424 0.4952 -0.0166 0.0333 0.0117 972 ALA A N \n2168 C CA . ALA A 280 ? 0.4731 0.5039 0.5538 -0.0154 0.0406 0.0119 972 ALA A CA \n2169 C C . ALA A 280 ? 0.4662 0.4976 0.5458 -0.0190 0.0464 0.0145 972 ALA A C \n2170 O O . ALA A 280 ? 0.4924 0.5257 0.5709 -0.0182 0.0534 0.0147 972 ALA A O \n2171 C CB . ALA A 280 ? 0.4188 0.4609 0.5125 -0.0126 0.0413 0.0108 972 ALA A CB \n2172 N N . ARG A 281 ? 0.4550 0.4845 0.5346 -0.0229 0.0436 0.0163 973 ARG A N \n2173 C CA . ARG A 281 ? 0.5361 0.5657 0.6142 -0.0274 0.0485 0.0191 973 ARG A CA \n2174 C C . ARG A 281 ? 0.5684 0.5852 0.6300 -0.0296 0.0505 0.0200 973 ARG A C \n2175 O O . ARG A 281 ? 0.5683 0.5844 0.6262 -0.0328 0.0567 0.0220 973 ARG A O \n2176 C CB . ARG A 281 ? 0.5834 0.6152 0.6674 -0.0312 0.0442 0.0209 973 ARG A CB \n2177 C CG . ARG A 281 ? 0.7494 0.7946 0.8497 -0.0308 0.0451 0.0213 973 ARG A CG \n2178 C CD . ARG A 281 ? 0.8217 0.8681 0.9263 -0.0355 0.0419 0.0237 973 ARG A CD \n2179 N NE . ARG A 281 ? 0.8985 0.9407 1.0025 -0.0348 0.0333 0.0225 973 ARG A NE \n2180 C CZ . ARG A 281 ? 0.8865 0.9347 0.9996 -0.0320 0.0296 0.0208 973 ARG A CZ \n2181 N NH1 . ARG A 281 ? 0.7091 0.7675 0.8326 -0.0297 0.0329 0.0203 973 ARG A NH1 \n2182 N NH2 . ARG A 281 ? 0.7409 0.7844 0.8522 -0.0313 0.0225 0.0195 973 ARG A NH2 \n2183 N N . ASP A 282 ? 0.5413 0.5479 0.5928 -0.0281 0.0451 0.0185 974 ASP A N \n2184 C CA . ASP A 282 ? 0.4986 0.4912 0.5331 -0.0300 0.0455 0.0192 974 ASP A CA \n2185 C C . ASP A 282 ? 0.5427 0.5289 0.5706 -0.0260 0.0421 0.0167 974 ASP A C \n2186 O O . ASP A 282 ? 0.5649 0.5421 0.5858 -0.0262 0.0351 0.0163 974 ASP A O \n2187 C CB . ASP A 282 ? 0.6211 0.6053 0.6496 -0.0342 0.0396 0.0209 974 ASP A CB \n2188 C CG . ASP A 282 ? 0.6479 0.6162 0.6579 -0.0369 0.0392 0.0220 974 ASP A CG \n2189 O OD1 . ASP A 282 ? 0.6299 0.5939 0.6311 -0.0363 0.0451 0.0219 974 ASP A OD1 \n2190 O OD2 . ASP A 282 ? 0.7711 0.7303 0.7746 -0.0396 0.0327 0.0229 974 ASP A OD2 \n2191 N N . PRO A 283 ? 0.5975 0.5884 0.6279 -0.0223 0.0467 0.0152 975 PRO A N \n2192 C CA . PRO A 283 ? 0.4872 0.4746 0.5147 -0.0184 0.0426 0.0129 975 PRO A CA \n2193 C C . PRO A 283 ? 0.6284 0.6002 0.6390 -0.0192 0.0392 0.0128 975 PRO A C \n2194 O O . PRO A 283 ? 0.4577 0.4254 0.4667 -0.0175 0.0326 0.0115 975 PRO A O \n2195 C CB . PRO A 283 ? 0.5322 0.5263 0.5638 -0.0150 0.0493 0.0117 975 PRO A CB \n2196 C CG . PRO A 283 ? 0.5060 0.5031 0.5377 -0.0171 0.0577 0.0134 975 PRO A CG \n2197 C CD . PRO A 283 ? 0.4665 0.4661 0.5028 -0.0215 0.0557 0.0156 975 PRO A CD \n2198 N N . GLN A 284 ? 0.6003 0.5630 0.5983 -0.0221 0.0436 0.0144 976 GLN A N \n2199 C CA . GLN A 284 ? 0.5899 0.5363 0.5701 -0.0230 0.0407 0.0146 976 GLN A CA \n2200 C C . GLN A 284 ? 0.5987 0.5365 0.5742 -0.0256 0.0319 0.0154 976 GLN A C \n2201 O O . GLN A 284 ? 0.6224 0.5475 0.5858 -0.0257 0.0267 0.0152 976 GLN A O \n2202 C CB . GLN A 284 ? 0.6607 0.5995 0.6275 -0.0250 0.0490 0.0158 976 GLN A CB \n2203 C CG . GLN A 284 ? 0.7380 0.6836 0.7084 -0.0212 0.0570 0.0143 976 GLN A CG \n2204 C CD . GLN A 284 ? 0.8428 0.7826 0.8014 -0.0227 0.0666 0.0152 976 GLN A CD \n2205 O OE1 . GLN A 284 ? 0.9329 0.8835 0.9002 -0.0221 0.0749 0.0154 976 GLN A OE1 \n2206 N NE2 . GLN A 284 ? 0.6856 0.6084 0.6245 -0.0247 0.0655 0.0158 976 GLN A NE2 \n2207 N N . ARG A 285 ? 0.5647 0.5092 0.5499 -0.0275 0.0297 0.0163 977 ARG A N \n2208 C CA . ARG A 285 ? 0.6036 0.5423 0.5879 -0.0287 0.0204 0.0165 977 ARG A CA \n2209 C C . ARG A 285 ? 0.5732 0.5154 0.5651 -0.0247 0.0135 0.0141 977 ARG A C \n2210 O O . ARG A 285 ? 0.5693 0.5034 0.5568 -0.0247 0.0057 0.0138 977 ARG A O \n2211 C CB . ARG A 285 ? 0.5937 0.5391 0.5870 -0.0313 0.0199 0.0178 977 ARG A CB \n2212 C CG . ARG A 285 ? 0.6103 0.5465 0.5990 -0.0332 0.0111 0.0184 977 ARG A CG \n2213 C CD . ARG A 285 ? 0.7132 0.6555 0.7108 -0.0354 0.0098 0.0195 977 ARG A CD \n2214 N NE . ARG A 285 ? 0.7481 0.6854 0.7465 -0.0345 0.0001 0.0186 977 ARG A NE \n2215 C CZ . ARG A 285 ? 0.8402 0.7802 0.8451 -0.0354 -0.0037 0.0188 977 ARG A CZ \n2216 N NH1 . ARG A 285 ? 0.7654 0.7001 0.7704 -0.0338 -0.0123 0.0176 977 ARG A NH1 \n2217 N NH2 . ARG A 285 ? 0.6082 0.5561 0.6199 -0.0378 0.0007 0.0203 977 ARG A NH2 \n2218 N N . TYR A 286 ? 0.5958 0.5499 0.5992 -0.0214 0.0163 0.0125 978 TYR A N \n2219 C CA . TYR A 286 ? 0.5018 0.4615 0.5146 -0.0182 0.0104 0.0105 978 TYR A CA \n2220 C C . TYR A 286 ? 0.5153 0.4728 0.5249 -0.0154 0.0096 0.0090 978 TYR A C \n2221 O O . TYR A 286 ? 0.4182 0.3756 0.4310 -0.0137 0.0032 0.0078 978 TYR A O \n2222 C CB . TYR A 286 ? 0.4485 0.4229 0.4772 -0.0169 0.0121 0.0098 978 TYR A CB \n2223 C CG . TYR A 286 ? 0.4906 0.4660 0.5225 -0.0196 0.0107 0.0111 978 TYR A CG \n2224 C CD1 . TYR A 286 ? 0.5238 0.5031 0.5574 -0.0222 0.0167 0.0129 978 TYR A CD1 \n2225 C CD2 . TYR A 286 ? 0.4921 0.4644 0.5255 -0.0196 0.0032 0.0106 978 TYR A CD2 \n2226 C CE1 . TYR A 286 ? 0.5139 0.4935 0.5500 -0.0252 0.0149 0.0144 978 TYR A CE1 \n2227 C CE2 . TYR A 286 ? 0.5520 0.5238 0.5871 -0.0221 0.0014 0.0118 978 TYR A CE2 \n2228 C CZ . TYR A 286 ? 0.5952 0.5704 0.6313 -0.0251 0.0071 0.0138 978 TYR A CZ \n2229 O OH . TYR A 286 ? 0.5514 0.5257 0.5891 -0.0280 0.0049 0.0152 978 TYR A OH \n2230 N N . LEU A 287 ? 0.4198 0.3756 0.4232 -0.0149 0.0160 0.0092 979 LEU A N \n2231 C CA . LEU A 287 ? 0.4245 0.3752 0.4216 -0.0127 0.0152 0.0080 979 LEU A CA \n2232 C C . LEU A 287 ? 0.5012 0.4372 0.4802 -0.0143 0.0175 0.0091 979 LEU A C \n2233 O O . LEU A 287 ? 0.5495 0.4840 0.5232 -0.0160 0.0244 0.0102 979 LEU A O \n2234 C CB . LEU A 287 ? 0.4276 0.3890 0.4336 -0.0097 0.0202 0.0067 979 LEU A CB \n2235 C CG . LEU A 287 ? 0.4809 0.4562 0.5036 -0.0081 0.0183 0.0057 979 LEU A CG \n2236 C CD1 . LEU A 287 ? 0.4358 0.4197 0.4653 -0.0054 0.0233 0.0046 979 LEU A CD1 \n2237 C CD2 . LEU A 287 ? 0.3826 0.3574 0.4085 -0.0073 0.0104 0.0046 979 LEU A CD2 \n2238 N N . VAL A 288 ? 0.4829 0.4079 0.4522 -0.0141 0.0118 0.0087 980 VAL A N \n2239 C CA . VAL A 288 ? 0.5664 0.4750 0.5164 -0.0157 0.0126 0.0096 980 VAL A CA \n2240 C C . VAL A 288 ? 0.5580 0.4633 0.5021 -0.0131 0.0148 0.0084 980 VAL A C \n2241 O O . VAL A 288 ? 0.5629 0.4653 0.5068 -0.0119 0.0085 0.0076 980 VAL A O \n2242 C CB . VAL A 288 ? 0.5781 0.4738 0.5191 -0.0178 0.0032 0.0105 980 VAL A CB \n2243 C CG1 . VAL A 288 ? 0.6715 0.5488 0.5908 -0.0201 0.0042 0.0116 980 VAL A CG1 \n2244 C CG2 . VAL A 288 ? 0.6096 0.5087 0.5575 -0.0199 0.0000 0.0114 980 VAL A CG2 \n2245 N N . ILE A 289 ? 0.5355 0.4412 0.4750 -0.0122 0.0238 0.0082 981 ILE A N \n2246 C CA . ILE A 289 ? 0.5792 0.4820 0.5131 -0.0091 0.0270 0.0068 981 ILE A CA \n2247 C C . ILE A 289 ? 0.7001 0.5883 0.6143 -0.0101 0.0326 0.0073 981 ILE A C \n2248 O O . ILE A 289 ? 0.6502 0.5404 0.5630 -0.0114 0.0401 0.0082 981 ILE A O \n2249 C CB . ILE A 289 ? 0.5966 0.5154 0.5455 -0.0060 0.0333 0.0056 981 ILE A CB \n2250 C CG1 . ILE A 289 ? 0.5456 0.4782 0.5129 -0.0052 0.0281 0.0050 981 ILE A CG1 \n2251 C CG2 . ILE A 289 ? 0.6158 0.5306 0.5580 -0.0026 0.0368 0.0040 981 ILE A CG2 \n2252 C CD1 . ILE A 289 ? 0.5854 0.5337 0.5680 -0.0030 0.0335 0.0043 981 ILE A CD1 \n2253 N N . GLN A 290 ? 0.7198 0.5931 0.6185 -0.0097 0.0289 0.0070 982 GLN A N \n2254 C CA . GLN A 290 ? 0.7420 0.5996 0.6198 -0.0105 0.0342 0.0072 982 GLN A CA \n2255 C C . GLN A 290 ? 0.7877 0.6519 0.6673 -0.0072 0.0454 0.0059 982 GLN A C \n2256 O O . GLN A 290 ? 0.8123 0.6839 0.7001 -0.0034 0.0462 0.0042 982 GLN A O \n2257 C CB . GLN A 290 ? 0.9432 0.7831 0.8042 -0.0105 0.0274 0.0070 982 GLN A CB \n2258 C CG . GLN A 290 ? 1.1835 1.0037 1.0199 -0.0123 0.0309 0.0076 982 GLN A CG \n2259 C CD . GLN A 290 ? 1.2915 1.0931 1.1102 -0.0122 0.0239 0.0073 982 GLN A CD \n2260 O OE1 . GLN A 290 ? 1.1338 0.9370 0.9556 -0.0093 0.0215 0.0060 982 GLN A OE1 \n2261 N NE2 . GLN A 290 ? 1.3825 1.1655 1.1819 -0.0157 0.0203 0.0088 982 GLN A NE2 \n2262 N N . GLY A 291 ? 0.8149 0.6765 0.6872 -0.0088 0.0540 0.0067 983 GLY A N \n2263 C CA . GLY A 291 ? 0.8277 0.6956 0.7017 -0.0056 0.0654 0.0054 983 GLY A CA \n2264 C C . GLY A 291 ? 0.8909 0.7805 0.7882 -0.0045 0.0698 0.0054 983 GLY A C \n2265 O O . GLY A 291 ? 0.8003 0.6982 0.7034 -0.0014 0.0785 0.0042 983 GLY A O \n2266 N N . ASP A 292 ? 0.8035 0.7017 0.7138 -0.0070 0.0636 0.0066 984 ASP A N \n2267 C CA . ASP A 292 ? 0.6897 0.6074 0.6220 -0.0063 0.0657 0.0067 984 ASP A CA \n2268 C C . ASP A 292 ? 0.7346 0.6609 0.6718 -0.0058 0.0771 0.0070 984 ASP A C \n2269 O O . ASP A 292 ? 0.7307 0.6703 0.6820 -0.0024 0.0811 0.0058 984 ASP A O \n2270 C CB . ASP A 292 ? 0.5678 0.4891 0.5076 -0.0101 0.0589 0.0085 984 ASP A CB \n2271 C CG . ASP A 292 ? 0.6828 0.6220 0.6445 -0.0089 0.0571 0.0081 984 ASP A CG \n2272 O OD1 . ASP A 292 ? 0.7331 0.6822 0.7048 -0.0052 0.0606 0.0067 984 ASP A OD1 \n2273 O OD2 . ASP A 292 ? 0.7093 0.6519 0.6777 -0.0115 0.0519 0.0093 984 ASP A OD2 \n2274 N N . GLU A 293 ? 0.8300 0.7487 0.7556 -0.0095 0.0821 0.0087 985 GLU A N \n2275 C CA . GLU A 293 ? 1.0027 0.9294 0.9324 -0.0099 0.0936 0.0093 985 GLU A CA \n2276 C C . GLU A 293 ? 0.9391 0.8676 0.8676 -0.0044 0.1018 0.0069 985 GLU A C \n2277 O O . GLU A 293 ? 0.9474 0.8905 0.8904 -0.0023 0.1090 0.0065 985 GLU A O \n2278 C CB . GLU A 293 ? 1.1650 1.0799 1.0786 -0.0152 0.0972 0.0115 985 GLU A CB \n2279 C CG . GLU A 293 ? 1.3974 1.3229 1.3185 -0.0176 0.1077 0.0131 985 GLU A CG \n2280 C CD . GLU A 293 ? 1.5493 1.4875 1.4873 -0.0213 0.1042 0.0153 985 GLU A CD \n2281 O OE1 . GLU A 293 ? 1.4291 1.3597 1.3618 -0.0253 0.0961 0.0169 985 GLU A OE1 \n2282 O OE2 . GLU A 293 ? 1.5574 1.5126 1.5137 -0.0202 0.1092 0.0155 985 GLU A OE2 \n2283 N N . ARG A 294 ? 0.9454 0.8588 0.8568 -0.0020 0.1001 0.0053 986 ARG A N \n2284 C CA . ARG A 294 ? 1.0036 0.9156 0.9109 0.0034 0.1070 0.0027 986 ARG A CA \n2285 C C . ARG A 294 ? 1.0976 1.0136 1.0132 0.0082 0.1006 0.0006 986 ARG A C \n2286 O O . ARG A 294 ? 1.3179 1.2208 1.2196 0.0107 0.0978 -0.0009 986 ARG A O \n2287 C CB . ARG A 294 ? 1.0660 0.9569 0.9466 0.0030 0.1102 0.0022 986 ARG A CB \n2288 C CG . ARG A 294 ? 1.2138 1.1018 1.0855 0.0000 0.1208 0.0036 986 ARG A CG \n2289 C CD . ARG A 294 ? 1.2418 1.1218 1.1052 -0.0071 0.1162 0.0066 986 ARG A CD \n2290 N NE . ARG A 294 ? 1.4330 1.2896 1.2708 -0.0091 0.1111 0.0068 986 ARG A NE \n2291 C CZ . ARG A 294 ? 1.5835 1.4251 1.4003 -0.0122 0.1169 0.0077 986 ARG A CZ \n2292 N NH1 . ARG A 294 ? 1.5502 1.3985 1.3688 -0.0138 0.1287 0.0086 986 ARG A NH1 \n2293 N NH2 . ARG A 294 ? 1.4309 1.2504 1.2245 -0.0139 0.1109 0.0079 986 ARG A NH2 \n2294 N N . MET A 295 ? 1.0734 1.0065 1.0106 0.0091 0.0982 0.0007 987 MET A N \n2295 C CA . MET A 295 ? 0.9874 0.9254 0.9335 0.0132 0.0926 -0.0011 987 MET A CA \n2296 C C . MET A 295 ? 1.0151 0.9701 0.9801 0.0172 0.0979 -0.0022 987 MET A C \n2297 O O . MET A 295 ? 0.8481 0.8175 0.8297 0.0154 0.0990 -0.0008 987 MET A O \n2298 C CB . MET A 295 ? 1.0538 0.9933 1.0060 0.0106 0.0814 -0.0001 987 MET A CB \n2299 C CG . MET A 295 ? 0.9017 0.8253 0.8384 0.0105 0.0736 -0.0007 987 MET A CG \n2300 S SD . MET A 295 ? 0.9838 0.9087 0.9268 0.0066 0.0616 0.0007 987 MET A SD \n2301 C CE . MET A 295 ? 1.0024 0.9063 0.9240 0.0060 0.0545 0.0004 987 MET A CE \n2302 N N . HIS A 296 ? 1.2215 1.1739 1.1835 0.0227 0.1003 -0.0046 988 HIS A N \n2303 C CA . HIS A 296 ? 1.2213 1.1877 1.1991 0.0274 0.1056 -0.0061 988 HIS A CA \n2304 C C . HIS A 296 ? 0.9897 0.9581 0.9739 0.0308 0.0983 -0.0077 988 HIS A C \n2305 O O . HIS A 296 ? 1.0129 0.9685 0.9836 0.0328 0.0946 -0.0091 988 HIS A O \n2306 C CB . HIS A 296 ? 1.4909 1.4523 1.4595 0.0315 0.1162 -0.0079 988 HIS A CB \n2307 C CG . HIS A 296 ? 1.7146 1.6561 1.6601 0.0335 0.1148 -0.0096 988 HIS A CG \n2308 N ND1 . HIS A 296 ? 1.6524 1.5779 1.5781 0.0295 0.1136 -0.0084 988 HIS A ND1 \n2309 C CD2 . HIS A 296 ? 1.6681 1.6020 1.6065 0.0389 0.1138 -0.0122 988 HIS A CD2 \n2310 C CE1 . HIS A 296 ? 1.5913 1.5005 1.4989 0.0323 0.1119 -0.0102 988 HIS A CE1 \n2311 N NE2 . HIS A 296 ? 1.5946 1.5085 1.5094 0.0380 0.1121 -0.0126 988 HIS A NE2 \n2312 N N . LEU A 297 ? 0.7822 0.7659 0.7861 0.0310 0.0958 -0.0072 989 LEU A N \n2313 C CA . LEU A 297 ? 0.9211 0.9070 0.9312 0.0340 0.0893 -0.0086 989 LEU A CA \n2314 C C . LEU A 297 ? 1.0864 1.0735 1.0982 0.0406 0.0943 -0.0112 989 LEU A C \n2315 O O . LEU A 297 ? 0.8567 0.8540 0.8789 0.0428 0.1019 -0.0114 989 LEU A O \n2316 C CB . LEU A 297 ? 0.8475 0.8472 0.8758 0.0318 0.0840 -0.0074 989 LEU A CB \n2317 C CG . LEU A 297 ? 0.8525 0.8489 0.8785 0.0270 0.0753 -0.0059 989 LEU A CG \n2318 C CD1 . LEU A 297 ? 0.8156 0.8254 0.8593 0.0258 0.0710 -0.0052 989 LEU A CD1 \n2319 C CD2 . LEU A 297 ? 0.6451 0.6285 0.6578 0.0276 0.0689 -0.0069 989 LEU A CD2 \n2320 N N . PRO A 298 ? 1.1030 1.0796 1.1047 0.0437 0.0898 -0.0130 990 PRO A N \n2321 C CA . PRO A 298 ? 1.1468 1.1222 1.1483 0.0503 0.0933 -0.0156 990 PRO A CA \n2322 C C . PRO A 298 ? 1.0815 1.0734 1.1044 0.0529 0.0936 -0.0159 990 PRO A C \n2323 O O . PRO A 298 ? 1.0015 1.0022 1.0364 0.0497 0.0877 -0.0144 990 PRO A O \n2324 C CB . PRO A 298 ? 1.1898 1.1517 1.1785 0.0512 0.0851 -0.0166 990 PRO A CB \n2325 C CG . PRO A 298 ? 1.1807 1.1329 1.1573 0.0455 0.0804 -0.0148 990 PRO A CG \n2326 C CD . PRO A 298 ? 1.0711 1.0358 1.0609 0.0408 0.0808 -0.0125 990 PRO A CD \n2327 N N . SER A 299 ? 1.0622 1.0578 1.0896 0.0588 0.1003 -0.0180 991 SER A N \n2328 C CA . SER A 299 ? 1.1644 1.1743 1.2115 0.0623 0.1002 -0.0186 991 SER A CA \n2329 C C . SER A 299 ? 1.1519 1.1608 1.2021 0.0615 0.0895 -0.0185 991 SER A C \n2330 O O . SER A 299 ? 1.1508 1.1469 1.1875 0.0628 0.0847 -0.0197 991 SER A O \n2331 C CB . SER A 299 ? 1.2245 1.2337 1.2715 0.0700 0.1071 -0.0215 991 SER A CB \n2332 O OG . SER A 299 ? 1.1389 1.1625 1.2062 0.0734 0.1071 -0.0220 991 SER A OG \n2333 N N . PRO A 300 ? 1.1896 1.2117 1.2568 0.0589 0.0858 -0.0169 992 PRO A N \n2334 C CA . PRO A 300 ? 1.1501 1.1718 1.2200 0.0570 0.0760 -0.0164 992 PRO A CA \n2335 C C . PRO A 300 ? 1.2577 1.2724 1.3232 0.0620 0.0723 -0.0187 992 PRO A C \n2336 O O . PRO A 300 ? 1.3139 1.3201 1.3708 0.0602 0.0650 -0.0186 992 PRO A O \n2337 C CB . PRO A 300 ? 1.0954 1.1331 1.1855 0.0551 0.0751 -0.0149 992 PRO A CB \n2338 C CG . PRO A 300 ? 1.1592 1.2041 1.2544 0.0534 0.0828 -0.0136 992 PRO A CG \n2339 C CD . PRO A 300 ? 1.2345 1.2721 1.3189 0.0575 0.0907 -0.0154 992 PRO A CD \n2340 N N . THR A 301 ? 1.0058 1.0240 1.0773 0.0682 0.0771 -0.0206 993 THR A N \n2341 C CA . THR A 301 ? 1.1309 1.1427 1.1992 0.0737 0.0734 -0.0229 993 THR A CA \n2342 C C . THR A 301 ? 1.3328 1.3273 1.3804 0.0766 0.0743 -0.0249 993 THR A C \n2343 O O . THR A 301 ? 1.3010 1.2870 1.3424 0.0803 0.0699 -0.0266 993 THR A O \n2344 C CB . THR A 301 ? 1.1084 1.1311 1.1929 0.0797 0.0772 -0.0244 993 THR A CB \n2345 O OG1 . THR A 301 ? 1.1895 1.2200 1.2798 0.0811 0.0873 -0.0244 993 THR A OG1 \n2346 C CG2 . THR A 301 ? 1.0346 1.0696 1.1366 0.0774 0.0714 -0.0228 993 THR A CG2 \n2347 N N . ASP A 302 ? 1.4030 1.3914 1.4392 0.0749 0.0797 -0.0246 994 ASP A N \n2348 C CA . ASP A 302 ? 1.2990 1.2692 1.3133 0.0765 0.0798 -0.0260 994 ASP A CA \n2349 C C . ASP A 302 ? 1.1727 1.1328 1.1756 0.0708 0.0706 -0.0244 994 ASP A C \n2350 O O . ASP A 302 ? 1.1835 1.1277 1.1680 0.0712 0.0686 -0.0252 994 ASP A O \n2351 C CB . ASP A 302 ? 1.3105 1.2771 1.3158 0.0767 0.0892 -0.0263 994 ASP A CB \n2352 C CG . ASP A 302 ? 1.3941 1.3683 1.4078 0.0831 0.0992 -0.0284 994 ASP A CG \n2353 O OD1 . ASP A 302 ? 1.2311 1.2166 1.2614 0.0869 0.0987 -0.0292 994 ASP A OD1 \n2354 O OD2 . ASP A 302 ? 1.2450 1.2140 1.2488 0.0844 0.1076 -0.0292 994 ASP A OD2 \n2355 N N . SER A 303 ? 1.0468 1.0163 1.0608 0.0657 0.0652 -0.0222 995 SER A N \n2356 C CA . SER A 303 ? 0.9300 0.8923 0.9361 0.0603 0.0567 -0.0206 995 SER A CA \n2357 C C . SER A 303 ? 0.9723 0.9255 0.9718 0.0626 0.0500 -0.0218 995 SER A C \n2358 O O . SER A 303 ? 0.9060 0.8628 0.9127 0.0671 0.0499 -0.0233 995 SER A O \n2359 C CB . SER A 303 ? 0.9694 0.9441 0.9893 0.0548 0.0530 -0.0182 995 SER A CB \n2360 O OG . SER A 303 ? 0.7121 0.6917 0.7406 0.0546 0.0469 -0.0181 995 SER A OG \n2361 N N . ASN A 304 ? 0.9182 0.8593 0.9039 0.0592 0.0440 -0.0210 996 ASN A N \n2362 C CA . ASN A 304 ? 0.9673 0.8986 0.9452 0.0599 0.0369 -0.0217 996 ASN A CA \n2363 C C . ASN A 304 ? 0.9795 0.9208 0.9711 0.0583 0.0316 -0.0208 996 ASN A C \n2364 O O . ASN A 304 ? 0.9483 0.8872 0.9406 0.0619 0.0290 -0.0222 996 ASN A O \n2365 C CB . ASN A 304 ? 0.8458 0.7637 0.8079 0.0554 0.0313 -0.0204 996 ASN A CB \n2366 C CG . ASN A 304 ? 0.9948 0.8992 0.9400 0.0576 0.0355 -0.0215 996 ASN A CG \n2367 O OD1 . ASN A 304 ? 0.9191 0.8199 0.8604 0.0636 0.0415 -0.0238 996 ASN A OD1 \n2368 N ND2 . ASN A 304 ? 0.8242 0.7209 0.7593 0.0528 0.0325 -0.0199 996 ASN A ND2 \n2369 N N . PHE A 305 ? 0.8717 0.8238 0.8738 0.0530 0.0301 -0.0187 997 PHE A N \n2370 C CA . PHE A 305 ? 0.5837 0.5446 0.5974 0.0506 0.0251 -0.0178 997 PHE A CA \n2371 C C . PHE A 305 ? 0.6597 0.6282 0.6849 0.0555 0.0270 -0.0191 997 PHE A C \n2372 O O . PHE A 305 ? 0.7922 0.7591 0.8187 0.0560 0.0217 -0.0193 997 PHE A O \n2373 C CB . PHE A 305 ? 0.6989 0.6702 0.7218 0.0449 0.0244 -0.0156 997 PHE A CB \n2374 C CG . PHE A 305 ? 0.5710 0.5466 0.5998 0.0411 0.0179 -0.0145 997 PHE A CG \n2375 C CD1 . PHE A 305 ? 0.5133 0.4985 0.5547 0.0421 0.0174 -0.0146 997 PHE A CD1 \n2376 C CD2 . PHE A 305 ? 0.6193 0.5889 0.6406 0.0364 0.0123 -0.0133 997 PHE A CD2 \n2377 C CE1 . PHE A 305 ? 0.4505 0.4383 0.4956 0.0385 0.0118 -0.0136 997 PHE A CE1 \n2378 C CE2 . PHE A 305 ? 0.6139 0.5873 0.6400 0.0328 0.0070 -0.0122 997 PHE A CE2 \n2379 C CZ . PHE A 305 ? 0.4722 0.4542 0.5094 0.0338 0.0069 -0.0124 997 PHE A CZ \n2380 N N . TYR A 306 ? 0.5537 0.5301 0.5872 0.0589 0.0342 -0.0198 998 TYR A N \n2381 C CA . TYR A 306 ? 0.6233 0.6085 0.6701 0.0635 0.0360 -0.0210 998 TYR A CA \n2382 C C . TYR A 306 ? 0.6620 0.6372 0.7016 0.0695 0.0342 -0.0233 998 TYR A C \n2383 O O . TYR A 306 ? 0.6307 0.6072 0.6756 0.0707 0.0291 -0.0236 998 TYR A O \n2384 C CB . TYR A 306 ? 0.6187 0.6147 0.6762 0.0658 0.0446 -0.0212 998 TYR A CB \n2385 C CG . TYR A 306 ? 0.6522 0.6584 0.7253 0.0704 0.0460 -0.0221 998 TYR A CG \n2386 C CD1 . TYR A 306 ? 0.7964 0.8152 0.8852 0.0677 0.0439 -0.0206 998 TYR A CD1 \n2387 C CD2 . TYR A 306 ? 0.8168 0.8194 0.8888 0.0777 0.0491 -0.0247 998 TYR A CD2 \n2388 C CE1 . TYR A 306 ? 0.8622 0.8901 0.9657 0.0717 0.0443 -0.0212 998 TYR A CE1 \n2389 C CE2 . TYR A 306 ? 0.8160 0.8283 0.9035 0.0822 0.0499 -0.0256 998 TYR A CE2 \n2390 C CZ . TYR A 306 ? 0.9878 1.0128 1.0913 0.0789 0.0472 -0.0237 998 TYR A CZ \n2391 O OH . TYR A 306 ? 1.0108 1.0453 1.1301 0.0831 0.0472 -0.0244 998 TYR A OH \n2392 N N . ARG A 307 ? 0.7174 0.6820 0.7441 0.0731 0.0381 -0.0250 999 ARG A N \n2393 C CA . ARG A 307 ? 0.8550 0.8086 0.8730 0.0794 0.0367 -0.0275 999 ARG A CA \n2394 C C . ARG A 307 ? 0.9285 0.8721 0.9382 0.0771 0.0269 -0.0270 999 ARG A C \n2395 O O . ARG A 307 ? 0.7012 0.6425 0.7131 0.0810 0.0233 -0.0283 999 ARG A O \n2396 C CB . ARG A 307 ? 0.9740 0.9158 0.9767 0.0830 0.0423 -0.0293 999 ARG A CB \n2397 C CG . ARG A 307 ? 0.9624 0.9122 0.9726 0.0881 0.0527 -0.0309 999 ARG A CG \n2398 C CD . ARG A 307 ? 1.1962 1.1316 1.1893 0.0932 0.0575 -0.0334 999 ARG A CD \n2399 N NE . ARG A 307 ? 1.2909 1.2335 1.2903 0.0984 0.0684 -0.0352 999 ARG A NE \n2400 C CZ . ARG A 307 ? 1.1736 1.1212 1.1823 0.1060 0.0723 -0.0377 999 ARG A CZ \n2401 N NH1 . ARG A 307 ? 1.0498 1.0047 1.0644 0.1101 0.0829 -0.0390 999 ARG A NH1 \n2402 N NH2 . ARG A 307 ? 0.9480 0.8934 0.9601 0.1095 0.0657 -0.0389 999 ARG A NH2 \n2403 N N . ALA A 308 ? 0.7442 0.6822 0.7448 0.0705 0.0226 -0.0250 1000 ALA A N \n2404 C CA . ALA A 308 ? 0.8914 0.8215 0.8849 0.0663 0.0134 -0.0238 1000 ALA A CA \n2405 C C . ALA A 308 ? 0.9300 0.8682 0.9354 0.0649 0.0086 -0.0230 1000 ALA A C \n2406 O O . ALA A 308 ? 0.8472 0.7773 0.8462 0.0638 0.0016 -0.0228 1000 ALA A O \n2407 C CB . ALA A 308 ? 0.5397 0.4677 0.5269 0.0589 0.0109 -0.0214 1000 ALA A CB \n2408 N N . LEU A 309 ? 0.5935 0.5469 0.6153 0.0647 0.0120 -0.0224 1001 LEU A N \n2409 C CA . LEU A 309 ? 0.5147 0.4758 0.5478 0.0631 0.0077 -0.0216 1001 LEU A CA \n2410 C C . LEU A 309 ? 0.6766 0.6404 0.7181 0.0698 0.0082 -0.0235 1001 LEU A C \n2411 O O . LEU A 309 ? 0.6805 0.6418 0.7232 0.0700 0.0020 -0.0235 1001 LEU A O \n2412 C CB . LEU A 309 ? 0.5725 0.5480 0.6186 0.0586 0.0101 -0.0197 1001 LEU A CB \n2413 C CG . LEU A 309 ? 0.5529 0.5297 0.5978 0.0510 0.0053 -0.0175 1001 LEU A CG \n2414 C CD1 . LEU A 309 ? 0.6187 0.5872 0.6508 0.0476 0.0047 -0.0167 1001 LEU A CD1 \n2415 C CD2 . LEU A 309 ? 0.5059 0.4968 0.5648 0.0481 0.0077 -0.0162 1001 LEU A CD2 \n2416 N N . MET A 310 ? 0.6670 0.6361 0.7145 0.0753 0.0156 -0.0251 1002 MET A N \n2417 C CA . MET A 310 ? 0.7759 0.7525 0.8369 0.0814 0.0172 -0.0266 1002 MET A CA \n2418 C C . MET A 310 ? 0.8752 0.8422 0.9299 0.0895 0.0178 -0.0296 1002 MET A C \n2419 O O . MET A 310 ? 0.7655 0.7355 0.8294 0.0943 0.0156 -0.0308 1002 MET A O \n2420 C CB . MET A 310 ? 0.7211 0.7130 0.7973 0.0821 0.0250 -0.0262 1002 MET A CB \n2421 C CG . MET A 310 ? 0.8481 0.8499 0.9318 0.0747 0.0244 -0.0234 1002 MET A CG \n2422 S SD . MET A 310 ? 0.8166 0.8200 0.9049 0.0698 0.0148 -0.0216 1002 MET A SD \n2423 C CE . MET A 310 ? 0.8744 0.8854 0.9788 0.0759 0.0136 -0.0229 1002 MET A CE \n2424 N N . ASP A 311 ? 0.9365 0.8916 0.9755 0.0912 0.0203 -0.0308 1003 ASP A N \n2425 C CA . ASP A 311 ? 1.1948 1.1396 1.2260 0.0994 0.0219 -0.0341 1003 ASP A CA \n2426 C C . ASP A 311 ? 1.1255 1.0573 1.1479 0.1012 0.0126 -0.0349 1003 ASP A C \n2427 O O . ASP A 311 ? 1.1393 1.0642 1.1587 0.1088 0.0129 -0.0378 1003 ASP A O \n2428 C CB . ASP A 311 ? 1.1500 1.0846 1.1655 0.1006 0.0275 -0.0352 1003 ASP A CB \n2429 C CG . ASP A 311 ? 1.2027 1.1484 1.2268 0.1027 0.0384 -0.0357 1003 ASP A CG \n2430 O OD1 . ASP A 311 ? 1.1370 1.0982 1.1768 0.0993 0.0407 -0.0338 1003 ASP A OD1 \n2431 O OD2 . ASP A 311 ? 1.4065 1.3447 1.4208 0.1075 0.0445 -0.0379 1003 ASP A OD2 \n2432 N N . GLU A 312 ? 1.0995 1.0280 1.1177 0.0941 0.0047 -0.0325 1004 GLU A N \n2433 C CA . GLU A 312 ? 1.2079 1.1246 1.2180 0.0943 -0.0045 -0.0327 1004 GLU A CA \n2434 C C . GLU A 312 ? 1.1771 1.0982 1.1993 0.1009 -0.0063 -0.0345 1004 GLU A C \n2435 O O . GLU A 312 ? 1.0493 0.9855 1.0893 0.1013 -0.0036 -0.0339 1004 GLU A O \n2436 C CB . GLU A 312 ? 1.2077 1.1246 1.2158 0.0850 -0.0114 -0.0294 1004 GLU A CB \n2437 C CG . GLU A 312 ? 1.2246 1.1282 1.2222 0.0836 -0.0212 -0.0291 1004 GLU A CG \n2438 C CD . GLU A 312 ? 1.3187 1.2237 1.3149 0.0741 -0.0269 -0.0258 1004 GLU A CD \n2439 O OE1 . GLU A 312 ? 1.0602 0.9566 1.0502 0.0721 -0.0348 -0.0252 1004 GLU A OE1 \n2440 O OE2 . GLU A 312 ? 1.0657 0.9800 1.0666 0.0687 -0.0234 -0.0240 1004 GLU A OE2 \n2441 N N . GLU A 313 ? 1.2401 1.1473 1.2526 0.1061 -0.0114 -0.0365 1005 GLU A N \n2442 C CA . GLU A 313 ? 1.3509 1.2601 1.3737 0.1134 -0.0139 -0.0386 1005 GLU A CA \n2443 C C . GLU A 313 ? 1.3670 1.2826 1.4002 0.1091 -0.0212 -0.0364 1005 GLU A C \n2444 O O . GLU A 313 ? 1.4257 1.3496 1.4739 0.1138 -0.0217 -0.0374 1005 GLU A O \n2445 C CB . GLU A 313 ? 1.3511 1.2418 1.3587 0.1197 -0.0184 -0.0413 1005 GLU A CB \n2446 C CG . GLU A 313 ? 1.4030 1.2900 1.4061 0.1280 -0.0100 -0.0447 1005 GLU A CG \n2447 C CD . GLU A 313 ? 1.4556 1.3215 1.4394 0.1332 -0.0146 -0.0473 1005 GLU A CD \n2448 O OE1 . GLU A 313 ? 1.2632 1.1232 1.2395 0.1395 -0.0079 -0.0501 1005 GLU A OE1 \n2449 O OE2 . GLU A 313 ? 1.3645 1.2187 1.3395 0.1308 -0.0248 -0.0464 1005 GLU A OE2 \n2450 N N . ASP A 314 ? 1.5115 1.4232 1.5368 0.1000 -0.0267 -0.0335 1006 ASP A N \n2451 C CA . ASP A 314 ? 1.5722 1.4894 1.6053 0.0947 -0.0330 -0.0311 1006 ASP A CA \n2452 C C . ASP A 314 ? 1.4561 1.3925 1.5094 0.0942 -0.0278 -0.0303 1006 ASP A C \n2453 O O . ASP A 314 ? 1.3729 1.3149 1.4371 0.0941 -0.0321 -0.0297 1006 ASP A O \n2454 C CB . ASP A 314 ? 1.5887 1.4996 1.6096 0.0848 -0.0378 -0.0282 1006 ASP A CB \n2455 C CG . ASP A 314 ? 1.5604 1.4523 1.5633 0.0840 -0.0461 -0.0283 1006 ASP A CG \n2456 O OD1 . ASP A 314 ? 1.4088 1.2927 1.4103 0.0902 -0.0506 -0.0302 1006 ASP A OD1 \n2457 O OD2 . ASP A 314 ? 1.4157 1.3007 1.4062 0.0771 -0.0484 -0.0264 1006 ASP A OD2 \n2458 N N . MET A 315 ? 1.2051 1.1505 1.2626 0.0935 -0.0190 -0.0302 1007 MET A N \n2459 C CA . MET A 315 ? 1.1385 1.1017 1.2148 0.0940 -0.0131 -0.0296 1007 MET A CA \n2460 C C . MET A 315 ? 1.2377 1.2057 1.3253 0.1037 -0.0090 -0.0325 1007 MET A C \n2461 O O . MET A 315 ? 1.3695 1.3422 1.4596 0.1075 -0.0003 -0.0339 1007 MET A O \n2462 C CB . MET A 315 ? 1.0381 1.0079 1.1136 0.0898 -0.0054 -0.0285 1007 MET A CB \n2463 C CG . MET A 315 ? 0.8406 0.8029 0.9019 0.0818 -0.0082 -0.0264 1007 MET A CG \n2464 S SD . MET A 315 ? 0.8532 0.8189 0.9172 0.0730 -0.0155 -0.0234 1007 MET A SD \n2465 C CE . MET A 315 ? 0.7163 0.7010 0.7988 0.0708 -0.0095 -0.0220 1007 MET A CE \n2466 N N . ASP A 316 ? 1.3918 1.3585 1.4860 0.1076 -0.0154 -0.0333 1008 ASP A N \n2467 C CA . ASP A 316 ? 1.3811 1.3507 1.4855 0.1176 -0.0130 -0.0363 1008 ASP A CA \n2468 C C . ASP A 316 ? 1.2967 1.2857 1.4229 0.1198 -0.0054 -0.0361 1008 ASP A C \n2469 O O . ASP A 316 ? 1.2923 1.2873 1.4204 0.1218 0.0041 -0.0370 1008 ASP A O \n2470 C CB . ASP A 316 ? 1.5407 1.5023 1.6457 0.1208 -0.0233 -0.0370 1008 ASP A CB \n2471 C CG . ASP A 316 ? 1.5026 1.4633 1.6144 0.1321 -0.0217 -0.0407 1008 ASP A CG \n2472 O OD1 . ASP A 316 ? 0.9855 0.9578 1.1165 0.1362 -0.0221 -0.0411 1008 ASP A OD1 \n2473 O OD2 . ASP A 316 ? 1.4722 1.4205 1.5703 0.1370 -0.0203 -0.0432 1008 ASP A OD2 \n2474 N N . ASP A 317 ? 1.2479 1.2462 1.3899 0.1192 -0.0101 -0.0349 1009 ASP A N \n2475 C CA . ASP A 317 ? 1.2146 1.2316 1.3785 0.1206 -0.0043 -0.0343 1009 ASP A CA \n2476 C C . ASP A 317 ? 1.1221 1.1469 1.2920 0.1116 -0.0074 -0.0308 1009 ASP A C \n2477 O O . ASP A 317 ? 0.8749 0.8976 1.0474 0.1092 -0.0163 -0.0295 1009 ASP A O \n2478 C CB . ASP A 317 ? 1.2222 1.2441 1.4022 0.1289 -0.0070 -0.0363 1009 ASP A CB \n2479 C CG . ASP A 317 ? 1.3698 1.3878 1.5478 0.1389 -0.0013 -0.0402 1009 ASP A CG \n2480 O OD1 . ASP A 317 ? 1.2606 1.2696 1.4365 0.1452 -0.0074 -0.0424 1009 ASP A OD1 \n2481 O OD2 . ASP A 317 ? 1.3719 1.3954 1.5501 0.1405 0.0093 -0.0411 1009 ASP A OD2 \n2482 N N . VAL A 318 ? 1.1107 1.1436 1.2818 0.1069 -0.0001 -0.0293 1010 VAL A N \n2483 C CA . VAL A 318 ? 0.9458 0.9838 1.1185 0.0980 -0.0025 -0.0261 1010 VAL A CA \n2484 C C . VAL A 318 ? 0.9217 0.9768 1.1124 0.0964 0.0032 -0.0246 1010 VAL A C \n2485 O O . VAL A 318 ? 0.9048 0.9681 1.1038 0.1007 0.0116 -0.0257 1010 VAL A O \n2486 C CB . VAL A 318 ? 0.9821 1.0111 1.1362 0.0917 -0.0015 -0.0251 1010 VAL A CB \n2487 C CG1 . VAL A 318 ? 1.0631 1.0754 1.2000 0.0916 -0.0088 -0.0259 1010 VAL A CG1 \n2488 C CG2 . VAL A 318 ? 0.9500 0.9808 1.0999 0.0932 0.0083 -0.0261 1010 VAL A CG2 \n2489 N N . VAL A 319 ? 0.7884 0.8483 0.9844 0.0900 -0.0012 -0.0220 1011 VAL A N \n2490 C CA . VAL A 319 ? 0.7216 0.7965 0.9330 0.0869 0.0028 -0.0200 1011 VAL A CA \n2491 C C . VAL A 319 ? 0.8856 0.9594 1.0883 0.0784 0.0028 -0.0178 1011 VAL A C \n2492 O O . VAL A 319 ? 0.7692 0.8361 0.9642 0.0738 -0.0042 -0.0167 1011 VAL A O \n2493 C CB . VAL A 319 ? 0.7737 0.8567 1.0028 0.0878 -0.0032 -0.0190 1011 VAL A CB \n2494 C CG1 . VAL A 319 ? 0.8115 0.9085 1.0547 0.0834 0.0001 -0.0166 1011 VAL A CG1 \n2495 C CG2 . VAL A 319 ? 0.6617 0.7479 0.9024 0.0967 -0.0028 -0.0212 1011 VAL A CG2 \n2496 N N . ASP A 320 ? 0.8943 0.9746 1.0983 0.0765 0.0108 -0.0171 1012 ASP A N \n2497 C CA . ASP A 320 ? 0.9051 0.9855 1.1025 0.0691 0.0117 -0.0152 1012 ASP A CA \n2498 C C . ASP A 320 ? 0.8442 0.9289 1.0489 0.0641 0.0053 -0.0130 1012 ASP A C \n2499 O O . ASP A 320 ? 0.7356 0.8291 0.9560 0.0656 0.0038 -0.0123 1012 ASP A O \n2500 C CB . ASP A 320 ? 0.9345 1.0230 1.1359 0.0685 0.0211 -0.0147 1012 ASP A CB \n2501 C CG . ASP A 320 ? 1.1620 1.2475 1.3527 0.0621 0.0224 -0.0133 1012 ASP A CG \n2502 O OD1 . ASP A 320 ? 1.2353 1.3109 1.4108 0.0617 0.0231 -0.0142 1012 ASP A OD1 \n2503 O OD2 . ASP A 320 ? 1.1828 1.2757 1.3807 0.0576 0.0226 -0.0114 1012 ASP A OD2 \n2504 N N . ALA A 321 ? 0.5800 0.6584 0.7737 0.0583 0.0016 -0.0120 1013 ALA A N \n2505 C CA . ALA A 321 ? 0.6606 0.7410 0.8583 0.0534 -0.0043 -0.0102 1013 ALA A CA \n2506 C C . ALA A 321 ? 0.7590 0.8517 0.9715 0.0514 -0.0017 -0.0084 1013 ALA A C \n2507 O O . ALA A 321 ? 0.7342 0.8301 0.9551 0.0497 -0.0072 -0.0071 1013 ALA A O \n2508 C CB . ALA A 321 ? 0.7095 0.7819 0.8927 0.0476 -0.0069 -0.0096 1013 ALA A CB \n2509 N N . ASP A 322 ? 0.6516 0.7502 0.8662 0.0513 0.0060 -0.0082 1014 ASP A N \n2510 C CA . ASP A 322 ? 0.8273 0.9376 1.0556 0.0493 0.0092 -0.0064 1014 ASP A CA \n2511 C C . ASP A 322 ? 0.8225 0.9420 1.0687 0.0536 0.0089 -0.0063 1014 ASP A C \n2512 O O . ASP A 322 ? 0.9168 1.0441 1.1756 0.0512 0.0063 -0.0044 1014 ASP A O \n2513 C CB . ASP A 322 ? 0.9484 1.0616 1.1736 0.0485 0.0179 -0.0063 1014 ASP A CB \n2514 C CG . ASP A 322 ? 0.9938 1.0991 1.2034 0.0441 0.0180 -0.0062 1014 ASP A CG \n2515 O OD1 . ASP A 322 ? 1.1208 1.2225 1.3216 0.0450 0.0234 -0.0071 1014 ASP A OD1 \n2516 O OD2 . ASP A 322 ? 1.0642 1.1666 1.2703 0.0398 0.0126 -0.0053 1014 ASP A OD2 \n2517 N N . GLU A 323 ? 0.7600 0.8784 1.0073 0.0599 0.0113 -0.0084 1015 GLU A N \n2518 C CA . GLU A 323 ? 0.9332 1.0605 1.1980 0.0651 0.0114 -0.0087 1015 GLU A CA \n2519 C C . GLU A 323 ? 0.8977 1.0222 1.1676 0.0658 0.0011 -0.0085 1015 GLU A C \n2520 O O . GLU A 323 ? 0.8178 0.9513 1.1049 0.0675 -0.0012 -0.0076 1015 GLU A O \n2521 C CB . GLU A 323 ? 0.9994 1.1254 1.2624 0.0723 0.0175 -0.0114 1015 GLU A CB \n2522 C CG . GLU A 323 ? 1.2026 1.3410 1.4854 0.0779 0.0213 -0.0119 1015 GLU A CG \n2523 C CD . GLU A 323 ? 1.3718 1.5076 1.6513 0.0854 0.0276 -0.0149 1015 GLU A CD \n2524 O OE1 . GLU A 323 ? 1.4469 1.5725 1.7086 0.0855 0.0310 -0.0163 1015 GLU A OE1 \n2525 O OE2 . GLU A 323 ? 1.4349 1.5786 1.7296 0.0915 0.0290 -0.0160 1015 GLU A OE2 \n2526 N N . TYR A 324 ? 0.7778 0.8895 1.0324 0.0642 -0.0050 -0.0091 1016 TYR A N \n2527 C CA . TYR A 324 ? 0.7955 0.9016 1.0509 0.0642 -0.0153 -0.0088 1016 TYR A CA \n2528 C C . TYR A 324 ? 0.8272 0.9353 1.0860 0.0577 -0.0208 -0.0063 1016 TYR A C \n2529 O O . TYR A 324 ? 0.9020 1.0115 1.1703 0.0581 -0.0279 -0.0054 1016 TYR A O \n2530 C CB . TYR A 324 ? 0.9663 1.0574 1.2032 0.0645 -0.0195 -0.0103 1016 TYR A CB \n2531 C CG . TYR A 324 ? 0.9966 1.0793 1.2290 0.0619 -0.0300 -0.0095 1016 TYR A CG \n2532 C CD1 . TYR A 324 ? 1.0568 1.1350 1.2801 0.0548 -0.0334 -0.0079 1016 TYR A CD1 \n2533 C CD2 . TYR A 324 ? 0.8997 0.9781 1.1360 0.0666 -0.0367 -0.0105 1016 TYR A CD2 \n2534 C CE1 . TYR A 324 ? 1.1146 1.1843 1.3324 0.0522 -0.0426 -0.0072 1016 TYR A CE1 \n2535 C CE2 . TYR A 324 ? 0.9442 1.0137 1.1751 0.0638 -0.0466 -0.0097 1016 TYR A CE2 \n2536 C CZ . TYR A 324 ? 1.1348 1.1998 1.3559 0.0564 -0.0493 -0.0080 1016 TYR A CZ \n2537 O OH . TYR A 324 ? 1.0923 1.1476 1.3063 0.0534 -0.0587 -0.0072 1016 TYR A OH \n2538 N N . LEU A 325 ? 0.8852 0.9924 1.1356 0.0521 -0.0179 -0.0052 1017 LEU A N \n2539 C CA . LEU A 325 ? 0.8728 0.9807 1.1242 0.0460 -0.0225 -0.0031 1017 LEU A CA \n2540 C C . LEU A 325 ? 0.8820 1.0022 1.1468 0.0439 -0.0178 -0.0013 1017 LEU A C \n2541 O O . LEU A 325 ? 0.9603 1.0889 1.2414 0.0449 -0.0201 0.0000 1017 LEU A O \n2542 C CB . LEU A 325 ? 1.1072 1.2053 1.3403 0.0410 -0.0233 -0.0031 1017 LEU A CB \n2543 C CG . LEU A 325 ? 1.3628 1.4608 1.5937 0.0346 -0.0258 -0.0014 1017 LEU A CG \n2544 C CD1 . LEU A 325 ? 1.4320 1.5260 1.6651 0.0327 -0.0351 -0.0003 1017 LEU A CD1 \n2545 C CD2 . LEU A 325 ? 1.2948 1.3856 1.5092 0.0310 -0.0236 -0.0020 1017 LEU A CD2 \n2546 C C1 . W32 B . ? 0.3488 0.3979 0.4502 -0.0021 -0.0090 -0.0069 1101 W32 A C1 \n2547 C C2 . W32 B . ? 0.3304 0.3824 0.4388 0.0006 -0.0086 -0.0068 1101 W32 A C2 \n2548 C C3 . W32 B . ? 0.3084 0.3425 0.3969 0.0079 -0.0063 -0.0070 1101 W32 A C3 \n2549 C C4 . W32 B . ? 0.3327 0.3768 0.4287 -0.0018 -0.0102 -0.0066 1101 W32 A C4 \n2550 C C5 . W32 B . ? 0.3174 0.3543 0.4079 0.0049 -0.0078 -0.0067 1101 W32 A C5 \n2551 C C6 . W32 B . ? 0.3119 0.3574 0.4166 0.0048 -0.0099 -0.0067 1101 W32 A C6 \n2552 C C7 . W32 B . ? 0.3057 0.3331 0.3928 0.0119 -0.0105 -0.0074 1101 W32 A C7 \n2553 C C8 . W32 B . ? 0.3558 0.3896 0.4565 0.0258 0.0003 -0.0094 1101 W32 A C8 \n2554 C C9 . W32 B . ? 0.4116 0.4324 0.4927 0.0225 -0.0010 -0.0092 1101 W32 A C9 \n2555 C C10 . W32 B . ? 0.2743 0.3251 0.3848 0.0040 -0.0089 -0.0066 1101 W32 A C10 \n2556 C C11 . W32 B . ? 0.3278 0.3571 0.4143 0.0114 -0.0073 -0.0074 1101 W32 A C11 \n2557 C C12 . W32 B . ? 0.3650 0.4069 0.4621 0.0017 -0.0109 -0.0066 1101 W32 A C12 \n2558 C C13 . W32 B . ? 0.3118 0.3462 0.4019 0.0051 -0.0108 -0.0067 1101 W32 A C13 \n2559 C C14 . W32 B . ? 0.3293 0.3590 0.4181 0.0086 -0.0125 -0.0070 1101 W32 A C14 \n2560 C C15 . W32 B . ? 0.3358 0.3580 0.4212 0.0274 0.0021 -0.0101 1101 W32 A C15 \n2561 C C16 . W32 B . ? 0.4117 0.4379 0.4987 0.0196 -0.0029 -0.0086 1101 W32 A C16 \n2562 C C17 . W32 B . ? 0.4094 0.4229 0.4802 0.0202 -0.0026 -0.0089 1101 W32 A C17 \n2563 C C18 . W32 B . ? 0.3766 0.3848 0.4408 0.0216 -0.0008 -0.0092 1101 W32 A C18 \n2564 C C19 . W32 B . ? 0.5119 0.5121 0.5659 0.0185 -0.0041 -0.0086 1101 W32 A C19 \n2565 C C20 . W32 B . ? 0.4085 0.4176 0.4743 0.0256 0.0042 -0.0100 1101 W32 A C20 \n2566 C C21 . W32 B . ? 0.3992 0.4070 0.4671 0.0306 0.0046 -0.0112 1101 W32 A C21 \n2567 C C22 . W32 B . ? 1.0864 1.0790 1.1254 0.0035 -0.0118 -0.0045 1101 W32 A C22 \n2568 C C23 . W32 B . ? 0.6635 0.6600 0.7102 0.0099 -0.0106 -0.0066 1101 W32 A C23 \n2569 C C24 . W32 B . ? 0.7736 0.7706 0.8194 0.0090 -0.0088 -0.0063 1101 W32 A C24 \n2570 C C25 . W32 B . ? 0.2907 0.3458 0.4100 0.0068 -0.0081 -0.0064 1101 W32 A C25 \n2571 N N26 . W32 B . ? 0.3345 0.3640 0.4305 0.0291 0.0030 -0.0102 1101 W32 A N26 \n2572 N N27 . W32 B . ? 0.3665 0.3987 0.4627 0.0212 -0.0024 -0.0087 1101 W32 A N27 \n2573 N N28 . W32 B . ? 0.3585 0.3756 0.4385 0.0312 0.0051 -0.0111 1101 W32 A N28 \n2574 N N29 . W32 B . ? 0.3213 0.3467 0.4044 0.0147 -0.0055 -0.0079 1101 W32 A N29 \n2575 N N30 . W32 B . ? 0.4898 0.4922 0.5444 0.0136 -0.0073 -0.0075 1101 W32 A N30 \n2576 O O31 . W32 B . ? 0.6301 0.6221 0.6755 0.0204 -0.0040 -0.0090 1101 W32 A O31 \n2577 O O32 . W32 B . ? 0.7976 0.7911 0.8373 0.0001 -0.0162 -0.0040 1101 W32 A O32 \n2578 O O33 . W32 B . ? 1.0303 1.0076 1.0557 0.0072 -0.0152 -0.0054 1101 W32 A O33 \n2579 O O34 . W32 B . ? 0.3399 0.3755 0.4303 0.0020 -0.0125 -0.0064 1101 W32 A O34 \n2580 F F35 . W32 B . ? 0.3839 0.4435 0.5071 0.0076 -0.0044 -0.0063 1101 W32 A F35 \n2581 F F36 . W32 B . ? 0.3739 0.4273 0.4947 0.0101 -0.0087 -0.0064 1101 W32 A F36 \n2582 F F37 . W32 B . ? 0.3464 0.4030 0.4690 0.0054 -0.0102 -0.0061 1101 W32 A F37 \n2583 S S38 . W32 B . ? 1.0567 1.0459 1.0932 0.0047 -0.0136 -0.0050 1101 W32 A S38 \n2584 CL CL1 . W32 B . ? 0.3946 0.4202 0.4828 0.0089 -0.0173 -0.0069 1101 W32 A CL1 \n# \nloop_\n_pdbx_poly_seq_scheme.asym_id \n_pdbx_poly_seq_scheme.entity_id \n_pdbx_poly_seq_scheme.seq_id \n_pdbx_poly_seq_scheme.mon_id \n_pdbx_poly_seq_scheme.ndb_seq_num \n_pdbx_poly_seq_scheme.pdb_seq_num \n_pdbx_poly_seq_scheme.auth_seq_num \n_pdbx_poly_seq_scheme.pdb_mon_id \n_pdbx_poly_seq_scheme.auth_mon_id \n_pdbx_poly_seq_scheme.pdb_strand_id \n_pdbx_poly_seq_scheme.pdb_ins_code \n_pdbx_poly_seq_scheme.hetero \nA 1 1 GLY 1 693 ? ? ? A . n \nA 1 2 ALA 2 694 ? ? ? A . n \nA 1 3 MET 3 695 ? ? ? A . n \nA 1 4 GLY 4 696 ? ? ? A . n \nA 1 5 GLU 5 697 ? ? ? A . n \nA 1 6 ALA 6 698 ? ? ? A . n \nA 1 7 PRO 7 699 ? ? ? A . n \nA 1 8 ASN 8 700 ? ? ? A . n \nA 1 9 GLN 9 701 701 GLN GLN A . n \nA 1 10 ALA 10 702 702 ALA ALA A . n \nA 1 11 LEU 11 703 703 LEU LEU A . n \nA 1 12 LEU 12 704 704 LEU LEU A . n \nA 1 13 ARG 13 705 705 ARG ARG A . n \nA 1 14 ILE 14 706 706 ILE ILE A . n \nA 1 15 LEU 15 707 707 LEU LEU A . n \nA 1 16 LYS 16 708 708 LYS LYS A . n \nA 1 17 GLU 17 709 709 GLU GLU A . n \nA 1 18 THR 18 710 710 THR THR A . n \nA 1 19 GLU 19 711 711 GLU GLU A . n \nA 1 20 PHE 20 712 712 PHE PHE A . n \nA 1 21 LYS 21 713 713 LYS LYS A . n \nA 1 22 LYS 22 714 714 LYS LYS A . n \nA 1 23 ILE 23 715 715 ILE ILE A . n \nA 1 24 LYS 24 716 716 LYS LYS A . n \nA 1 25 VAL 25 717 717 VAL VAL A . n \nA 1 26 LEU 26 718 718 LEU LEU A . n \nA 1 27 GLY 27 719 719 GLY GLY A . n \nA 1 28 SER 28 720 720 SER SER A . n \nA 1 29 GLY 29 721 721 GLY GLY A . n \nA 1 30 ALA 30 722 722 ALA ALA A . n \nA 1 31 PHE 31 723 723 PHE PHE A . n \nA 1 32 GLY 32 724 724 GLY GLY A . n \nA 1 33 THR 33 725 725 THR THR A . n \nA 1 34 VAL 34 726 726 VAL VAL A . n \nA 1 35 TYR 35 727 727 TYR TYR A . n \nA 1 36 LYS 36 728 728 LYS LYS A . n \nA 1 37 GLY 37 729 729 GLY GLY A . n \nA 1 38 LEU 38 730 730 LEU LEU A . n \nA 1 39 TRP 39 731 731 TRP TRP A . n \nA 1 40 ILE 40 732 732 ILE ILE A . n \nA 1 41 PRO 41 733 733 PRO PRO A . n \nA 1 42 GLU 42 734 734 GLU GLU A . n \nA 1 43 GLY 43 735 735 GLY GLY A . n \nA 1 44 GLU 44 736 736 GLU GLU A . n \nA 1 45 LYS 45 737 737 LYS LYS A . n \nA 1 46 VAL 46 738 738 VAL VAL A . n \nA 1 47 LYS 47 739 739 LYS LYS A . n \nA 1 48 ILE 48 740 740 ILE ILE A . n \nA 1 49 PRO 49 741 741 PRO PRO A . n \nA 1 50 VAL 50 742 742 VAL VAL A . n \nA 1 51 ALA 51 743 743 ALA ALA A . n \nA 1 52 ILE 52 744 744 ILE ILE A . n \nA 1 53 LYS 53 745 745 LYS LYS A . n \nA 1 54 GLU 54 746 746 GLU GLU A . n \nA 1 55 LEU 55 747 747 LEU LEU A . n \nA 1 56 ARG 56 748 748 ARG ARG A . n \nA 1 57 GLU 57 749 749 GLU GLU A . n \nA 1 58 ALA 58 750 750 ALA ALA A . n \nA 1 59 THR 59 751 751 THR THR A . n \nA 1 60 SER 60 752 752 SER SER A . n \nA 1 61 PRO 61 753 753 PRO PRO A . n \nA 1 62 LYS 62 754 754 LYS LYS A . n \nA 1 63 ALA 63 755 755 ALA ALA A . n \nA 1 64 ASN 64 756 756 ASN ASN A . n \nA 1 65 LYS 65 757 757 LYS LYS A . n \nA 1 66 GLU 66 758 758 GLU GLU A . n \nA 1 67 ILE 67 759 759 ILE ILE A . n \nA 1 68 LEU 68 760 760 LEU LEU A . n \nA 1 69 ASP 69 761 761 ASP ASP A . n \nA 1 70 GLU 70 762 762 GLU GLU A . n \nA 1 71 ALA 71 763 763 ALA ALA A . n \nA 1 72 TYR 72 764 764 TYR TYR A . n \nA 1 73 VAL 73 765 765 VAL VAL A . n \nA 1 74 MET 74 766 766 MET MET A . n \nA 1 75 ALA 75 767 767 ALA ALA A . n \nA 1 76 SER 76 768 768 SER SER A . n \nA 1 77 VAL 77 769 769 VAL VAL A . n \nA 1 78 ASP 78 770 770 ASP ASP A . n \nA 1 79 ASN 79 771 771 ASN ASN A . n \nA 1 80 PRO 80 772 772 PRO PRO A . n \nA 1 81 HIS 81 773 773 HIS HIS A . n \nA 1 82 VAL 82 774 774 VAL VAL A . n \nA 1 83 CYS 83 775 775 CYS CYS A . n \nA 1 84 ARG 84 776 776 ARG ARG A . n \nA 1 85 LEU 85 777 777 LEU LEU A . n \nA 1 86 LEU 86 778 778 LEU LEU A . n \nA 1 87 GLY 87 779 779 GLY GLY A . n \nA 1 88 ILE 88 780 780 ILE ILE A . n \nA 1 89 CYS 89 781 781 CYS CYS A . n \nA 1 90 LEU 90 782 782 LEU LEU A . n \nA 1 91 THR 91 783 783 THR THR A . n \nA 1 92 SER 92 784 784 SER SER A . n \nA 1 93 THR 93 785 785 THR THR A . n \nA 1 94 VAL 94 786 786 VAL VAL A . n \nA 1 95 GLN 95 787 787 GLN GLN A . n \nA 1 96 LEU 96 788 788 LEU LEU A . n \nA 1 97 ILE 97 789 789 ILE ILE A . n \nA 1 98 THR 98 790 790 THR THR A . n \nA 1 99 GLN 99 791 791 GLN GLN A . n \nA 1 100 LEU 100 792 792 LEU LEU A . n \nA 1 101 MET 101 793 793 MET MET A . n \nA 1 102 PRO 102 794 794 PRO PRO A . n \nA 1 103 PHE 103 795 795 PHE PHE A . n \nA 1 104 GLY 104 796 796 GLY GLY A . n \nA 1 105 CYS 105 797 797 CYS CYS A . n \nA 1 106 LEU 106 798 798 LEU LEU A . n \nA 1 107 LEU 107 799 799 LEU LEU A . n \nA 1 108 ASP 108 800 800 ASP ASP A . n \nA 1 109 TYR 109 801 801 TYR TYR A . n \nA 1 110 VAL 110 802 802 VAL VAL A . n \nA 1 111 ARG 111 803 803 ARG ARG A . n \nA 1 112 GLU 112 804 804 GLU GLU A . n \nA 1 113 HIS 113 805 805 HIS HIS A . n \nA 1 114 LYS 114 806 806 LYS LYS A . n \nA 1 115 ASP 115 807 807 ASP ASP A . n \nA 1 116 ASN 116 808 808 ASN ASN A . n \nA 1 117 ILE 117 809 809 ILE ILE A . n \nA 1 118 GLY 118 810 810 GLY GLY A . n \nA 1 119 SER 119 811 811 SER SER A . n \nA 1 120 GLN 120 812 812 GLN GLN A . n \nA 1 121 TYR 121 813 813 TYR TYR A . n \nA 1 122 LEU 122 814 814 LEU LEU A . n \nA 1 123 LEU 123 815 815 LEU LEU A . n \nA 1 124 ASN 124 816 816 ASN ASN A . n \nA 1 125 TRP 125 817 817 TRP TRP A . n \nA 1 126 CYS 126 818 818 CYS CYS A . n \nA 1 127 VAL 127 819 819 VAL VAL A . n \nA 1 128 GLN 128 820 820 GLN GLN A . n \nA 1 129 ILE 129 821 821 ILE ILE A . n \nA 1 130 ALA 130 822 822 ALA ALA A . n \nA 1 131 LYS 131 823 823 LYS LYS A . n \nA 1 132 GLY 132 824 824 GLY GLY A . n \nA 1 133 MET 133 825 825 MET MET A . n \nA 1 134 ASN 134 826 826 ASN ASN A . n \nA 1 135 TYR 135 827 827 TYR TYR A . n \nA 1 136 LEU 136 828 828 LEU LEU A . n \nA 1 137 GLU 137 829 829 GLU GLU A . n \nA 1 138 ASP 138 830 830 ASP ASP A . n \nA 1 139 ARG 139 831 831 ARG ARG A . n \nA 1 140 ARG 140 832 832 ARG ARG A . n \nA 1 141 LEU 141 833 833 LEU LEU A . n \nA 1 142 VAL 142 834 834 VAL VAL A . n \nA 1 143 HIS 143 835 835 HIS HIS A . n \nA 1 144 ARG 144 836 836 ARG ARG A . n \nA 1 145 ASP 145 837 837 ASP ASP A . n \nA 1 146 LEU 146 838 838 LEU LEU A . n \nA 1 147 ALA 147 839 839 ALA ALA A . n \nA 1 148 ALA 148 840 840 ALA ALA A . n \nA 1 149 ARG 149 841 841 ARG ARG A . n \nA 1 150 ASN 150 842 842 ASN ASN A . n \nA 1 151 VAL 151 843 843 VAL VAL A . n \nA 1 152 LEU 152 844 844 LEU LEU A . n \nA 1 153 VAL 153 845 845 VAL VAL A . n \nA 1 154 LYS 154 846 846 LYS LYS A . n \nA 1 155 THR 155 847 847 THR THR A . n \nA 1 156 PRO 156 848 848 PRO PRO A . n \nA 1 157 GLN 157 849 849 GLN GLN A . n \nA 1 158 HIS 158 850 850 HIS HIS A . n \nA 1 159 VAL 159 851 851 VAL VAL A . n \nA 1 160 LYS 160 852 852 LYS LYS A . n \nA 1 161 ILE 161 853 853 ILE ILE A . n \nA 1 162 THR 162 854 854 THR THR A . n \nA 1 163 ASP 163 855 855 ASP ASP A . n \nA 1 164 PHE 164 856 856 PHE PHE A . n \nA 1 165 GLY 165 857 857 GLY GLY A . n \nA 1 166 LEU 166 858 858 LEU LEU A . n \nA 1 167 ALA 167 859 859 ALA ALA A . n \nA 1 168 LYS 168 860 860 LYS LYS A . n \nA 1 169 LEU 169 861 861 LEU LEU A . n \nA 1 170 LEU 170 862 862 LEU LEU A . n \nA 1 171 GLY 171 863 863 GLY GLY A . n \nA 1 172 ALA 172 864 864 ALA ALA A . n \nA 1 173 GLU 173 865 865 GLU GLU A . n \nA 1 174 GLU 174 866 866 GLU GLU A . n \nA 1 175 LYS 175 867 867 LYS LYS A . n \nA 1 176 GLU 176 868 868 GLU GLU A . n \nA 1 177 TYR 177 869 869 TYR TYR A . n \nA 1 178 HIS 178 870 870 HIS HIS A . n \nA 1 179 ALA 179 871 871 ALA ALA A . n \nA 1 180 GLU 180 872 872 GLU GLU A . n \nA 1 181 GLY 181 873 873 GLY GLY A . n \nA 1 182 GLY 182 874 874 GLY GLY A . n \nA 1 183 LYS 183 875 875 LYS LYS A . n \nA 1 184 VAL 184 876 876 VAL VAL A . n \nA 1 185 PRO 185 877 877 PRO PRO A . n \nA 1 186 ILE 186 878 878 ILE ILE A . n \nA 1 187 LYS 187 879 879 LYS LYS A . n \nA 1 188 TRP 188 880 880 TRP TRP A . n \nA 1 189 MET 189 881 881 MET MET A . n \nA 1 190 ALA 190 882 882 ALA ALA A . n \nA 1 191 LEU 191 883 883 LEU LEU A . n \nA 1 192 GLU 192 884 884 GLU GLU A . n \nA 1 193 SER 193 885 885 SER SER A . n \nA 1 194 ILE 194 886 886 ILE ILE A . n \nA 1 195 LEU 195 887 887 LEU LEU A . n \nA 1 196 HIS 196 888 888 HIS HIS A . n \nA 1 197 ARG 197 889 889 ARG ARG A . n \nA 1 198 ILE 198 890 890 ILE ILE A . n \nA 1 199 TYR 199 891 891 TYR TYR A . n \nA 1 200 THR 200 892 892 THR THR A . n \nA 1 201 HIS 201 893 893 HIS HIS A . n \nA 1 202 GLN 202 894 894 GLN GLN A . n \nA 1 203 SER 203 895 895 SER SER A . n \nA 1 204 ASP 204 896 896 ASP ASP A . n \nA 1 205 VAL 205 897 897 VAL VAL A . n \nA 1 206 TRP 206 898 898 TRP TRP A . n \nA 1 207 SER 207 899 899 SER SER A . n \nA 1 208 TYR 208 900 900 TYR TYR A . n \nA 1 209 GLY 209 901 901 GLY GLY A . n \nA 1 210 VAL 210 902 902 VAL VAL A . n \nA 1 211 THR 211 903 903 THR THR A . n \nA 1 212 VAL 212 904 904 VAL VAL A . n \nA 1 213 TRP 213 905 905 TRP TRP A . n \nA 1 214 GLU 214 906 906 GLU GLU A . n \nA 1 215 LEU 215 907 907 LEU LEU A . n \nA 1 216 MET 216 908 908 MET MET A . n \nA 1 217 THR 217 909 909 THR THR A . n \nA 1 218 PHE 218 910 910 PHE PHE A . n \nA 1 219 GLY 219 911 911 GLY GLY A . n \nA 1 220 SER 220 912 912 SER SER A . n \nA 1 221 LYS 221 913 913 LYS LYS A . n \nA 1 222 PRO 222 914 914 PRO PRO A . n \nA 1 223 TYR 223 915 915 TYR TYR A . n \nA 1 224 ASP 224 916 916 ASP ASP A . n \nA 1 225 GLY 225 917 917 GLY GLY A . n \nA 1 226 ILE 226 918 918 ILE ILE A . n \nA 1 227 PRO 227 919 919 PRO PRO A . n \nA 1 228 ALA 228 920 920 ALA ALA A . n \nA 1 229 SER 229 921 921 SER SER A . n \nA 1 230 GLU 230 922 922 GLU GLU A . n \nA 1 231 ILE 231 923 923 ILE ILE A . n \nA 1 232 SER 232 924 924 SER SER A . n \nA 1 233 SER 233 925 925 SER SER A . n \nA 1 234 ILE 234 926 926 ILE ILE A . n \nA 1 235 LEU 235 927 927 LEU LEU A . n \nA 1 236 GLU 236 928 928 GLU GLU A . n \nA 1 237 LYS 237 929 929 LYS LYS A . n \nA 1 238 GLY 238 930 930 GLY GLY A . n \nA 1 239 GLU 239 931 931 GLU GLU A . n \nA 1 240 ARG 240 932 932 ARG ARG A . n \nA 1 241 LEU 241 933 933 LEU LEU A . n \nA 1 242 PRO 242 934 934 PRO PRO A . n \nA 1 243 GLN 243 935 935 GLN GLN A . n \nA 1 244 PRO 244 936 936 PRO PRO A . n \nA 1 245 PRO 245 937 937 PRO PRO A . n \nA 1 246 ILE 246 938 938 ILE ILE A . n \nA 1 247 CYS 247 939 939 CYS CYS A . n \nA 1 248 THR 248 940 940 THR THR A . n \nA 1 249 ILE 249 941 941 ILE ILE A . n \nA 1 250 ASP 250 942 942 ASP ASP A . n \nA 1 251 VAL 251 943 943 VAL VAL A . n \nA 1 252 TYR 252 944 944 TYR TYR A . n \nA 1 253 MET 253 945 945 MET MET A . n \nA 1 254 ILE 254 946 946 ILE ILE A . n \nA 1 255 MET 255 947 947 MET MET A . n \nA 1 256 VAL 256 948 948 VAL VAL A . n \nA 1 257 LYS 257 949 949 LYS LYS A . n \nA 1 258 CYS 258 950 950 CYS CYS A . n \nA 1 259 TRP 259 951 951 TRP TRP A . n \nA 1 260 MET 260 952 952 MET MET A . n \nA 1 261 ILE 261 953 953 ILE ILE A . n \nA 1 262 ASP 262 954 954 ASP ASP A . n \nA 1 263 ALA 263 955 955 ALA ALA A . n \nA 1 264 ASP 264 956 956 ASP ASP A . n \nA 1 265 SER 265 957 957 SER SER A . n \nA 1 266 ARG 266 958 958 ARG ARG A . n \nA 1 267 PRO 267 959 959 PRO PRO A . n \nA 1 268 LYS 268 960 960 LYS LYS A . n \nA 1 269 PHE 269 961 961 PHE PHE A . n \nA 1 270 ARG 270 962 962 ARG ARG A . n \nA 1 271 GLU 271 963 963 GLU GLU A . n \nA 1 272 LEU 272 964 964 LEU LEU A . n \nA 1 273 ILE 273 965 965 ILE ILE A . n \nA 1 274 ILE 274 966 966 ILE ILE A . n \nA 1 275 GLU 275 967 967 GLU GLU A . n \nA 1 276 PHE 276 968 968 PHE PHE A . n \nA 1 277 SER 277 969 969 SER SER A . n \nA 1 278 LYS 278 970 970 LYS LYS A . n \nA 1 279 MET 279 971 971 MET MET A . n \nA 1 280 ALA 280 972 972 ALA ALA A . n \nA 1 281 ARG 281 973 973 ARG ARG A . n \nA 1 282 ASP 282 974 974 ASP ASP A . n \nA 1 283 PRO 283 975 975 PRO PRO A . n \nA 1 284 GLN 284 976 976 GLN GLN A . n \nA 1 285 ARG 285 977 977 ARG ARG A . n \nA 1 286 TYR 286 978 978 TYR TYR A . n \nA 1 287 LEU 287 979 979 LEU LEU A . n \nA 1 288 VAL 288 980 980 VAL VAL A . n \nA 1 289 ILE 289 981 981 ILE ILE A . n \nA 1 290 GLN 290 982 982 GLN GLN A . n \nA 1 291 GLY 291 983 983 GLY GLY A . n \nA 1 292 ASP 292 984 984 ASP ASP A . n \nA 1 293 GLU 293 985 985 GLU GLU A . n \nA 1 294 ARG 294 986 986 ARG ARG A . n \nA 1 295 MET 295 987 987 MET MET A . n \nA 1 296 HIS 296 988 988 HIS HIS A . n \nA 1 297 LEU 297 989 989 LEU LEU A . n \nA 1 298 PRO 298 990 990 PRO PRO A . n \nA 1 299 SER 299 991 991 SER SER A . n \nA 1 300 PRO 300 992 992 PRO PRO A . n \nA 1 301 THR 301 993 993 THR THR A . n \nA 1 302 ASP 302 994 994 ASP ASP A . n \nA 1 303 SER 303 995 995 SER SER A . n \nA 1 304 ASN 304 996 996 ASN ASN A . n \nA 1 305 PHE 305 997 997 PHE PHE A . n \nA 1 306 TYR 306 998 998 TYR TYR A . n \nA 1 307 ARG 307 999 999 ARG ARG A . n \nA 1 308 ALA 308 1000 1000 ALA ALA A . n \nA 1 309 LEU 309 1001 1001 LEU LEU A . n \nA 1 310 MET 310 1002 1002 MET MET A . n \nA 1 311 ASP 311 1003 1003 ASP ASP A . n \nA 1 312 GLU 312 1004 1004 GLU GLU A . n \nA 1 313 GLU 313 1005 1005 GLU GLU A . n \nA 1 314 ASP 314 1006 1006 ASP ASP A . n \nA 1 315 MET 315 1007 1007 MET MET A . n \nA 1 316 ASP 316 1008 1008 ASP ASP A . n \nA 1 317 ASP 317 1009 1009 ASP ASP A . n \nA 1 318 VAL 318 1010 1010 VAL VAL A . n \nA 1 319 VAL 319 1011 1011 VAL VAL A . n \nA 1 320 ASP 320 1012 1012 ASP ASP A . n \nA 1 321 ALA 321 1013 1013 ALA ALA A . n \nA 1 322 ASP 322 1014 1014 ASP ASP A . n \nA 1 323 GLU 323 1015 1015 GLU GLU A . n \nA 1 324 TYR 324 1016 1016 TYR TYR A . n \nA 1 325 LEU 325 1017 1017 LEU LEU A . n \nA 1 326 ILE 326 1018 ? ? ? A . n \nA 1 327 PRO 327 1019 ? ? ? A . n \nA 1 328 GLN 328 1020 ? ? ? A . n \nA 1 329 GLN 329 1021 ? ? ? A . n \nA 1 330 GLY 330 1022 ? ? ? A . n \n# \n_pdbx_struct_assembly.id 1 \n_pdbx_struct_assembly.details author_and_software_defined_assembly \n_pdbx_struct_assembly.method_details PISA \n_pdbx_struct_assembly.oligomeric_details monomeric \n_pdbx_struct_assembly.oligomeric_count 1 \n# \n_pdbx_struct_assembly_gen.assembly_id 1 \n_pdbx_struct_assembly_gen.oper_expression 1 \n_pdbx_struct_assembly_gen.asym_id_list A,B,C,D \n# \n_pdbx_struct_oper_list.id 1 \n_pdbx_struct_oper_list.type 'identity operation' \n_pdbx_struct_oper_list.name 1_555 \n_pdbx_struct_oper_list.symmetry_operation x,y,z \n_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 \n_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 \n_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 \n_pdbx_struct_oper_list.vector[3] 0.0000000000 \n# \nloop_\n_pdbx_audit_revision_history.ordinal \n_pdbx_audit_revision_history.data_content_type \n_pdbx_audit_revision_history.major_revision \n_pdbx_audit_revision_history.minor_revision \n_pdbx_audit_revision_history.revision_date \n1 'Structure model' 1 0 2013-03-06 \n2 'Structure model' 1 1 2013-08-14 \n# \n_pdbx_audit_revision_details.ordinal 1 \n_pdbx_audit_revision_details.revision_ordinal 1 \n_pdbx_audit_revision_details.data_content_type 'Structure model' \n_pdbx_audit_revision_details.provider repository \n_pdbx_audit_revision_details.type 'Initial release' \n_pdbx_audit_revision_details.description ? \n# \n_pdbx_audit_revision_group.ordinal 1 \n_pdbx_audit_revision_group.revision_ordinal 2 \n_pdbx_audit_revision_group.data_content_type 'Structure model' \n_pdbx_audit_revision_group.group 'Database references' \n# \n_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' \n_pdbx_refine_tls.id 1 \n_pdbx_refine_tls.details ? \n_pdbx_refine_tls.method refined \n_pdbx_refine_tls.origin_x 18.7873 \n_pdbx_refine_tls.origin_y 25.9155 \n_pdbx_refine_tls.origin_z 14.3167 \n_pdbx_refine_tls.T[1][1] 0.0200 \n_pdbx_refine_tls.T[2][2] 0.0753 \n_pdbx_refine_tls.T[3][3] 0.1267 \n_pdbx_refine_tls.T[1][2] 0.0062 \n_pdbx_refine_tls.T[1][3] 0.0065 \n_pdbx_refine_tls.T[2][3] -0.0066 \n_pdbx_refine_tls.L[1][1] 0.1474 \n_pdbx_refine_tls.L[2][2] 0.8224 \n_pdbx_refine_tls.L[3][3] 0.5626 \n_pdbx_refine_tls.L[1][2] 0.1030 \n_pdbx_refine_tls.L[1][3] 0.2626 \n_pdbx_refine_tls.L[2][3] -0.0418 \n_pdbx_refine_tls.S[1][1] -0.0344 \n_pdbx_refine_tls.S[1][2] -0.0030 \n_pdbx_refine_tls.S[1][3] -0.0099 \n_pdbx_refine_tls.S[2][1] 0.0695 \n_pdbx_refine_tls.S[2][2] 0.0195 \n_pdbx_refine_tls.S[2][3] 0.0685 \n_pdbx_refine_tls.S[3][1] -0.0921 \n_pdbx_refine_tls.S[3][2] -0.0269 \n_pdbx_refine_tls.S[3][3] 0.0149 \n# \nloop_\n_pdbx_refine_tls_group.pdbx_refine_id \n_pdbx_refine_tls_group.id \n_pdbx_refine_tls_group.refine_tls_id \n_pdbx_refine_tls_group.beg_auth_asym_id \n_pdbx_refine_tls_group.beg_auth_seq_id \n_pdbx_refine_tls_group.beg_label_asym_id \n_pdbx_refine_tls_group.beg_label_seq_id \n_pdbx_refine_tls_group.end_auth_asym_id \n_pdbx_refine_tls_group.end_auth_seq_id \n_pdbx_refine_tls_group.end_label_asym_id \n_pdbx_refine_tls_group.end_label_seq_id \n_pdbx_refine_tls_group.selection \n_pdbx_refine_tls_group.selection_details \n'X-RAY DIFFRACTION' 1 1 A 701 ? ? A 1017 ? ? ? ? \n'X-RAY DIFFRACTION' 2 1 A 1101 ? ? A 1101 ? ? ? ? \n# \nloop_\n_software.name \n_software.classification \n_software.version \n_software.citation_id \n_software.pdbx_ordinal \nADSC 'data collection' Quantum ? 1 \nMOLREP phasing . ? 2 \nREFMAC refinement 5.7.0029 ? 3 \nHKL-2000 'data reduction' . ? 4 \nHKL-2000 'data scaling' . ? 5 \n# \nloop_\n_pdbx_validate_torsion.id \n_pdbx_validate_torsion.PDB_model_num \n_pdbx_validate_torsion.auth_comp_id \n_pdbx_validate_torsion.auth_asym_id \n_pdbx_validate_torsion.auth_seq_id \n_pdbx_validate_torsion.PDB_ins_code \n_pdbx_validate_torsion.label_alt_id \n_pdbx_validate_torsion.phi \n_pdbx_validate_torsion.psi \n1 1 LEU A 718 ? ? -97.29 -61.72 \n2 1 THR A 783 ? ? -137.24 -130.68 \n3 1 ARG A 836 ? ? 76.05 -4.36 \n4 1 ASP A 837 ? ? -148.74 39.52 \n5 1 ARG A 986 ? ? -100.19 60.75 \n6 1 ASP A 1008 ? ? -70.75 -90.39 \n# \nloop_\n_pdbx_unobs_or_zero_occ_residues.id \n_pdbx_unobs_or_zero_occ_residues.PDB_model_num \n_pdbx_unobs_or_zero_occ_residues.polymer_flag \n_pdbx_unobs_or_zero_occ_residues.occupancy_flag \n_pdbx_unobs_or_zero_occ_residues.auth_asym_id \n_pdbx_unobs_or_zero_occ_residues.auth_comp_id \n_pdbx_unobs_or_zero_occ_residues.auth_seq_id \n_pdbx_unobs_or_zero_occ_residues.PDB_ins_code \n_pdbx_unobs_or_zero_occ_residues.label_asym_id \n_pdbx_unobs_or_zero_occ_residues.label_comp_id \n_pdbx_unobs_or_zero_occ_residues.label_seq_id \n1 1 Y 1 A GLY 693 ? A GLY 1 \n2 1 Y 1 A ALA 694 ? A ALA 2 \n3 1 Y 1 A MET 695 ? A MET 3 \n4 1 Y 1 A GLY 696 ? A GLY 4 \n5 1 Y 1 A GLU 697 ? A GLU 5 \n6 1 Y 1 A ALA 698 ? A ALA 6 \n7 1 Y 1 A PRO 699 ? A PRO 7 \n8 1 Y 1 A ASN 700 ? A ASN 8 \n9 1 Y 1 A ILE 1018 ? A ILE 326 \n10 1 Y 1 A PRO 1019 ? A PRO 327 \n11 1 Y 1 A GLN 1020 ? A GLN 328 \n12 1 Y 1 A GLN 1021 ? A GLN 329 \n13 1 Y 1 A GLY 1022 ? A GLY 330 \n# \nloop_\n_pdbx_entity_nonpoly.entity_id \n_pdbx_entity_nonpoly.name \n_pdbx_entity_nonpoly.comp_id \n2 \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\nW32 \n3 'SULFATE ION' SO4 \n4 water HOH \n# \nloop_\n_pdbx_nonpoly_scheme.asym_id \n_pdbx_nonpoly_scheme.entity_id \n_pdbx_nonpoly_scheme.mon_id \n_pdbx_nonpoly_scheme.ndb_seq_num \n_pdbx_nonpoly_scheme.pdb_seq_num \n_pdbx_nonpoly_scheme.auth_seq_num \n_pdbx_nonpoly_scheme.pdb_mon_id \n_pdbx_nonpoly_scheme.auth_mon_id \n_pdbx_nonpoly_scheme.pdb_strand_id \n_pdbx_nonpoly_scheme.pdb_ins_code \nB 2 W32 1 1101 1101 W32 LIG A . \nC 3 SO4 1 1102 1102 SO4 SO4 A . \nD 4 HOH 1 2001 2001 HOH HOH A . \nD 4 HOH 2 2002 2002 HOH HOH A . \nD 4 HOH 3 2003 2003 HOH HOH A . \nD 4 HOH 4 2004 2004 HOH HOH A . \nD 4 HOH 5 2005 2005 HOH HOH A . \nD 4 HOH 6 2006 2006 HOH HOH A . \nD 4 HOH 7 2007 2007 HOH HOH A . \nD 4 HOH 8 2008 2008 HOH HOH A . \nD 4 HOH 9 2009 2009 HOH HOH A . \nD 4 HOH 10 2010 2010 HOH HOH A . \nD 4 HOH 11 2011 2011 HOH HOH A . \nD 4 HOH 12 2012 2012 HOH HOH A . \nD 4 HOH 13 2013 2013 HOH HOH A . \nD 4 HOH 14 2014 2014 HOH HOH A . \nD 4 HOH 15 2015 2015 HOH HOH A . \nD 4 HOH 16 2016 2016 HOH HOH A . \nD 4 HOH 17 2017 2017 HOH HOH A . \nD 4 HOH 18 2018 2018 HOH HOH A . \nD 4 HOH 19 2019 2019 HOH HOH A . \nD 4 HOH 20 2020 2020 HOH HOH A . \nD 4 HOH 21 2021 2021 HOH HOH A . \nD 4 HOH 22 2022 2022 HOH HOH A . \nD 4 HOH 23 2023 2023 HOH HOH A . \nD 4 HOH 24 2024 2024 HOH HOH A . \nD 4 HOH 25 2025 2025 HOH HOH A . \nD 4 HOH 26 2026 2026 HOH HOH A . \nD 4 HOH 27 2027 2027 HOH HOH A . \nD 4 HOH 28 2028 2028 HOH HOH A . \nD 4 HOH 29 2029 2029 HOH HOH A . \nD 4 HOH 30 2030 2030 HOH HOH A . \nD 4 HOH 31 2031 2031 HOH HOH A . \nD 4 HOH 32 2032 2032 HOH HOH A . \nD 4 HOH 33 2033 2033 HOH HOH A . \nD 4 HOH 34 2034 2034 HOH HOH A . \nD 4 HOH 35 2035 2035 HOH HOH A . \nD 4 HOH 36 2036 2036 HOH HOH A . \nD 4 HOH 37 2037 2037 HOH HOH A . \nD 4 HOH 38 2038 2038 HOH HOH A . \nD 4 HOH 39 2039 2039 HOH HOH A . \nD 4 HOH 40 2040 2040 HOH HOH A . \nD 4 HOH 41 2041 2041 HOH HOH A . \nD 4 HOH 42 2042 2042 HOH HOH A . \nD 4 HOH 43 2043 2043 HOH HOH A . \nD 4 HOH 44 2044 2044 HOH HOH A . \nD 4 HOH 45 2045 2045 HOH HOH A . \nD 4 HOH 46 2046 2046 HOH HOH A . \nD 4 HOH 47 2047 2047 HOH HOH A . \nD 4 HOH 48 2048 2048 HOH HOH A . \nD 4 HOH 49 2049 2049 HOH HOH A . \nD 4 HOH 50 2050 2050 HOH HOH A . \nD 4 HOH 51 2051 2051 HOH HOH A . \nD 4 HOH 52 2052 2052 HOH HOH A . \nD 4 HOH 53 2053 2053 HOH HOH A . \nD 4 HOH 54 2054 2054 HOH HOH A . \nD 4 HOH 55 2055 2055 HOH HOH A . \nD 4 HOH 56 2056 2056 HOH HOH A . \nD 4 HOH 57 2057 2057 HOH HOH A . \nD 4 HOH 58 2058 2058 HOH HOH A . \nD 4 HOH 59 2059 2059 HOH HOH A . \nD 4 HOH 60 2060 2060 HOH HOH A . \nD 4 HOH 61 2061 2061 HOH HOH A . \nD 4 HOH 62 2062 2062 HOH HOH A . \nD 4 HOH 63 2063 2063 HOH HOH A . \nD 4 HOH 64 2064 2064 HOH HOH A . \nD 4 HOH 65 2065 2065 HOH HOH A . \nD 4 HOH 66 2066 2066 HOH HOH A . \nD 4 HOH 67 2067 2067 HOH HOH A . \nD 4 HOH 68 2068 2068 HOH HOH A . \nD 4 HOH 69 2069 2069 HOH HOH A . \nD 4 HOH 70 2070 2070 HOH HOH A . \nD 4 HOH 71 2071 2071 HOH HOH A . \nD 4 HOH 72 2072 2072 HOH HOH A . \nD 4 HOH 73 2073 2073 HOH HOH A . \nD 4 HOH 74 2074 2074 HOH HOH A . \nD 4 HOH 75 2075 2075 HOH HOH A . \nD 4 HOH 76 2076 2076 HOH HOH A . \nD 4 HOH 77 2077 2077 HOH HOH A . \nD 4 HOH 78 2078 2078 HOH HOH A . \nD 4 HOH 79 2079 2079 HOH HOH A . \nD 4 HOH 80 2080 2080 HOH HOH A . \nD 4 HOH 81 2081 2081 HOH HOH A . \nD 4 HOH 82 2082 2082 HOH HOH A . \n# \n",
"type": "blob"
}
],
"kwargs": {
"defaultRepresentation": true,
- "ext": "pdbqt"
+ "ext": "cif",
+ "height": "600px"
},
"methodName": "loadFile",
"reconstruc_color_scheme": false,
"target": "Stage",
"type": "call_method"
},
- {
- "args": [
- "label"
- ],
- "component_index": 1,
- "kwargs": {
- "backgroundColor": "black",
- "labelText": [
- "-7.5 kcal/mol"
- ],
- "labelType": "text",
- "sele": "@0",
- "showBackground": true
- },
- "methodName": "addRepresentation",
- "reconstruc_color_scheme": false,
- "target": "compList",
- "type": "call_method"
- },
- {
- "args": [
- "shape",
- [
- [
- "cylinder",
- [
- 14.698,
- 35.571,
- 8.257
- ],
- [
- 10.936,
- 34.964,
- 7.116
- ],
- [
- 0.26,
- 0.83,
- 0.96
- ],
- [
- 0.1
- ],
- "hbond"
- ]
- ]
- ],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- },
- {
- "args": [
- "shape",
- [
- [
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- "hbond"
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- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
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- {
- "args": [
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- 35.571,
- 8.257
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- [
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- 0.96
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- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
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- {
- "args": [
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- ],
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- "hydrophobic"
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- "kwargs": {},
- "methodName": "addShape",
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- "target": "Widget",
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- "hydrophobic"
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- "fire_embed": true,
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- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
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- {
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- [
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- 5.458
- ],
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- 0.29
- ],
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- "hydrophobic"
- ]
- ]
- ],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- },
- {
- "args": [
- "shape",
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- [
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- ],
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- ],
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- ],
- "hydrophobic"
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- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- },
- {
- "args": [
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- 0.1
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- "hydrophobic"
- ]
- ]
- ],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- },
- {
- "args": [
- "shape",
- [
- [
- "cylinder",
- [
- 17.911,
- 31.499,
- 10.405
- ],
- [
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- 28.578,
- 10.059
- ],
- [
- 0.9,
- 0.1,
- 0.29
- ],
- [
- 0.1
- ],
- "hydrophobic"
- ]
- ]
- ],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- },
- {
- "args": [
- "shape",
- [
- [
- "cylinder",
- [
- 17.672333333333334,
- 32.7245,
- 11.025333333333334
- ],
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- 9.205
- ],
- [
- 0.27,
- 0.6,
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- ],
- [
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- ],
- "pication"
- ]
- ]
- ],
- "fire_embed": true,
- "kwargs": {},
- "methodName": "addShape",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- },
- {
- "args": [
- "ball+stick"
- ],
- "component_index": 0,
- "kwargs": {
- "aspectRatio": 1.5,
- "colorScheme": "chainindex",
- "sele": "(790 and not _H) or (745 and not _H) or (788 and not _H) or (745 and not _H) or (856 and not _H) or (858 and not _H) or (726 and not _H) or (854 and not _H) or (855 and not _H) or (745 and not _H)"
- },
- "methodName": "addRepresentation",
- "reconstruc_color_scheme": false,
- "target": "compList",
- "type": "call_method"
- },
{
"args": [
"ball+stick"
],
"component_index": 0,
"kwargs": {
- "aspectRatio": 1.5,
- "colorScheme": "element",
- "sele": "(790 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (788 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (856 and ((_O) or (_N) or (_S))) or (858 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (854 and ((_O) or (_N) or (_S))) or (855 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S)))"
+ "sele": "hetero and not water"
},
"methodName": "addRepresentation",
"reconstruc_color_scheme": false,
@@ -37279,90 +39827,19 @@
"clipNear": 0,
"clipRadius": 0,
"colorMode": "hcl",
- "colorReverse": false,
- "colorScale": "RdYlBu",
- "colorScheme": "chainname",
- "colorValue": 9474192,
- "defaultAssembly": "",
- "depthWrite": true,
- "diffuse": 16777215,
- "diffuseInterior": false,
- "disablePicking": false,
- "flatShaded": false,
- "interiorColor": 2236962,
- "interiorDarkening": 0,
- "lazy": false,
- "matrix": {
- "elements": [
- 1,
- 0,
- 0,
- 0,
- 0,
- 1,
- 0,
- 0,
- 0,
- 0,
- 1,
- 0,
- 0,
- 0,
- 0,
- 1
- ]
- },
- "metalness": 0,
- "opacity": 1,
- "quality": "medium",
- "radialSegments": 10,
- "radiusData": {},
- "radiusScale": 0.7,
- "radiusSize": 1,
- "radiusType": "sstruc",
- "roughness": 0.4,
- "sele": "all",
- "side": "double",
- "smoothSheet": false,
- "subdiv": 6,
- "tension": null,
- "useInteriorColor": true,
- "visible": true,
- "wireframe": false
- },
- "type": "cartoon"
- },
- "1": {
- "params": {
- "aspectRatio": 1.5,
- "assembly": "default",
- "bondScale": 0.4,
- "bondSpacing": 1,
- "clipCenter": {
- "x": 0,
- "y": 0,
- "z": 0
- },
- "clipNear": 0,
- "clipRadius": 0,
- "colorMode": "hcl",
- "colorReverse": false,
- "colorScale": "",
- "colorScheme": "chainindex",
- "colorValue": 9474192,
- "cylinderOnly": false,
- "defaultAssembly": "",
+ "colorReverse": true,
+ "colorScale": "spectral",
+ "colorScheme": "residueindex",
+ "colorValue": 9474192,
+ "defaultAssembly": "BU1",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
- "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
- "lineOnly": false,
- "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -37384,31 +39861,30 @@
]
},
"metalness": 0,
- "multipleBond": "off",
"opacity": 1,
- "openEnded": true,
- "quality": "medium",
- "radialSegments": 10,
+ "quality": "high",
+ "radialSegments": 20,
"radiusData": {},
- "radiusScale": 1,
- "radiusSize": 0.15,
- "radiusType": "size",
+ "radiusScale": 0.7,
+ "radiusSize": 1,
+ "radiusType": "sstruc",
"roughness": 0.4,
- "sele": "(790 and not _H) or (745 and not _H) or (788 and not _H) or (745 and not _H) or (856 and not _H) or (858 and not _H) or (726 and not _H) or (854 and not _H) or (855 and not _H) or (745 and not _H)",
+ "sele": "",
"side": "double",
- "sphereDetail": 1,
+ "smoothSheet": false,
+ "subdiv": 6,
+ "tension": null,
"useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "ball+stick"
+ "type": "cartoon"
},
- "2": {
+ "1": {
"params": {
- "aspectRatio": 1.5,
+ "aspectRatio": 1,
"assembly": "default",
"bondScale": 0.4,
- "bondSpacing": 1,
"clipCenter": {
"x": 0,
"y": 0,
@@ -37417,12 +39893,12 @@
"clipNear": 0,
"clipRadius": 0,
"colorMode": "hcl",
- "colorReverse": false,
- "colorScale": "",
- "colorScheme": "element",
+ "colorReverse": true,
+ "colorScale": "spectral",
+ "colorScheme": "residueindex",
"colorValue": 9474192,
"cylinderOnly": false,
- "defaultAssembly": "",
+ "defaultAssembly": "BU1",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
@@ -37455,28 +39931,25 @@
]
},
"metalness": 0,
- "multipleBond": "off",
"opacity": 1,
"openEnded": true,
- "quality": "medium",
- "radialSegments": 10,
+ "quality": "high",
+ "radialSegments": 20,
"radiusData": {},
"radiusScale": 1,
- "radiusSize": 0.15,
+ "radiusSize": 0.3,
"radiusType": "size",
"roughness": 0.4,
- "sele": "(790 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (788 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S))) or (856 and ((_O) or (_N) or (_S))) or (858 and ((_O) or (_N) or (_S))) or (726 and ((_O) or (_N) or (_S))) or (854 and ((_O) or (_N) or (_S))) or (855 and ((_O) or (_N) or (_S))) or (745 and ((_O) or (_N) or (_S)))",
+ "sele": "",
"side": "double",
- "sphereDetail": 1,
+ "sphereDetail": 2,
"useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "ball+stick"
- }
- },
- "1": {
- "0": {
+ "type": "base"
+ },
+ "2": {
"params": {
"aspectRatio": 1.5,
"assembly": "default",
@@ -37495,7 +39968,7 @@
"colorScheme": "element",
"colorValue": 9474192,
"cylinderOnly": false,
- "defaultAssembly": "",
+ "defaultAssembly": "BU1",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
@@ -37538,7 +40011,7 @@
"radiusSize": 0.15,
"radiusType": "size",
"roughness": 0.4,
- "sele": "",
+ "sele": "ligand",
"side": "double",
"sphereDetail": 2,
"useInteriorColor": true,
@@ -37547,15 +40020,12 @@
},
"type": "ball+stick"
},
- "1": {
+ "3": {
"params": {
+ "aspectRatio": 2,
"assembly": "default",
- "attachment": "bottom-left",
- "backgroundColor": "black",
- "backgroundMargin": 0.5,
- "backgroundOpacity": 1,
- "borderColor": "lightgrey",
- "borderWidth": 0.15,
+ "bondScale": 0.4,
+ "bondSpacing": 1,
"clipCenter": {
"x": 0,
"y": 0,
@@ -37568,335 +40038,19 @@
"colorScale": "",
"colorScheme": "element",
"colorValue": 9474192,
- "defaultAssembly": "",
- "depthWrite": true,
- "diffuseInterior": false,
- "disablePicking": false,
- "fixedSize": false,
- "fontFamily": "sans-serif",
- "fontStyle": "normal",
- "fontWeight": "bold",
- "interiorColor": 2236962,
- "interiorDarkening": 0,
- "labelFormat": "",
- "labelGrouping": "atom",
- "labelText": [
- "-7.5 kcal/mol"
- ],
- "labelType": "text",
- "lazy": false,
- "matrix": {
- "elements": [
- 1,
- 0,
- 0,
- 0,
- 0,
- 1,
- 0,
- 0,
- 0,
- 0,
- 1,
- 0,
- 0,
- 0,
- 0,
- 1
- ]
- },
- "opacity": 1,
- "quality": "medium",
- "radiusData": {},
- "radiusScale": 1,
- "radiusSize": 1,
- "radiusType": "vdw",
- "sele": "@0",
- "showBackground": true,
- "showBorder": false,
- "useInteriorColor": false,
- "visible": true,
- "xOffset": 0,
- "yOffset": 0,
- "zOffset": 0.5
- },
- "type": "label"
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+ "data": "data_3W32\n# \n_entry.id 3W32 \n# \n_audit_conform.dict_name mmcif_pdbx.dic \n_audit_conform.dict_version 5.281 \n_audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic \n# \nloop_\n_database_2.database_id \n_database_2.database_code \nPDB 3W32 \nRCSB RCSB095823 \nWWPDB D_1000095823 \n# \nloop_\n_pdbx_database_related.db_name \n_pdbx_database_related.db_id \n_pdbx_database_related.details \n_pdbx_database_related.content_type \nPDB 3POZ . unspecified \nPDB 3W33 . unspecified \n# \n_pdbx_database_status.status_code REL \n_pdbx_database_status.entry_id 3W32 \n_pdbx_database_status.recvd_initial_deposition_date 2012-12-07 \n_pdbx_database_status.deposit_site PDBJ \n_pdbx_database_status.process_site PDBJ \n_pdbx_database_status.methods_development_category ? \n_pdbx_database_status.status_code_sf REL \n_pdbx_database_status.status_code_mr ? \n_pdbx_database_status.SG_entry ? \n_pdbx_database_status.status_code_cs ? \n_pdbx_database_status.pdb_format_compatible Y \n# \nloop_\n_audit_author.name \n_audit_author.pdbx_ordinal \n'Sogabe, S.' 1 \n'Kawakita, Y.' 2 \n# \n_citation.id primary \n_citation.title 'Design and synthesis of novel pyrimido[4,5-b]azepine derivatives as HER2/EGFR dual inhibitors' \n_citation.journal_abbrev Bioorg.Med.Chem. \n_citation.journal_volume 21 \n_citation.page_first 2250 \n_citation.page_last 2261 \n_citation.year 2013 \n_citation.journal_id_ASTM BMECEP \n_citation.country UK \n_citation.journal_id_ISSN 0968-0896 \n_citation.journal_id_CSD 1200 \n_citation.book_publisher ? \n_citation.pdbx_database_id_PubMed 23490150 \n_citation.pdbx_database_id_DOI 10.1016/j.bmc.2013.02.014 \n# \nloop_\n_citation_author.citation_id \n_citation_author.name \n_citation_author.ordinal \nprimary 'Kawakita, Y.' 1 \nprimary 'Seto, M.' 2 \nprimary 'Ohashi, T.' 3 \nprimary 'Tamura, T.' 4 \nprimary 'Yusa, T.' 5 \nprimary 'Miki, H.' 6 \nprimary 'Iwata, H.' 7 \nprimary 'Kamiguchi, H.' 8 \nprimary 'Tanaka, T.' 9 \nprimary 'Sogabe, S.' 10 \nprimary 'Ohta, Y.' 11 \nprimary 'Ishikawa, T.' 12 \n# \n_cell.entry_id 3W32 \n_cell.length_a 46.443 \n_cell.length_b 68.306 \n_cell.length_c 103.273 \n_cell.angle_alpha 90.00 \n_cell.angle_beta 90.00 \n_cell.angle_gamma 90.00 \n_cell.Z_PDB 4 \n_cell.pdbx_unique_axis ? \n_cell.length_a_esd ? \n_cell.length_b_esd ? \n_cell.length_c_esd ? \n_cell.angle_alpha_esd ? \n_cell.angle_beta_esd ? \n_cell.angle_gamma_esd ? \n# \n_symmetry.entry_id 3W32 \n_symmetry.space_group_name_H-M 'P 21 21 21' \n_symmetry.pdbx_full_space_group_name_H-M ? \n_symmetry.cell_setting ? \n_symmetry.Int_Tables_number 19 \n_symmetry.space_group_name_Hall ? \n# \nloop_\n_entity.id \n_entity.type \n_entity.src_method \n_entity.pdbx_description \n_entity.formula_weight \n_entity.pdbx_number_of_molecules \n_entity.pdbx_ec \n_entity.pdbx_mutation \n_entity.pdbx_fragment \n_entity.details \n1 polymer man 'Epidermal growth factor receptor' 37563.457 1 2.7.10.1 ? 'Kinase domain, UNP residues 696-1022' ? \n2 non-polymer syn \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n581.994 1 ? ? ? ? \n3 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? \n4 water nat water 18.015 82 ? ? ? ? \n# \n_entity_name_com.entity_id 1 \n_entity_name_com.name 'Proto-oncogene c-ErbB-1, Receptor tyrosine-protein kinase erbB-1' \n# \n_entity_poly.entity_id 1 \n_entity_poly.type 'polypeptide(L)' \n_entity_poly.nstd_linkage no \n_entity_poly.nstd_monomer no \n_entity_poly.pdbx_seq_one_letter_code \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_seq_one_letter_code_can \n;GAMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNP\nHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVK\nITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGER\nLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVD\nADEYLIPQQG\n;\n_entity_poly.pdbx_strand_id A \n_entity_poly.pdbx_target_identifier ? \n# \nloop_\n_entity_poly_seq.entity_id \n_entity_poly_seq.num \n_entity_poly_seq.mon_id \n_entity_poly_seq.hetero \n1 1 GLY n \n1 2 ALA n \n1 3 MET n \n1 4 GLY n \n1 5 GLU n \n1 6 ALA n \n1 7 PRO n \n1 8 ASN n \n1 9 GLN n \n1 10 ALA n \n1 11 LEU n \n1 12 LEU n \n1 13 ARG n \n1 14 ILE n \n1 15 LEU n \n1 16 LYS n \n1 17 GLU n \n1 18 THR n \n1 19 GLU n \n1 20 PHE n \n1 21 LYS n \n1 22 LYS n \n1 23 ILE n \n1 24 LYS n \n1 25 VAL n \n1 26 LEU n \n1 27 GLY n \n1 28 SER n \n1 29 GLY n \n1 30 ALA n \n1 31 PHE n \n1 32 GLY n \n1 33 THR n \n1 34 VAL n \n1 35 TYR n \n1 36 LYS n \n1 37 GLY n \n1 38 LEU n \n1 39 TRP n \n1 40 ILE n \n1 41 PRO n \n1 42 GLU n \n1 43 GLY n \n1 44 GLU n \n1 45 LYS n \n1 46 VAL n \n1 47 LYS n \n1 48 ILE n \n1 49 PRO n \n1 50 VAL n \n1 51 ALA n \n1 52 ILE n \n1 53 LYS n \n1 54 GLU n \n1 55 LEU n \n1 56 ARG n \n1 57 GLU n \n1 58 ALA n \n1 59 THR n \n1 60 SER n \n1 61 PRO n \n1 62 LYS n \n1 63 ALA n \n1 64 ASN n \n1 65 LYS n \n1 66 GLU n \n1 67 ILE n \n1 68 LEU n \n1 69 ASP n \n1 70 GLU n \n1 71 ALA n \n1 72 TYR n \n1 73 VAL n \n1 74 MET n \n1 75 ALA n \n1 76 SER n \n1 77 VAL n \n1 78 ASP n \n1 79 ASN n \n1 80 PRO n \n1 81 HIS n \n1 82 VAL n \n1 83 CYS n \n1 84 ARG n \n1 85 LEU n \n1 86 LEU n \n1 87 GLY n \n1 88 ILE n \n1 89 CYS n \n1 90 LEU n \n1 91 THR n \n1 92 SER n \n1 93 THR n \n1 94 VAL n \n1 95 GLN n \n1 96 LEU n \n1 97 ILE n \n1 98 THR n \n1 99 GLN n \n1 100 LEU n \n1 101 MET n \n1 102 PRO n \n1 103 PHE n \n1 104 GLY n \n1 105 CYS n \n1 106 LEU n \n1 107 LEU n \n1 108 ASP n \n1 109 TYR n \n1 110 VAL n \n1 111 ARG n \n1 112 GLU n \n1 113 HIS n \n1 114 LYS n \n1 115 ASP n \n1 116 ASN n \n1 117 ILE n \n1 118 GLY n \n1 119 SER n \n1 120 GLN n \n1 121 TYR n \n1 122 LEU n \n1 123 LEU n \n1 124 ASN n \n1 125 TRP n \n1 126 CYS n \n1 127 VAL n \n1 128 GLN n \n1 129 ILE n \n1 130 ALA n \n1 131 LYS n \n1 132 GLY n \n1 133 MET n \n1 134 ASN n \n1 135 TYR n \n1 136 LEU n \n1 137 GLU n \n1 138 ASP n \n1 139 ARG n \n1 140 ARG n \n1 141 LEU n \n1 142 VAL n \n1 143 HIS n \n1 144 ARG n \n1 145 ASP n \n1 146 LEU n \n1 147 ALA n \n1 148 ALA n \n1 149 ARG n \n1 150 ASN n \n1 151 VAL n \n1 152 LEU n \n1 153 VAL n \n1 154 LYS n \n1 155 THR n \n1 156 PRO n \n1 157 GLN n \n1 158 HIS n \n1 159 VAL n \n1 160 LYS n \n1 161 ILE n \n1 162 THR n \n1 163 ASP n \n1 164 PHE n \n1 165 GLY n \n1 166 LEU n \n1 167 ALA n \n1 168 LYS n \n1 169 LEU n \n1 170 LEU n \n1 171 GLY n \n1 172 ALA n \n1 173 GLU n \n1 174 GLU n \n1 175 LYS n \n1 176 GLU n \n1 177 TYR n \n1 178 HIS n \n1 179 ALA n \n1 180 GLU n \n1 181 GLY n \n1 182 GLY n \n1 183 LYS n \n1 184 VAL n \n1 185 PRO n \n1 186 ILE n \n1 187 LYS n \n1 188 TRP n \n1 189 MET n \n1 190 ALA n \n1 191 LEU n \n1 192 GLU n \n1 193 SER n \n1 194 ILE n \n1 195 LEU n \n1 196 HIS n \n1 197 ARG n \n1 198 ILE n \n1 199 TYR n \n1 200 THR n \n1 201 HIS n \n1 202 GLN n \n1 203 SER n \n1 204 ASP n \n1 205 VAL n \n1 206 TRP n \n1 207 SER n \n1 208 TYR n \n1 209 GLY n \n1 210 VAL n \n1 211 THR n \n1 212 VAL n \n1 213 TRP n \n1 214 GLU n \n1 215 LEU n \n1 216 MET n \n1 217 THR n \n1 218 PHE n \n1 219 GLY n \n1 220 SER n \n1 221 LYS n \n1 222 PRO n \n1 223 TYR n \n1 224 ASP n \n1 225 GLY n \n1 226 ILE n \n1 227 PRO n \n1 228 ALA n \n1 229 SER n \n1 230 GLU n \n1 231 ILE n \n1 232 SER n \n1 233 SER n \n1 234 ILE n \n1 235 LEU n \n1 236 GLU n \n1 237 LYS n \n1 238 GLY n \n1 239 GLU n \n1 240 ARG n \n1 241 LEU n \n1 242 PRO n \n1 243 GLN n \n1 244 PRO n \n1 245 PRO n \n1 246 ILE n \n1 247 CYS n \n1 248 THR n \n1 249 ILE n \n1 250 ASP n \n1 251 VAL n \n1 252 TYR n \n1 253 MET n \n1 254 ILE n \n1 255 MET n \n1 256 VAL n \n1 257 LYS n \n1 258 CYS n \n1 259 TRP n \n1 260 MET n \n1 261 ILE n \n1 262 ASP n \n1 263 ALA n \n1 264 ASP n \n1 265 SER n \n1 266 ARG n \n1 267 PRO n \n1 268 LYS n \n1 269 PHE n \n1 270 ARG n \n1 271 GLU n \n1 272 LEU n \n1 273 ILE n \n1 274 ILE n \n1 275 GLU n \n1 276 PHE n \n1 277 SER n \n1 278 LYS n \n1 279 MET n \n1 280 ALA n \n1 281 ARG n \n1 282 ASP n \n1 283 PRO n \n1 284 GLN n \n1 285 ARG n \n1 286 TYR n \n1 287 LEU n \n1 288 VAL n \n1 289 ILE n \n1 290 GLN n \n1 291 GLY n \n1 292 ASP n \n1 293 GLU n \n1 294 ARG n \n1 295 MET n \n1 296 HIS n \n1 297 LEU n \n1 298 PRO n \n1 299 SER n \n1 300 PRO n \n1 301 THR n \n1 302 ASP n \n1 303 SER n \n1 304 ASN n \n1 305 PHE n \n1 306 TYR n \n1 307 ARG n \n1 308 ALA n \n1 309 LEU n \n1 310 MET n \n1 311 ASP n \n1 312 GLU n \n1 313 GLU n \n1 314 ASP n \n1 315 MET n \n1 316 ASP n \n1 317 ASP n \n1 318 VAL n \n1 319 VAL n \n1 320 ASP n \n1 321 ALA n \n1 322 ASP n \n1 323 GLU n \n1 324 TYR n \n1 325 LEU n \n1 326 ILE n \n1 327 PRO n \n1 328 GLN n \n1 329 GLN n \n1 330 GLY n \n# \n_entity_src_gen.entity_id 1 \n_entity_src_gen.pdbx_src_id 1 \n_entity_src_gen.pdbx_alt_source_flag sample \n_entity_src_gen.pdbx_seq_type ? \n_entity_src_gen.pdbx_beg_seq_num ? \n_entity_src_gen.pdbx_end_seq_num ? \n_entity_src_gen.gene_src_common_name human \n_entity_src_gen.gene_src_genus ? \n_entity_src_gen.pdbx_gene_src_gene 'EGFR, ERBB, ERBB1, HER1' \n_entity_src_gen.gene_src_species ? \n_entity_src_gen.gene_src_strain ? \n_entity_src_gen.gene_src_tissue ? \n_entity_src_gen.gene_src_tissue_fraction ? \n_entity_src_gen.gene_src_details ? \n_entity_src_gen.pdbx_gene_src_fragment ? \n_entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' \n_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 \n_entity_src_gen.pdbx_gene_src_variant ? \n_entity_src_gen.pdbx_gene_src_cell_line ? \n_entity_src_gen.pdbx_gene_src_atcc ? \n_entity_src_gen.pdbx_gene_src_organ ? \n_entity_src_gen.pdbx_gene_src_organelle ? \n_entity_src_gen.pdbx_gene_src_cell ? \n_entity_src_gen.pdbx_gene_src_cellular_location ? \n_entity_src_gen.host_org_common_name ? \n_entity_src_gen.pdbx_host_org_scientific_name 'Spodoptera frugiperda' \n_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 7108 \n_entity_src_gen.host_org_genus ? \n_entity_src_gen.pdbx_host_org_gene ? \n_entity_src_gen.pdbx_host_org_organ ? \n_entity_src_gen.host_org_species ? \n_entity_src_gen.pdbx_host_org_tissue ? \n_entity_src_gen.pdbx_host_org_tissue_fraction ? \n_entity_src_gen.pdbx_host_org_strain ? \n_entity_src_gen.pdbx_host_org_variant ? \n_entity_src_gen.pdbx_host_org_cell_line Sf9 \n_entity_src_gen.pdbx_host_org_atcc ? \n_entity_src_gen.pdbx_host_org_culture_collection ? \n_entity_src_gen.pdbx_host_org_cell ? \n_entity_src_gen.pdbx_host_org_organelle ? \n_entity_src_gen.pdbx_host_org_cellular_location ? \n_entity_src_gen.pdbx_host_org_vector_type baculovirus \n_entity_src_gen.pdbx_host_org_vector ? \n_entity_src_gen.host_org_details ? \n_entity_src_gen.expression_system_id ? \n_entity_src_gen.plasmid_name pFastBac1 \n_entity_src_gen.plasmid_details ? \n_entity_src_gen.pdbx_description ? \n# \n_struct_ref.id 1 \n_struct_ref.db_name UNP \n_struct_ref.db_code EGFR_HUMAN \n_struct_ref.pdbx_db_accession P00533 \n_struct_ref.entity_id 1 \n_struct_ref.pdbx_seq_one_letter_code \n;GEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVC\nRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITD\nFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQ\nPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADE\nYLIPQQG\n;\n_struct_ref.pdbx_align_begin 696 \n_struct_ref.pdbx_db_isoform ? \n# \n_struct_ref_seq.align_id 1 \n_struct_ref_seq.ref_id 1 \n_struct_ref_seq.pdbx_PDB_id_code 3W32 \n_struct_ref_seq.pdbx_strand_id A \n_struct_ref_seq.seq_align_beg 4 \n_struct_ref_seq.pdbx_seq_align_beg_ins_code ? \n_struct_ref_seq.seq_align_end 330 \n_struct_ref_seq.pdbx_seq_align_end_ins_code ? \n_struct_ref_seq.pdbx_db_accession P00533 \n_struct_ref_seq.db_align_beg 696 \n_struct_ref_seq.pdbx_db_align_beg_ins_code ? \n_struct_ref_seq.db_align_end 1022 \n_struct_ref_seq.pdbx_db_align_end_ins_code ? \n_struct_ref_seq.pdbx_auth_seq_align_beg 696 \n_struct_ref_seq.pdbx_auth_seq_align_end 1022 \n# \nloop_\n_struct_ref_seq_dif.align_id \n_struct_ref_seq_dif.pdbx_pdb_id_code \n_struct_ref_seq_dif.mon_id \n_struct_ref_seq_dif.pdbx_pdb_strand_id \n_struct_ref_seq_dif.seq_num \n_struct_ref_seq_dif.pdbx_pdb_ins_code \n_struct_ref_seq_dif.pdbx_seq_db_name \n_struct_ref_seq_dif.pdbx_seq_db_accession_code \n_struct_ref_seq_dif.db_mon_id \n_struct_ref_seq_dif.pdbx_seq_db_seq_num \n_struct_ref_seq_dif.details \n_struct_ref_seq_dif.pdbx_auth_seq_num \n_struct_ref_seq_dif.pdbx_ordinal \n1 3W32 GLY A 1 ? UNP P00533 ? ? 'EXPRESSION TAG' 693 1 \n1 3W32 ALA A 2 ? UNP P00533 ? ? 'EXPRESSION TAG' 694 2 \n1 3W32 MET A 3 ? UNP P00533 ? ? 'EXPRESSION TAG' 695 3 \n# \nloop_\n_chem_comp.id \n_chem_comp.type \n_chem_comp.mon_nstd_flag \n_chem_comp.name \n_chem_comp.pdbx_synonyms \n_chem_comp.formula \n_chem_comp.formula_weight \nALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 \nARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 \nASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 \nASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 \nCYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 \nGLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 \nGLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 \nGLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 \nHIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 \nHOH non-polymer . WATER ? 'H2 O' 18.015 \nILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 \nLEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 \nLYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 \nMET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 \nPHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 \nPRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 \nSER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 \nSO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 \nTHR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 \nTRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 \nTYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 \nVAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 \nW32 non-polymer . \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\n? 'C25 H23 Cl F3 N5 O4 S' 581.994 \n# \n_exptl.entry_id 3W32 \n_exptl.method 'X-RAY DIFFRACTION' \n_exptl.crystals_number 1 \n# \n_exptl_crystal.id 1 \n_exptl_crystal.density_meas ? \n_exptl_crystal.density_Matthews 2.18 \n_exptl_crystal.density_percent_sol 43.59 \n_exptl_crystal.description ? \n_exptl_crystal.F_000 ? \n_exptl_crystal.preparation ? \n# \n_exptl_crystal_grow.crystal_id 1 \n_exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' \n_exptl_crystal_grow.temp 298 \n_exptl_crystal_grow.temp_details ? \n_exptl_crystal_grow.pH 5.5 \n_exptl_crystal_grow.pdbx_pH_range ? \n_exptl_crystal_grow.pdbx_details \n'0.1M MES, 0.2M lithium sulfate, 25% PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K' \n# \n_diffrn.id 1 \n_diffrn.ambient_temp 100 \n_diffrn.ambient_temp_details ? \n_diffrn.crystal_id 1 \n# \n_diffrn_detector.diffrn_id 1 \n_diffrn_detector.detector CCD \n_diffrn_detector.type 'ADSC QUANTUM 315r' \n_diffrn_detector.pdbx_collection_date 2011-12-21 \n_diffrn_detector.details ? \n# \n_diffrn_radiation.diffrn_id 1 \n_diffrn_radiation.wavelength_id 1 \n_diffrn_radiation.pdbx_monochromatic_or_laue_m_l M \n_diffrn_radiation.monochromator ? \n_diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' \n_diffrn_radiation.pdbx_scattering_type x-ray \n# \n_diffrn_radiation_wavelength.id 1 \n_diffrn_radiation_wavelength.wavelength 0.97649 \n_diffrn_radiation_wavelength.wt 1.0 \n# \n_diffrn_source.diffrn_id 1 \n_diffrn_source.source SYNCHROTRON \n_diffrn_source.type 'ALS BEAMLINE 5.0.3' \n_diffrn_source.pdbx_synchrotron_site ALS \n_diffrn_source.pdbx_synchrotron_beamline 5.0.3 \n_diffrn_source.pdbx_wavelength ? \n_diffrn_source.pdbx_wavelength_list 0.97649 \n# \n_reflns.pdbx_diffrn_id 1 \n_reflns.pdbx_ordinal 1 \n_reflns.entry_id 3W32 \n_reflns.observed_criterion_sigma_I ? \n_reflns.observed_criterion_sigma_F ? \n_reflns.d_resolution_low 50 \n_reflns.d_resolution_high 1.8 \n_reflns.number_obs 30817 \n_reflns.number_all ? \n_reflns.percent_possible_obs 99.7 \n_reflns.pdbx_Rmerge_I_obs ? \n_reflns.pdbx_Rsym_value 0.054 \n_reflns.pdbx_netI_over_sigmaI 26.1 \n_reflns.B_iso_Wilson_estimate ? \n_reflns.pdbx_redundancy 4.8 \n_reflns.R_free_details ? \n_reflns.limit_h_max ? \n_reflns.limit_h_min ? \n_reflns.limit_k_max ? \n_reflns.limit_k_min ? \n_reflns.limit_l_max ? \n_reflns.limit_l_min ? \n_reflns.observed_criterion_F_max ? \n_reflns.observed_criterion_F_min ? \n_reflns.pdbx_chi_squared ? \n_reflns.pdbx_scaling_rejects ? \n# \n_reflns_shell.pdbx_diffrn_id 1 \n_reflns_shell.pdbx_ordinal 1 \n_reflns_shell.d_res_high 1.8 \n_reflns_shell.d_res_low 1.83 \n_reflns_shell.percent_possible_all 99.9 \n_reflns_shell.Rmerge_I_obs ? \n_reflns_shell.pdbx_Rsym_value 0.898 \n_reflns_shell.meanI_over_sigI_obs 2.0 \n_reflns_shell.pdbx_redundancy 4.9 \n_reflns_shell.percent_possible_obs ? \n_reflns_shell.number_unique_all ? \n_reflns_shell.number_measured_all ? \n_reflns_shell.number_measured_obs ? \n_reflns_shell.number_unique_obs ? \n_reflns_shell.pdbx_chi_squared ? \n# \n_refine.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine.entry_id 3W32 \n_refine.pdbx_diffrn_id 1 \n_refine.pdbx_TLS_residual_ADP_flag ? \n_refine.ls_number_reflns_obs 29096 \n_refine.ls_number_reflns_all ? \n_refine.pdbx_ls_sigma_I ? \n_refine.pdbx_ls_sigma_F . \n_refine.pdbx_data_cutoff_high_absF ? \n_refine.pdbx_data_cutoff_low_absF ? \n_refine.pdbx_data_cutoff_high_rms_absF ? \n_refine.ls_d_res_low 40.00 \n_refine.ls_d_res_high 1.80 \n_refine.ls_percent_reflns_obs 98.97 \n_refine.ls_R_factor_obs 0.20219 \n_refine.ls_R_factor_all ? \n_refine.ls_R_factor_R_work 0.20045 \n_refine.ls_R_factor_R_free 0.23552 \n_refine.ls_R_factor_R_free_error ? \n_refine.ls_R_factor_R_free_error_details ? \n_refine.ls_percent_reflns_R_free 5.0 \n_refine.ls_number_reflns_R_free 1539 \n_refine.ls_number_parameters ? \n_refine.ls_number_restraints ? \n_refine.occupancy_min ? \n_refine.occupancy_max ? \n_refine.correlation_coeff_Fo_to_Fc 0.962 \n_refine.correlation_coeff_Fo_to_Fc_free 0.943 \n_refine.B_iso_mean 46.448 \n_refine.aniso_B[1][1] 3.86 \n_refine.aniso_B[2][2] 0.11 \n_refine.aniso_B[3][3] -3.97 \n_refine.aniso_B[1][2] -0.00 \n_refine.aniso_B[1][3] -0.00 \n_refine.aniso_B[2][3] -0.00 \n_refine.solvent_model_details MASK \n_refine.solvent_model_param_ksol ? \n_refine.solvent_model_param_bsol ? \n_refine.pdbx_solvent_vdw_probe_radii 1.40 \n_refine.pdbx_solvent_ion_probe_radii 0.80 \n_refine.pdbx_solvent_shrinkage_radii 0.80 \n_refine.pdbx_ls_cross_valid_method THROUGHOUT \n_refine.details ? \n_refine.pdbx_starting_model 1XKK \n_refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' \n_refine.pdbx_isotropic_thermal_model ? \n_refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' \n_refine.pdbx_stereochem_target_val_spec_case ? \n_refine.pdbx_R_Free_selection_details RANDOM \n_refine.pdbx_overall_ESU_R 0.141 \n_refine.pdbx_overall_ESU_R_Free 0.131 \n_refine.overall_SU_ML 0.103 \n_refine.pdbx_overall_phase_error ? \n_refine.overall_SU_B 6.930 \n_refine.overall_SU_R_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? \n_refine.pdbx_overall_SU_R_Blow_DPI ? \n_refine.pdbx_overall_SU_R_free_Blow_DPI ? \n_refine.ls_redundancy_reflns_obs ? \n_refine.B_iso_min ? \n_refine.B_iso_max ? \n_refine.overall_SU_R_free ? \n_refine.ls_wR_factor_R_free ? \n_refine.ls_wR_factor_R_work ? \n_refine.overall_FOM_free_R_set ? \n_refine.overall_FOM_work_R_set ? \n# \n_refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_hist.cycle_id LAST \n_refine_hist.pdbx_number_atoms_protein 2545 \n_refine_hist.pdbx_number_atoms_nucleic_acid 0 \n_refine_hist.pdbx_number_atoms_ligand 44 \n_refine_hist.number_atoms_solvent 82 \n_refine_hist.number_atoms_total 2671 \n_refine_hist.d_res_high 1.80 \n_refine_hist.d_res_low 40.00 \n# \nloop_\n_refine_ls_restr.type \n_refine_ls_restr.dev_ideal \n_refine_ls_restr.dev_ideal_target \n_refine_ls_restr.weight \n_refine_ls_restr.number \n_refine_ls_restr.pdbx_refine_id \n_refine_ls_restr.pdbx_restraint_function \nr_bond_refined_d 0.009 0.019 ? 2647 'X-RAY DIFFRACTION' ? \nr_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_angle_refined_deg 1.362 1.995 ? 3587 'X-RAY DIFFRACTION' ? \nr_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_1_deg 5.462 5.000 ? 316 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_2_deg 34.868 24.123 ? 114 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_3_deg 14.009 15.000 ? 481 'X-RAY DIFFRACTION' ? \nr_dihedral_angle_4_deg 16.236 15.000 ? 16 'X-RAY DIFFRACTION' ? \nr_chiral_restr 0.092 0.200 ? 393 'X-RAY DIFFRACTION' ? \nr_gen_planes_refined 0.006 0.021 ? 2017 'X-RAY DIFFRACTION' ? \nr_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_mcangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scbond_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_scangle_it ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? \nr_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? \n# \n_refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' \n_refine_ls_shell.pdbx_total_number_of_bins_used 20 \n_refine_ls_shell.d_res_high 1.805 \n_refine_ls_shell.d_res_low 1.852 \n_refine_ls_shell.number_reflns_R_work 2043 \n_refine_ls_shell.R_factor_R_work 0.307 \n_refine_ls_shell.percent_reflns_obs 95.73 \n_refine_ls_shell.R_factor_R_free 0.344 \n_refine_ls_shell.R_factor_R_free_error ? \n_refine_ls_shell.percent_reflns_R_free ? \n_refine_ls_shell.number_reflns_R_free 110 \n_refine_ls_shell.number_reflns_all ? \n_refine_ls_shell.R_factor_all ? \n_refine_ls_shell.redundancy_reflns_obs ? \n_refine_ls_shell.number_reflns_obs ? \n# \n_struct.entry_id 3W32 \n_struct.title 'EGFR kinase domain complexed with compound 20a' \n_struct.pdbx_descriptor 'Epidermal growth factor receptor (E.C.2.7.10.1)' \n_struct.pdbx_model_details ? \n_struct.pdbx_CASP_flag ? \n_struct.pdbx_model_type_details ? \n# \n_struct_keywords.entry_id 3W32 \n_struct_keywords.pdbx_keywords 'TRANSFERASE/TRANSFERASE INHIBITOR' \n_struct_keywords.text \n'ANTI-ONCOGENE, CELL CYCLE, DISEASE MUTATION, KINASE DOMAIN, RECEPTOR, TRANSFERASE-TRANSFERASE INHIBITOR complex' \n# \nloop_\n_struct_asym.id \n_struct_asym.pdbx_blank_PDB_chainid_flag \n_struct_asym.pdbx_modified \n_struct_asym.entity_id \n_struct_asym.details \nA N N 1 ? \nB N N 2 ? \nC N N 3 ? \nD N N 4 ? \n# \n_struct_biol.id 1 \n_struct_biol.details ? \n# \nloop_\n_struct_conf.conf_type_id \n_struct_conf.id \n_struct_conf.pdbx_PDB_helix_id \n_struct_conf.beg_label_comp_id \n_struct_conf.beg_label_asym_id \n_struct_conf.beg_label_seq_id \n_struct_conf.pdbx_beg_PDB_ins_code \n_struct_conf.end_label_comp_id \n_struct_conf.end_label_asym_id \n_struct_conf.end_label_seq_id \n_struct_conf.pdbx_end_PDB_ins_code \n_struct_conf.beg_auth_comp_id \n_struct_conf.beg_auth_asym_id \n_struct_conf.beg_auth_seq_id \n_struct_conf.end_auth_comp_id \n_struct_conf.end_auth_asym_id \n_struct_conf.end_auth_seq_id \n_struct_conf.pdbx_PDB_helix_class \n_struct_conf.details \n_struct_conf.pdbx_PDB_helix_length \nHELX_P HELX_P1 1 LYS A 16 ? THR A 18 ? LYS A 708 THR A 710 5 ? 3 \nHELX_P HELX_P2 2 ALA A 63 ? VAL A 77 ? ALA A 755 VAL A 769 1 ? 15 \nHELX_P HELX_P3 3 CYS A 105 ? LYS A 114 ? CYS A 797 LYS A 806 1 ? 10 \nHELX_P HELX_P4 4 ASP A 115 ? ILE A 117 ? ASP A 807 ILE A 809 5 ? 3 \nHELX_P HELX_P5 5 GLY A 118 ? ARG A 139 ? GLY A 810 ARG A 831 1 ? 22 \nHELX_P HELX_P6 6 ALA A 147 ? ARG A 149 ? ALA A 839 ARG A 841 5 ? 3 \nHELX_P HELX_P7 7 GLY A 165 ? LEU A 170 ? GLY A 857 LEU A 862 1 ? 6 \nHELX_P HELX_P8 8 GLU A 174 ? GLU A 180 ? GLU A 866 GLU A 872 1 ? 7 \nHELX_P HELX_P9 9 PRO A 185 ? MET A 189 ? PRO A 877 MET A 881 5 ? 5 \nHELX_P HELX_P10 10 ALA A 190 ? ARG A 197 ? ALA A 882 ARG A 889 1 ? 8 \nHELX_P HELX_P11 11 THR A 200 ? THR A 217 ? THR A 892 THR A 909 1 ? 18 \nHELX_P HELX_P12 12 PRO A 227 ? SER A 229 ? PRO A 919 SER A 921 5 ? 3 \nHELX_P HELX_P13 13 GLU A 230 ? LYS A 237 ? GLU A 922 LYS A 929 1 ? 8 \nHELX_P HELX_P14 14 THR A 248 ? TRP A 259 ? THR A 940 TRP A 951 1 ? 12 \nHELX_P HELX_P15 15 ASP A 262 ? ARG A 266 ? ASP A 954 ARG A 958 5 ? 5 \nHELX_P HELX_P16 16 LYS A 268 ? ALA A 280 ? LYS A 960 ALA A 972 1 ? 13 \nHELX_P HELX_P17 17 ASP A 282 ? LEU A 287 ? ASP A 974 LEU A 979 1 ? 6 \nHELX_P HELX_P18 18 GLY A 291 ? MET A 295 ? GLY A 983 MET A 987 5 ? 5 \nHELX_P HELX_P19 19 SER A 299 ? ASP A 302 ? SER A 991 ASP A 994 5 ? 4 \nHELX_P HELX_P20 20 SER A 303 ? ASP A 311 ? SER A 995 ASP A 1003 1 ? 9 \nHELX_P HELX_P21 21 ASP A 320 ? LEU A 325 ? ASP A 1012 LEU A 1017 1 ? 6 \n# \n_struct_conf_type.id HELX_P \n_struct_conf_type.criteria ? \n_struct_conf_type.reference ? \n# \nloop_\n_struct_sheet.id \n_struct_sheet.type \n_struct_sheet.number_strands \n_struct_sheet.details \nA ? 6 ? \nB ? 2 ? \n# \nloop_\n_struct_sheet_order.sheet_id \n_struct_sheet_order.range_id_1 \n_struct_sheet_order.range_id_2 \n_struct_sheet_order.offset \n_struct_sheet_order.sense \nA 1 2 ? parallel \nA 2 3 ? anti-parallel \nA 3 4 ? anti-parallel \nA 4 5 ? anti-parallel \nA 5 6 ? anti-parallel \nB 1 2 ? anti-parallel \n# \nloop_\n_struct_sheet_range.sheet_id \n_struct_sheet_range.id \n_struct_sheet_range.beg_label_comp_id \n_struct_sheet_range.beg_label_asym_id \n_struct_sheet_range.beg_label_seq_id \n_struct_sheet_range.pdbx_beg_PDB_ins_code \n_struct_sheet_range.end_label_comp_id \n_struct_sheet_range.end_label_asym_id \n_struct_sheet_range.end_label_seq_id \n_struct_sheet_range.pdbx_end_PDB_ins_code \n_struct_sheet_range.beg_auth_comp_id \n_struct_sheet_range.beg_auth_asym_id \n_struct_sheet_range.beg_auth_seq_id \n_struct_sheet_range.end_auth_comp_id \n_struct_sheet_range.end_auth_asym_id \n_struct_sheet_range.end_auth_seq_id \nA 1 ARG A 13 ? ILE A 14 ? ARG A 705 ILE A 706 \nA 2 LEU A 85 ? LEU A 90 ? LEU A 777 LEU A 782 \nA 3 VAL A 94 ? GLN A 99 ? VAL A 786 GLN A 791 \nA 4 ILE A 48 ? LEU A 55 ? ILE A 740 LEU A 747 \nA 5 GLY A 32 ? TRP A 39 ? GLY A 724 TRP A 731 \nA 6 PHE A 20 ? SER A 28 ? PHE A 712 SER A 720 \nB 1 VAL A 151 ? THR A 155 ? VAL A 843 THR A 847 \nB 2 HIS A 158 ? ILE A 161 ? HIS A 850 ILE A 853 \n# \nloop_\n_pdbx_struct_sheet_hbond.sheet_id \n_pdbx_struct_sheet_hbond.range_id_1 \n_pdbx_struct_sheet_hbond.range_id_2 \n_pdbx_struct_sheet_hbond.range_1_label_atom_id \n_pdbx_struct_sheet_hbond.range_1_label_comp_id \n_pdbx_struct_sheet_hbond.range_1_label_asym_id \n_pdbx_struct_sheet_hbond.range_1_label_seq_id \n_pdbx_struct_sheet_hbond.range_1_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_1_auth_atom_id \n_pdbx_struct_sheet_hbond.range_1_auth_comp_id \n_pdbx_struct_sheet_hbond.range_1_auth_asym_id \n_pdbx_struct_sheet_hbond.range_1_auth_seq_id \n_pdbx_struct_sheet_hbond.range_2_label_atom_id \n_pdbx_struct_sheet_hbond.range_2_label_comp_id \n_pdbx_struct_sheet_hbond.range_2_label_asym_id \n_pdbx_struct_sheet_hbond.range_2_label_seq_id \n_pdbx_struct_sheet_hbond.range_2_PDB_ins_code \n_pdbx_struct_sheet_hbond.range_2_auth_atom_id \n_pdbx_struct_sheet_hbond.range_2_auth_comp_id \n_pdbx_struct_sheet_hbond.range_2_auth_asym_id \n_pdbx_struct_sheet_hbond.range_2_auth_seq_id \nA 1 2 N ARG A 13 ? N ARG A 705 O ILE A 88 ? O ILE A 780 \nA 2 3 N GLY A 87 ? N GLY A 779 O ILE A 97 ? O ILE A 789 \nA 3 4 O LEU A 96 ? O LEU A 788 N LYS A 53 ? N LYS A 745 \nA 4 5 O ILE A 48 ? O ILE A 740 N TRP A 39 ? N TRP A 731 \nA 5 6 O LYS A 36 ? O LYS A 728 N ILE A 23 ? N ILE A 715 \nB 1 2 N LEU A 152 ? N LEU A 844 O LYS A 160 ? O LYS A 852 \n# \nloop_\n_struct_site.id \n_struct_site.pdbx_evidence_code \n_struct_site.pdbx_auth_asym_id \n_struct_site.pdbx_auth_comp_id \n_struct_site.pdbx_auth_seq_id \n_struct_site.pdbx_auth_ins_code \n_struct_site.pdbx_num_residues \n_struct_site.details \nAC1 Software ? ? ? ? 20 'BINDING SITE FOR RESIDUE W32 A 1101' \nAC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE SO4 A 1102' \n# \nloop_\n_struct_site_gen.id \n_struct_site_gen.site_id \n_struct_site_gen.pdbx_num_res \n_struct_site_gen.label_comp_id \n_struct_site_gen.label_asym_id \n_struct_site_gen.label_seq_id \n_struct_site_gen.pdbx_auth_ins_code \n_struct_site_gen.auth_comp_id \n_struct_site_gen.auth_asym_id \n_struct_site_gen.auth_seq_id \n_struct_site_gen.label_atom_id \n_struct_site_gen.label_alt_id \n_struct_site_gen.symmetry \n_struct_site_gen.details \n1 AC1 20 SER A 28 ? SER A 720 . ? 1_555 ? \n2 AC1 20 ALA A 51 ? ALA A 743 . ? 1_555 ? \n3 AC1 20 LYS A 53 ? LYS A 745 . ? 1_555 ? \n4 AC1 20 MET A 74 ? MET A 766 . ? 1_555 ? \n5 AC1 20 CYS A 83 ? CYS A 775 . ? 1_555 ? \n6 AC1 20 ARG A 84 ? ARG A 776 . ? 1_555 ? \n7 AC1 20 LEU A 85 ? LEU A 777 . ? 1_555 ? \n8 AC1 20 LEU A 96 ? LEU A 788 . ? 1_555 ? \n9 AC1 20 THR A 98 ? THR A 790 . ? 1_555 ? \n10 AC1 20 GLN A 99 ? GLN A 791 . ? 1_555 ? \n11 AC1 20 LEU A 100 ? LEU A 792 . ? 1_555 ? \n12 AC1 20 MET A 101 ? MET A 793 . ? 1_555 ? \n13 AC1 20 LEU A 152 ? LEU A 844 . ? 1_555 ? \n14 AC1 20 THR A 162 ? THR A 854 . ? 1_555 ? \n15 AC1 20 ASP A 163 ? ASP A 855 . ? 1_555 ? \n16 AC1 20 PHE A 164 ? PHE A 856 . ? 1_555 ? \n17 AC1 20 ASP A 250 ? ASP A 942 . ? 3_655 ? \n18 AC1 20 PHE A 305 ? PHE A 997 . ? 1_555 ? \n19 AC1 20 HOH D . ? HOH A 2001 . ? 1_555 ? \n20 AC1 20 HOH D . ? HOH A 2010 . ? 1_555 ? \n21 AC2 4 ARG A 111 ? ARG A 803 . ? 1_555 ? \n22 AC2 4 LYS A 221 ? LYS A 913 . ? 1_555 ? \n23 AC2 4 ARG A 285 ? ARG A 977 . ? 3_655 ? \n24 AC2 4 HOH D . ? HOH A 2037 . ? 1_555 ? \n# \n_database_PDB_matrix.entry_id 3W32 \n_database_PDB_matrix.origx[1][1] 1.000000 \n_database_PDB_matrix.origx[1][2] 0.000000 \n_database_PDB_matrix.origx[1][3] 0.000000 \n_database_PDB_matrix.origx[2][1] 0.000000 \n_database_PDB_matrix.origx[2][2] 1.000000 \n_database_PDB_matrix.origx[2][3] 0.000000 \n_database_PDB_matrix.origx[3][1] 0.000000 \n_database_PDB_matrix.origx[3][2] 0.000000 \n_database_PDB_matrix.origx[3][3] 1.000000 \n_database_PDB_matrix.origx_vector[1] 0.00000 \n_database_PDB_matrix.origx_vector[2] 0.00000 \n_database_PDB_matrix.origx_vector[3] 0.00000 \n# \n_atom_sites.entry_id 3W32 \n_atom_sites.fract_transf_matrix[1][1] 0.021532 \n_atom_sites.fract_transf_matrix[1][2] 0.000000 \n_atom_sites.fract_transf_matrix[1][3] 0.000000 \n_atom_sites.fract_transf_matrix[2][1] 0.000000 \n_atom_sites.fract_transf_matrix[2][2] 0.014640 \n_atom_sites.fract_transf_matrix[2][3] 0.000000 \n_atom_sites.fract_transf_matrix[3][1] 0.000000 \n_atom_sites.fract_transf_matrix[3][2] 0.000000 \n_atom_sites.fract_transf_matrix[3][3] 0.009683 \n_atom_sites.fract_transf_vector[1] 0.00000 \n_atom_sites.fract_transf_vector[2] 0.00000 \n_atom_sites.fract_transf_vector[3] 0.00000 \n# \nloop_\n_atom_type.symbol \nC \nCL \nF \nN \nO \nS \n# \nloop_\n_atom_site.group_PDB \n_atom_site.id \n_atom_site.type_symbol \n_atom_site.label_atom_id \n_atom_site.label_alt_id \n_atom_site.label_comp_id \n_atom_site.label_asym_id \n_atom_site.label_entity_id \n_atom_site.label_seq_id \n_atom_site.pdbx_PDB_ins_code \n_atom_site.Cartn_x \n_atom_site.Cartn_y \n_atom_site.Cartn_z \n_atom_site.occupancy \n_atom_site.B_iso_or_equiv \n_atom_site.pdbx_formal_charge \n_atom_site.auth_seq_id \n_atom_site.auth_comp_id \n_atom_site.auth_asym_id \n_atom_site.auth_atom_id \n_atom_site.pdbx_PDB_model_num \nATOM 1 N N . GLN A 1 9 ? -0.023 33.326 -4.411 1.00 47.95 ? 701 GLN A N 1 \nATOM 2 C CA . GLN A 1 9 ? -0.291 31.978 -3.835 1.00 50.95 ? 701 GLN A CA 1 \nATOM 3 C C . GLN A 1 9 ? 0.946 31.062 -3.957 1.00 47.20 ? 701 GLN A C 1 \nATOM 4 O O . GLN A 1 9 ? 0.876 29.863 -3.659 1.00 47.25 ? 701 GLN A O 1 \nATOM 5 C CB . GLN A 1 9 ? -1.501 31.341 -4.517 1.00 64.85 ? 701 GLN A CB 1 \nATOM 6 C CG . GLN A 1 9 ? -2.441 30.619 -3.562 1.00 84.93 ? 701 GLN A CG 1 \nATOM 7 C CD . GLN A 1 9 ? -3.514 29.816 -4.282 1.00 102.47 ? 701 GLN A CD 1 \nATOM 8 O OE1 . GLN A 1 9 ? -4.681 30.215 -4.329 1.00 95.64 ? 701 GLN A OE1 1 \nATOM 9 N NE2 . GLN A 1 9 ? -3.123 28.679 -4.849 1.00 100.38 ? 701 GLN A NE2 1 \nATOM 10 N N . ALA A 1 10 ? 2.069 31.642 -4.384 1.00 45.71 ? 702 ALA A N 1 \nATOM 11 C CA . ALA A 1 10 ? 3.343 30.929 -4.498 1.00 43.17 ? 702 ALA A CA 1 \nATOM 12 C C . ALA A 1 10 ? 3.775 30.322 -3.161 1.00 47.99 ? 702 ALA A C 1 \nATOM 13 O O . ALA A 1 10 ? 3.538 30.924 -2.110 1.00 44.37 ? 702 ALA A O 1 \nATOM 14 C CB . ALA A 1 10 ? 4.416 31.882 -5.023 1.00 42.30 ? 702 ALA A CB 1 \nATOM 15 N N . LEU A 1 11 ? 4.401 29.139 -3.199 1.00 38.24 ? 703 LEU A N 1 \nATOM 16 C CA . LEU A 1 11 ? 5.009 28.552 -2.003 1.00 37.89 ? 703 LEU A CA 1 \nATOM 17 C C . LEU A 1 11 ? 6.142 29.430 -1.494 1.00 37.81 ? 703 LEU A C 1 \nATOM 18 O O . LEU A 1 11 ? 6.222 29.735 -0.302 1.00 39.19 ? 703 LEU A O 1 \nATOM 19 C CB . LEU A 1 11 ? 5.530 27.130 -2.289 1.00 36.07 ? 703 LEU A CB 1 \nATOM 20 C CG . LEU A 1 11 ? 5.658 26.188 -1.082 1.00 46.85 ? 703 LEU A CG 1 \nATOM 21 C CD1 . LEU A 1 11 ? 4.475 26.310 -0.125 1.00 49.71 ? 703 LEU A CD1 1 \nATOM 22 C CD2 . LEU A 1 11 ? 5.791 24.740 -1.541 1.00 44.12 ? 703 LEU A CD2 1 \nATOM 23 N N . LEU A 1 12 ? 7.016 29.822 -2.415 1.00 33.81 ? 704 LEU A N 1 \nATOM 24 C CA . LEU A 1 12 ? 8.054 30.799 -2.155 1.00 32.97 ? 704 LEU A CA 1 \nATOM 25 C C . LEU A 1 12 ? 7.590 32.151 -2.677 1.00 34.88 ? 704 LEU A C 1 \nATOM 26 O O . LEU A 1 12 ? 7.644 32.424 -3.878 1.00 34.62 ? 704 LEU A O 1 \nATOM 27 C CB . LEU A 1 12 ? 9.371 30.386 -2.831 1.00 33.39 ? 704 LEU A CB 1 \nATOM 28 C CG . LEU A 1 12 ? 10.591 31.295 -2.585 1.00 38.51 ? 704 LEU A CG 1 \nATOM 29 C CD1 . LEU A 1 12 ? 10.953 31.361 -1.104 1.00 34.30 ? 704 LEU A CD1 1 \nATOM 30 C CD2 . LEU A 1 12 ? 11.796 30.854 -3.421 1.00 39.10 ? 704 LEU A CD2 1 \nATOM 31 N N . ARG A 1 13 ? 7.120 33.006 -1.775 1.00 35.37 ? 705 ARG A N 1 \nATOM 32 C CA . ARG A 1 13 ? 6.680 34.346 -2.183 1.00 37.73 ? 705 ARG A CA 1 \nATOM 33 C C . ARG A 1 13 ? 7.840 35.253 -2.555 1.00 41.05 ? 705 ARG A C 1 \nATOM 34 O O . ARG A 1 13 ? 8.844 35.319 -1.838 1.00 40.80 ? 705 ARG A O 1 \nATOM 35 C CB . ARG A 1 13 ? 5.837 34.997 -1.093 1.00 46.62 ? 705 ARG A CB 1 \nATOM 36 C CG . ARG A 1 13 ? 4.460 34.388 -0.965 1.00 48.65 ? 705 ARG A CG 1 \nATOM 37 C CD . ARG A 1 13 ? 3.829 34.763 0.358 1.00 65.57 ? 705 ARG A CD 1 \nATOM 38 N NE . ARG A 1 13 ? 2.514 35.377 0.173 1.00 86.68 ? 705 ARG A NE 1 \nATOM 39 C CZ . ARG A 1 13 ? 1.353 34.757 0.356 1.00 93.12 ? 705 ARG A CZ 1 \nATOM 40 N NH1 . ARG A 1 13 ? 1.317 33.485 0.736 1.00 98.53 ? 705 ARG A NH1 1 \nATOM 41 N NH2 . ARG A 1 13 ? 0.220 35.417 0.161 1.00 92.67 ? 705 ARG A NH2 1 \nATOM 42 N N . ILE A 1 14 ? 7.698 35.943 -3.686 1.00 39.60 ? 706 ILE A N 1 \nATOM 43 C CA . ILE A 1 14 ? 8.700 36.898 -4.116 1.00 43.49 ? 706 ILE A CA 1 \nATOM 44 C C . ILE A 1 14 ? 8.207 38.234 -3.610 1.00 47.29 ? 706 ILE A C 1 \nATOM 45 O O . ILE A 1 14 ? 7.260 38.798 -4.160 1.00 44.25 ? 706 ILE A O 1 \nATOM 46 C CB . ILE A 1 14 ? 8.837 36.961 -5.649 1.00 52.42 ? 706 ILE A CB 1 \nATOM 47 C CG1 . ILE A 1 14 ? 9.004 35.559 -6.256 1.00 51.04 ? 706 ILE A CG1 1 \nATOM 48 C CG2 . ILE A 1 14 ? 9.975 37.897 -6.048 1.00 53.78 ? 706 ILE A CG2 1 \nATOM 49 C CD1 . ILE A 1 14 ? 10.122 34.729 -5.654 1.00 43.80 ? 706 ILE A CD1 1 \nATOM 50 N N . LEU A 1 15 ? 8.836 38.729 -2.552 1.00 44.78 ? 707 LEU A N 1 \nATOM 51 C CA . LEU A 1 15 ? 8.365 39.947 -1.911 1.00 45.23 ? 707 LEU A CA 1 \nATOM 52 C C . LEU A 1 15 ? 9.109 41.154 -2.458 1.00 51.28 ? 707 LEU A C 1 \nATOM 53 O O . LEU A 1 15 ? 10.318 41.092 -2.692 1.00 49.23 ? 707 LEU A O 1 \nATOM 54 C CB . LEU A 1 15 ? 8.544 39.881 -0.391 1.00 47.65 ? 707 LEU A CB 1 \nATOM 55 C CG . LEU A 1 15 ? 8.012 38.705 0.428 1.00 54.52 ? 707 LEU A CG 1 \nATOM 56 C CD1 . LEU A 1 15 ? 8.324 38.928 1.896 1.00 43.38 ? 707 LEU A CD1 1 \nATOM 57 C CD2 . LEU A 1 15 ? 6.521 38.497 0.232 1.00 44.93 ? 707 LEU A CD2 1 \nATOM 58 N N . LYS A 1 16 ? 8.366 42.237 -2.676 1.00 49.18 ? 708 LYS A N 1 \nATOM 59 C CA . LYS A 1 16 ? 8.936 43.529 -3.035 1.00 61.50 ? 708 LYS A CA 1 \nATOM 60 C C . LYS A 1 16 ? 9.393 44.224 -1.768 1.00 50.76 ? 708 LYS A C 1 \nATOM 61 O O . LYS A 1 16 ? 8.770 44.070 -0.717 1.00 45.43 ? 708 LYS A O 1 \nATOM 62 C CB . LYS A 1 16 ? 7.891 44.407 -3.729 1.00 62.24 ? 708 LYS A CB 1 \nATOM 63 C CG . LYS A 1 16 ? 7.556 44.004 -5.157 1.00 77.38 ? 708 LYS A CG 1 \nATOM 64 C CD . LYS A 1 16 ? 6.048 43.943 -5.381 1.00 92.20 ? 708 LYS A CD 1 \nATOM 65 C CE . LYS A 1 16 ? 5.334 45.228 -4.984 1.00 96.25 ? 708 LYS A CE 1 \nATOM 66 N NZ . LYS A 1 16 ? 3.853 45.097 -5.081 1.00 100.00 ? 708 LYS A NZ 1 \nATOM 67 N N . GLU A 1 17 ? 10.473 44.994 -1.879 1.00 51.48 ? 709 GLU A N 1 \nATOM 68 C CA . GLU A 1 17 ? 11.019 45.768 -0.758 1.00 53.55 ? 709 GLU A CA 1 \nATOM 69 C C . GLU A 1 17 ? 9.963 46.612 -0.044 1.00 57.51 ? 709 GLU A C 1 \nATOM 70 O O . GLU A 1 17 ? 10.016 46.795 1.175 1.00 53.23 ? 709 GLU A O 1 \nATOM 71 C CB . GLU A 1 17 ? 12.169 46.651 -1.235 1.00 59.31 ? 709 GLU A CB 1 \nATOM 72 C CG . GLU A 1 17 ? 13.434 45.873 -1.562 1.00 72.06 ? 709 GLU A CG 1 \nATOM 73 C CD . GLU A 1 17 ? 14.597 46.768 -1.940 1.00 93.68 ? 709 GLU A CD 1 \nATOM 74 O OE1 . GLU A 1 17 ? 15.553 46.867 -1.141 1.00 83.68 ? 709 GLU A OE1 1 \nATOM 75 O OE2 . GLU A 1 17 ? 14.556 47.370 -3.037 1.00 102.62 ? 709 GLU A OE2 1 \nATOM 76 N N . THR A 1 18 ? 9.000 47.113 -0.809 1.00 57.55 ? 710 THR A N 1 \nATOM 77 C CA . THR A 1 18 ? 7.909 47.910 -0.252 1.00 61.28 ? 710 THR A CA 1 \nATOM 78 C C . THR A 1 18 ? 6.964 47.093 0.638 1.00 54.24 ? 710 THR A C 1 \nATOM 79 O O . THR A 1 18 ? 6.198 47.661 1.416 1.00 57.81 ? 710 THR A O 1 \nATOM 80 C CB . THR A 1 18 ? 7.093 48.606 -1.364 1.00 63.46 ? 710 THR A CB 1 \nATOM 81 O OG1 . THR A 1 18 ? 6.576 47.624 -2.275 1.00 63.38 ? 710 THR A OG1 1 \nATOM 82 C CG2 . THR A 1 18 ? 7.958 49.614 -2.128 1.00 61.93 ? 710 THR A CG2 1 \nATOM 83 N N . GLU A 1 19 ? 7.034 45.765 0.530 1.00 50.22 ? 711 GLU A N 1 \nATOM 84 C CA . GLU A 1 19 ? 6.124 44.862 1.239 1.00 56.68 ? 711 GLU A CA 1 \nATOM 85 C C . GLU A 1 19 ? 6.551 44.536 2.659 1.00 57.72 ? 711 GLU A C 1 \nATOM 86 O O . GLU A 1 19 ? 5.754 44.024 3.451 1.00 52.39 ? 711 GLU A O 1 \nATOM 87 C CB . GLU A 1 19 ? 6.023 43.535 0.507 1.00 61.93 ? 711 GLU A CB 1 \nATOM 88 C CG . GLU A 1 19 ? 5.118 43.514 -0.698 1.00 62.49 ? 711 GLU A CG 1 \nATOM 89 C CD . GLU A 1 19 ? 5.016 42.116 -1.252 1.00 59.26 ? 711 GLU A CD 1 \nATOM 90 O OE1 . GLU A 1 19 ? 5.574 41.880 -2.337 1.00 54.03 ? 711 GLU A OE1 1 \nATOM 91 O OE2 . GLU A 1 19 ? 4.413 41.250 -0.581 1.00 74.56 ? 711 GLU A OE2 1 \nATOM 92 N N . PHE A 1 20 ? 7.816 44.782 2.967 1.00 48.75 ? 712 PHE A N 1 \nATOM 93 C CA . PHE A 1 20 ? 8.343 44.449 4.291 1.00 54.26 ? 712 PHE A CA 1 \nATOM 94 C C . PHE A 1 20 ? 9.321 45.508 4.795 1.00 45.27 ? 712 PHE A C 1 \nATOM 95 O O . PHE A 1 20 ? 9.920 46.235 4.000 1.00 48.92 ? 712 PHE A O 1 \nATOM 96 C CB . PHE A 1 20 ? 8.976 43.045 4.294 1.00 46.56 ? 712 PHE A CB 1 \nATOM 97 C CG . PHE A 1 20 ? 10.222 42.928 3.457 1.00 42.91 ? 712 PHE A CG 1 \nATOM 98 C CD1 . PHE A 1 20 ? 11.483 43.010 4.046 1.00 51.07 ? 712 PHE A CD1 1 \nATOM 99 C CD2 . PHE A 1 20 ? 10.147 42.734 2.077 1.00 46.22 ? 712 PHE A CD2 1 \nATOM 100 C CE1 . PHE A 1 20 ? 12.644 42.902 3.285 1.00 44.32 ? 712 PHE A CE1 1 \nATOM 101 C CE2 . PHE A 1 20 ? 11.308 42.632 1.312 1.00 42.45 ? 712 PHE A CE2 1 \nATOM 102 C CZ . PHE A 1 20 ? 12.558 42.714 1.917 1.00 46.72 ? 712 PHE A CZ 1 \nATOM 103 N N . LYS A 1 21 ? 9.481 45.577 6.115 1.00 46.12 ? 713 LYS A N 1 \nATOM 104 C CA . LYS A 1 21 ? 10.320 46.606 6.756 1.00 45.30 ? 713 LYS A CA 1 \nATOM 105 C C . LYS A 1 21 ? 11.170 46.000 7.867 1.00 49.56 ? 713 LYS A C 1 \nATOM 106 O O . LYS A 1 21 ? 10.647 45.280 8.717 1.00 45.46 ? 713 LYS A O 1 \nATOM 107 C CB . LYS A 1 21 ? 9.456 47.720 7.356 1.00 49.90 ? 713 LYS A CB 1 \nATOM 108 C CG . LYS A 1 21 ? 8.771 48.628 6.353 1.00 61.39 ? 713 LYS A CG 1 \nATOM 109 C CD . LYS A 1 21 ? 7.824 49.599 7.050 1.00 81.27 ? 713 LYS A CD 1 \nATOM 110 C CE . LYS A 1 21 ? 6.888 50.280 6.056 1.00 69.86 ? 713 LYS A CE 1 \nATOM 111 N NZ . LYS A 1 21 ? 6.043 51.324 6.705 1.00 75.33 ? 713 LYS A NZ 1 \nATOM 112 N N . LYS A 1 22 ? 12.471 46.301 7.847 1.00 42.35 ? 714 LYS A N 1 \nATOM 113 C CA . LYS A 1 22 ? 13.389 45.951 8.930 1.00 46.11 ? 714 LYS A CA 1 \nATOM 114 C C . LYS A 1 22 ? 13.160 46.943 10.061 1.00 49.85 ? 714 LYS A C 1 \nATOM 115 O O . LYS A 1 22 ? 13.256 48.154 9.856 1.00 46.66 ? 714 LYS A O 1 \nATOM 116 C CB . LYS A 1 22 ? 14.845 46.063 8.477 1.00 49.54 ? 714 LYS A CB 1 \nATOM 117 C CG . LYS A 1 22 ? 15.287 45.129 7.369 1.00 53.76 ? 714 LYS A CG 1 \nATOM 118 C CD . LYS A 1 22 ? 16.780 45.310 7.156 1.00 53.79 ? 714 LYS A CD 1 \nATOM 119 C CE . LYS A 1 22 ? 17.258 44.686 5.862 1.00 52.83 ? 714 LYS A CE 1 \nATOM 120 N NZ . LYS A 1 22 ? 16.787 45.457 4.676 1.00 51.68 ? 714 LYS A NZ 1 \nATOM 121 N N . ILE A 1 23 ? 12.852 46.439 11.251 1.00 41.67 ? 715 ILE A N 1 \nATOM 122 C CA . ILE A 1 23 ? 12.489 47.317 12.368 1.00 48.15 ? 715 ILE A CA 1 \nATOM 123 C C . ILE A 1 23 ? 13.658 47.486 13.336 1.00 52.85 ? 715 ILE A C 1 \nATOM 124 O O . ILE A 1 23 ? 14.015 48.611 13.693 1.00 49.85 ? 715 ILE A O 1 \nATOM 125 C CB . ILE A 1 23 ? 11.191 46.843 13.061 1.00 41.49 ? 715 ILE A CB 1 \nATOM 126 C CG1 . ILE A 1 23 ? 10.029 47.003 12.077 1.00 54.99 ? 715 ILE A CG1 1 \nATOM 127 C CG2 . ILE A 1 23 ? 10.918 47.629 14.339 1.00 47.96 ? 715 ILE A CG2 1 \nATOM 128 C CD1 . ILE A 1 23 ? 8.670 46.667 12.641 1.00 54.20 ? 715 ILE A CD1 1 \nATOM 129 N N . LYS A 1 24 ? 14.260 46.369 13.744 1.00 43.46 ? 716 LYS A N 1 \nATOM 130 C CA . LYS A 1 24 ? 15.429 46.392 14.621 1.00 42.49 ? 716 LYS A CA 1 \nATOM 131 C C . LYS A 1 24 ? 16.392 45.271 14.247 1.00 45.76 ? 716 LYS A C 1 \nATOM 132 O O . LYS A 1 24 ? 15.983 44.237 13.719 1.00 37.65 ? 716 LYS A O 1 \nATOM 133 C CB . LYS A 1 24 ? 15.018 46.242 16.094 1.00 41.41 ? 716 LYS A CB 1 \nATOM 134 C CG . LYS A 1 24 ? 14.316 47.443 16.710 1.00 50.17 ? 716 LYS A CG 1 \nATOM 135 C CD . LYS A 1 24 ? 15.288 48.548 17.111 1.00 45.61 ? 716 LYS A CD 1 \nATOM 136 C CE . LYS A 1 24 ? 14.606 49.912 17.154 1.00 50.59 ? 716 LYS A CE 1 \nATOM 137 N NZ . LYS A 1 24 ? 13.715 50.066 18.332 1.00 57.19 ? 716 LYS A NZ 1 \nATOM 138 N N . VAL A 1 25 ? 17.673 45.475 14.541 1.00 41.16 ? 717 VAL A N 1 \nATOM 139 C CA . VAL A 1 25 ? 18.678 44.442 14.362 1.00 44.05 ? 717 VAL A CA 1 \nATOM 140 C C . VAL A 1 25 ? 18.537 43.387 15.446 1.00 43.45 ? 717 VAL A C 1 \nATOM 141 O O . VAL A 1 25 ? 18.310 43.709 16.608 1.00 42.18 ? 717 VAL A O 1 \nATOM 142 C CB . VAL A 1 25 ? 20.107 45.009 14.449 1.00 51.16 ? 717 VAL A CB 1 \nATOM 143 C CG1 . VAL A 1 25 ? 21.126 43.887 14.314 1.00 47.71 ? 717 VAL A CG1 1 \nATOM 144 C CG2 . VAL A 1 25 ? 20.336 46.059 13.379 1.00 50.70 ? 717 VAL A CG2 1 \nATOM 145 N N . LEU A 1 26 ? 18.670 42.119 15.068 1.00 37.54 ? 718 LEU A N 1 \nATOM 146 C CA . LEU A 1 26 ? 18.797 41.074 16.067 1.00 33.15 ? 718 LEU A CA 1 \nATOM 147 C C . LEU A 1 26 ? 20.279 40.757 16.246 1.00 37.30 ? 718 LEU A C 1 \nATOM 148 O O . LEU A 1 26 ? 20.810 40.967 17.326 1.00 35.69 ? 718 LEU A O 1 \nATOM 149 C CB . LEU A 1 26 ? 17.938 39.850 15.721 1.00 36.59 ? 718 LEU A CB 1 \nATOM 150 C CG . LEU A 1 26 ? 16.428 40.166 15.737 1.00 36.86 ? 718 LEU A CG 1 \nATOM 151 C CD1 . LEU A 1 26 ? 15.544 39.021 15.239 1.00 37.85 ? 718 LEU A CD1 1 \nATOM 152 C CD2 . LEU A 1 26 ? 15.991 40.593 17.131 1.00 43.64 ? 718 LEU A CD2 1 \nATOM 153 N N . GLY A 1 27 ? 20.953 40.292 15.192 1.00 36.46 ? 719 GLY A N 1 \nATOM 154 C CA . GLY A 1 27 ? 22.388 39.991 15.276 1.00 44.27 ? 719 GLY A CA 1 \nATOM 155 C C . GLY A 1 27 ? 23.000 39.439 14.002 1.00 57.08 ? 719 GLY A C 1 \nATOM 156 O O . GLY A 1 27 ? 22.282 39.077 13.066 1.00 53.06 ? 719 GLY A O 1 \nATOM 157 N N . SER A 1 28 ? 24.332 39.364 13.984 1.00 50.75 ? 720 SER A N 1 \nATOM 158 C CA . SER A 1 28 ? 25.091 38.813 12.856 1.00 51.92 ? 720 SER A CA 1 \nATOM 159 C C . SER A 1 28 ? 25.623 37.404 13.118 1.00 49.94 ? 720 SER A C 1 \nATOM 160 O O . SER A 1 28 ? 25.669 36.937 14.256 1.00 55.24 ? 720 SER A O 1 \nATOM 161 C CB . SER A 1 28 ? 26.258 39.736 12.495 1.00 63.92 ? 720 SER A CB 1 \nATOM 162 O OG . SER A 1 28 ? 25.807 40.883 11.797 1.00 68.03 ? 720 SER A OG 1 \nATOM 163 N N . GLY A 1 29 ? 26.029 36.737 12.043 1.00 57.18 ? 721 GLY A N 1 \nATOM 164 C CA . GLY A 1 29 ? 26.598 35.399 12.113 1.00 57.01 ? 721 GLY A CA 1 \nATOM 165 C C . GLY A 1 29 ? 27.510 35.199 10.922 1.00 63.27 ? 721 GLY A C 1 \nATOM 166 O O . GLY A 1 29 ? 27.672 36.108 10.098 1.00 61.34 ? 721 GLY A O 1 \nATOM 167 N N . ALA A 1 30 ? 28.107 34.012 10.835 1.00 71.41 ? 722 ALA A N 1 \nATOM 168 C CA . ALA A 1 30 ? 28.983 33.644 9.716 1.00 73.15 ? 722 ALA A CA 1 \nATOM 169 C C . ALA A 1 30 ? 28.313 33.834 8.352 1.00 71.72 ? 722 ALA A C 1 \nATOM 170 O O . ALA A 1 30 ? 28.929 34.359 7.417 1.00 59.12 ? 722 ALA A O 1 \nATOM 171 C CB . ALA A 1 30 ? 29.472 32.207 9.870 1.00 75.65 ? 722 ALA A CB 1 \nATOM 172 N N . PHE A 1 31 ? 27.048 33.425 8.245 1.00 55.28 ? 723 PHE A N 1 \nATOM 173 C CA . PHE A 1 31 ? 26.364 33.451 6.959 1.00 45.36 ? 723 PHE A CA 1 \nATOM 174 C C . PHE A 1 31 ? 25.582 34.728 6.671 1.00 48.16 ? 723 PHE A C 1 \nATOM 175 O O . PHE A 1 31 ? 25.209 34.967 5.523 1.00 48.85 ? 723 PHE A O 1 \nATOM 176 C CB . PHE A 1 31 ? 25.478 32.207 6.773 1.00 54.29 ? 723 PHE A CB 1 \nATOM 177 C CG . PHE A 1 31 ? 26.238 30.908 6.806 1.00 54.47 ? 723 PHE A CG 1 \nATOM 178 C CD1 . PHE A 1 31 ? 25.767 29.831 7.558 1.00 50.67 ? 723 PHE A CD1 1 \nATOM 179 C CD2 . PHE A 1 31 ? 27.441 30.759 6.102 1.00 49.42 ? 723 PHE A CD2 1 \nATOM 180 C CE1 . PHE A 1 31 ? 26.475 28.635 7.608 1.00 55.72 ? 723 PHE A CE1 1 \nATOM 181 C CE2 . PHE A 1 31 ? 28.142 29.562 6.141 1.00 43.55 ? 723 PHE A CE2 1 \nATOM 182 C CZ . PHE A 1 31 ? 27.667 28.504 6.905 1.00 48.56 ? 723 PHE A CZ 1 \nATOM 183 N N . GLY A 1 32 ? 25.325 35.543 7.693 1.00 43.86 ? 724 GLY A N 1 \nATOM 184 C CA . GLY A 1 32 ? 24.590 36.788 7.469 1.00 31.49 ? 724 GLY A CA 1 \nATOM 185 C C . GLY A 1 32 ? 24.017 37.449 8.711 1.00 41.98 ? 724 GLY A C 1 \nATOM 186 O O . GLY A 1 32 ? 24.322 37.039 9.836 1.00 47.37 ? 724 GLY A O 1 \nATOM 187 N N . THR A 1 33 ? 23.156 38.446 8.488 1.00 38.68 ? 725 THR A N 1 \nATOM 188 C CA . THR A 1 33 ? 22.603 39.310 9.542 1.00 38.78 ? 725 THR A CA 1 \nATOM 189 C C . THR A 1 33 ? 21.065 39.285 9.625 1.00 38.49 ? 725 THR A C 1 \nATOM 190 O O . THR A 1 33 ? 20.391 39.449 8.608 1.00 33.98 ? 725 THR A O 1 \nATOM 191 C CB . THR A 1 33 ? 23.053 40.762 9.320 1.00 49.97 ? 725 THR A CB 1 \nATOM 192 O OG1 . THR A 1 33 ? 24.483 40.810 9.375 1.00 46.95 ? 725 THR A OG1 1 \nATOM 193 C CG2 . THR A 1 33 ? 22.472 41.700 10.383 1.00 44.75 ? 725 THR A CG2 1 \nATOM 194 N N . VAL A 1 34 ? 20.534 39.134 10.842 1.00 32.51 ? 726 VAL A N 1 \nATOM 195 C CA . VAL A 1 34 ? 19.070 38.979 11.051 1.00 35.80 ? 726 VAL A CA 1 \nATOM 196 C C . VAL A 1 34 ? 18.414 40.191 11.729 1.00 34.03 ? 726 VAL A C 1 \nATOM 197 O O . VAL A 1 34 ? 18.988 40.751 12.672 1.00 34.12 ? 726 VAL A O 1 \nATOM 198 C CB . VAL A 1 34 ? 18.745 37.679 11.833 1.00 33.62 ? 726 VAL A CB 1 \nATOM 199 C CG1 . VAL A 1 34 ? 17.231 37.439 11.869 1.00 35.20 ? 726 VAL A CG1 1 \nATOM 200 C CG2 . VAL A 1 34 ? 19.400 36.488 11.163 1.00 37.39 ? 726 VAL A CG2 1 \nATOM 201 N N . TYR A 1 35 ? 17.215 40.566 11.254 1.00 33.84 ? 727 TYR A N 1 \nATOM 202 C CA . TYR A 1 35 ? 16.439 41.698 11.760 1.00 32.33 ? 727 TYR A CA 1 \nATOM 203 C C . TYR A 1 35 ? 15.042 41.252 12.170 1.00 37.12 ? 727 TYR A C 1 \nATOM 204 O O . TYR A 1 35 ? 14.463 40.338 11.555 1.00 34.66 ? 727 TYR A O 1 \nATOM 205 C CB . TYR A 1 35 ? 16.246 42.780 10.672 1.00 34.43 ? 727 TYR A CB 1 \nATOM 206 C CG . TYR A 1 35 ? 17.514 43.312 10.073 1.00 40.06 ? 727 TYR A CG 1 \nATOM 207 C CD1 . TYR A 1 35 ? 18.048 44.535 10.495 1.00 44.66 ? 727 TYR A CD1 1 \nATOM 208 C CD2 . TYR A 1 35 ? 18.204 42.586 9.100 1.00 48.07 ? 727 TYR A CD2 1 \nATOM 209 C CE1 . TYR A 1 35 ? 19.233 45.017 9.958 1.00 40.67 ? 727 TYR A CE1 1 \nATOM 210 C CE2 . TYR A 1 35 ? 19.393 43.057 8.559 1.00 45.69 ? 727 TYR A CE2 1 \nATOM 211 C CZ . TYR A 1 35 ? 19.897 44.277 8.987 1.00 50.79 ? 727 TYR A CZ 1 \nATOM 212 O OH . TYR A 1 35 ? 21.076 44.738 8.449 1.00 40.87 ? 727 TYR A OH 1 \nATOM 213 N N . LYS A 1 36 ? 14.496 41.908 13.186 1.00 31.04 ? 728 LYS A N 1 \nATOM 214 C CA . LYS A 1 36 ? 13.046 41.836 13.452 1.00 34.53 ? 728 LYS A CA 1 \nATOM 215 C C . LYS A 1 36 ? 12.362 42.756 12.451 1.00 38.87 ? 728 LYS A C 1 \nATOM 216 O O . LYS A 1 36 ? 12.862 43.841 12.167 1.00 39.43 ? 728 LYS A O 1 \nATOM 217 C CB . LYS A 1 36 ? 12.735 42.293 14.875 1.00 39.98 ? 728 LYS A CB 1 \nATOM 218 C CG . LYS A 1 36 ? 11.263 42.187 15.275 1.00 50.05 ? 728 LYS A CG 1 \nATOM 219 C CD . LYS A 1 36 ? 10.997 42.809 16.640 1.00 41.41 ? 728 LYS A CD 1 \nATOM 220 C CE . LYS A 1 36 ? 10.879 44.322 16.557 1.00 49.69 ? 728 LYS A CE 1 \nATOM 221 N NZ . LYS A 1 36 ? 10.778 44.921 17.913 1.00 50.16 ? 728 LYS A NZ 1 \nATOM 222 N N . GLY A 1 37 ? 11.222 42.334 11.912 1.00 38.44 ? 729 GLY A N 1 \nATOM 223 C CA . GLY A 1 37 ? 10.526 43.156 10.939 1.00 40.01 ? 729 GLY A CA 1 \nATOM 224 C C . GLY A 1 37 ? 9.034 42.913 10.861 1.00 36.82 ? 729 GLY A C 1 \nATOM 225 O O . GLY A 1 37 ? 8.488 42.144 11.635 1.00 33.00 ? 729 GLY A O 1 \nATOM 226 N N . LEU A 1 38 ? 8.388 43.608 9.930 1.00 42.24 ? 730 LEU A N 1 \nATOM 227 C CA . LEU A 1 38 ? 6.978 43.392 9.627 1.00 41.16 ? 730 LEU A CA 1 \nATOM 228 C C . LEU A 1 38 ? 6.790 43.121 8.139 1.00 37.54 ? 730 LEU A C 1 \nATOM 229 O O . LEU A 1 38 ? 7.381 43.794 7.295 1.00 43.28 ? 730 LEU A O 1 \nATOM 230 C CB . LEU A 1 38 ? 6.128 44.602 10.042 1.00 55.61 ? 730 LEU A CB 1 \nATOM 231 C CG . LEU A 1 38 ? 5.797 44.815 11.522 1.00 54.61 ? 730 LEU A CG 1 \nATOM 232 C CD1 . LEU A 1 38 ? 5.056 46.134 11.690 1.00 55.22 ? 730 LEU A CD1 1 \nATOM 233 C CD2 . LEU A 1 38 ? 4.985 43.665 12.105 1.00 62.65 ? 730 LEU A CD2 1 \nATOM 234 N N . TRP A 1 39 ? 5.976 42.119 7.831 1.00 42.21 ? 731 TRP A N 1 \nATOM 235 C CA . TRP A 1 39 ? 5.575 41.865 6.463 1.00 38.29 ? 731 TRP A CA 1 \nATOM 236 C C . TRP A 1 39 ? 4.115 42.307 6.264 1.00 44.54 ? 731 TRP A C 1 \nATOM 237 O O . TRP A 1 39 ? 3.205 41.854 6.974 1.00 40.95 ? 731 TRP A O 1 \nATOM 238 C CB . TRP A 1 39 ? 5.791 40.400 6.085 1.00 44.76 ? 731 TRP A CB 1 \nATOM 239 C CG . TRP A 1 39 ? 5.239 40.023 4.741 1.00 49.04 ? 731 TRP A CG 1 \nATOM 240 C CD1 . TRP A 1 39 ? 5.266 40.773 3.595 1.00 56.68 ? 731 TRP A CD1 1 \nATOM 241 C CD2 . TRP A 1 39 ? 4.591 38.792 4.399 1.00 57.71 ? 731 TRP A CD2 1 \nATOM 242 N NE1 . TRP A 1 39 ? 4.663 40.089 2.569 1.00 61.09 ? 731 TRP A NE1 1 \nATOM 243 C CE2 . TRP A 1 39 ? 4.244 38.869 3.032 1.00 55.11 ? 731 TRP A CE2 1 \nATOM 244 C CE3 . TRP A 1 39 ? 4.266 37.631 5.118 1.00 50.16 ? 731 TRP A CE3 1 \nATOM 245 C CZ2 . TRP A 1 39 ? 3.587 37.833 2.369 1.00 65.58 ? 731 TRP A CZ2 1 \nATOM 246 C CZ3 . TRP A 1 39 ? 3.615 36.603 4.461 1.00 59.33 ? 731 TRP A CZ3 1 \nATOM 247 C CH2 . TRP A 1 39 ? 3.276 36.713 3.098 1.00 60.58 ? 731 TRP A CH2 1 \nATOM 248 N N . ILE A 1 40 ? 3.936 43.209 5.304 1.00 46.64 ? 732 ILE A N 1 \nATOM 249 C CA . ILE A 1 40 ? 2.625 43.709 4.887 1.00 54.61 ? 732 ILE A CA 1 \nATOM 250 C C . ILE A 1 40 ? 2.347 43.178 3.476 1.00 52.31 ? 732 ILE A C 1 \nATOM 251 O O . ILE A 1 40 ? 2.779 43.779 2.492 1.00 58.58 ? 732 ILE A O 1 \nATOM 252 C CB . ILE A 1 40 ? 2.602 45.255 4.904 1.00 54.63 ? 732 ILE A CB 1 \nATOM 253 C CG1 . ILE A 1 40 ? 3.132 45.776 6.246 1.00 54.82 ? 732 ILE A CG1 1 \nATOM 254 C CG2 . ILE A 1 40 ? 1.194 45.787 4.641 1.00 66.79 ? 732 ILE A CG2 1 \nATOM 255 C CD1 . ILE A 1 40 ? 3.898 47.083 6.154 1.00 59.18 ? 732 ILE A CD1 1 \nATOM 256 N N . PRO A 1 41 ? 1.668 42.016 3.370 1.00 54.05 ? 733 PRO A N 1 \nATOM 257 C CA . PRO A 1 41 ? 1.327 41.500 2.042 1.00 58.55 ? 733 PRO A CA 1 \nATOM 258 C C . PRO A 1 41 ? 0.630 42.595 1.229 1.00 65.49 ? 733 PRO A C 1 \nATOM 259 O O . PRO A 1 41 ? -0.188 43.342 1.778 1.00 49.96 ? 733 PRO A O 1 \nATOM 260 C CB . PRO A 1 41 ? 0.373 40.346 2.348 1.00 64.25 ? 733 PRO A CB 1 \nATOM 261 C CG . PRO A 1 41 ? 0.768 39.882 3.707 1.00 61.88 ? 733 PRO A CG 1 \nATOM 262 C CD . PRO A 1 41 ? 1.226 41.110 4.446 1.00 62.75 ? 733 PRO A CD 1 \nATOM 263 N N . GLU A 1 42 ? 0.979 42.695 -0.052 1.00 70.24 ? 734 GLU A N 1 \nATOM 264 C CA . GLU A 1 42 ? 0.686 43.884 -0.872 1.00 94.73 ? 734 GLU A CA 1 \nATOM 265 C C . GLU A 1 42 ? -0.777 44.355 -0.899 1.00 97.63 ? 734 GLU A C 1 \nATOM 266 O O . GLU A 1 42 ? -1.074 45.485 -0.500 1.00 94.38 ? 734 GLU A O 1 \nATOM 267 C CB . GLU A 1 42 ? 1.246 43.724 -2.298 1.00 109.10 ? 734 GLU A CB 1 \nATOM 268 C CG . GLU A 1 42 ? 1.023 42.356 -2.932 1.00 121.90 ? 734 GLU A CG 1 \nATOM 269 C CD . GLU A 1 42 ? 2.032 42.040 -4.022 1.00 137.46 ? 734 GLU A CD 1 \nATOM 270 O OE1 . GLU A 1 42 ? 2.181 42.851 -4.963 1.00 133.69 ? 734 GLU A OE1 1 \nATOM 271 O OE2 . GLU A 1 42 ? 2.677 40.973 -3.941 1.00 133.05 ? 734 GLU A OE2 1 \nATOM 272 N N . GLY A 1 43 ? -1.679 43.493 -1.356 1.00 77.00 ? 735 GLY A N 1 \nATOM 273 C CA . GLY A 1 43 ? -3.081 43.876 -1.524 1.00 102.31 ? 735 GLY A CA 1 \nATOM 274 C C . GLY A 1 43 ? -3.886 43.756 -0.246 1.00 94.49 ? 735 GLY A C 1 \nATOM 275 O O . GLY A 1 43 ? -4.924 44.398 -0.090 1.00 87.16 ? 735 GLY A O 1 \nATOM 276 N N . GLU A 1 44 ? -3.388 42.942 0.677 1.00 84.67 ? 736 GLU A N 1 \nATOM 277 C CA . GLU A 1 44 ? -4.127 42.579 1.880 1.00 78.16 ? 736 GLU A CA 1 \nATOM 278 C C . GLU A 1 44 ? -4.024 43.678 2.935 1.00 83.43 ? 736 GLU A C 1 \nATOM 279 O O . GLU A 1 44 ? -3.373 44.703 2.709 1.00 81.42 ? 736 GLU A O 1 \nATOM 280 C CB . GLU A 1 44 ? -3.615 41.237 2.397 1.00 81.23 ? 736 GLU A CB 1 \nATOM 281 C CG . GLU A 1 44 ? -3.274 40.281 1.260 1.00 77.57 ? 736 GLU A CG 1 \nATOM 282 C CD . GLU A 1 44 ? -2.886 38.898 1.726 1.00 87.99 ? 736 GLU A CD 1 \nATOM 283 O OE1 . GLU A 1 44 ? -1.955 38.315 1.129 1.00 79.62 ? 736 GLU A OE1 1 \nATOM 284 O OE2 . GLU A 1 44 ? -3.512 38.390 2.680 1.00 96.84 ? 736 GLU A OE2 1 \nATOM 285 N N . LYS A 1 45 ? -4.679 43.481 4.076 1.00 74.52 ? 737 LYS A N 1 \nATOM 286 C CA . LYS A 1 45 ? -4.699 44.519 5.107 1.00 87.38 ? 737 LYS A CA 1 \nATOM 287 C C . LYS A 1 45 ? -4.260 44.016 6.485 1.00 96.71 ? 737 LYS A C 1 \nATOM 288 O O . LYS A 1 45 ? -4.977 44.181 7.477 1.00 109.85 ? 737 LYS A O 1 \nATOM 289 C CB . LYS A 1 45 ? -6.077 45.199 5.170 1.00 102.72 ? 737 LYS A CB 1 \nATOM 290 C CG . LYS A 1 45 ? -6.406 46.051 3.949 1.00 109.69 ? 737 LYS A CG 1 \nATOM 291 C CD . LYS A 1 45 ? -7.648 46.936 4.172 1.00 118.48 ? 737 LYS A CD 1 \nATOM 292 C CE . LYS A 1 45 ? -7.282 48.276 4.851 1.00 123.12 ? 737 LYS A CE 1 \nATOM 293 N NZ . LYS A 1 45 ? -8.538 49.108 5.062 1.00 124.87 ? 737 LYS A NZ 1 \nATOM 294 N N . VAL A 1 46 ? -3.074 43.406 6.534 1.00 81.63 ? 738 VAL A N 1 \nATOM 295 C CA . VAL A 1 46 ? -2.501 42.891 7.786 1.00 70.23 ? 738 VAL A CA 1 \nATOM 296 C C . VAL A 1 46 ? -0.992 43.163 7.922 1.00 67.18 ? 738 VAL A C 1 \nATOM 297 O O . VAL A 1 46 ? -0.292 43.394 6.933 1.00 49.00 ? 738 VAL A O 1 \nATOM 298 C CB . VAL A 1 46 ? -2.770 41.373 7.985 1.00 75.03 ? 738 VAL A CB 1 \nATOM 299 C CG1 . VAL A 1 46 ? -4.250 41.103 8.236 1.00 86.92 ? 738 VAL A CG1 1 \nATOM 300 C CG2 . VAL A 1 46 ? -2.252 40.551 6.808 1.00 64.70 ? 738 VAL A CG2 1 \nATOM 301 N N . LYS A 1 47 ? -0.516 43.146 9.165 1.00 59.40 ? 739 LYS A N 1 \nATOM 302 C CA . LYS A 1 47 ? 0.904 43.256 9.475 1.00 60.90 ? 739 LYS A CA 1 \nATOM 303 C C . LYS A 1 47 ? 1.318 41.933 10.119 1.00 50.28 ? 739 LYS A C 1 \nATOM 304 O O . LYS A 1 47 ? 0.703 41.504 11.090 1.00 49.12 ? 739 LYS A O 1 \nATOM 305 C CB . LYS A 1 47 ? 1.147 44.419 10.443 1.00 54.97 ? 739 LYS A CB 1 \nATOM 306 C CG . LYS A 1 47 ? 0.870 45.811 9.886 1.00 67.55 ? 739 LYS A CG 1 \nATOM 307 C CD . LYS A 1 47 ? 0.807 46.815 11.029 1.00 68.22 ? 739 LYS A CD 1 \nATOM 308 C CE . LYS A 1 47 ? 0.849 48.258 10.555 1.00 69.70 ? 739 LYS A CE 1 \nATOM 309 N NZ . LYS A 1 47 ? 0.897 49.182 11.726 1.00 63.68 ? 739 LYS A NZ 1 \nATOM 310 N N . ILE A 1 48 ? 2.334 41.275 9.569 1.00 53.92 ? 740 ILE A N 1 \nATOM 311 C CA . ILE A 1 48 ? 2.775 39.976 10.098 1.00 43.42 ? 740 ILE A CA 1 \nATOM 312 C C . ILE A 1 48 ? 4.222 40.069 10.602 1.00 38.89 ? 740 ILE A C 1 \nATOM 313 O O . ILE A 1 48 ? 5.111 40.395 9.830 1.00 37.20 ? 740 ILE A O 1 \nATOM 314 C CB . ILE A 1 48 ? 2.637 38.847 9.043 1.00 47.72 ? 740 ILE A CB 1 \nATOM 315 C CG1 . ILE A 1 48 ? 1.192 38.754 8.531 1.00 44.69 ? 740 ILE A CG1 1 \nATOM 316 C CG2 . ILE A 1 48 ? 3.097 37.499 9.607 1.00 42.82 ? 740 ILE A CG2 1 \nATOM 317 C CD1 . ILE A 1 48 ? 1.076 38.138 7.152 1.00 46.45 ? 740 ILE A CD1 1 \nATOM 318 N N . PRO A 1 49 ? 4.452 39.781 11.897 1.00 40.77 ? 741 PRO A N 1 \nATOM 319 C CA . PRO A 1 49 ? 5.827 39.786 12.440 1.00 39.30 ? 741 PRO A CA 1 \nATOM 320 C C . PRO A 1 49 ? 6.717 38.738 11.759 1.00 38.75 ? 741 PRO A C 1 \nATOM 321 O O . PRO A 1 49 ? 6.362 37.551 11.684 1.00 38.50 ? 741 PRO A O 1 \nATOM 322 C CB . PRO A 1 49 ? 5.632 39.455 13.923 1.00 38.97 ? 741 PRO A CB 1 \nATOM 323 C CG . PRO A 1 49 ? 4.153 39.637 14.186 1.00 41.99 ? 741 PRO A CG 1 \nATOM 324 C CD . PRO A 1 49 ? 3.478 39.309 12.893 1.00 42.15 ? 741 PRO A CD 1 \nATOM 325 N N . VAL A 1 50 ? 7.853 39.202 11.251 1.00 38.86 ? 742 VAL A N 1 \nATOM 326 C CA . VAL A 1 50 ? 8.786 38.356 10.514 1.00 38.13 ? 742 VAL A CA 1 \nATOM 327 C C . VAL A 1 50 ? 10.231 38.581 11.005 1.00 34.95 ? 742 VAL A C 1 \nATOM 328 O O . VAL A 1 50 ? 10.561 39.632 11.583 1.00 34.01 ? 742 VAL A O 1 \nATOM 329 C CB . VAL A 1 50 ? 8.687 38.599 8.982 1.00 37.29 ? 742 VAL A CB 1 \nATOM 330 C CG1 . VAL A 1 50 ? 7.346 38.112 8.437 1.00 40.56 ? 742 VAL A CG1 1 \nATOM 331 C CG2 . VAL A 1 50 ? 8.931 40.075 8.615 1.00 37.85 ? 742 VAL A CG2 1 \nATOM 332 N N . ALA A 1 51 ? 11.064 37.564 10.815 1.00 30.95 ? 743 ALA A N 1 \nATOM 333 C CA . ALA A 1 51 ? 12.504 37.735 10.909 1.00 31.06 ? 743 ALA A CA 1 \nATOM 334 C C . ALA A 1 51 ? 12.971 37.867 9.468 1.00 29.26 ? 743 ALA A C 1 \nATOM 335 O O . ALA A 1 51 ? 12.443 37.205 8.545 1.00 29.67 ? 743 ALA A O 1 \nATOM 336 C CB . ALA A 1 51 ? 13.145 36.521 11.607 1.00 27.75 ? 743 ALA A CB 1 \nATOM 337 N N . ILE A 1 52 ? 13.960 38.729 9.257 1.00 29.82 ? 744 ILE A N 1 \nATOM 338 C CA . ILE A 1 52 ? 14.482 38.989 7.941 1.00 26.91 ? 744 ILE A CA 1 \nATOM 339 C C . ILE A 1 52 ? 15.996 38.776 7.997 1.00 32.94 ? 744 ILE A C 1 \nATOM 340 O O . ILE A 1 52 ? 16.659 39.439 8.787 1.00 31.67 ? 744 ILE A O 1 \nATOM 341 C CB . ILE A 1 52 ? 14.187 40.451 7.521 1.00 32.45 ? 744 ILE A CB 1 \nATOM 342 C CG1 . ILE A 1 52 ? 12.668 40.686 7.463 1.00 33.88 ? 744 ILE A CG1 1 \nATOM 343 C CG2 . ILE A 1 52 ? 14.811 40.752 6.170 1.00 33.17 ? 744 ILE A CG2 1 \nATOM 344 C CD1 . ILE A 1 52 ? 12.266 42.143 7.435 1.00 43.30 ? 744 ILE A CD1 1 \nATOM 345 N N . LYS A 1 53 ? 16.513 37.833 7.209 1.00 31.04 ? 745 LYS A N 1 \nATOM 346 C CA . LYS A 1 53 ? 17.973 37.573 7.139 1.00 31.99 ? 745 LYS A CA 1 \nATOM 347 C C . LYS A 1 53 ? 18.524 38.109 5.822 1.00 39.09 ? 745 LYS A C 1 \nATOM 348 O O . LYS A 1 53 ? 18.134 37.638 4.751 1.00 38.70 ? 745 LYS A O 1 \nATOM 349 C CB . LYS A 1 53 ? 18.294 36.063 7.319 1.00 28.72 ? 745 LYS A CB 1 \nATOM 350 C CG . LYS A 1 53 ? 19.802 35.726 7.423 1.00 31.87 ? 745 LYS A CG 1 \nATOM 351 C CD . LYS A 1 53 ? 20.007 34.389 8.138 1.00 31.76 ? 745 LYS A CD 1 \nATOM 352 C CE . LYS A 1 53 ? 21.491 34.095 8.338 1.00 35.24 ? 745 LYS A CE 1 \nATOM 353 N NZ . LYS A 1 53 ? 21.698 32.907 9.205 1.00 39.22 ? 745 LYS A NZ 1 \nATOM 354 N N . GLU A 1 54 ? 19.416 39.106 5.904 1.00 34.93 ? 746 GLU A N 1 \nATOM 355 C CA . GLU A 1 54 ? 20.142 39.638 4.746 1.00 33.61 ? 746 GLU A CA 1 \nATOM 356 C C . GLU A 1 54 ? 21.526 38.979 4.663 1.00 41.73 ? 746 GLU A C 1 \nATOM 357 O O . GLU A 1 54 ? 22.298 39.054 5.609 1.00 40.63 ? 746 GLU A O 1 \nATOM 358 C CB . GLU A 1 54 ? 20.301 41.152 4.901 1.00 38.35 ? 746 GLU A CB 1 \nATOM 359 C CG . GLU A 1 54 ? 20.665 41.861 3.615 1.00 43.31 ? 746 GLU A CG 1 \nATOM 360 C CD . GLU A 1 54 ? 20.339 43.344 3.649 1.00 56.57 ? 746 GLU A CD 1 \nATOM 361 O OE1 . GLU A 1 54 ? 20.746 44.024 4.616 1.00 60.73 ? 746 GLU A OE1 1 \nATOM 362 O OE2 . GLU A 1 54 ? 19.673 43.828 2.704 1.00 56.47 ? 746 GLU A OE2 1 \nATOM 363 N N . LEU A 1 55 ? 21.833 38.337 3.537 1.00 44.06 ? 747 LEU A N 1 \nATOM 364 C CA . LEU A 1 55 ? 23.024 37.488 3.450 1.00 49.19 ? 747 LEU A CA 1 \nATOM 365 C C . LEU A 1 55 ? 24.281 38.279 3.131 1.00 60.11 ? 747 LEU A C 1 \nATOM 366 O O . LEU A 1 55 ? 24.202 39.411 2.649 1.00 50.14 ? 747 LEU A O 1 \nATOM 367 C CB . LEU A 1 55 ? 22.837 36.348 2.436 1.00 42.55 ? 747 LEU A CB 1 \nATOM 368 C CG . LEU A 1 55 ? 21.603 35.433 2.522 1.00 47.94 ? 747 LEU A CG 1 \nATOM 369 C CD1 . LEU A 1 55 ? 21.721 34.261 1.547 1.00 56.88 ? 747 LEU A CD1 1 \nATOM 370 C CD2 . LEU A 1 55 ? 21.335 34.931 3.938 1.00 48.40 ? 747 LEU A CD2 1 \nATOM 371 N N . ARG A 1 56 ? 25.429 37.670 3.439 1.00 66.18 ? 748 ARG A N 1 \nATOM 372 C CA . ARG A 1 56 ? 26.741 38.168 3.020 1.00 88.68 ? 748 ARG A CA 1 \nATOM 373 C C . ARG A 1 56 ? 26.890 37.940 1.518 1.00 83.15 ? 748 ARG A C 1 \nATOM 374 O O . ARG A 1 56 ? 26.540 36.871 1.007 1.00 58.47 ? 748 ARG A O 1 \nATOM 375 C CB . ARG A 1 56 ? 27.867 37.432 3.760 1.00 95.20 ? 748 ARG A CB 1 \nATOM 376 C CG . ARG A 1 56 ? 27.684 37.308 5.267 1.00 111.81 ? 748 ARG A CG 1 \nATOM 377 C CD . ARG A 1 56 ? 28.485 38.345 6.036 1.00 116.77 ? 748 ARG A CD 1 \nATOM 378 N NE . ARG A 1 56 ? 28.166 38.317 7.463 1.00 121.49 ? 748 ARG A NE 1 \nATOM 379 C CZ . ARG A 1 56 ? 28.992 38.701 8.434 1.00 124.58 ? 748 ARG A CZ 1 \nATOM 380 N NH1 . ARG A 1 56 ? 28.598 38.637 9.698 1.00 118.79 ? 748 ARG A NH1 1 \nATOM 381 N NH2 . ARG A 1 56 ? 30.213 39.139 8.150 1.00 121.87 ? 748 ARG A NH2 1 \nATOM 382 N N . GLU A 1 57 ? 27.406 38.949 0.821 1.00 98.46 ? 749 GLU A N 1 \nATOM 383 C CA . GLU A 1 57 ? 27.601 38.891 -0.630 1.00 109.01 ? 749 GLU A CA 1 \nATOM 384 C C . GLU A 1 57 ? 28.856 38.102 -1.017 1.00 119.10 ? 749 GLU A C 1 \nATOM 385 O O . GLU A 1 57 ? 29.662 37.740 -0.156 1.00 127.74 ? 749 GLU A O 1 \nATOM 386 C CB . GLU A 1 57 ? 27.675 40.307 -1.207 1.00 107.94 ? 749 GLU A CB 1 \nATOM 387 C CG . GLU A 1 57 ? 26.412 41.134 -1.012 1.00 122.50 ? 749 GLU A CG 1 \nATOM 388 C CD . GLU A 1 57 ? 26.530 42.544 -1.567 1.00 131.75 ? 749 GLU A CD 1 \nATOM 389 O OE1 . GLU A 1 57 ? 27.541 42.855 -2.234 1.00 129.10 ? 749 GLU A OE1 1 \nATOM 390 O OE2 . GLU A 1 57 ? 25.601 43.347 -1.337 1.00 141.68 ? 749 GLU A OE2 1 \nATOM 391 N N . ALA A 1 58 ? 29.008 37.836 -2.315 1.00 115.00 ? 750 ALA A N 1 \nATOM 392 C CA . ALA A 1 58 ? 30.204 37.181 -2.856 1.00 118.99 ? 750 ALA A CA 1 \nATOM 393 C C . ALA A 1 58 ? 30.743 37.944 -4.068 1.00 126.64 ? 750 ALA A C 1 \nATOM 394 O O . ALA A 1 58 ? 30.009 38.716 -4.692 1.00 142.14 ? 750 ALA A O 1 \nATOM 395 C CB . ALA A 1 58 ? 29.900 35.736 -3.224 1.00 111.74 ? 750 ALA A CB 1 \nATOM 396 N N . THR A 1 59 ? 32.022 37.735 -4.391 1.00 123.82 ? 751 THR A N 1 \nATOM 397 C CA . THR A 1 59 ? 32.648 38.356 -5.569 1.00 124.40 ? 751 THR A CA 1 \nATOM 398 C C . THR A 1 59 ? 32.044 37.774 -6.848 1.00 124.78 ? 751 THR A C 1 \nATOM 399 O O . THR A 1 59 ? 31.735 38.509 -7.791 1.00 116.74 ? 751 THR A O 1 \nATOM 400 C CB . THR A 1 59 ? 34.185 38.166 -5.588 1.00 118.19 ? 751 THR A CB 1 \nATOM 401 O OG1 . THR A 1 59 ? 34.721 38.383 -4.277 1.00 103.31 ? 751 THR A OG1 1 \nATOM 402 C CG2 . THR A 1 59 ? 34.848 39.136 -6.573 1.00 100.42 ? 751 THR A CG2 1 \nATOM 403 N N . SER A 1 60 ? 31.885 36.451 -6.862 1.00 121.20 ? 752 SER A N 1 \nATOM 404 C CA . SER A 1 60 ? 31.194 35.752 -7.939 1.00 135.31 ? 752 SER A CA 1 \nATOM 405 C C . SER A 1 60 ? 29.938 35.072 -7.380 1.00 129.14 ? 752 SER A C 1 \nATOM 406 O O . SER A 1 60 ? 29.976 33.894 -7.008 1.00 125.03 ? 752 SER A O 1 \nATOM 407 C CB . SER A 1 60 ? 32.123 34.735 -8.613 1.00 131.46 ? 752 SER A CB 1 \nATOM 408 O OG . SER A 1 60 ? 31.457 34.039 -9.655 1.00 119.19 ? 752 SER A OG 1 \nATOM 409 N N . PRO A 1 61 ? 28.819 35.821 -7.308 1.00 118.58 ? 753 PRO A N 1 \nATOM 410 C CA . PRO A 1 61 ? 27.589 35.277 -6.740 1.00 106.64 ? 753 PRO A CA 1 \nATOM 411 C C . PRO A 1 61 ? 26.877 34.351 -7.720 1.00 97.42 ? 753 PRO A C 1 \nATOM 412 O O . PRO A 1 61 ? 27.150 34.390 -8.922 1.00 88.50 ? 753 PRO A O 1 \nATOM 413 C CB . PRO A 1 61 ? 26.730 36.526 -6.474 1.00 107.50 ? 753 PRO A CB 1 \nATOM 414 C CG . PRO A 1 61 ? 27.528 37.708 -6.938 1.00 107.49 ? 753 PRO A CG 1 \nATOM 415 C CD . PRO A 1 61 ? 28.618 37.187 -7.821 1.00 102.77 ? 753 PRO A CD 1 \nATOM 416 N N . LYS A 1 62 ? 25.976 33.523 -7.199 1.00 91.73 ? 754 LYS A N 1 \nATOM 417 C CA . LYS A 1 62 ? 25.143 32.653 -8.028 1.00 78.40 ? 754 LYS A CA 1 \nATOM 418 C C . LYS A 1 62 ? 24.059 33.471 -8.747 1.00 72.59 ? 754 LYS A C 1 \nATOM 419 O O . LYS A 1 62 ? 23.679 34.553 -8.283 1.00 71.52 ? 754 LYS A O 1 \nATOM 420 C CB . LYS A 1 62 ? 24.516 31.548 -7.171 1.00 66.50 ? 754 LYS A CB 1 \nATOM 421 C CG . LYS A 1 62 ? 25.522 30.572 -6.582 1.00 66.51 ? 754 LYS A CG 1 \nATOM 422 C CD . LYS A 1 62 ? 24.844 29.511 -5.730 1.00 67.17 ? 754 LYS A CD 1 \nATOM 423 C CE . LYS A 1 62 ? 25.850 28.490 -5.217 1.00 71.27 ? 754 LYS A CE 1 \nATOM 424 N NZ . LYS A 1 62 ? 25.199 27.456 -4.367 1.00 72.05 ? 754 LYS A NZ 1 \nATOM 425 N N . ALA A 1 63 ? 23.582 32.965 -9.885 1.00 67.58 ? 755 ALA A N 1 \nATOM 426 C CA . ALA A 1 63 ? 22.470 33.596 -10.607 1.00 64.10 ? 755 ALA A CA 1 \nATOM 427 C C . ALA A 1 63 ? 21.197 33.558 -9.757 1.00 59.06 ? 755 ALA A C 1 \nATOM 428 O O . ALA A 1 63 ? 21.026 32.662 -8.924 1.00 48.83 ? 755 ALA A O 1 \nATOM 429 C CB . ALA A 1 63 ? 22.241 32.908 -11.946 1.00 62.79 ? 755 ALA A CB 1 \nATOM 430 N N . ASN A 1 64 ? 20.311 34.532 -9.961 1.00 55.32 ? 756 ASN A N 1 \nATOM 431 C CA . ASN A 1 64 ? 19.058 34.580 -9.210 1.00 57.65 ? 756 ASN A CA 1 \nATOM 432 C C . ASN A 1 64 ? 18.246 33.282 -9.306 1.00 49.83 ? 756 ASN A C 1 \nATOM 433 O O . ASN A 1 64 ? 17.713 32.811 -8.305 1.00 52.47 ? 756 ASN A O 1 \nATOM 434 C CB . ASN A 1 64 ? 18.214 35.782 -9.636 1.00 61.10 ? 756 ASN A CB 1 \nATOM 435 C CG . ASN A 1 64 ? 18.737 37.095 -9.070 1.00 65.60 ? 756 ASN A CG 1 \nATOM 436 O OD1 . ASN A 1 64 ? 18.241 38.166 -9.417 1.00 66.39 ? 756 ASN A OD1 1 \nATOM 437 N ND2 . ASN A 1 64 ? 19.733 37.018 -8.188 1.00 62.03 ? 756 ASN A ND2 1 \nATOM 438 N N . LYS A 1 65 ? 18.188 32.693 -10.499 1.00 48.32 ? 757 LYS A N 1 \nATOM 439 C CA . LYS A 1 65 ? 17.363 31.496 -10.707 1.00 53.97 ? 757 LYS A CA 1 \nATOM 440 C C . LYS A 1 65 ? 17.885 30.303 -9.916 1.00 52.23 ? 757 LYS A C 1 \nATOM 441 O O . LYS A 1 65 ? 17.101 29.474 -9.457 1.00 38.94 ? 757 LYS A O 1 \nATOM 442 C CB . LYS A 1 65 ? 17.178 31.163 -12.198 1.00 57.10 ? 757 LYS A CB 1 \nATOM 443 C CG . LYS A 1 65 ? 18.445 30.784 -12.949 1.00 62.89 ? 757 LYS A CG 1 \nATOM 444 C CD . LYS A 1 65 ? 18.134 30.400 -14.385 1.00 67.24 ? 757 LYS A CD 1 \nATOM 445 C CE . LYS A 1 65 ? 19.369 29.866 -15.088 1.00 78.98 ? 757 LYS A CE 1 \nATOM 446 N NZ . LYS A 1 65 ? 19.072 29.478 -16.495 1.00 98.58 ? 757 LYS A NZ 1 \nATOM 447 N N . GLU A 1 66 ? 19.205 30.237 -9.731 1.00 41.71 ? 758 GLU A N 1 \nATOM 448 C CA . GLU A 1 66 ? 19.816 29.184 -8.921 1.00 45.36 ? 758 GLU A CA 1 \nATOM 449 C C . GLU A 1 66 ? 19.512 29.391 -7.426 1.00 45.14 ? 758 GLU A C 1 \nATOM 450 O O . GLU A 1 66 ? 19.180 28.437 -6.706 1.00 43.16 ? 758 GLU A O 1 \nATOM 451 C CB . GLU A 1 66 ? 21.327 29.142 -9.166 1.00 56.18 ? 758 GLU A CB 1 \nATOM 452 C CG . GLU A 1 66 ? 22.010 27.873 -8.669 1.00 74.96 ? 758 GLU A CG 1 \nATOM 453 C CD . GLU A 1 66 ? 23.509 27.857 -8.933 1.00 89.13 ? 758 GLU A CD 1 \nATOM 454 O OE1 . GLU A 1 66 ? 24.235 27.159 -8.193 1.00 109.33 ? 758 GLU A OE1 1 \nATOM 455 O OE2 . GLU A 1 66 ? 23.968 28.536 -9.878 1.00 81.56 ? 758 GLU A OE2 1 \nATOM 456 N N . ILE A 1 67 ? 19.643 30.638 -6.971 1.00 38.74 ? 759 ILE A N 1 \nATOM 457 C CA . ILE A 1 67 ? 19.234 31.052 -5.622 1.00 40.45 ? 759 ILE A CA 1 \nATOM 458 C C . ILE A 1 67 ? 17.742 30.767 -5.383 1.00 37.42 ? 759 ILE A C 1 \nATOM 459 O O . ILE A 1 67 ? 17.347 30.206 -4.353 1.00 36.66 ? 759 ILE A O 1 \nATOM 460 C CB . ILE A 1 67 ? 19.533 32.554 -5.393 1.00 43.35 ? 759 ILE A CB 1 \nATOM 461 C CG1 . ILE A 1 67 ? 21.053 32.762 -5.243 1.00 47.56 ? 759 ILE A CG1 1 \nATOM 462 C CG2 . ILE A 1 67 ? 18.767 33.078 -4.186 1.00 43.77 ? 759 ILE A CG2 1 \nATOM 463 C CD1 . ILE A 1 67 ? 21.516 34.207 -5.124 1.00 44.09 ? 759 ILE A CD1 1 \nATOM 464 N N . LEU A 1 68 ? 16.923 31.151 -6.340 1.00 32.59 ? 760 LEU A N 1 \nATOM 465 C CA . LEU A 1 68 ? 15.477 30.871 -6.229 1.00 44.54 ? 760 LEU A CA 1 \nATOM 466 C C . LEU A 1 68 ? 15.206 29.372 -6.123 1.00 43.78 ? 760 LEU A C 1 \nATOM 467 O O . LEU A 1 68 ? 14.351 28.949 -5.341 1.00 38.07 ? 760 LEU A O 1 \nATOM 468 C CB . LEU A 1 68 ? 14.701 31.506 -7.382 1.00 37.58 ? 760 LEU A CB 1 \nATOM 469 C CG . LEU A 1 68 ? 14.663 33.030 -7.272 1.00 40.85 ? 760 LEU A CG 1 \nATOM 470 C CD1 . LEU A 1 68 ? 14.118 33.694 -8.532 1.00 47.14 ? 760 LEU A CD1 1 \nATOM 471 C CD2 . LEU A 1 68 ? 13.882 33.459 -6.040 1.00 39.46 ? 760 LEU A CD2 1 \nATOM 472 N N . ASP A 1 69 ? 15.966 28.576 -6.874 1.00 37.26 ? 761 ASP A N 1 \nATOM 473 C CA . ASP A 1 69 ? 15.788 27.126 -6.889 1.00 39.19 ? 761 ASP A CA 1 \nATOM 474 C C . ASP A 1 69 ? 16.110 26.500 -5.525 1.00 46.00 ? 761 ASP A C 1 \nATOM 475 O O . ASP A 1 69 ? 15.381 25.626 -5.051 1.00 41.12 ? 761 ASP A O 1 \nATOM 476 C CB . ASP A 1 69 ? 16.625 26.501 -8.020 1.00 44.22 ? 761 ASP A CB 1 \nATOM 477 C CG . ASP A 1 69 ? 16.461 24.979 -8.126 1.00 58.33 ? 761 ASP A CG 1 \nATOM 478 O OD1 . ASP A 1 69 ? 17.492 24.284 -8.152 1.00 49.31 ? 761 ASP A OD1 1 \nATOM 479 O OD2 . ASP A 1 69 ? 15.316 24.470 -8.200 1.00 47.84 ? 761 ASP A OD2 1 \nATOM 480 N N . GLU A 1 70 ? 17.191 26.954 -4.888 1.00 36.07 ? 762 GLU A N 1 \nATOM 481 C CA . GLU A 1 70 ? 17.560 26.438 -3.576 1.00 34.81 ? 762 GLU A CA 1 \nATOM 482 C C . GLU A 1 70 ? 16.600 26.948 -2.508 1.00 32.41 ? 762 GLU A C 1 \nATOM 483 O O . GLU A 1 70 ? 16.215 26.209 -1.596 1.00 36.70 ? 762 GLU A O 1 \nATOM 484 C CB . GLU A 1 70 ? 19.029 26.775 -3.256 1.00 39.98 ? 762 GLU A CB 1 \nATOM 485 C CG . GLU A 1 70 ? 19.960 26.152 -4.283 1.00 46.30 ? 762 GLU A CG 1 \nATOM 486 C CD . GLU A 1 70 ? 21.394 25.995 -3.807 1.00 67.31 ? 762 GLU A CD 1 \nATOM 487 O OE1 . GLU A 1 70 ? 22.255 25.711 -4.666 1.00 61.02 ? 762 GLU A OE1 1 \nATOM 488 O OE2 . GLU A 1 70 ? 21.667 26.144 -2.592 1.00 60.07 ? 762 GLU A OE2 1 \nATOM 489 N N . ALA A 1 71 ? 16.161 28.196 -2.654 1.00 31.03 ? 763 ALA A N 1 \nATOM 490 C CA . ALA A 1 71 ? 15.258 28.767 -1.667 1.00 30.15 ? 763 ALA A CA 1 \nATOM 491 C C . ALA A 1 71 ? 13.909 28.042 -1.718 1.00 31.96 ? 763 ALA A C 1 \nATOM 492 O O . ALA A 1 71 ? 13.237 27.930 -0.700 1.00 32.14 ? 763 ALA A O 1 \nATOM 493 C CB . ALA A 1 71 ? 15.065 30.253 -1.887 1.00 31.59 ? 763 ALA A CB 1 \nATOM 494 N N . TYR A 1 72 ? 13.541 27.551 -2.895 1.00 28.99 ? 764 TYR A N 1 \nATOM 495 C CA . TYR A 1 72 ? 12.229 26.863 -3.044 1.00 29.83 ? 764 TYR A CA 1 \nATOM 496 C C . TYR A 1 72 ? 12.189 25.668 -2.112 1.00 28.72 ? 764 TYR A C 1 \nATOM 497 O O . TYR A 1 72 ? 11.184 25.426 -1.469 1.00 29.34 ? 764 TYR A O 1 \nATOM 498 C CB . TYR A 1 72 ? 11.968 26.408 -4.481 1.00 30.91 ? 764 TYR A CB 1 \nATOM 499 C CG . TYR A 1 72 ? 10.617 25.705 -4.651 1.00 30.27 ? 764 TYR A CG 1 \nATOM 500 C CD1 . TYR A 1 72 ? 10.525 24.314 -4.685 1.00 29.95 ? 764 TYR A CD1 1 \nATOM 501 C CD2 . TYR A 1 72 ? 9.448 26.447 -4.774 1.00 31.11 ? 764 TYR A CD2 1 \nATOM 502 C CE1 . TYR A 1 72 ? 9.299 23.683 -4.830 1.00 36.51 ? 764 TYR A CE1 1 \nATOM 503 C CE2 . TYR A 1 72 ? 8.212 25.822 -4.915 1.00 34.02 ? 764 TYR A CE2 1 \nATOM 504 C CZ . TYR A 1 72 ? 8.153 24.440 -4.943 1.00 31.33 ? 764 TYR A CZ 1 \nATOM 505 O OH . TYR A 1 72 ? 6.926 23.819 -5.090 1.00 36.39 ? 764 TYR A OH 1 \nATOM 506 N N . VAL A 1 73 ? 13.308 24.953 -1.983 1.00 30.36 ? 765 VAL A N 1 \nATOM 507 C CA . VAL A 1 73 ? 13.338 23.790 -1.106 1.00 30.00 ? 765 VAL A CA 1 \nATOM 508 C C . VAL A 1 73 ? 13.144 24.241 0.339 1.00 28.48 ? 765 VAL A C 1 \nATOM 509 O O . VAL A 1 73 ? 12.510 23.540 1.135 1.00 28.46 ? 765 VAL A O 1 \nATOM 510 C CB . VAL A 1 73 ? 14.661 22.982 -1.249 1.00 34.35 ? 765 VAL A CB 1 \nATOM 511 C CG1 . VAL A 1 73 ? 14.648 21.743 -0.361 1.00 37.76 ? 765 VAL A CG1 1 \nATOM 512 C CG2 . VAL A 1 73 ? 14.898 22.599 -2.708 1.00 39.05 ? 765 VAL A CG2 1 \nATOM 513 N N . MET A 1 74 ? 13.685 25.407 0.687 1.00 26.60 ? 766 MET A N 1 \nATOM 514 C CA . MET A 1 74 ? 13.558 25.938 2.055 1.00 27.20 ? 766 MET A CA 1 \nATOM 515 C C . MET A 1 74 ? 12.106 26.365 2.345 1.00 32.09 ? 766 MET A C 1 \nATOM 516 O O . MET A 1 74 ? 11.637 26.292 3.487 1.00 34.54 ? 766 MET A O 1 \nATOM 517 C CB . MET A 1 74 ? 14.561 27.094 2.308 1.00 31.52 ? 766 MET A CB 1 \nATOM 518 C CG . MET A 1 74 ? 16.040 26.737 2.138 1.00 36.39 ? 766 MET A CG 1 \nATOM 519 S SD . MET A 1 74 ? 16.954 28.289 1.995 1.00 35.31 ? 766 MET A SD 1 \nATOM 520 C CE . MET A 1 74 ? 18.693 27.772 1.971 1.00 29.41 ? 766 MET A CE 1 \nATOM 521 N N . ALA A 1 75 ? 11.388 26.768 1.304 1.00 25.55 ? 767 ALA A N 1 \nATOM 522 C CA . ALA A 1 75 ? 9.955 27.147 1.461 1.00 28.35 ? 767 ALA A CA 1 \nATOM 523 C C . ALA A 1 75 ? 8.996 25.957 1.419 1.00 30.50 ? 767 ALA A C 1 \nATOM 524 O O . ALA A 1 75 ? 7.810 26.051 1.829 1.00 35.24 ? 767 ALA A O 1 \nATOM 525 C CB . ALA A 1 75 ? 9.587 28.141 0.385 1.00 27.82 ? 767 ALA A CB 1 \nATOM 526 N N . SER A 1 76 ? 9.486 24.841 0.921 1.00 33.39 ? 768 SER A N 1 \nATOM 527 C CA . SER A 1 76 ? 8.674 23.650 0.666 1.00 36.62 ? 768 SER A CA 1 \nATOM 528 C C . SER A 1 76 ? 8.537 22.757 1.916 1.00 35.31 ? 768 SER A C 1 \nATOM 529 O O . SER A 1 76 ? 7.706 21.837 1.944 1.00 41.31 ? 768 SER A O 1 \nATOM 530 C CB . SER A 1 76 ? 9.315 22.842 -0.478 1.00 30.34 ? 768 SER A CB 1 \nATOM 531 O OG . SER A 1 76 ? 10.337 22.007 0.056 1.00 43.37 ? 768 SER A OG 1 \nATOM 532 N N . VAL A 1 77 ? 9.337 23.017 2.949 1.00 29.89 ? 769 VAL A N 1 \nATOM 533 C CA . VAL A 1 77 ? 9.346 22.117 4.112 1.00 31.80 ? 769 VAL A CA 1 \nATOM 534 C C . VAL A 1 77 ? 8.076 22.226 4.967 1.00 35.73 ? 769 VAL A C 1 \nATOM 535 O O . VAL A 1 77 ? 7.587 23.322 5.240 1.00 40.87 ? 769 VAL A O 1 \nATOM 536 C CB . VAL A 1 77 ? 10.608 22.267 4.970 1.00 36.09 ? 769 VAL A CB 1 \nATOM 537 C CG1 . VAL A 1 77 ? 11.840 21.931 4.144 1.00 34.12 ? 769 VAL A CG1 1 \nATOM 538 C CG2 . VAL A 1 77 ? 10.721 23.677 5.517 1.00 42.89 ? 769 VAL A CG2 1 \nATOM 539 N N . ASP A 1 78 ? 7.546 21.080 5.369 1.00 31.99 ? 770 ASP A N 1 \nATOM 540 C CA . ASP A 1 78 ? 6.279 21.036 6.088 1.00 39.53 ? 770 ASP A CA 1 \nATOM 541 C C . ASP A 1 78 ? 6.391 20.001 7.188 1.00 32.29 ? 770 ASP A C 1 \nATOM 542 O O . ASP A 1 78 ? 6.093 18.820 6.974 1.00 33.73 ? 770 ASP A O 1 \nATOM 543 C CB . ASP A 1 78 ? 5.126 20.706 5.120 1.00 36.58 ? 770 ASP A CB 1 \nATOM 544 C CG . ASP A 1 78 ? 3.755 20.745 5.793 1.00 41.55 ? 770 ASP A CG 1 \nATOM 545 O OD1 . ASP A 1 78 ? 3.591 21.464 6.803 1.00 41.43 ? 770 ASP A OD1 1 \nATOM 546 O OD2 . ASP A 1 78 ? 2.839 20.055 5.297 1.00 61.49 ? 770 ASP A OD2 1 \nATOM 547 N N . ASN A 1 79 ? 6.841 20.458 8.358 1.00 27.92 ? 771 ASN A N 1 \nATOM 548 C CA . ASN A 1 79 ? 7.056 19.600 9.515 1.00 28.79 ? 771 ASN A CA 1 \nATOM 549 C C . ASN A 1 79 ? 7.004 20.473 10.767 1.00 28.51 ? 771 ASN A C 1 \nATOM 550 O O . ASN A 1 79 ? 7.492 21.615 10.753 1.00 32.33 ? 771 ASN A O 1 \nATOM 551 C CB . ASN A 1 79 ? 8.427 18.877 9.404 1.00 31.63 ? 771 ASN A CB 1 \nATOM 552 C CG . ASN A 1 79 ? 8.711 17.968 10.593 1.00 32.66 ? 771 ASN A CG 1 \nATOM 553 O OD1 . ASN A 1 79 ? 9.198 18.412 11.634 1.00 32.35 ? 771 ASN A OD1 1 \nATOM 554 N ND2 . ASN A 1 79 ? 8.412 16.685 10.439 1.00 31.99 ? 771 ASN A ND2 1 \nATOM 555 N N . PRO A 1 80 ? 6.419 19.947 11.868 1.00 36.96 ? 772 PRO A N 1 \nATOM 556 C CA . PRO A 1 80 ? 6.237 20.746 13.090 1.00 37.28 ? 772 PRO A CA 1 \nATOM 557 C C . PRO A 1 80 ? 7.540 21.226 13.729 1.00 33.19 ? 772 PRO A C 1 \nATOM 558 O O . PRO A 1 80 ? 7.524 22.216 14.470 1.00 30.61 ? 772 PRO A O 1 \nATOM 559 C CB . PRO A 1 80 ? 5.540 19.773 14.045 1.00 44.95 ? 772 PRO A CB 1 \nATOM 560 C CG . PRO A 1 80 ? 4.862 18.792 13.164 1.00 49.09 ? 772 PRO A CG 1 \nATOM 561 C CD . PRO A 1 80 ? 5.749 18.635 11.972 1.00 36.80 ? 772 PRO A CD 1 \nATOM 562 N N . HIS A 1 81 ? 8.647 20.524 13.463 1.00 32.01 ? 773 HIS A N 1 \nATOM 563 C CA . HIS A 1 81 ? 9.923 20.890 14.095 1.00 32.30 ? 773 HIS A CA 1 \nATOM 564 C C . HIS A 1 81 ? 10.938 21.522 13.140 1.00 29.91 ? 773 HIS A C 1 \nATOM 565 O O . HIS A 1 81 ? 12.141 21.581 13.433 1.00 31.48 ? 773 HIS A O 1 \nATOM 566 C CB . HIS A 1 81 ? 10.501 19.683 14.866 1.00 30.06 ? 773 HIS A CB 1 \nATOM 567 C CG . HIS A 1 81 ? 9.481 19.002 15.740 1.00 38.50 ? 773 HIS A CG 1 \nATOM 568 N ND1 . HIS A 1 81 ? 8.923 19.607 16.850 1.00 35.97 ? 773 HIS A ND1 1 \nATOM 569 C CD2 . HIS A 1 81 ? 8.862 17.803 15.617 1.00 43.44 ? 773 HIS A CD2 1 \nATOM 570 C CE1 . HIS A 1 81 ? 8.045 18.787 17.401 1.00 35.79 ? 773 HIS A CE1 1 \nATOM 571 N NE2 . HIS A 1 81 ? 7.979 17.690 16.666 1.00 33.01 ? 773 HIS A NE2 1 \nATOM 572 N N . VAL A 1 82 ? 10.444 22.029 12.011 1.00 32.42 ? 774 VAL A N 1 \nATOM 573 C CA . VAL A 1 82 ? 11.292 22.713 11.029 1.00 31.78 ? 774 VAL A CA 1 \nATOM 574 C C . VAL A 1 82 ? 10.590 24.023 10.638 1.00 31.70 ? 774 VAL A C 1 \nATOM 575 O O . VAL A 1 82 ? 9.410 24.021 10.272 1.00 33.83 ? 774 VAL A O 1 \nATOM 576 C CB . VAL A 1 82 ? 11.562 21.858 9.757 1.00 37.83 ? 774 VAL A CB 1 \nATOM 577 C CG1 . VAL A 1 82 ? 12.584 22.547 8.868 1.00 28.77 ? 774 VAL A CG1 1 \nATOM 578 C CG2 . VAL A 1 82 ? 12.050 20.442 10.095 1.00 34.53 ? 774 VAL A CG2 1 \nATOM 579 N N . CYS A 1 83 ? 11.299 25.132 10.784 1.00 31.06 ? 775 CYS A N 1 \nATOM 580 C CA . CYS A 1 83 ? 10.867 26.411 10.246 1.00 32.97 ? 775 CYS A CA 1 \nATOM 581 C C . CYS A 1 83 ? 10.813 26.400 8.725 1.00 31.14 ? 775 CYS A C 1 \nATOM 582 O O . CYS A 1 83 ? 11.570 25.660 8.057 1.00 35.80 ? 775 CYS A O 1 \nATOM 583 C CB . CYS A 1 83 ? 11.836 27.504 10.707 1.00 29.32 ? 775 CYS A CB 1 \nATOM 584 S SG . CYS A 1 83 ? 11.781 27.780 12.482 1.00 36.31 ? 775 CYS A SG 1 \nATOM 585 N N . ARG A 1 84 ? 9.959 27.240 8.152 1.00 27.88 ? 776 ARG A N 1 \nATOM 586 C CA . ARG A 1 84 ? 9.926 27.322 6.704 1.00 26.20 ? 776 ARG A CA 1 \nATOM 587 C C . ARG A 1 84 ? 10.059 28.744 6.212 1.00 25.09 ? 776 ARG A C 1 \nATOM 588 O O . ARG A 1 84 ? 9.700 29.688 6.895 1.00 28.55 ? 776 ARG A O 1 \nATOM 589 C CB . ARG A 1 84 ? 8.682 26.632 6.126 1.00 36.86 ? 776 ARG A CB 1 \nATOM 590 C CG . ARG A 1 84 ? 7.473 27.513 6.073 1.00 39.62 ? 776 ARG A CG 1 \nATOM 591 C CD . ARG A 1 84 ? 6.435 26.936 5.109 1.00 54.28 ? 776 ARG A CD 1 \nATOM 592 N NE . ARG A 1 84 ? 5.496 27.982 4.720 1.00 51.59 ? 776 ARG A NE 1 \nATOM 593 C CZ . ARG A 1 84 ? 5.521 28.662 3.573 1.00 56.49 ? 776 ARG A CZ 1 \nATOM 594 N NH1 . ARG A 1 84 ? 6.423 28.405 2.636 1.00 45.85 ? 776 ARG A NH1 1 \nATOM 595 N NH2 . ARG A 1 84 ? 4.607 29.596 3.351 1.00 62.64 ? 776 ARG A NH2 1 \nATOM 596 N N . LEU A 1 85 ? 10.660 28.874 5.042 1.00 32.82 ? 777 LEU A N 1 \nATOM 597 C CA . LEU A 1 85 ? 10.839 30.155 4.397 1.00 39.54 ? 777 LEU A CA 1 \nATOM 598 C C . LEU A 1 85 ? 9.481 30.608 3.865 1.00 41.12 ? 777 LEU A C 1 \nATOM 599 O O . LEU A 1 85 ? 8.752 29.829 3.249 1.00 36.46 ? 777 LEU A O 1 \nATOM 600 C CB . LEU A 1 85 ? 11.873 30.008 3.284 1.00 37.75 ? 777 LEU A CB 1 \nATOM 601 C CG . LEU A 1 85 ? 12.599 31.245 2.783 1.00 41.91 ? 777 LEU A CG 1 \nATOM 602 C CD1 . LEU A 1 85 ? 13.269 31.938 3.962 1.00 35.23 ? 777 LEU A CD1 1 \nATOM 603 C CD2 . LEU A 1 85 ? 13.619 30.839 1.737 1.00 39.23 ? 777 LEU A CD2 1 \nATOM 604 N N . LEU A 1 86 ? 9.106 31.841 4.179 1.00 35.56 ? 778 LEU A N 1 \nATOM 605 C CA . LEU A 1 86 ? 7.850 32.407 3.671 1.00 37.08 ? 778 LEU A CA 1 \nATOM 606 C C . LEU A 1 86 ? 8.067 33.176 2.372 1.00 39.75 ? 778 LEU A C 1 \nATOM 607 O O . LEU A 1 86 ? 7.184 33.229 1.510 1.00 45.05 ? 778 LEU A O 1 \nATOM 608 C CB . LEU A 1 86 ? 7.251 33.354 4.706 1.00 33.02 ? 778 LEU A CB 1 \nATOM 609 C CG . LEU A 1 86 ? 6.736 32.791 6.028 1.00 43.06 ? 778 LEU A CG 1 \nATOM 610 C CD1 . LEU A 1 86 ? 6.379 33.930 6.967 1.00 41.81 ? 778 LEU A CD1 1 \nATOM 611 C CD2 . LEU A 1 86 ? 5.533 31.872 5.829 1.00 55.69 ? 778 LEU A CD2 1 \nATOM 612 N N . GLY A 1 87 ? 9.235 33.799 2.246 1.00 38.68 ? 779 GLY A N 1 \nATOM 613 C CA . GLY A 1 87 ? 9.483 34.706 1.147 1.00 38.09 ? 779 GLY A CA 1 \nATOM 614 C C . GLY A 1 87 ? 10.944 35.031 0.929 1.00 34.62 ? 779 GLY A C 1 \nATOM 615 O O . GLY A 1 87 ? 11.816 34.682 1.729 1.00 34.55 ? 779 GLY A O 1 \nATOM 616 N N . ILE A 1 88 ? 11.206 35.696 -0.181 1.00 36.47 ? 780 ILE A N 1 \nATOM 617 C CA . ILE A 1 88 ? 12.549 36.078 -0.537 1.00 32.86 ? 780 ILE A CA 1 \nATOM 618 C C . ILE A 1 88 ? 12.467 37.364 -1.342 1.00 37.56 ? 780 ILE A C 1 \nATOM 619 O O . ILE A 1 88 ? 11.461 37.641 -2.019 1.00 35.89 ? 780 ILE A O 1 \nATOM 620 C CB . ILE A 1 88 ? 13.271 34.933 -1.305 1.00 36.74 ? 780 ILE A CB 1 \nATOM 621 C CG1 . ILE A 1 88 ? 14.757 35.226 -1.508 1.00 37.01 ? 780 ILE A CG1 1 \nATOM 622 C CG2 . ILE A 1 88 ? 12.566 34.586 -2.612 1.00 39.84 ? 780 ILE A CG2 1 \nATOM 623 C CD1 . ILE A 1 88 ? 15.542 34.015 -1.981 1.00 41.12 ? 780 ILE A CD1 1 \nATOM 624 N N . CYS A 1 89 ? 13.504 38.179 -1.218 1.00 34.22 ? 781 CYS A N 1 \nATOM 625 C CA . CYS A 1 89 ? 13.584 39.409 -1.968 1.00 39.58 ? 781 CYS A CA 1 \nATOM 626 C C . CYS A 1 89 ? 15.008 39.513 -2.476 1.00 42.52 ? 781 CYS A C 1 \nATOM 627 O O . CYS A 1 89 ? 15.968 39.597 -1.696 1.00 42.31 ? 781 CYS A O 1 \nATOM 628 C CB . CYS A 1 89 ? 13.209 40.593 -1.091 1.00 42.05 ? 781 CYS A CB 1 \nATOM 629 S SG . CYS A 1 89 ? 13.340 42.208 -1.900 1.00 52.46 ? 781 CYS A SG 1 \nATOM 630 N N . LEU A 1 90 ? 15.137 39.460 -3.794 1.00 40.33 ? 782 LEU A N 1 \nATOM 631 C CA . LEU A 1 90 ? 16.427 39.615 -4.427 1.00 52.46 ? 782 LEU A CA 1 \nATOM 632 C C . LEU A 1 90 ? 16.577 41.062 -4.912 1.00 57.91 ? 782 LEU A C 1 \nATOM 633 O O . LEU A 1 90 ? 15.686 41.607 -5.575 1.00 53.42 ? 782 LEU A O 1 \nATOM 634 C CB . LEU A 1 90 ? 16.593 38.602 -5.561 1.00 46.81 ? 782 LEU A CB 1 \nATOM 635 C CG . LEU A 1 90 ? 16.440 37.118 -5.193 1.00 50.02 ? 782 LEU A CG 1 \nATOM 636 C CD1 . LEU A 1 90 ? 16.409 36.255 -6.440 1.00 58.30 ? 782 LEU A CD1 1 \nATOM 637 C CD2 . LEU A 1 90 ? 17.535 36.643 -4.245 1.00 47.01 ? 782 LEU A CD2 1 \nATOM 638 N N . THR A 1 91 ? 17.681 41.688 -4.513 1.00 57.02 ? 783 THR A N 1 \nATOM 639 C CA . THR A 1 91 ? 18.058 43.033 -4.953 1.00 57.87 ? 783 THR A CA 1 \nATOM 640 C C . THR A 1 91 ? 19.559 42.976 -5.243 1.00 56.07 ? 783 THR A C 1 \nATOM 641 O O . THR A 1 91 ? 20.020 42.064 -5.932 1.00 68.18 ? 783 THR A O 1 \nATOM 642 C CB . THR A 1 91 ? 17.787 44.109 -3.877 1.00 57.17 ? 783 THR A CB 1 \nATOM 643 O OG1 . THR A 1 91 ? 18.534 43.803 -2.690 1.00 63.32 ? 783 THR A OG1 1 \nATOM 644 C CG2 . THR A 1 91 ? 16.297 44.223 -3.544 1.00 60.21 ? 783 THR A CG2 1 \nATOM 645 N N . SER A 1 92 ? 20.317 43.931 -4.705 1.00 61.57 ? 784 SER A N 1 \nATOM 646 C CA . SER A 1 92 ? 21.778 43.830 -4.658 1.00 62.64 ? 784 SER A CA 1 \nATOM 647 C C . SER A 1 92 ? 22.205 42.824 -3.584 1.00 66.71 ? 784 SER A C 1 \nATOM 648 O O . SER A 1 92 ? 23.330 42.310 -3.611 1.00 73.57 ? 784 SER A O 1 \nATOM 649 C CB . SER A 1 92 ? 22.413 45.198 -4.391 1.00 65.94 ? 784 SER A CB 1 \nATOM 650 O OG . SER A 1 92 ? 21.881 45.793 -3.219 1.00 77.36 ? 784 SER A OG 1 \nATOM 651 N N . THR A 1 93 ? 21.296 42.553 -2.644 1.00 56.80 ? 785 THR A N 1 \nATOM 652 C CA . THR A 1 93 ? 21.494 41.540 -1.602 1.00 50.80 ? 785 THR A CA 1 \nATOM 653 C C . THR A 1 93 ? 20.393 40.478 -1.669 1.00 48.30 ? 785 THR A C 1 \nATOM 654 O O . THR A 1 93 ? 19.331 40.704 -2.264 1.00 47.91 ? 785 THR A O 1 \nATOM 655 C CB . THR A 1 93 ? 21.428 42.150 -0.184 1.00 51.80 ? 785 THR A CB 1 \nATOM 656 O OG1 . THR A 1 93 ? 20.089 42.598 0.080 1.00 49.48 ? 785 THR A OG1 1 \nATOM 657 C CG2 . THR A 1 93 ? 22.410 43.311 -0.027 1.00 59.94 ? 785 THR A CG2 1 \nATOM 658 N N . VAL A 1 94 ? 20.645 39.332 -1.039 1.00 46.00 ? 786 VAL A N 1 \nATOM 659 C CA . VAL A 1 94 ? 19.597 38.329 -0.826 1.00 38.67 ? 786 VAL A CA 1 \nATOM 660 C C . VAL A 1 94 ? 18.979 38.517 0.553 1.00 36.32 ? 786 VAL A C 1 \nATOM 661 O O . VAL A 1 94 ? 19.693 38.530 1.546 1.00 39.63 ? 786 VAL A O 1 \nATOM 662 C CB . VAL A 1 94 ? 20.142 36.898 -0.953 1.00 38.01 ? 786 VAL A CB 1 \nATOM 663 C CG1 . VAL A 1 94 ? 19.031 35.871 -0.729 1.00 48.90 ? 786 VAL A CG1 1 \nATOM 664 C CG2 . VAL A 1 94 ? 20.782 36.700 -2.320 1.00 48.03 ? 786 VAL A CG2 1 \nATOM 665 N N . GLN A 1 95 ? 17.653 38.626 0.610 1.00 36.69 ? 787 GLN A N 1 \nATOM 666 C CA . GLN A 1 95 ? 16.944 38.695 1.883 1.00 35.65 ? 787 GLN A CA 1 \nATOM 667 C C . GLN A 1 95 ? 15.909 37.581 2.032 1.00 39.78 ? 787 GLN A C 1 \nATOM 668 O O . GLN A 1 95 ? 15.052 37.404 1.156 1.00 35.85 ? 787 GLN A O 1 \nATOM 669 C CB . GLN A 1 95 ? 16.259 40.049 2.058 1.00 38.83 ? 787 GLN A CB 1 \nATOM 670 C CG . GLN A 1 95 ? 17.235 41.187 2.339 1.00 38.72 ? 787 GLN A CG 1 \nATOM 671 C CD . GLN A 1 95 ? 16.536 42.518 2.516 1.00 42.16 ? 787 GLN A CD 1 \nATOM 672 O OE1 . GLN A 1 95 ? 16.253 42.927 3.638 1.00 41.78 ? 787 GLN A OE1 1 \nATOM 673 N NE2 . GLN A 1 95 ? 16.248 43.197 1.412 1.00 43.91 ? 787 GLN A NE2 1 \nATOM 674 N N . LEU A 1 96 ? 15.995 36.856 3.148 1.00 33.94 ? 788 LEU A N 1 \nATOM 675 C CA . LEU A 1 96 ? 15.086 35.737 3.441 1.00 35.29 ? 788 LEU A CA 1 \nATOM 676 C C . LEU A 1 96 ? 14.084 36.113 4.506 1.00 30.71 ? 788 LEU A C 1 \nATOM 677 O O . LEU A 1 96 ? 14.427 36.716 5.524 1.00 32.86 ? 788 LEU A O 1 \nATOM 678 C CB . LEU A 1 96 ? 15.887 34.523 3.909 1.00 32.95 ? 788 LEU A CB 1 \nATOM 679 C CG . LEU A 1 96 ? 17.028 34.042 3.026 1.00 35.16 ? 788 LEU A CG 1 \nATOM 680 C CD1 . LEU A 1 96 ? 17.745 32.897 3.724 1.00 34.86 ? 788 LEU A CD1 1 \nATOM 681 C CD2 . LEU A 1 96 ? 16.502 33.617 1.664 1.00 37.74 ? 788 LEU A CD2 1 \nATOM 682 N N . ILE A 1 97 ? 12.820 35.776 4.290 1.00 30.64 ? 789 ILE A N 1 \nATOM 683 C CA . ILE A 1 97 ? 11.799 36.205 5.231 1.00 28.88 ? 789 ILE A CA 1 \nATOM 684 C C . ILE A 1 97 ? 11.097 34.984 5.799 1.00 25.85 ? 789 ILE A C 1 \nATOM 685 O O . ILE A 1 97 ? 10.735 34.081 5.056 1.00 33.02 ? 789 ILE A O 1 \nATOM 686 C CB . ILE A 1 97 ? 10.799 37.178 4.563 1.00 34.04 ? 789 ILE A CB 1 \nATOM 687 C CG1 . ILE A 1 97 ? 11.507 38.480 4.147 1.00 37.69 ? 789 ILE A CG1 1 \nATOM 688 C CG2 . ILE A 1 97 ? 9.617 37.488 5.479 1.00 35.36 ? 789 ILE A CG2 1 \nATOM 689 C CD1 . ILE A 1 97 ? 12.058 38.438 2.739 1.00 38.70 ? 789 ILE A CD1 1 \nATOM 690 N N . THR A 1 98 ? 10.936 34.964 7.116 1.00 25.06 ? 790 THR A N 1 \nATOM 691 C CA . THR A 1 98 ? 10.342 33.827 7.816 1.00 27.17 ? 790 THR A CA 1 \nATOM 692 C C . THR A 1 98 ? 9.494 34.315 8.999 1.00 29.00 ? 790 THR A C 1 \nATOM 693 O O . THR A 1 98 ? 9.635 35.461 9.477 1.00 29.51 ? 790 THR A O 1 \nATOM 694 C CB . THR A 1 98 ? 11.412 32.818 8.305 1.00 30.02 ? 790 THR A CB 1 \nATOM 695 O OG1 . THR A 1 98 ? 10.789 31.611 8.765 1.00 34.01 ? 790 THR A OG1 1 \nATOM 696 C CG2 . THR A 1 98 ? 12.237 33.433 9.444 1.00 31.21 ? 790 THR A CG2 1 \nATOM 697 N N . GLN A 1 99 ? 8.618 33.441 9.488 1.00 30.66 ? 791 GLN A N 1 \nATOM 698 C CA . GLN A 1 99 ? 7.785 33.807 10.630 1.00 36.46 ? 791 GLN A CA 1 \nATOM 699 C C . GLN A 1 99 ? 8.674 34.148 11.824 1.00 34.02 ? 791 GLN A C 1 \nATOM 700 O O . GLN A 1 99 ? 9.592 33.396 12.152 1.00 33.64 ? 791 GLN A O 1 \nATOM 701 C CB . GLN A 1 99 ? 6.819 32.678 10.987 1.00 35.09 ? 791 GLN A CB 1 \nATOM 702 C CG . GLN A 1 99 ? 5.969 32.941 12.226 1.00 43.19 ? 791 GLN A CG 1 \nATOM 703 C CD . GLN A 1 99 ? 5.029 31.789 12.571 1.00 55.79 ? 791 GLN A CD 1 \nATOM 704 O OE1 . GLN A 1 99 ? 5.093 30.712 11.975 1.00 52.44 ? 791 GLN A OE1 1 \nATOM 705 N NE2 . GLN A 1 99 ? 4.162 32.011 13.552 1.00 61.70 ? 791 GLN A NE2 1 \nATOM 706 N N . LEU A 1 100 ? 8.411 35.287 12.464 1.00 31.17 ? 792 LEU A N 1 \nATOM 707 C CA . LEU A 1 100 ? 9.174 35.661 13.656 1.00 33.99 ? 792 LEU A CA 1 \nATOM 708 C C . LEU A 1 100 ? 8.850 34.728 14.811 1.00 43.25 ? 792 LEU A C 1 \nATOM 709 O O . LEU A 1 100 ? 7.684 34.452 15.080 1.00 34.41 ? 792 LEU A O 1 \nATOM 710 C CB . LEU A 1 100 ? 8.922 37.111 14.075 1.00 29.38 ? 792 LEU A CB 1 \nATOM 711 C CG . LEU A 1 100 ? 9.671 37.595 15.317 1.00 33.72 ? 792 LEU A CG 1 \nATOM 712 C CD1 . LEU A 1 100 ? 11.186 37.568 15.018 1.00 31.79 ? 792 LEU A CD1 1 \nATOM 713 C CD2 . LEU A 1 100 ? 9.205 38.962 15.810 1.00 33.47 ? 792 LEU A CD2 1 \nATOM 714 N N . MET A 1 101 ? 9.888 34.228 15.477 1.00 34.59 ? 793 MET A N 1 \nATOM 715 C CA . MET A 1 101 ? 9.710 33.390 16.667 1.00 38.57 ? 793 MET A CA 1 \nATOM 716 C C . MET A 1 101 ? 10.133 34.232 17.866 1.00 35.33 ? 793 MET A C 1 \nATOM 717 O O . MET A 1 101 ? 11.318 34.339 18.163 1.00 31.81 ? 793 MET A O 1 \nATOM 718 C CB . MET A 1 101 ? 10.542 32.098 16.609 1.00 31.33 ? 793 MET A CB 1 \nATOM 719 C CG . MET A 1 101 ? 10.279 31.184 15.428 1.00 47.71 ? 793 MET A CG 1 \nATOM 720 S SD . MET A 1 101 ? 8.821 30.169 15.693 1.00 56.46 ? 793 MET A SD 1 \nATOM 721 C CE . MET A 1 101 ? 7.733 30.916 14.499 1.00 48.95 ? 793 MET A CE 1 \nATOM 722 N N . PRO A 1 102 ? 9.162 34.859 18.553 1.00 35.55 ? 794 PRO A N 1 \nATOM 723 C CA . PRO A 1 102 ? 9.545 35.860 19.543 1.00 30.76 ? 794 PRO A CA 1 \nATOM 724 C C . PRO A 1 102 ? 9.986 35.307 20.884 1.00 28.26 ? 794 PRO A C 1 \nATOM 725 O O . PRO A 1 102 ? 10.447 36.072 21.701 1.00 34.35 ? 794 PRO A O 1 \nATOM 726 C CB . PRO A 1 102 ? 8.248 36.694 19.710 1.00 42.71 ? 794 PRO A CB 1 \nATOM 727 C CG . PRO A 1 102 ? 7.172 35.699 19.470 1.00 43.64 ? 794 PRO A CG 1 \nATOM 728 C CD . PRO A 1 102 ? 7.693 34.780 18.392 1.00 44.18 ? 794 PRO A CD 1 \nATOM 729 N N . PHE A 1 103 ? 9.891 33.990 21.115 1.00 29.98 ? 795 PHE A N 1 \nATOM 730 C CA . PHE A 1 103 ? 10.526 33.422 22.310 1.00 33.66 ? 795 PHE A CA 1 \nATOM 731 C C . PHE A 1 103 ? 12.029 33.222 22.148 1.00 31.23 ? 795 PHE A C 1 \nATOM 732 O O . PHE A 1 103 ? 12.724 32.956 23.132 1.00 37.68 ? 795 PHE A O 1 \nATOM 733 C CB . PHE A 1 103 ? 9.840 32.132 22.793 1.00 39.00 ? 795 PHE A CB 1 \nATOM 734 C CG . PHE A 1 103 ? 8.409 32.336 23.205 1.00 47.26 ? 795 PHE A CG 1 \nATOM 735 C CD1 . PHE A 1 103 ? 7.408 31.504 22.721 1.00 53.18 ? 795 PHE A CD1 1 \nATOM 736 C CD2 . PHE A 1 103 ? 8.058 33.381 24.059 1.00 58.22 ? 795 PHE A CD2 1 \nATOM 737 C CE1 . PHE A 1 103 ? 6.080 31.702 23.090 1.00 72.79 ? 795 PHE A CE1 1 \nATOM 738 C CE2 . PHE A 1 103 ? 6.734 33.585 24.431 1.00 64.24 ? 795 PHE A CE2 1 \nATOM 739 C CZ . PHE A 1 103 ? 5.742 32.745 23.944 1.00 67.83 ? 795 PHE A CZ 1 \nATOM 740 N N . GLY A 1 104 ? 12.521 33.370 20.915 1.00 32.03 ? 796 GLY A N 1 \nATOM 741 C CA . GLY A 1 104 ? 13.979 33.388 20.629 1.00 34.05 ? 796 GLY A CA 1 \nATOM 742 C C . GLY A 1 104 ? 14.608 32.018 20.441 1.00 33.43 ? 796 GLY A C 1 \nATOM 743 O O . GLY A 1 104 ? 13.889 31.009 20.242 1.00 31.30 ? 796 GLY A O 1 \nATOM 744 N N . CYS A 1 105 ? 15.943 31.954 20.486 1.00 30.57 ? 797 CYS A N 1 \nATOM 745 C CA . CYS A 1 105 ? 16.586 30.652 20.281 1.00 29.37 ? 797 CYS A CA 1 \nATOM 746 C C . CYS A 1 105 ? 16.668 29.805 21.550 1.00 30.71 ? 797 CYS A C 1 \nATOM 747 O O . CYS A 1 105 ? 16.623 30.314 22.695 1.00 30.01 ? 797 CYS A O 1 \nATOM 748 C CB . CYS A 1 105 ? 17.978 30.814 19.648 1.00 43.11 ? 797 CYS A CB 1 \nATOM 749 S SG . CYS A 1 105 ? 19.123 31.656 20.730 1.00 58.13 ? 797 CYS A SG 1 \nATOM 750 N N . LEU A 1 106 ? 16.791 28.495 21.342 1.00 35.30 ? 798 LEU A N 1 \nATOM 751 C CA . LEU A 1 106 ? 16.874 27.549 22.445 1.00 34.49 ? 798 LEU A CA 1 \nATOM 752 C C . LEU A 1 106 ? 18.173 27.763 23.222 1.00 29.27 ? 798 LEU A C 1 \nATOM 753 O O . LEU A 1 106 ? 18.205 27.541 24.431 1.00 31.95 ? 798 LEU A O 1 \nATOM 754 C CB . LEU A 1 106 ? 16.769 26.092 21.946 1.00 28.13 ? 798 LEU A CB 1 \nATOM 755 C CG . LEU A 1 106 ? 16.579 25.005 23.020 1.00 30.34 ? 798 LEU A CG 1 \nATOM 756 C CD1 . LEU A 1 106 ? 15.398 25.294 23.961 1.00 34.84 ? 798 LEU A CD1 1 \nATOM 757 C CD2 . LEU A 1 106 ? 16.357 23.627 22.364 1.00 29.21 ? 798 LEU A CD2 1 \nATOM 758 N N . LEU A 1 107 ? 19.221 28.218 22.540 1.00 31.78 ? 799 LEU A N 1 \nATOM 759 C CA . LEU A 1 107 ? 20.484 28.489 23.226 1.00 30.68 ? 799 LEU A CA 1 \nATOM 760 C C . LEU A 1 107 ? 20.288 29.581 24.284 1.00 32.64 ? 799 LEU A C 1 \nATOM 761 O O . LEU A 1 107 ? 20.748 29.461 25.421 1.00 31.25 ? 799 LEU A O 1 \nATOM 762 C CB . LEU A 1 107 ? 21.592 28.875 22.230 1.00 32.88 ? 799 LEU A CB 1 \nATOM 763 C CG . LEU A 1 107 ? 22.929 29.276 22.874 1.00 31.32 ? 799 LEU A CG 1 \nATOM 764 C CD1 . LEU A 1 107 ? 23.518 28.108 23.667 1.00 36.85 ? 799 LEU A CD1 1 \nATOM 765 C CD2 . LEU A 1 107 ? 23.967 29.769 21.868 1.00 36.94 ? 799 LEU A CD2 1 \nATOM 766 N N . ASP A 1 108 ? 19.583 30.643 23.912 1.00 32.68 ? 800 ASP A N 1 \nATOM 767 C CA . ASP A 1 108 ? 19.374 31.739 24.855 1.00 34.91 ? 800 ASP A CA 1 \nATOM 768 C C . ASP A 1 108 ? 18.443 31.291 25.942 1.00 31.79 ? 800 ASP A C 1 \nATOM 769 O O . ASP A 1 108 ? 18.597 31.688 27.095 1.00 32.60 ? 800 ASP A O 1 \nATOM 770 C CB . ASP A 1 108 ? 18.845 32.992 24.160 1.00 34.98 ? 800 ASP A CB 1 \nATOM 771 C CG . ASP A 1 108 ? 19.900 33.683 23.315 1.00 52.24 ? 800 ASP A CG 1 \nATOM 772 O OD1 . ASP A 1 108 ? 19.513 34.368 22.349 1.00 55.86 ? 800 ASP A OD1 1 \nATOM 773 O OD2 . ASP A 1 108 ? 21.114 33.544 23.610 1.00 50.16 ? 800 ASP A OD2 1 \nATOM 774 N N . TYR A 1 109 ? 17.485 30.434 25.575 1.00 32.99 ? 801 TYR A N 1 \nATOM 775 C CA . TYR A 1 109 ? 16.480 29.942 26.513 1.00 37.10 ? 801 TYR A CA 1 \nATOM 776 C C . TYR A 1 109 ? 17.077 29.074 27.614 1.00 36.24 ? 801 TYR A C 1 \nATOM 777 O O . TYR A 1 109 ? 16.769 29.274 28.794 1.00 36.20 ? 801 TYR A O 1 \nATOM 778 C CB . TYR A 1 109 ? 15.381 29.168 25.781 1.00 31.79 ? 801 TYR A CB 1 \nATOM 779 C CG . TYR A 1 109 ? 14.195 28.833 26.648 1.00 40.70 ? 801 TYR A CG 1 \nATOM 780 C CD1 . TYR A 1 109 ? 14.160 27.658 27.392 1.00 40.54 ? 801 TYR A CD1 1 \nATOM 781 C CD2 . TYR A 1 109 ? 13.087 29.703 26.717 1.00 40.28 ? 801 TYR A CD2 1 \nATOM 782 C CE1 . TYR A 1 109 ? 13.060 27.344 28.187 1.00 45.35 ? 801 TYR A CE1 1 \nATOM 783 C CE2 . TYR A 1 109 ? 11.985 29.402 27.512 1.00 47.53 ? 801 TYR A CE2 1 \nATOM 784 C CZ . TYR A 1 109 ? 11.979 28.223 28.241 1.00 48.21 ? 801 TYR A CZ 1 \nATOM 785 O OH . TYR A 1 109 ? 10.900 27.909 29.028 1.00 52.74 ? 801 TYR A OH 1 \nATOM 786 N N . VAL A 1 110 ? 17.945 28.132 27.248 1.00 34.38 ? 802 VAL A N 1 \nATOM 787 C CA . VAL A 1 110 ? 18.619 27.317 28.275 1.00 32.90 ? 802 VAL A CA 1 \nATOM 788 C C . VAL A 1 110 ? 19.560 28.099 29.203 1.00 35.29 ? 802 VAL A C 1 \nATOM 789 O O . VAL A 1 110 ? 19.650 27.794 30.384 1.00 36.18 ? 802 VAL A O 1 \nATOM 790 C CB . VAL A 1 110 ? 19.318 26.049 27.707 1.00 35.68 ? 802 VAL A CB 1 \nATOM 791 C CG1 . VAL A 1 110 ? 18.309 25.183 26.975 1.00 32.43 ? 802 VAL A CG1 1 \nATOM 792 C CG2 . VAL A 1 110 ? 20.491 26.388 26.799 1.00 30.24 ? 802 VAL A CG2 1 \nATOM 793 N N . ARG A 1 111 ? 20.273 29.077 28.652 1.00 35.21 ? 803 ARG A N 1 \nATOM 794 C CA . ARG A 1 111 ? 21.118 29.983 29.430 1.00 34.14 ? 803 ARG A CA 1 \nATOM 795 C C . ARG A 1 111 ? 20.283 30.806 30.422 1.00 34.89 ? 803 ARG A C 1 \nATOM 796 O O . ARG A 1 111 ? 20.659 30.943 31.581 1.00 36.87 ? 803 ARG A O 1 \nATOM 797 C CB . ARG A 1 111 ? 21.882 30.923 28.493 1.00 37.80 ? 803 ARG A CB 1 \nATOM 798 C CG . ARG A 1 111 ? 23.077 30.252 27.824 1.00 40.47 ? 803 ARG A CG 1 \nATOM 799 C CD . ARG A 1 111 ? 23.626 31.102 26.693 1.00 37.81 ? 803 ARG A CD 1 \nATOM 800 N NE . ARG A 1 111 ? 24.840 30.526 26.094 1.00 31.61 ? 803 ARG A NE 1 \nATOM 801 C CZ . ARG A 1 111 ? 25.558 31.121 25.144 1.00 42.39 ? 803 ARG A CZ 1 \nATOM 802 N NH1 . ARG A 1 111 ? 25.187 32.304 24.666 1.00 40.81 ? 803 ARG A NH1 1 \nATOM 803 N NH2 . ARG A 1 111 ? 26.647 30.541 24.660 1.00 37.03 ? 803 ARG A NH2 1 \nATOM 804 N N . GLU A 1 112 ? 19.133 31.303 29.973 1.00 38.72 ? 804 GLU A N 1 \nATOM 805 C CA . GLU A 1 112 ? 18.271 32.145 30.822 1.00 41.32 ? 804 GLU A CA 1 \nATOM 806 C C . GLU A 1 112 ? 17.514 31.355 31.902 1.00 49.15 ? 804 GLU A C 1 \nATOM 807 O O . GLU A 1 112 ? 17.378 31.812 33.048 1.00 42.48 ? 804 GLU A O 1 \nATOM 808 C CB . GLU A 1 112 ? 17.299 32.946 29.948 1.00 41.36 ? 804 GLU A CB 1 \nATOM 809 C CG . GLU A 1 112 ? 16.339 33.862 30.708 1.00 59.06 ? 804 GLU A CG 1 \nATOM 810 C CD . GLU A 1 112 ? 16.924 35.233 31.006 1.00 77.26 ? 804 GLU A CD 1 \nATOM 811 O OE1 . GLU A 1 112 ? 18.167 35.388 30.997 1.00 77.65 ? 804 GLU A OE1 1 \nATOM 812 O OE2 . GLU A 1 112 ? 16.130 36.168 31.246 1.00 98.71 ? 804 GLU A OE2 1 \nATOM 813 N N . HIS A 1 113 ? 17.039 30.166 31.541 1.00 38.93 ? 805 HIS A N 1 \nATOM 814 C CA . HIS A 1 113 ? 16.138 29.400 32.401 1.00 43.34 ? 805 HIS A CA 1 \nATOM 815 C C . HIS A 1 113 ? 16.748 28.177 33.068 1.00 43.35 ? 805 HIS A C 1 \nATOM 816 O O . HIS A 1 113 ? 16.020 27.342 33.600 1.00 51.79 ? 805 HIS A O 1 \nATOM 817 C CB . HIS A 1 113 ? 14.870 29.006 31.632 1.00 44.55 ? 805 HIS A CB 1 \nATOM 818 C CG . HIS A 1 113 ? 14.083 30.182 31.156 1.00 52.86 ? 805 HIS A CG 1 \nATOM 819 N ND1 . HIS A 1 113 ? 14.167 30.660 29.867 1.00 54.67 ? 805 HIS A ND1 1 \nATOM 820 C CD2 . HIS A 1 113 ? 13.232 31.007 31.809 1.00 55.38 ? 805 HIS A CD2 1 \nATOM 821 C CE1 . HIS A 1 113 ? 13.389 31.720 29.742 1.00 60.50 ? 805 HIS A CE1 1 \nATOM 822 N NE2 . HIS A 1 113 ? 12.809 31.950 30.905 1.00 62.29 ? 805 HIS A NE2 1 \nATOM 823 N N . LYS A 1 114 ? 18.074 28.090 33.066 1.00 44.74 ? 806 LYS A N 1 \nATOM 824 C CA . LYS A 1 114 ? 18.785 26.942 33.615 1.00 45.17 ? 806 LYS A CA 1 \nATOM 825 C C . LYS A 1 114 ? 18.172 26.384 34.918 1.00 56.68 ? 806 LYS A C 1 \nATOM 826 O O . LYS A 1 114 ? 17.865 25.192 35.011 1.00 53.97 ? 806 LYS A O 1 \nATOM 827 C CB . LYS A 1 114 ? 20.268 27.288 33.806 1.00 43.12 ? 806 LYS A CB 1 \nATOM 828 C CG . LYS A 1 114 ? 21.042 26.183 34.499 1.00 58.87 ? 806 LYS A CG 1 \nATOM 829 C CD . LYS A 1 114 ? 22.491 26.560 34.763 1.00 64.56 ? 806 LYS A CD 1 \nATOM 830 C CE . LYS A 1 114 ? 23.200 25.398 35.441 1.00 65.16 ? 806 LYS A CE 1 \nATOM 831 N NZ . LYS A 1 114 ? 24.382 25.844 36.218 1.00 60.36 ? 806 LYS A NZ 1 \nATOM 832 N N . ASP A 1 115 ? 17.965 27.256 35.904 1.00 53.18 ? 807 ASP A N 1 \nATOM 833 C CA . ASP A 1 115 ? 17.482 26.843 37.231 1.00 56.78 ? 807 ASP A CA 1 \nATOM 834 C C . ASP A 1 115 ? 16.028 26.323 37.271 1.00 63.01 ? 807 ASP A C 1 \nATOM 835 O O . ASP A 1 115 ? 15.553 25.851 38.313 1.00 56.81 ? 807 ASP A O 1 \nATOM 836 C CB . ASP A 1 115 ? 17.667 27.995 38.233 1.00 62.76 ? 807 ASP A CB 1 \nATOM 837 C CG . ASP A 1 115 ? 19.124 28.431 38.363 1.00 73.79 ? 807 ASP A CG 1 \nATOM 838 O OD1 . ASP A 1 115 ? 20.027 27.618 38.050 1.00 68.87 ? 807 ASP A OD1 1 \nATOM 839 O OD2 . ASP A 1 115 ? 19.366 29.586 38.782 1.00 75.03 ? 807 ASP A OD2 1 \nATOM 840 N N . ASN A 1 116 ? 15.330 26.396 36.142 1.00 45.89 ? 808 ASN A N 1 \nATOM 841 C CA . ASN A 1 116 ? 13.943 25.914 36.067 1.00 56.29 ? 808 ASN A CA 1 \nATOM 842 C C . ASN A 1 116 ? 13.695 24.837 35.025 1.00 52.02 ? 808 ASN A C 1 \nATOM 843 O O . ASN A 1 116 ? 12.554 24.400 34.845 1.00 49.29 ? 808 ASN A O 1 \nATOM 844 C CB . ASN A 1 116 ? 12.980 27.078 35.838 1.00 48.40 ? 808 ASN A CB 1 \nATOM 845 C CG . ASN A 1 116 ? 12.826 27.946 37.065 1.00 62.63 ? 808 ASN A CG 1 \nATOM 846 O OD1 . ASN A 1 116 ? 12.477 27.461 38.144 1.00 73.28 ? 808 ASN A OD1 1 \nATOM 847 N ND2 . ASN A 1 116 ? 13.085 29.238 36.909 1.00 61.06 ? 808 ASN A ND2 1 \nATOM 848 N N . ILE A 1 117 ? 14.753 24.416 34.339 1.00 48.57 ? 809 ILE A N 1 \nATOM 849 C CA . ILE A 1 117 ? 14.637 23.400 33.288 1.00 41.03 ? 809 ILE A CA 1 \nATOM 850 C C . ILE A 1 117 ? 14.874 21.999 33.849 1.00 45.86 ? 809 ILE A C 1 \nATOM 851 O O . ILE A 1 117 ? 15.958 21.694 34.351 1.00 41.10 ? 809 ILE A O 1 \nATOM 852 C CB . ILE A 1 117 ? 15.604 23.686 32.115 1.00 41.13 ? 809 ILE A CB 1 \nATOM 853 C CG1 . ILE A 1 117 ? 15.190 24.972 31.390 1.00 35.35 ? 809 ILE A CG1 1 \nATOM 854 C CG2 . ILE A 1 117 ? 15.645 22.510 31.144 1.00 38.57 ? 809 ILE A CG2 1 \nATOM 855 C CD1 . ILE A 1 117 ? 16.272 25.545 30.484 1.00 34.81 ? 809 ILE A CD1 1 \nATOM 856 N N . GLY A 1 118 ? 13.852 21.151 33.736 1.00 42.20 ? 810 GLY A N 1 \nATOM 857 C CA . GLY A 1 118 ? 13.925 19.761 34.180 1.00 45.43 ? 810 GLY A CA 1 \nATOM 858 C C . GLY A 1 118 ? 14.296 18.770 33.086 1.00 40.55 ? 810 GLY A C 1 \nATOM 859 O O . GLY A 1 118 ? 14.349 19.116 31.901 1.00 40.46 ? 810 GLY A O 1 \nATOM 860 N N . SER A 1 119 ? 14.534 17.525 33.485 1.00 36.70 ? 811 SER A N 1 \nATOM 861 C CA . SER A 1 119 ? 15.009 16.508 32.567 1.00 39.63 ? 811 SER A CA 1 \nATOM 862 C C . SER A 1 119 ? 14.044 16.236 31.431 1.00 40.65 ? 811 SER A C 1 \nATOM 863 O O . SER A 1 119 ? 14.482 15.944 30.322 1.00 35.55 ? 811 SER A O 1 \nATOM 864 C CB . SER A 1 119 ? 15.310 15.211 33.314 1.00 42.84 ? 811 SER A CB 1 \nATOM 865 O OG . SER A 1 119 ? 14.205 14.860 34.128 1.00 46.09 ? 811 SER A OG 1 \nATOM 866 N N . GLN A 1 120 ? 12.738 16.306 31.721 1.00 36.00 ? 812 GLN A N 1 \nATOM 867 C CA . GLN A 1 120 ? 11.706 16.021 30.737 1.00 37.19 ? 812 GLN A CA 1 \nATOM 868 C C . GLN A 1 120 ? 11.785 16.967 29.549 1.00 36.52 ? 812 GLN A C 1 \nATOM 869 O O . GLN A 1 120 ? 11.662 16.540 28.397 1.00 33.95 ? 812 GLN A O 1 \nATOM 870 C CB . GLN A 1 120 ? 10.313 16.118 31.379 1.00 42.80 ? 812 GLN A CB 1 \nATOM 871 C CG . GLN A 1 120 ? 9.171 15.675 30.473 1.00 41.78 ? 812 GLN A CG 1 \nATOM 872 C CD . GLN A 1 120 ? 9.182 14.179 30.210 1.00 46.95 ? 812 GLN A CD 1 \nATOM 873 O OE1 . GLN A 1 120 ? 8.750 13.390 31.044 1.00 44.42 ? 812 GLN A OE1 1 \nATOM 874 N NE2 . GLN A 1 120 ? 9.675 13.785 29.044 1.00 42.08 ? 812 GLN A NE2 1 \nATOM 875 N N . TYR A 1 121 ? 11.963 18.254 29.832 1.00 32.34 ? 813 TYR A N 1 \nATOM 876 C CA . TYR A 1 121 ? 12.030 19.240 28.771 1.00 32.29 ? 813 TYR A CA 1 \nATOM 877 C C . TYR A 1 121 ? 13.266 19.034 27.908 1.00 31.16 ? 813 TYR A C 1 \nATOM 878 O O . TYR A 1 121 ? 13.163 19.089 26.680 1.00 29.68 ? 813 TYR A O 1 \nATOM 879 C CB . TYR A 1 121 ? 12.024 20.652 29.344 1.00 38.14 ? 813 TYR A CB 1 \nATOM 880 C CG . TYR A 1 121 ? 10.622 21.155 29.638 1.00 51.63 ? 813 TYR A CG 1 \nATOM 881 C CD1 . TYR A 1 121 ? 9.906 21.869 28.679 1.00 54.26 ? 813 TYR A CD1 1 \nATOM 882 C CD2 . TYR A 1 121 ? 10.009 20.895 30.864 1.00 53.00 ? 813 TYR A CD2 1 \nATOM 883 C CE1 . TYR A 1 121 ? 8.622 22.329 28.940 1.00 68.44 ? 813 TYR A CE1 1 \nATOM 884 C CE2 . TYR A 1 121 ? 8.726 21.352 31.135 1.00 63.66 ? 813 TYR A CE2 1 \nATOM 885 C CZ . TYR A 1 121 ? 8.039 22.066 30.169 1.00 71.43 ? 813 TYR A CZ 1 \nATOM 886 O OH . TYR A 1 121 ? 6.767 22.523 30.430 1.00 76.05 ? 813 TYR A OH 1 \nATOM 887 N N . LEU A 1 122 ? 14.420 18.807 28.549 1.00 36.58 ? 814 LEU A N 1 \nATOM 888 C CA . LEU A 1 122 ? 15.674 18.661 27.821 1.00 30.86 ? 814 LEU A CA 1 \nATOM 889 C C . LEU A 1 122 ? 15.637 17.463 26.892 1.00 35.35 ? 814 LEU A C 1 \nATOM 890 O O . LEU A 1 122 ? 16.056 17.551 25.749 1.00 32.61 ? 814 LEU A O 1 \nATOM 891 C CB . LEU A 1 122 ? 16.871 18.486 28.781 1.00 34.36 ? 814 LEU A CB 1 \nATOM 892 C CG . LEU A 1 122 ? 17.315 19.756 29.502 1.00 32.88 ? 814 LEU A CG 1 \nATOM 893 C CD1 . LEU A 1 122 ? 18.045 19.417 30.796 1.00 31.09 ? 814 LEU A CD1 1 \nATOM 894 C CD2 . LEU A 1 122 ? 18.149 20.612 28.556 1.00 31.70 ? 814 LEU A CD2 1 \nATOM 895 N N . LEU A 1 123 ? 15.127 16.340 27.389 1.00 32.49 ? 815 LEU A N 1 \nATOM 896 C CA . LEU A 1 123 ? 15.018 15.148 26.557 1.00 32.42 ? 815 LEU A CA 1 \nATOM 897 C C . LEU A 1 123 ? 13.996 15.297 25.445 1.00 28.76 ? 815 LEU A C 1 \nATOM 898 O O . LEU A 1 123 ? 14.208 14.802 24.337 1.00 26.06 ? 815 LEU A O 1 \nATOM 899 C CB . LEU A 1 123 ? 14.741 13.911 27.415 1.00 29.83 ? 815 LEU A CB 1 \nATOM 900 C CG . LEU A 1 123 ? 15.915 13.501 28.312 1.00 33.92 ? 815 LEU A CG 1 \nATOM 901 C CD1 . LEU A 1 123 ? 15.462 12.483 29.345 1.00 36.17 ? 815 LEU A CD1 1 \nATOM 902 C CD2 . LEU A 1 123 ? 17.080 12.941 27.508 1.00 37.71 ? 815 LEU A CD2 1 \nATOM 903 N N . ASN A 1 124 ? 12.867 15.947 25.736 1.00 30.63 ? 816 ASN A N 1 \nATOM 904 C CA . ASN A 1 124 ? 11.881 16.223 24.681 1.00 31.65 ? 816 ASN A CA 1 \nATOM 905 C C . ASN A 1 124 ? 12.464 17.122 23.582 1.00 28.45 ? 816 ASN A C 1 \nATOM 906 O O . ASN A 1 124 ? 12.242 16.892 22.404 1.00 28.56 ? 816 ASN A O 1 \nATOM 907 C CB . ASN A 1 124 ? 10.589 16.848 25.249 1.00 31.15 ? 816 ASN A CB 1 \nATOM 908 C CG . ASN A 1 124 ? 9.707 15.839 25.984 1.00 41.85 ? 816 ASN A CG 1 \nATOM 909 O OD1 . ASN A 1 124 ? 9.945 14.631 25.965 1.00 44.46 ? 816 ASN A OD1 1 \nATOM 910 N ND2 . ASN A 1 124 ? 8.653 16.349 26.627 1.00 44.28 ? 816 ASN A ND2 1 \nATOM 911 N N . TRP A 1 125 ? 13.245 18.122 23.953 1.00 31.52 ? 817 TRP A N 1 \nATOM 912 C CA . TRP A 1 125 ? 13.885 18.918 22.908 1.00 34.10 ? 817 TRP A CA 1 \nATOM 913 C C . TRP A 1 125 ? 14.764 18.075 21.997 1.00 28.46 ? 817 TRP A C 1 \nATOM 914 O O . TRP A 1 125 ? 14.776 18.295 20.785 1.00 27.78 ? 817 TRP A O 1 \nATOM 915 C CB . TRP A 1 125 ? 14.656 20.106 23.455 1.00 35.22 ? 817 TRP A CB 1 \nATOM 916 C CG . TRP A 1 125 ? 13.763 21.120 24.175 1.00 35.48 ? 817 TRP A CG 1 \nATOM 917 C CD1 . TRP A 1 125 ? 12.435 21.414 23.920 1.00 38.29 ? 817 TRP A CD1 1 \nATOM 918 C CD2 . TRP A 1 125 ? 14.147 21.925 25.286 1.00 33.22 ? 817 TRP A CD2 1 \nATOM 919 N NE1 . TRP A 1 125 ? 11.996 22.373 24.796 1.00 34.21 ? 817 TRP A NE1 1 \nATOM 920 C CE2 . TRP A 1 125 ? 13.019 22.700 25.653 1.00 42.26 ? 817 TRP A CE2 1 \nATOM 921 C CE3 . TRP A 1 125 ? 15.343 22.066 26.017 1.00 35.06 ? 817 TRP A CE3 1 \nATOM 922 C CZ2 . TRP A 1 125 ? 13.048 23.613 26.725 1.00 36.27 ? 817 TRP A CZ2 1 \nATOM 923 C CZ3 . TRP A 1 125 ? 15.376 22.974 27.084 1.00 37.42 ? 817 TRP A CZ3 1 \nATOM 924 C CH2 . TRP A 1 125 ? 14.226 23.738 27.424 1.00 39.45 ? 817 TRP A CH2 1 \nATOM 925 N N . CYS A 1 126 ? 15.495 17.121 22.578 1.00 31.30 ? 818 CYS A N 1 \nATOM 926 C CA . CYS A 1 126 ? 16.398 16.272 21.797 1.00 28.29 ? 818 CYS A CA 1 \nATOM 927 C C . CYS A 1 126 ? 15.629 15.435 20.803 1.00 27.53 ? 818 CYS A C 1 \nATOM 928 O O . CYS A 1 126 ? 16.079 15.239 19.659 1.00 24.60 ? 818 CYS A O 1 \nATOM 929 C CB . CYS A 1 126 ? 17.216 15.373 22.712 1.00 30.70 ? 818 CYS A CB 1 \nATOM 930 S SG . CYS A 1 126 ? 18.371 16.323 23.741 1.00 32.48 ? 818 CYS A SG 1 \nATOM 931 N N . VAL A 1 127 ? 14.447 14.962 21.226 1.00 29.56 ? 819 VAL A N 1 \nATOM 932 C CA . VAL A 1 127 ? 13.585 14.184 20.330 1.00 26.87 ? 819 VAL A CA 1 \nATOM 933 C C . VAL A 1 127 ? 13.133 15.070 19.189 1.00 22.48 ? 819 VAL A C 1 \nATOM 934 O O . VAL A 1 127 ? 13.221 14.688 18.026 1.00 27.83 ? 819 VAL A O 1 \nATOM 935 C CB . VAL A 1 127 ? 12.334 13.601 21.046 1.00 30.60 ? 819 VAL A CB 1 \nATOM 936 C CG1 . VAL A 1 127 ? 11.386 12.992 20.031 1.00 33.23 ? 819 VAL A CG1 1 \nATOM 937 C CG2 . VAL A 1 127 ? 12.751 12.531 22.052 1.00 33.03 ? 819 VAL A CG2 1 \nATOM 938 N N . GLN A 1 128 ? 12.588 16.240 19.538 1.00 25.20 ? 820 GLN A N 1 \nATOM 939 C CA . GLN A 1 128 ? 12.071 17.161 18.544 1.00 24.15 ? 820 GLN A CA 1 \nATOM 940 C C . GLN A 1 128 ? 13.084 17.584 17.506 1.00 28.99 ? 820 GLN A C 1 \nATOM 941 O O . GLN A 1 128 ? 12.771 17.653 16.320 1.00 26.26 ? 820 GLN A O 1 \nATOM 942 C CB . GLN A 1 128 ? 11.485 18.387 19.236 1.00 30.21 ? 820 GLN A CB 1 \nATOM 943 C CG . GLN A 1 128 ? 10.167 18.044 19.948 1.00 29.63 ? 820 GLN A CG 1 \nATOM 944 C CD . GLN A 1 128 ? 9.625 19.192 20.778 1.00 40.17 ? 820 GLN A CD 1 \nATOM 945 O OE1 . GLN A 1 128 ? 10.012 20.344 20.586 1.00 38.95 ? 820 GLN A OE1 1 \nATOM 946 N NE2 . GLN A 1 128 ? 8.715 18.876 21.719 1.00 39.16 ? 820 GLN A NE2 1 \nATOM 947 N N . ILE A 1 129 ? 14.286 17.887 17.970 1.00 26.92 ? 821 ILE A N 1 \nATOM 948 C CA . ILE A 1 129 ? 15.378 18.243 17.044 1.00 27.15 ? 821 ILE A CA 1 \nATOM 949 C C . ILE A 1 129 ? 15.708 17.057 16.121 1.00 21.32 ? 821 ILE A C 1 \nATOM 950 O O . ILE A 1 129 ? 15.835 17.221 14.917 1.00 22.85 ? 821 ILE A O 1 \nATOM 951 C CB . ILE A 1 129 ? 16.633 18.777 17.769 1.00 28.62 ? 821 ILE A CB 1 \nATOM 952 C CG1 . ILE A 1 129 ? 16.328 20.096 18.516 1.00 25.26 ? 821 ILE A CG1 1 \nATOM 953 C CG2 . ILE A 1 129 ? 17.749 18.986 16.749 1.00 24.04 ? 821 ILE A CG2 1 \nATOM 954 C CD1 . ILE A 1 129 ? 17.358 20.475 19.579 1.00 24.33 ? 821 ILE A CD1 1 \nATOM 955 N N . ALA A 1 130 ? 15.776 15.855 16.678 1.00 23.15 ? 822 ALA A N 1 \nATOM 956 C CA . ALA A 1 130 ? 16.024 14.676 15.861 1.00 26.29 ? 822 ALA A CA 1 \nATOM 957 C C . ALA A 1 130 ? 14.870 14.421 14.888 1.00 22.85 ? 822 ALA A C 1 \nATOM 958 O O . ALA A 1 130 ? 15.078 14.004 13.766 1.00 22.39 ? 822 ALA A O 1 \nATOM 959 C CB . ALA A 1 130 ? 16.303 13.459 16.738 1.00 32.12 ? 822 ALA A CB 1 \nATOM 960 N N . LYS A 1 131 ? 13.620 14.706 15.281 1.00 22.94 ? 823 LYS A N 1 \nATOM 961 C CA . LYS A 1 131 ? 12.570 14.518 14.276 1.00 24.82 ? 823 LYS A CA 1 \nATOM 962 C C . LYS A 1 131 ? 12.712 15.503 13.100 1.00 23.26 ? 823 LYS A C 1 \nATOM 963 O O . LYS A 1 131 ? 12.557 15.124 11.928 1.00 26.11 ? 823 LYS A O 1 \nATOM 964 C CB . LYS A 1 131 ? 11.183 14.694 14.927 1.00 22.51 ? 823 LYS A CB 1 \nATOM 965 C CG . LYS A 1 131 ? 10.779 13.603 15.894 1.00 28.59 ? 823 LYS A CG 1 \nATOM 966 C CD . LYS A 1 131 ? 9.395 13.859 16.515 1.00 31.72 ? 823 LYS A CD 1 \nATOM 967 C CE . LYS A 1 131 ? 9.078 12.757 17.512 1.00 37.15 ? 823 LYS A CE 1 \nATOM 968 N NZ . LYS A 1 131 ? 7.670 12.819 18.034 1.00 38.50 ? 823 LYS A NZ 1 \nATOM 969 N N . GLY A 1 132 ? 12.985 16.775 13.391 1.00 25.36 ? 824 GLY A N 1 \nATOM 970 C CA . GLY A 1 132 ? 13.145 17.759 12.309 1.00 29.39 ? 824 GLY A CA 1 \nATOM 971 C C . GLY A 1 132 ? 14.330 17.419 11.403 1.00 26.12 ? 824 GLY A C 1 \nATOM 972 O O . GLY A 1 132 ? 14.287 17.590 10.179 1.00 24.27 ? 824 GLY A O 1 \nATOM 973 N N . MET A 1 133 ? 15.416 16.956 12.009 1.00 27.53 ? 825 MET A N 1 \nATOM 974 C CA . MET A 1 133 ? 16.585 16.546 11.189 1.00 24.74 ? 825 MET A CA 1 \nATOM 975 C C . MET A 1 133 ? 16.271 15.293 10.348 1.00 23.11 ? 825 MET A C 1 \nATOM 976 O O . MET A 1 133 ? 16.627 15.224 9.171 1.00 25.98 ? 825 MET A O 1 \nATOM 977 C CB . MET A 1 133 ? 17.820 16.335 12.068 1.00 26.81 ? 825 MET A CB 1 \nATOM 978 C CG . MET A 1 133 ? 18.301 17.619 12.738 1.00 28.15 ? 825 MET A CG 1 \nATOM 979 S SD . MET A 1 133 ? 18.784 18.939 11.613 1.00 28.88 ? 825 MET A SD 1 \nATOM 980 C CE . MET A 1 133 ? 20.287 18.281 10.877 1.00 27.33 ? 825 MET A CE 1 \nATOM 981 N N . ASN A 1 134 ? 15.517 14.352 10.905 1.00 27.36 ? 826 ASN A N 1 \nATOM 982 C CA . ASN A 1 134 ? 15.105 13.212 10.109 1.00 26.66 ? 826 ASN A CA 1 \nATOM 983 C C . ASN A 1 134 ? 14.194 13.641 8.933 1.00 24.20 ? 826 ASN A C 1 \nATOM 984 O O . ASN A 1 134 ? 14.274 13.071 7.825 1.00 22.04 ? 826 ASN A O 1 \nATOM 985 C CB . ASN A 1 134 ? 14.425 12.149 10.976 1.00 26.04 ? 826 ASN A CB 1 \nATOM 986 C CG . ASN A 1 134 ? 14.052 10.912 10.187 1.00 28.55 ? 826 ASN A CG 1 \nATOM 987 O OD1 . ASN A 1 134 ? 14.915 10.179 9.684 1.00 27.71 ? 826 ASN A OD1 1 \nATOM 988 N ND2 . ASN A 1 134 ? 12.746 10.665 10.078 1.00 31.03 ? 826 ASN A ND2 1 \nATOM 989 N N . TYR A 1 135 ? 13.365 14.662 9.159 1.00 30.63 ? 827 TYR A N 1 \nATOM 990 C CA . TYR A 1 135 ? 12.519 15.203 8.080 1.00 29.94 ? 827 TYR A CA 1 \nATOM 991 C C . TYR A 1 135 ? 13.389 15.835 7.001 1.00 30.42 ? 827 TYR A C 1 \nATOM 992 O O . TYR A 1 135 ? 13.182 15.591 5.813 1.00 26.26 ? 827 TYR A O 1 \nATOM 993 C CB . TYR A 1 135 ? 11.488 16.219 8.608 1.00 27.76 ? 827 TYR A CB 1 \nATOM 994 C CG . TYR A 1 135 ? 10.671 16.810 7.495 1.00 26.46 ? 827 TYR A CG 1 \nATOM 995 C CD1 . TYR A 1 135 ? 9.442 16.223 7.089 1.00 28.24 ? 827 TYR A CD1 1 \nATOM 996 C CD2 . TYR A 1 135 ? 11.074 17.986 6.891 1.00 26.58 ? 827 TYR A CD2 1 \nATOM 997 C CE1 . TYR A 1 135 ? 8.711 16.792 6.051 1.00 24.43 ? 827 TYR A CE1 1 \nATOM 998 C CE2 . TYR A 1 135 ? 10.380 18.533 5.846 1.00 24.77 ? 827 TYR A CE2 1 \nATOM 999 C CZ . TYR A 1 135 ? 9.154 17.955 5.472 1.00 29.96 ? 827 TYR A CZ 1 \nATOM 1000 O OH . TYR A 1 135 ? 8.510 18.524 4.443 1.00 28.47 ? 827 TYR A OH 1 \nATOM 1001 N N . LEU A 1 136 ? 14.400 16.619 7.395 1.00 28.36 ? 828 LEU A N 1 \nATOM 1002 C CA . LEU A 1 136 ? 15.313 17.165 6.391 1.00 30.91 ? 828 LEU A CA 1 \nATOM 1003 C C . LEU A 1 136 ? 16.033 16.056 5.597 1.00 25.76 ? 828 LEU A C 1 \nATOM 1004 O O . LEU A 1 136 ? 16.242 16.188 4.400 1.00 24.44 ? 828 LEU A O 1 \nATOM 1005 C CB . LEU A 1 136 ? 16.298 18.149 7.029 1.00 24.38 ? 828 LEU A CB 1 \nATOM 1006 C CG . LEU A 1 136 ? 15.708 19.448 7.601 1.00 26.71 ? 828 LEU A CG 1 \nATOM 1007 C CD1 . LEU A 1 136 ? 16.776 20.314 8.270 1.00 34.46 ? 828 LEU A CD1 1 \nATOM 1008 C CD2 . LEU A 1 136 ? 15.025 20.236 6.478 1.00 32.58 ? 828 LEU A CD2 1 \nATOM 1009 N N . GLU A 1 137 ? 16.362 14.944 6.253 1.00 26.25 ? 829 GLU A N 1 \nATOM 1010 C CA . GLU A 1 137 ? 17.037 13.848 5.551 1.00 25.11 ? 829 GLU A CA 1 \nATOM 1011 C C . GLU A 1 137 ? 16.085 13.197 4.524 1.00 28.25 ? 829 GLU A C 1 \nATOM 1012 O O . GLU A 1 137 ? 16.466 12.860 3.407 1.00 26.58 ? 829 GLU A O 1 \nATOM 1013 C CB . GLU A 1 137 ? 17.688 12.862 6.540 1.00 24.51 ? 829 GLU A CB 1 \nATOM 1014 C CG . GLU A 1 137 ? 18.425 11.676 5.898 1.00 30.84 ? 829 GLU A CG 1 \nATOM 1015 C CD . GLU A 1 137 ? 19.136 10.739 6.887 1.00 29.05 ? 829 GLU A CD 1 \nATOM 1016 O OE1 . GLU A 1 137 ? 19.042 10.932 8.126 1.00 33.17 ? 829 GLU A OE1 1 \nATOM 1017 O OE2 . GLU A 1 137 ? 19.758 9.762 6.413 1.00 25.79 ? 829 GLU A OE2 1 \nATOM 1018 N N . ASP A 1 138 ? 14.822 13.067 4.895 1.00 28.69 ? 830 ASP A N 1 \nATOM 1019 C CA . ASP A 1 138 ? 13.805 12.642 3.916 1.00 32.95 ? 830 ASP A CA 1 \nATOM 1020 C C . ASP A 1 138 ? 13.687 13.610 2.727 1.00 30.22 ? 830 ASP A C 1 \nATOM 1021 O O . ASP A 1 138 ? 13.474 13.181 1.591 1.00 31.90 ? 830 ASP A O 1 \nATOM 1022 C CB . ASP A 1 138 ? 12.453 12.404 4.600 1.00 30.71 ? 830 ASP A CB 1 \nATOM 1023 C CG . ASP A 1 138 ? 12.429 11.120 5.445 1.00 33.56 ? 830 ASP A CG 1 \nATOM 1024 O OD1 . ASP A 1 138 ? 11.726 11.097 6.469 1.00 33.94 ? 830 ASP A OD1 1 \nATOM 1025 O OD2 . ASP A 1 138 ? 13.131 10.142 5.116 1.00 34.53 ? 830 ASP A OD2 1 \nATOM 1026 N N . ARG A 1 139 ? 13.844 14.905 2.985 1.00 24.69 ? 831 ARG A N 1 \nATOM 1027 C CA . ARG A 1 139 ? 13.849 15.901 1.922 1.00 27.76 ? 831 ARG A CA 1 \nATOM 1028 C C . ARG A 1 139 ? 15.213 15.968 1.207 1.00 30.75 ? 831 ARG A C 1 \nATOM 1029 O O . ARG A 1 139 ? 15.390 16.755 0.314 1.00 33.68 ? 831 ARG A O 1 \nATOM 1030 C CB . ARG A 1 139 ? 13.443 17.294 2.460 1.00 31.23 ? 831 ARG A CB 1 \nATOM 1031 C CG . ARG A 1 139 ? 11.941 17.456 2.717 1.00 48.98 ? 831 ARG A CG 1 \nATOM 1032 C CD . ARG A 1 139 ? 11.132 17.048 1.486 1.00 54.64 ? 831 ARG A CD 1 \nATOM 1033 N NE . ARG A 1 139 ? 9.727 17.486 1.420 1.00 61.13 ? 831 ARG A NE 1 \nATOM 1034 C CZ . ARG A 1 139 ? 9.329 18.755 1.320 1.00 57.98 ? 831 ARG A CZ 1 \nATOM 1035 N NH1 . ARG A 1 139 ? 8.030 19.054 1.222 1.00 43.34 ? 831 ARG A NH1 1 \nATOM 1036 N NH2 . ARG A 1 139 ? 10.224 19.734 1.332 1.00 75.24 ? 831 ARG A NH2 1 \nATOM 1037 N N . ARG A 1 140 ? 16.169 15.134 1.608 1.00 32.01 ? 832 ARG A N 1 \nATOM 1038 C CA . ARG A 1 140 ? 17.523 15.181 0.987 1.00 25.88 ? 832 ARG A CA 1 \nATOM 1039 C C . ARG A 1 140 ? 18.165 16.581 1.055 1.00 26.82 ? 832 ARG A C 1 \nATOM 1040 O O . ARG A 1 140 ? 18.870 17.014 0.144 1.00 39.99 ? 832 ARG A O 1 \nATOM 1041 C CB . ARG A 1 140 ? 17.481 14.595 -0.449 1.00 26.75 ? 832 ARG A CB 1 \nATOM 1042 C CG . ARG A 1 140 ? 16.852 13.203 -0.493 1.00 38.69 ? 832 ARG A CG 1 \nATOM 1043 C CD . ARG A 1 140 ? 16.749 12.615 -1.901 1.00 44.66 ? 832 ARG A CD 1 \nATOM 1044 N NE . ARG A 1 140 ? 18.060 12.375 -2.490 1.00 43.81 ? 832 ARG A NE 1 \nATOM 1045 C CZ . ARG A 1 140 ? 18.292 12.142 -3.782 1.00 59.18 ? 832 ARG A CZ 1 \nATOM 1046 N NH1 . ARG A 1 140 ? 19.539 11.932 -4.198 1.00 65.97 ? 832 ARG A NH1 1 \nATOM 1047 N NH2 . ARG A 1 140 ? 17.295 12.120 -4.663 1.00 52.24 ? 832 ARG A NH2 1 \nATOM 1048 N N . LEU A 1 141 ? 17.972 17.251 2.186 1.00 27.81 ? 833 LEU A N 1 \nATOM 1049 C CA . LEU A 1 141 ? 18.510 18.577 2.418 1.00 34.21 ? 833 LEU A CA 1 \nATOM 1050 C C . LEU A 1 141 ? 19.449 18.523 3.624 1.00 34.74 ? 833 LEU A C 1 \nATOM 1051 O O . LEU A 1 141 ? 18.999 18.429 4.771 1.00 30.53 ? 833 LEU A O 1 \nATOM 1052 C CB . LEU A 1 141 ? 17.364 19.579 2.657 1.00 34.42 ? 833 LEU A CB 1 \nATOM 1053 C CG . LEU A 1 141 ? 17.613 21.095 2.539 1.00 38.35 ? 833 LEU A CG 1 \nATOM 1054 C CD1 . LEU A 1 141 ? 16.355 21.860 2.907 1.00 47.96 ? 833 LEU A CD1 1 \nATOM 1055 C CD2 . LEU A 1 141 ? 18.768 21.594 3.393 1.00 52.23 ? 833 LEU A CD2 1 \nATOM 1056 N N . VAL A 1 142 ? 20.755 18.551 3.363 1.00 26.72 ? 834 VAL A N 1 \nATOM 1057 C CA . VAL A 1 142 ? 21.728 18.644 4.437 1.00 25.51 ? 834 VAL A CA 1 \nATOM 1058 C C . VAL A 1 142 ? 21.700 20.057 5.048 1.00 23.33 ? 834 VAL A C 1 \nATOM 1059 O O . VAL A 1 142 ? 21.694 21.057 4.313 1.00 28.02 ? 834 VAL A O 1 \nATOM 1060 C CB . VAL A 1 142 ? 23.156 18.309 3.917 1.00 25.87 ? 834 VAL A CB 1 \nATOM 1061 C CG1 . VAL A 1 142 ? 24.100 18.192 5.115 1.00 23.90 ? 834 VAL A CG1 1 \nATOM 1062 C CG2 . VAL A 1 142 ? 23.119 16.992 3.141 1.00 28.31 ? 834 VAL A CG2 1 \nATOM 1063 N N . HIS A 1 143 ? 21.660 20.124 6.381 1.00 24.32 ? 835 HIS A N 1 \nATOM 1064 C CA . HIS A 1 143 ? 21.506 21.383 7.113 1.00 23.28 ? 835 HIS A CA 1 \nATOM 1065 C C . HIS A 1 143 ? 22.785 22.162 6.940 1.00 27.03 ? 835 HIS A C 1 \nATOM 1066 O O . HIS A 1 143 ? 22.813 23.290 6.411 1.00 26.76 ? 835 HIS A O 1 \nATOM 1067 C CB . HIS A 1 143 ? 21.277 21.097 8.607 1.00 22.96 ? 835 HIS A CB 1 \nATOM 1068 C CG . HIS A 1 143 ? 20.801 22.288 9.388 1.00 25.87 ? 835 HIS A CG 1 \nATOM 1069 N ND1 . HIS A 1 143 ? 21.552 23.426 9.550 1.00 25.72 ? 835 HIS A ND1 1 \nATOM 1070 C CD2 . HIS A 1 143 ? 19.625 22.522 10.030 1.00 29.70 ? 835 HIS A CD2 1 \nATOM 1071 C CE1 . HIS A 1 143 ? 20.875 24.313 10.264 1.00 26.78 ? 835 HIS A CE1 1 \nATOM 1072 N NE2 . HIS A 1 143 ? 19.701 23.783 10.576 1.00 27.19 ? 835 HIS A NE2 1 \nATOM 1073 N N . ARG A 1 144 ? 23.853 21.527 7.386 1.00 25.53 ? 836 ARG A N 1 \nATOM 1074 C CA . ARG A 1 144 ? 25.221 22.123 7.370 1.00 24.68 ? 836 ARG A CA 1 \nATOM 1075 C C . ARG A 1 144 ? 25.537 23.182 8.437 1.00 30.73 ? 836 ARG A C 1 \nATOM 1076 O O . ARG A 1 144 ? 26.695 23.623 8.533 1.00 31.37 ? 836 ARG A O 1 \nATOM 1077 C CB . ARG A 1 144 ? 25.601 22.653 5.966 1.00 29.95 ? 836 ARG A CB 1 \nATOM 1078 C CG . ARG A 1 144 ? 25.531 21.613 4.858 1.00 29.36 ? 836 ARG A CG 1 \nATOM 1079 C CD . ARG A 1 144 ? 25.842 22.225 3.503 1.00 35.72 ? 836 ARG A CD 1 \nATOM 1080 N NE . ARG A 1 144 ? 25.737 21.236 2.426 1.00 35.96 ? 836 ARG A NE 1 \nATOM 1081 C CZ . ARG A 1 144 ? 24.613 20.915 1.795 1.00 42.66 ? 836 ARG A CZ 1 \nATOM 1082 N NH1 . ARG A 1 144 ? 23.454 21.500 2.119 1.00 43.85 ? 836 ARG A NH1 1 \nATOM 1083 N NH2 . ARG A 1 144 ? 24.655 20.006 0.825 1.00 45.95 ? 836 ARG A NH2 1 \nATOM 1084 N N . ASP A 1 145 ? 24.564 23.573 9.252 1.00 28.01 ? 837 ASP A N 1 \nATOM 1085 C CA . ASP A 1 145 ? 24.814 24.539 10.330 1.00 30.26 ? 837 ASP A CA 1 \nATOM 1086 C C . ASP A 1 145 ? 23.893 24.288 11.553 1.00 24.80 ? 837 ASP A C 1 \nATOM 1087 O O . ASP A 1 145 ? 23.436 25.220 12.215 1.00 27.76 ? 837 ASP A O 1 \nATOM 1088 C CB . ASP A 1 145 ? 24.667 25.972 9.766 1.00 35.19 ? 837 ASP A CB 1 \nATOM 1089 C CG . ASP A 1 145 ? 25.123 27.070 10.730 1.00 39.72 ? 837 ASP A CG 1 \nATOM 1090 O OD1 . ASP A 1 145 ? 24.630 28.217 10.587 1.00 39.41 ? 837 ASP A OD1 1 \nATOM 1091 O OD2 . ASP A 1 145 ? 25.968 26.824 11.608 1.00 39.11 ? 837 ASP A OD2 1 \nATOM 1092 N N . LEU A 1 146 ? 23.664 23.019 11.894 1.00 22.90 ? 838 LEU A N 1 \nATOM 1093 C CA . LEU A 1 146 ? 22.936 22.738 13.109 1.00 26.01 ? 838 LEU A CA 1 \nATOM 1094 C C . LEU A 1 146 ? 23.734 23.109 14.359 1.00 31.57 ? 838 LEU A C 1 \nATOM 1095 O O . LEU A 1 146 ? 24.933 22.815 14.484 1.00 23.80 ? 838 LEU A O 1 \nATOM 1096 C CB . LEU A 1 146 ? 22.428 21.289 13.139 1.00 23.02 ? 838 LEU A CB 1 \nATOM 1097 C CG . LEU A 1 146 ? 21.594 20.979 14.380 1.00 21.58 ? 838 LEU A CG 1 \nATOM 1098 C CD1 . LEU A 1 146 ? 20.220 21.710 14.325 1.00 23.98 ? 838 LEU A CD1 1 \nATOM 1099 C CD2 . LEU A 1 146 ? 21.381 19.486 14.377 1.00 26.15 ? 838 LEU A CD2 1 \nATOM 1100 N N . ALA A 1 147 ? 23.056 23.809 15.260 1.00 25.46 ? 839 ALA A N 1 \nATOM 1101 C CA . ALA A 1 147 ? 23.624 24.344 16.489 1.00 26.75 ? 839 ALA A CA 1 \nATOM 1102 C C . ALA A 1 147 ? 22.450 24.802 17.349 1.00 26.96 ? 839 ALA A C 1 \nATOM 1103 O O . ALA A 1 147 ? 21.368 25.075 16.818 1.00 27.56 ? 839 ALA A O 1 \nATOM 1104 C CB . ALA A 1 147 ? 24.560 25.503 16.172 1.00 26.89 ? 839 ALA A CB 1 \nATOM 1105 N N . ALA A 1 148 ? 22.647 24.874 18.660 1.00 25.41 ? 840 ALA A N 1 \nATOM 1106 C CA . ALA A 1 148 ? 21.586 25.344 19.568 1.00 28.19 ? 840 ALA A CA 1 \nATOM 1107 C C . ALA A 1 148 ? 21.088 26.729 19.178 1.00 32.62 ? 840 ALA A C 1 \nATOM 1108 O O . ALA A 1 148 ? 19.888 27.022 19.337 1.00 26.09 ? 840 ALA A O 1 \nATOM 1109 C CB . ALA A 1 148 ? 22.036 25.315 21.015 1.00 31.55 ? 840 ALA A CB 1 \nATOM 1110 N N . ARG A 1 149 ? 21.988 27.573 18.667 1.00 26.53 ? 841 ARG A N 1 \nATOM 1111 C CA . ARG A 1 149 ? 21.564 28.878 18.116 1.00 33.68 ? 841 ARG A CA 1 \nATOM 1112 C C . ARG A 1 149 ? 20.540 28.815 16.971 1.00 29.87 ? 841 ARG A C 1 \nATOM 1113 O O . ARG A 1 149 ? 19.785 29.780 16.780 1.00 30.30 ? 841 ARG A O 1 \nATOM 1114 C CB . ARG A 1 149 ? 22.764 29.723 17.692 1.00 28.34 ? 841 ARG A CB 1 \nATOM 1115 C CG . ARG A 1 149 ? 23.404 29.295 16.373 1.00 26.85 ? 841 ARG A CG 1 \nATOM 1116 C CD . ARG A 1 149 ? 24.776 29.947 16.162 1.00 29.53 ? 841 ARG A CD 1 \nATOM 1117 N NE . ARG A 1 149 ? 25.422 29.243 15.073 1.00 31.29 ? 841 ARG A NE 1 \nATOM 1118 C CZ . ARG A 1 149 ? 26.341 28.302 15.254 1.00 39.55 ? 841 ARG A CZ 1 \nATOM 1119 N NH1 . ARG A 1 149 ? 26.771 28.031 16.482 1.00 34.98 ? 841 ARG A NH1 1 \nATOM 1120 N NH2 . ARG A 1 149 ? 26.851 27.654 14.208 1.00 34.16 ? 841 ARG A NH2 1 \nATOM 1121 N N . ASN A 1 150 ? 20.510 27.690 16.239 1.00 27.08 ? 842 ASN A N 1 \nATOM 1122 C CA . ASN A 1 150 ? 19.637 27.487 15.083 1.00 30.03 ? 842 ASN A CA 1 \nATOM 1123 C C . ASN A 1 150 ? 18.422 26.601 15.370 1.00 24.67 ? 842 ASN A C 1 \nATOM 1124 O O . ASN A 1 150 ? 17.845 25.978 14.469 1.00 27.99 ? 842 ASN A O 1 \nATOM 1125 C CB . ASN A 1 150 ? 20.435 27.010 13.873 1.00 29.06 ? 842 ASN A CB 1 \nATOM 1126 C CG . ASN A 1 150 ? 21.262 28.134 13.254 1.00 37.72 ? 842 ASN A CG 1 \nATOM 1127 O OD1 . ASN A 1 150 ? 20.864 29.305 13.306 1.00 30.50 ? 842 ASN A OD1 1 \nATOM 1128 N ND2 . ASN A 1 150 ? 22.422 27.794 12.679 1.00 29.81 ? 842 ASN A ND2 1 \nATOM 1129 N N . VAL A 1 151 ? 18.136 26.486 16.658 1.00 23.76 ? 843 VAL A N 1 \nATOM 1130 C CA . VAL A 1 151 ? 16.903 25.867 17.159 1.00 30.91 ? 843 VAL A CA 1 \nATOM 1131 C C . VAL A 1 151 ? 16.114 26.985 17.836 1.00 31.47 ? 843 VAL A C 1 \nATOM 1132 O O . VAL A 1 151 ? 16.638 27.662 18.721 1.00 31.89 ? 843 VAL A O 1 \nATOM 1133 C CB . VAL A 1 151 ? 17.212 24.725 18.140 1.00 27.97 ? 843 VAL A CB 1 \nATOM 1134 C CG1 . VAL A 1 151 ? 15.915 24.065 18.619 1.00 27.30 ? 843 VAL A CG1 1 \nATOM 1135 C CG2 . VAL A 1 151 ? 18.140 23.693 17.466 1.00 24.18 ? 843 VAL A CG2 1 \nATOM 1136 N N . LEU A 1 152 ? 14.852 27.149 17.445 1.00 31.01 ? 844 LEU A N 1 \nATOM 1137 C CA . LEU A 1 152 ? 14.016 28.272 17.951 1.00 28.78 ? 844 LEU A CA 1 \nATOM 1138 C C . LEU A 1 152 ? 12.878 27.747 18.798 1.00 31.95 ? 844 LEU A C 1 \nATOM 1139 O O . LEU A 1 152 ? 12.356 26.667 18.531 1.00 29.93 ? 844 LEU A O 1 \nATOM 1140 C CB . LEU A 1 152 ? 13.463 29.114 16.782 1.00 31.04 ? 844 LEU A CB 1 \nATOM 1141 C CG . LEU A 1 152 ? 14.521 29.764 15.877 1.00 31.25 ? 844 LEU A CG 1 \nATOM 1142 C CD1 . LEU A 1 152 ? 13.961 30.700 14.816 1.00 33.04 ? 844 LEU A CD1 1 \nATOM 1143 C CD2 . LEU A 1 152 ? 15.550 30.506 16.706 1.00 35.54 ? 844 LEU A CD2 1 \nATOM 1144 N N . VAL A 1 153 ? 12.508 28.516 19.819 1.00 33.45 ? 845 VAL A N 1 \nATOM 1145 C CA . VAL A 1 153 ? 11.410 28.169 20.722 1.00 37.40 ? 845 VAL A CA 1 \nATOM 1146 C C . VAL A 1 153 ? 10.050 28.660 20.197 1.00 39.79 ? 845 VAL A C 1 \nATOM 1147 O O . VAL A 1 153 ? 9.791 29.864 20.151 1.00 40.55 ? 845 VAL A O 1 \nATOM 1148 C CB . VAL A 1 153 ? 11.706 28.704 22.144 1.00 37.90 ? 845 VAL A CB 1 \nATOM 1149 C CG1 . VAL A 1 153 ? 10.598 28.332 23.123 1.00 34.42 ? 845 VAL A CG1 1 \nATOM 1150 C CG2 . VAL A 1 153 ? 13.046 28.162 22.639 1.00 34.23 ? 845 VAL A CG2 1 \nATOM 1151 N N . LYS A 1 154 ? 9.193 27.725 19.786 1.00 36.10 ? 846 LYS A N 1 \nATOM 1152 C CA . LYS A 1 154 ? 7.792 28.043 19.467 1.00 43.58 ? 846 LYS A CA 1 \nATOM 1153 C C . LYS A 1 154 ? 7.040 28.141 20.792 1.00 38.19 ? 846 LYS A C 1 \nATOM 1154 O O . LYS A 1 154 ? 6.412 29.158 21.072 1.00 44.16 ? 846 LYS A O 1 \nATOM 1155 C CB . LYS A 1 154 ? 7.146 27.007 18.536 1.00 37.43 ? 846 LYS A CB 1 \nATOM 1156 C CG . LYS A 1 154 ? 5.735 27.380 18.068 1.00 51.46 ? 846 LYS A CG 1 \nATOM 1157 C CD . LYS A 1 154 ? 5.003 26.147 17.561 1.00 57.04 ? 846 LYS A CD 1 \nATOM 1158 C CE . LYS A 1 154 ? 4.089 26.461 16.386 1.00 75.97 ? 846 LYS A CE 1 \nATOM 1159 N NZ . LYS A 1 154 ? 2.821 27.114 16.809 1.00 61.01 ? 846 LYS A NZ 1 \nATOM 1160 N N . THR A 1 155 ? 7.130 27.085 21.599 1.00 36.95 ? 847 THR A N 1 \nATOM 1161 C CA . THR A 1 155 ? 6.734 27.118 23.010 1.00 39.96 ? 847 THR A CA 1 \nATOM 1162 C C . THR A 1 155 ? 7.791 26.344 23.785 1.00 49.25 ? 847 THR A C 1 \nATOM 1163 O O . THR A 1 155 ? 8.513 25.553 23.189 1.00 46.91 ? 847 THR A O 1 \nATOM 1164 C CB . THR A 1 155 ? 5.344 26.477 23.270 1.00 42.03 ? 847 THR A CB 1 \nATOM 1165 O OG1 . THR A 1 155 ? 5.416 25.049 23.139 1.00 40.28 ? 847 THR A OG1 1 \nATOM 1166 C CG2 . THR A 1 155 ? 4.263 27.039 22.331 1.00 47.29 ? 847 THR A CG2 1 \nATOM 1167 N N . PRO A 1 156 ? 7.901 26.572 25.111 1.00 47.74 ? 848 PRO A N 1 \nATOM 1168 C CA . PRO A 1 156 ? 8.844 25.778 25.902 1.00 44.52 ? 848 PRO A CA 1 \nATOM 1169 C C . PRO A 1 156 ? 8.762 24.277 25.619 1.00 44.91 ? 848 PRO A C 1 \nATOM 1170 O O . PRO A 1 156 ? 9.757 23.575 25.766 1.00 45.92 ? 848 PRO A O 1 \nATOM 1171 C CB . PRO A 1 156 ? 8.410 26.061 27.339 1.00 47.17 ? 848 PRO A CB 1 \nATOM 1172 C CG . PRO A 1 156 ? 7.836 27.433 27.296 1.00 54.20 ? 848 PRO A CG 1 \nATOM 1173 C CD . PRO A 1 156 ? 7.324 27.679 25.899 1.00 53.60 ? 848 PRO A CD 1 \nATOM 1174 N N . GLN A 1 157 ? 7.596 23.779 25.211 1.00 43.27 ? 849 GLN A N 1 \nATOM 1175 C CA . GLN A 1 157 ? 7.475 22.347 24.901 1.00 42.19 ? 849 GLN A CA 1 \nATOM 1176 C C . GLN A 1 157 ? 7.481 22.009 23.389 1.00 42.64 ? 849 GLN A C 1 \nATOM 1177 O O . GLN A 1 157 ? 7.190 20.866 23.001 1.00 45.37 ? 849 GLN A O 1 \nATOM 1178 C CB . GLN A 1 157 ? 6.267 21.718 25.627 1.00 58.29 ? 849 GLN A CB 1 \nATOM 1179 C CG . GLN A 1 157 ? 4.961 22.504 25.555 1.00 66.43 ? 849 GLN A CG 1 \nATOM 1180 C CD . GLN A 1 157 ? 4.884 23.642 26.570 1.00 62.36 ? 849 GLN A CD 1 \nATOM 1181 O OE1 . GLN A 1 157 ? 4.609 24.782 26.211 1.00 63.71 ? 849 GLN A OE1 1 \nATOM 1182 N NE2 . GLN A 1 157 ? 5.141 23.334 27.838 1.00 63.07 ? 849 GLN A NE2 1 \nATOM 1183 N N . HIS A 1 158 ? 7.806 22.998 22.549 1.00 43.34 ? 850 HIS A N 1 \nATOM 1184 C CA . HIS A 1 158 ? 7.827 22.837 21.080 1.00 36.09 ? 850 HIS A CA 1 \nATOM 1185 C C . HIS A 1 158 ? 8.939 23.707 20.451 1.00 35.72 ? 850 HIS A C 1 \nATOM 1186 O O . HIS A 1 158 ? 8.834 24.935 20.398 1.00 38.30 ? 850 HIS A O 1 \nATOM 1187 C CB . HIS A 1 158 ? 6.465 23.232 20.495 1.00 47.52 ? 850 HIS A CB 1 \nATOM 1188 C CG . HIS A 1 158 ? 6.285 22.897 19.044 1.00 56.05 ? 850 HIS A CG 1 \nATOM 1189 N ND1 . HIS A 1 158 ? 5.061 22.545 18.513 1.00 67.56 ? 850 HIS A ND1 1 \nATOM 1190 C CD2 . HIS A 1 158 ? 7.165 22.862 18.013 1.00 46.60 ? 850 HIS A CD2 1 \nATOM 1191 C CE1 . HIS A 1 158 ? 5.195 22.314 17.219 1.00 61.32 ? 850 HIS A CE1 1 \nATOM 1192 N NE2 . HIS A 1 158 ? 6.461 22.497 16.891 1.00 50.10 ? 850 HIS A NE2 1 \nATOM 1193 N N . VAL A 1 159 ? 9.997 23.065 19.957 1.00 30.62 ? 851 VAL A N 1 \nATOM 1194 C CA . VAL A 1 159 ? 11.119 23.801 19.316 1.00 27.66 ? 851 VAL A CA 1 \nATOM 1195 C C . VAL A 1 159 ? 11.258 23.414 17.837 1.00 29.34 ? 851 VAL A C 1 \nATOM 1196 O O . VAL A 1 159 ? 10.790 22.339 17.409 1.00 37.31 ? 851 VAL A O 1 \nATOM 1197 C CB . VAL A 1 159 ? 12.459 23.615 20.093 1.00 27.08 ? 851 VAL A CB 1 \nATOM 1198 C CG1 . VAL A 1 159 ? 12.320 24.093 21.527 1.00 28.71 ? 851 VAL A CG1 1 \nATOM 1199 C CG2 . VAL A 1 159 ? 12.917 22.166 20.074 1.00 29.61 ? 851 VAL A CG2 1 \nATOM 1200 N N . LYS A 1 160 ? 11.848 24.295 17.049 1.00 25.66 ? 852 LYS A N 1 \nATOM 1201 C CA . LYS A 1 160 ? 11.927 24.130 15.593 1.00 29.99 ? 852 LYS A CA 1 \nATOM 1202 C C . LYS A 1 160 ? 13.322 24.502 15.084 1.00 31.41 ? 852 LYS A C 1 \nATOM 1203 O O . LYS A 1 160 ? 13.919 25.461 15.577 1.00 32.82 ? 852 LYS A O 1 \nATOM 1204 C CB . LYS A 1 160 ? 10.930 25.045 14.883 1.00 29.63 ? 852 LYS A CB 1 \nATOM 1205 C CG . LYS A 1 160 ? 9.481 24.848 15.301 1.00 35.70 ? 852 LYS A CG 1 \nATOM 1206 C CD . LYS A 1 160 ? 8.547 25.799 14.559 1.00 39.50 ? 852 LYS A CD 1 \nATOM 1207 C CE . LYS A 1 160 ? 8.240 25.299 13.156 1.00 45.39 ? 852 LYS A CE 1 \nATOM 1208 N NZ . LYS A 1 160 ? 7.134 26.073 12.523 1.00 54.24 ? 852 LYS A NZ 1 \nATOM 1209 N N . ILE A 1 161 ? 13.787 23.781 14.065 1.00 27.56 ? 853 ILE A N 1 \nATOM 1210 C CA . ILE A 1 161 ? 15.114 24.014 13.466 1.00 30.12 ? 853 ILE A CA 1 \nATOM 1211 C C . ILE A 1 161 ? 15.005 25.045 12.339 1.00 31.59 ? 853 ILE A C 1 \nATOM 1212 O O . ILE A 1 161 ? 14.017 25.067 11.596 1.00 31.70 ? 853 ILE A O 1 \nATOM 1213 C CB . ILE A 1 161 ? 15.695 22.700 12.885 1.00 25.76 ? 853 ILE A CB 1 \nATOM 1214 C CG1 . ILE A 1 161 ? 15.805 21.647 13.983 1.00 26.76 ? 853 ILE A CG1 1 \nATOM 1215 C CG2 . ILE A 1 161 ? 17.031 22.964 12.191 1.00 32.39 ? 853 ILE A CG2 1 \nATOM 1216 C CD1 . ILE A 1 161 ? 15.788 20.251 13.420 1.00 36.59 ? 853 ILE A CD1 1 \nATOM 1217 N N . THR A 1 162 ? 16.008 25.909 12.237 1.00 25.25 ? 854 THR A N 1 \nATOM 1218 C CA . THR A 1 162 ? 16.073 26.896 11.179 1.00 27.24 ? 854 THR A CA 1 \nATOM 1219 C C . THR A 1 162 ? 17.503 26.936 10.582 1.00 28.06 ? 854 THR A C 1 \nATOM 1220 O O . THR A 1 162 ? 18.380 26.227 11.069 1.00 31.74 ? 854 THR A O 1 \nATOM 1221 C CB . THR A 1 162 ? 15.656 28.302 11.705 1.00 24.66 ? 854 THR A CB 1 \nATOM 1222 O OG1 . THR A 1 162 ? 15.473 29.166 10.579 1.00 25.50 ? 854 THR A OG1 1 \nATOM 1223 C CG2 . THR A 1 162 ? 16.714 28.916 12.649 1.00 28.04 ? 854 THR A CG2 1 \nATOM 1224 N N . ASP A 1 163 ? 17.692 27.727 9.517 1.00 26.22 ? 855 ASP A N 1 \nATOM 1225 C CA . ASP A 1 163 ? 19.025 28.078 8.949 1.00 33.58 ? 855 ASP A CA 1 \nATOM 1226 C C . ASP A 1 163 ? 19.662 26.928 8.139 1.00 27.70 ? 855 ASP A C 1 \nATOM 1227 O O . ASP A 1 163 ? 20.866 26.952 7.856 1.00 41.67 ? 855 ASP A O 1 \nATOM 1228 C CB . ASP A 1 163 ? 19.977 28.578 10.059 1.00 34.40 ? 855 ASP A CB 1 \nATOM 1229 C CG . ASP A 1 163 ? 20.915 29.702 9.592 1.00 43.40 ? 855 ASP A CG 1 \nATOM 1230 O OD1 . ASP A 1 163 ? 20.500 30.546 8.761 1.00 40.77 ? 855 ASP A OD1 1 \nATOM 1231 O OD2 . ASP A 1 163 ? 22.072 29.765 10.083 1.00 42.67 ? 855 ASP A OD2 1 \nATOM 1232 N N . PHE A 1 164 ? 18.848 25.931 7.775 1.00 31.84 ? 856 PHE A N 1 \nATOM 1233 C CA . PHE A 1 164 ? 19.295 24.768 6.988 1.00 27.77 ? 856 PHE A CA 1 \nATOM 1234 C C . PHE A 1 164 ? 19.514 25.134 5.526 1.00 38.25 ? 856 PHE A C 1 \nATOM 1235 O O . PHE A 1 164 ? 18.707 25.862 4.918 1.00 35.00 ? 856 PHE A O 1 \nATOM 1236 C CB . PHE A 1 164 ? 18.299 23.609 7.116 1.00 31.72 ? 856 PHE A CB 1 \nATOM 1237 C CG . PHE A 1 164 ? 16.859 24.013 6.902 1.00 37.42 ? 856 PHE A CG 1 \nATOM 1238 C CD1 . PHE A 1 164 ? 16.058 24.398 7.982 1.00 39.39 ? 856 PHE A CD1 1 \nATOM 1239 C CD2 . PHE A 1 164 ? 16.313 24.012 5.628 1.00 35.12 ? 856 PHE A CD2 1 \nATOM 1240 C CE1 . PHE A 1 164 ? 14.722 24.772 7.786 1.00 33.38 ? 856 PHE A CE1 1 \nATOM 1241 C CE2 . PHE A 1 164 ? 14.977 24.374 5.431 1.00 41.41 ? 856 PHE A CE2 1 \nATOM 1242 C CZ . PHE A 1 164 ? 14.198 24.755 6.510 1.00 31.08 ? 856 PHE A CZ 1 \nATOM 1243 N N . GLY A 1 165 ? 20.622 24.655 4.960 1.00 31.90 ? 857 GLY A N 1 \nATOM 1244 C CA . GLY A 1 165 ? 20.859 24.804 3.519 1.00 31.25 ? 857 GLY A CA 1 \nATOM 1245 C C . GLY A 1 165 ? 21.491 26.110 3.089 1.00 35.22 ? 857 GLY A C 1 \nATOM 1246 O O . GLY A 1 165 ? 21.668 26.359 1.897 1.00 36.36 ? 857 GLY A O 1 \nATOM 1247 N N . LEU A 1 166 ? 21.834 26.959 4.051 1.00 36.41 ? 858 LEU A N 1 \nATOM 1248 C CA . LEU A 1 166 ? 22.374 28.251 3.733 1.00 33.90 ? 858 LEU A CA 1 \nATOM 1249 C C . LEU A 1 166 ? 23.850 28.082 3.359 1.00 36.55 ? 858 LEU A C 1 \nATOM 1250 O O . LEU A 1 166 ? 24.343 28.746 2.449 1.00 35.70 ? 858 LEU A O 1 \nATOM 1251 C CB . LEU A 1 166 ? 22.223 29.193 4.931 1.00 41.10 ? 858 LEU A CB 1 \nATOM 1252 C CG . LEU A 1 166 ? 22.171 30.700 4.704 1.00 43.83 ? 858 LEU A CG 1 \nATOM 1253 C CD1 . LEU A 1 166 ? 21.064 31.083 3.723 1.00 46.99 ? 858 LEU A CD1 1 \nATOM 1254 C CD2 . LEU A 1 166 ? 21.948 31.375 6.046 1.00 35.64 ? 858 LEU A CD2 1 \nATOM 1255 N N . ALA A 1 167 ? 24.532 27.169 4.052 1.00 35.60 ? 859 ALA A N 1 \nATOM 1256 C CA . ALA A 1 167 ? 25.942 26.925 3.767 1.00 37.84 ? 859 ALA A CA 1 \nATOM 1257 C C . ALA A 1 167 ? 26.099 26.444 2.330 1.00 40.12 ? 859 ALA A C 1 \nATOM 1258 O O . ALA A 1 167 ? 27.072 26.801 1.659 1.00 37.50 ? 859 ALA A O 1 \nATOM 1259 C CB . ALA A 1 167 ? 26.545 25.930 4.746 1.00 34.95 ? 859 ALA A CB 1 \nATOM 1260 N N . LYS A 1 168 ? 25.133 25.648 1.851 1.00 35.37 ? 860 LYS A N 1 \nATOM 1261 C CA . LYS A 1 168 ? 25.130 25.217 0.457 1.00 40.64 ? 860 LYS A CA 1 \nATOM 1262 C C . LYS A 1 168 ? 24.865 26.396 -0.464 1.00 37.43 ? 860 LYS A C 1 \nATOM 1263 O O . LYS A 1 168 ? 25.539 26.565 -1.475 1.00 43.25 ? 860 LYS A O 1 \nATOM 1264 C CB . LYS A 1 168 ? 24.093 24.118 0.194 1.00 47.18 ? 860 LYS A CB 1 \nATOM 1265 C CG . LYS A 1 168 ? 23.823 23.875 -1.292 1.00 52.81 ? 860 LYS A CG 1 \nATOM 1266 C CD . LYS A 1 168 ? 23.407 22.442 -1.573 1.00 54.14 ? 860 LYS A CD 1 \nATOM 1267 C CE . LYS A 1 168 ? 23.585 22.101 -3.044 1.00 65.94 ? 860 LYS A CE 1 \nATOM 1268 N NZ . LYS A 1 168 ? 23.618 20.628 -3.255 1.00 73.01 ? 860 LYS A NZ 1 \nATOM 1269 N N . LEU A 1 169 ? 23.869 27.198 -0.120 1.00 35.22 ? 861 LEU A N 1 \nATOM 1270 C CA . LEU A 1 169 ? 23.469 28.302 -0.989 1.00 42.52 ? 861 LEU A CA 1 \nATOM 1271 C C . LEU A 1 169 ? 24.635 29.262 -1.217 1.00 43.31 ? 861 LEU A C 1 \nATOM 1272 O O . LEU A 1 169 ? 24.785 29.824 -2.307 1.00 42.59 ? 861 LEU A O 1 \nATOM 1273 C CB . LEU A 1 169 ? 22.281 29.042 -0.379 1.00 45.30 ? 861 LEU A CB 1 \nATOM 1274 C CG . LEU A 1 169 ? 21.724 30.283 -1.079 1.00 60.80 ? 861 LEU A CG 1 \nATOM 1275 C CD1 . LEU A 1 169 ? 21.344 29.986 -2.523 1.00 74.68 ? 861 LEU A CD1 1 \nATOM 1276 C CD2 . LEU A 1 169 ? 20.527 30.808 -0.297 1.00 46.66 ? 861 LEU A CD2 1 \nATOM 1277 N N . LEU A 1 170 ? 25.458 29.422 -0.184 1.00 43.61 ? 862 LEU A N 1 \nATOM 1278 C CA . LEU A 1 170 ? 26.554 30.390 -0.192 1.00 47.31 ? 862 LEU A CA 1 \nATOM 1279 C C . LEU A 1 170 ? 27.869 29.821 -0.747 1.00 48.26 ? 862 LEU A C 1 \nATOM 1280 O O . LEU A 1 170 ? 28.882 30.523 -0.807 1.00 49.35 ? 862 LEU A O 1 \nATOM 1281 C CB . LEU A 1 170 ? 26.749 30.970 1.218 1.00 45.15 ? 862 LEU A CB 1 \nATOM 1282 C CG . LEU A 1 170 ? 25.676 31.944 1.740 1.00 45.97 ? 862 LEU A CG 1 \nATOM 1283 C CD1 . LEU A 1 170 ? 25.961 32.300 3.191 1.00 48.31 ? 862 LEU A CD1 1 \nATOM 1284 C CD2 . LEU A 1 170 ? 25.608 33.210 0.888 1.00 47.47 ? 862 LEU A CD2 1 \nATOM 1285 N N . GLY A 1 171 ? 27.853 28.549 -1.142 1.00 49.38 ? 863 GLY A N 1 \nATOM 1286 C CA . GLY A 1 171 ? 29.018 27.916 -1.781 1.00 45.16 ? 863 GLY A CA 1 \nATOM 1287 C C . GLY A 1 171 ? 30.128 27.447 -0.847 1.00 39.80 ? 863 GLY A C 1 \nATOM 1288 O O . GLY A 1 171 ? 31.286 27.311 -1.271 1.00 50.15 ? 863 GLY A O 1 \nATOM 1289 N N . ALA A 1 172 ? 29.787 27.166 0.413 1.00 40.85 ? 864 ALA A N 1 \nATOM 1290 C CA . ALA A 1 172 ? 30.789 26.748 1.398 1.00 42.57 ? 864 ALA A CA 1 \nATOM 1291 C C . ALA A 1 172 ? 31.329 25.336 1.148 1.00 38.79 ? 864 ALA A C 1 \nATOM 1292 O O . ALA A 1 172 ? 32.211 24.884 1.866 1.00 42.81 ? 864 ALA A O 1 \nATOM 1293 C CB . ALA A 1 172 ? 30.257 26.864 2.811 1.00 41.45 ? 864 ALA A CB 1 \nATOM 1294 N N . GLU A 1 173 ? 30.779 24.650 0.148 1.00 36.82 ? 865 GLU A N 1 \nATOM 1295 C CA . GLU A 1 173 ? 31.281 23.322 -0.252 1.00 44.30 ? 865 GLU A CA 1 \nATOM 1296 C C . GLU A 1 173 ? 32.377 23.443 -1.311 1.00 47.98 ? 865 GLU A C 1 \nATOM 1297 O O . GLU A 1 173 ? 32.982 22.444 -1.707 1.00 40.23 ? 865 GLU A O 1 \nATOM 1298 C CB . GLU A 1 173 ? 30.145 22.407 -0.761 1.00 41.00 ? 865 GLU A CB 1 \nATOM 1299 C CG . GLU A 1 173 ? 29.020 22.190 0.244 1.00 53.30 ? 865 GLU A CG 1 \nATOM 1300 C CD . GLU A 1 173 ? 28.086 21.053 -0.137 1.00 66.21 ? 865 GLU A CD 1 \nATOM 1301 O OE1 . GLU A 1 173 ? 27.442 20.512 0.782 1.00 56.09 ? 865 GLU A OE1 1 \nATOM 1302 O OE2 . GLU A 1 173 ? 27.997 20.692 -1.337 1.00 63.67 ? 865 GLU A OE2 1 \nATOM 1303 N N . GLU A 1 174 ? 32.612 24.670 -1.770 1.00 47.17 ? 866 GLU A N 1 \nATOM 1304 C CA . GLU A 1 174 ? 33.608 24.955 -2.807 1.00 46.40 ? 866 GLU A CA 1 \nATOM 1305 C C . GLU A 1 174 ? 34.700 25.832 -2.210 1.00 40.98 ? 866 GLU A C 1 \nATOM 1306 O O . GLU A 1 174 ? 34.497 26.450 -1.164 1.00 38.94 ? 866 GLU A O 1 \nATOM 1307 C CB . GLU A 1 174 ? 32.956 25.644 -4.019 1.00 46.22 ? 866 GLU A CB 1 \nATOM 1308 C CG . GLU A 1 174 ? 32.102 24.730 -4.897 1.00 54.50 ? 866 GLU A CG 1 \nATOM 1309 C CD . GLU A 1 174 ? 30.714 24.468 -4.337 1.00 68.80 ? 866 GLU A CD 1 \nATOM 1310 O OE1 . GLU A 1 174 ? 30.121 23.425 -4.688 1.00 79.63 ? 866 GLU A OE1 1 \nATOM 1311 O OE2 . GLU A 1 174 ? 30.206 25.299 -3.553 1.00 68.10 ? 866 GLU A OE2 1 \nATOM 1312 N N . LYS A 1 175 ? 35.854 25.893 -2.877 1.00 37.24 ? 867 LYS A N 1 \nATOM 1313 C CA . LYS A 1 175 ? 37.036 26.539 -2.313 1.00 47.53 ? 867 LYS A CA 1 \nATOM 1314 C C . LYS A 1 175 ? 36.911 28.067 -2.320 1.00 42.85 ? 867 LYS A C 1 \nATOM 1315 O O . LYS A 1 175 ? 37.482 28.740 -1.459 1.00 40.83 ? 867 LYS A O 1 \nATOM 1316 C CB . LYS A 1 175 ? 38.325 26.074 -3.037 1.00 37.61 ? 867 LYS A CB 1 \nATOM 1317 C CG . LYS A 1 175 ? 38.432 26.433 -4.517 1.00 41.83 ? 867 LYS A CG 1 \nATOM 1318 C CD . LYS A 1 175 ? 39.175 25.359 -5.323 1.00 39.74 ? 867 LYS A CD 1 \nATOM 1319 C CE . LYS A 1 175 ? 38.867 25.438 -6.819 1.00 39.65 ? 867 LYS A CE 1 \nATOM 1320 N NZ . LYS A 1 175 ? 37.395 25.435 -7.144 1.00 43.75 ? 867 LYS A NZ 1 \nATOM 1321 N N . GLU A 1 176 ? 36.150 28.584 -3.288 1.00 40.06 ? 868 GLU A N 1 \nATOM 1322 C CA . GLU A 1 176 ? 36.053 30.019 -3.559 1.00 46.64 ? 868 GLU A CA 1 \nATOM 1323 C C . GLU A 1 176 ? 35.553 30.809 -2.344 1.00 48.10 ? 868 GLU A C 1 \nATOM 1324 O O . GLU A 1 176 ? 36.168 31.809 -1.964 1.00 42.32 ? 868 GLU A O 1 \nATOM 1325 C CB . GLU A 1 176 ? 35.192 30.281 -4.806 1.00 51.74 ? 868 GLU A CB 1 \nATOM 1326 C CG . GLU A 1 176 ? 35.891 29.990 -6.136 1.00 53.17 ? 868 GLU A CG 1 \nATOM 1327 C CD . GLU A 1 176 ? 35.976 28.505 -6.493 1.00 55.69 ? 868 GLU A CD 1 \nATOM 1328 O OE1 . GLU A 1 176 ? 35.179 27.686 -5.971 1.00 42.46 ? 868 GLU A OE1 1 \nATOM 1329 O OE2 . GLU A 1 176 ? 36.850 28.153 -7.324 1.00 48.42 ? 868 GLU A OE2 1 \nATOM 1330 N N . TYR A 1 177 ? 34.454 30.346 -1.739 1.00 45.27 ? 869 TYR A N 1 \nATOM 1331 C CA . TYR A 1 177 ? 33.932 30.900 -0.471 1.00 44.49 ? 869 TYR A CA 1 \nATOM 1332 C C . TYR A 1 177 ? 35.024 31.102 0.592 1.00 48.57 ? 869 TYR A C 1 \nATOM 1333 O O . TYR A 1 177 ? 35.104 32.164 1.215 1.00 44.29 ? 869 TYR A O 1 \nATOM 1334 C CB . TYR A 1 177 ? 32.801 29.997 0.082 1.00 48.00 ? 869 TYR A CB 1 \nATOM 1335 C CG . TYR A 1 177 ? 32.241 30.446 1.420 1.00 43.34 ? 869 TYR A CG 1 \nATOM 1336 C CD1 . TYR A 1 177 ? 32.588 29.791 2.597 1.00 37.95 ? 869 TYR A CD1 1 \nATOM 1337 C CD2 . TYR A 1 177 ? 31.372 31.544 1.509 1.00 44.45 ? 869 TYR A CD2 1 \nATOM 1338 C CE1 . TYR A 1 177 ? 32.083 30.202 3.827 1.00 37.47 ? 869 TYR A CE1 1 \nATOM 1339 C CE2 . TYR A 1 177 ? 30.878 31.968 2.739 1.00 42.96 ? 869 TYR A CE2 1 \nATOM 1340 C CZ . TYR A 1 177 ? 31.234 31.291 3.891 1.00 42.37 ? 869 TYR A CZ 1 \nATOM 1341 O OH . TYR A 1 177 ? 30.756 31.702 5.118 1.00 42.81 ? 869 TYR A OH 1 \nATOM 1342 N N . HIS A 1 178 ? 35.870 30.090 0.777 1.00 42.45 ? 870 HIS A N 1 \nATOM 1343 C CA . HIS A 1 178 ? 36.910 30.105 1.819 1.00 39.96 ? 870 HIS A CA 1 \nATOM 1344 C C . HIS A 1 178 ? 38.101 30.984 1.432 1.00 48.03 ? 870 HIS A C 1 \nATOM 1345 O O . HIS A 1 178 ? 38.716 31.644 2.285 1.00 44.35 ? 870 HIS A O 1 \nATOM 1346 C CB . HIS A 1 178 ? 37.352 28.671 2.130 1.00 43.61 ? 870 HIS A CB 1 \nATOM 1347 C CG . HIS A 1 178 ? 36.249 27.816 2.689 1.00 45.24 ? 870 HIS A CG 1 \nATOM 1348 N ND1 . HIS A 1 178 ? 35.330 27.165 1.891 1.00 48.50 ? 870 HIS A ND1 1 \nATOM 1349 C CD2 . HIS A 1 178 ? 35.909 27.525 3.966 1.00 41.55 ? 870 HIS A CD2 1 \nATOM 1350 C CE1 . HIS A 1 178 ? 34.478 26.501 2.653 1.00 40.12 ? 870 HIS A CE1 1 \nATOM 1351 N NE2 . HIS A 1 178 ? 34.803 26.708 3.917 1.00 54.39 ? 870 HIS A NE2 1 \nATOM 1352 N N . ALA A 1 179 ? 38.424 30.987 0.142 1.00 48.53 ? 871 ALA A N 1 \nATOM 1353 C CA . ALA A 1 179 ? 39.483 31.851 -0.386 1.00 52.92 ? 871 ALA A CA 1 \nATOM 1354 C C . ALA A 1 179 ? 39.090 33.330 -0.289 1.00 57.64 ? 871 ALA A C 1 \nATOM 1355 O O . ALA A 1 179 ? 39.955 34.191 -0.122 1.00 49.04 ? 871 ALA A O 1 \nATOM 1356 C CB . ALA A 1 179 ? 39.812 31.468 -1.828 1.00 50.28 ? 871 ALA A CB 1 \nATOM 1357 N N . GLU A 1 180 ? 37.784 33.610 -0.363 1.00 52.01 ? 872 GLU A N 1 \nATOM 1358 C CA . GLU A 1 180 ? 37.262 34.982 -0.336 1.00 56.03 ? 872 GLU A CA 1 \nATOM 1359 C C . GLU A 1 180 ? 36.943 35.500 1.077 1.00 59.17 ? 872 GLU A C 1 \nATOM 1360 O O . GLU A 1 180 ? 36.239 36.500 1.231 1.00 61.85 ? 872 GLU A O 1 \nATOM 1361 C CB . GLU A 1 180 ? 36.029 35.099 -1.244 1.00 68.02 ? 872 GLU A CB 1 \nATOM 1362 C CG . GLU A 1 180 ? 36.346 35.099 -2.734 1.00 77.21 ? 872 GLU A CG 1 \nATOM 1363 C CD . GLU A 1 180 ? 35.157 34.711 -3.601 1.00 97.81 ? 872 GLU A CD 1 \nATOM 1364 O OE1 . GLU A 1 180 ? 34.010 35.092 -3.275 1.00 102.61 ? 872 GLU A OE1 1 \nATOM 1365 O OE2 . GLU A 1 180 ? 35.372 34.023 -4.622 1.00 97.00 ? 872 GLU A OE2 1 \nATOM 1366 N N . GLY A 1 181 ? 37.469 34.823 2.098 1.00 58.69 ? 873 GLY A N 1 \nATOM 1367 C CA . GLY A 1 181 ? 37.326 35.262 3.487 1.00 54.40 ? 873 GLY A CA 1 \nATOM 1368 C C . GLY A 1 181 ? 36.155 34.670 4.258 1.00 44.99 ? 873 GLY A C 1 \nATOM 1369 O O . GLY A 1 181 ? 35.994 34.948 5.449 1.00 46.72 ? 873 GLY A O 1 \nATOM 1370 N N . GLY A 1 182 ? 35.348 33.841 3.597 1.00 41.02 ? 874 GLY A N 1 \nATOM 1371 C CA . GLY A 1 182 ? 34.156 33.248 4.231 1.00 46.70 ? 874 GLY A CA 1 \nATOM 1372 C C . GLY A 1 182 ? 34.533 32.316 5.367 1.00 46.89 ? 874 GLY A C 1 \nATOM 1373 O O . GLY A 1 182 ? 35.565 31.640 5.303 1.00 38.65 ? 874 GLY A O 1 \nATOM 1374 N N . LYS A 1 183 ? 33.707 32.283 6.417 1.00 40.97 ? 875 LYS A N 1 \nATOM 1375 C CA . LYS A 1 183 ? 33.971 31.414 7.573 1.00 44.70 ? 875 LYS A CA 1 \nATOM 1376 C C . LYS A 1 183 ? 32.851 30.407 7.758 1.00 45.71 ? 875 LYS A C 1 \nATOM 1377 O O . LYS A 1 183 ? 31.728 30.605 7.264 1.00 42.27 ? 875 LYS A O 1 \nATOM 1378 C CB . LYS A 1 183 ? 34.153 32.227 8.861 1.00 57.63 ? 875 LYS A CB 1 \nATOM 1379 C CG . LYS A 1 183 ? 35.303 33.225 8.833 1.00 64.74 ? 875 LYS A CG 1 \nATOM 1380 C CD . LYS A 1 183 ? 36.627 32.601 9.255 1.00 68.35 ? 875 LYS A CD 1 \nATOM 1381 C CE . LYS A 1 183 ? 37.710 33.669 9.334 1.00 73.60 ? 875 LYS A CE 1 \nATOM 1382 N NZ . LYS A 1 183 ? 38.878 33.251 10.159 1.00 70.79 ? 875 LYS A NZ 1 \nATOM 1383 N N . VAL A 1 184 ? 33.178 29.320 8.449 1.00 41.20 ? 876 VAL A N 1 \nATOM 1384 C CA . VAL A 1 184 ? 32.211 28.241 8.736 1.00 40.30 ? 876 VAL A CA 1 \nATOM 1385 C C . VAL A 1 184 ? 32.294 27.905 10.232 1.00 36.00 ? 876 VAL A C 1 \nATOM 1386 O O . VAL A 1 184 ? 33.310 28.204 10.880 1.00 41.42 ? 876 VAL A O 1 \nATOM 1387 C CB . VAL A 1 184 ? 32.448 26.993 7.845 1.00 35.33 ? 876 VAL A CB 1 \nATOM 1388 C CG1 . VAL A 1 184 ? 31.864 27.218 6.452 1.00 38.11 ? 876 VAL A CG1 1 \nATOM 1389 C CG2 . VAL A 1 184 ? 33.937 26.669 7.743 1.00 40.25 ? 876 VAL A CG2 1 \nATOM 1390 N N . PRO A 1 185 ? 31.232 27.304 10.788 1.00 36.65 ? 877 PRO A N 1 \nATOM 1391 C CA . PRO A 1 185 ? 31.168 27.085 12.243 1.00 32.43 ? 877 PRO A CA 1 \nATOM 1392 C C . PRO A 1 185 ? 31.989 25.871 12.669 1.00 33.61 ? 877 PRO A C 1 \nATOM 1393 O O . PRO A 1 185 ? 31.446 24.822 12.981 1.00 29.15 ? 877 PRO A O 1 \nATOM 1394 C CB . PRO A 1 185 ? 29.664 26.864 12.491 1.00 35.69 ? 877 PRO A CB 1 \nATOM 1395 C CG . PRO A 1 185 ? 29.144 26.302 11.211 1.00 33.67 ? 877 PRO A CG 1 \nATOM 1396 C CD . PRO A 1 185 ? 29.979 26.910 10.106 1.00 41.66 ? 877 PRO A CD 1 \nATOM 1397 N N . ILE A 1 186 ? 33.310 26.025 12.729 1.00 27.90 ? 878 ILE A N 1 \nATOM 1398 C CA . ILE A 1 186 ? 34.195 24.889 12.915 1.00 32.46 ? 878 ILE A CA 1 \nATOM 1399 C C . ILE A 1 186 ? 33.910 24.020 14.142 1.00 28.85 ? 878 ILE A C 1 \nATOM 1400 O O . ILE A 1 186 ? 34.082 22.801 14.086 1.00 28.98 ? 878 ILE A O 1 \nATOM 1401 C CB . ILE A 1 186 ? 35.683 25.345 12.980 1.00 32.09 ? 878 ILE A CB 1 \nATOM 1402 C CG1 . ILE A 1 186 ? 36.148 25.881 11.621 1.00 36.30 ? 878 ILE A CG1 1 \nATOM 1403 C CG2 . ILE A 1 186 ? 36.569 24.207 13.469 1.00 32.69 ? 878 ILE A CG2 1 \nATOM 1404 C CD1 . ILE A 1 186 ? 36.435 24.842 10.543 1.00 39.95 ? 878 ILE A CD1 1 \nATOM 1405 N N . LYS A 1 187 ? 33.533 24.645 15.259 1.00 29.60 ? 879 LYS A N 1 \nATOM 1406 C CA . LYS A 1 187 ? 33.367 23.911 16.510 1.00 26.22 ? 879 LYS A CA 1 \nATOM 1407 C C . LYS A 1 187 ? 32.094 23.034 16.526 1.00 24.84 ? 879 LYS A C 1 \nATOM 1408 O O . LYS A 1 187 ? 31.891 22.260 17.448 1.00 28.78 ? 879 LYS A O 1 \nATOM 1409 C CB . LYS A 1 187 ? 33.430 24.858 17.716 1.00 28.83 ? 879 LYS A CB 1 \nATOM 1410 C CG . LYS A 1 187 ? 34.842 25.401 17.951 1.00 38.19 ? 879 LYS A CG 1 \nATOM 1411 C CD . LYS A 1 187 ? 34.830 26.562 18.934 1.00 40.19 ? 879 LYS A CD 1 \nATOM 1412 C CE . LYS A 1 187 ? 36.246 27.029 19.228 1.00 32.84 ? 879 LYS A CE 1 \nATOM 1413 N NZ . LYS A 1 187 ? 36.263 28.136 20.240 1.00 34.70 ? 879 LYS A NZ 1 \nATOM 1414 N N . TRP A 1 188 ? 31.280 23.157 15.489 1.00 24.85 ? 880 TRP A N 1 \nATOM 1415 C CA . TRP A 1 188 ? 30.110 22.292 15.307 1.00 31.64 ? 880 TRP A CA 1 \nATOM 1416 C C . TRP A 1 188 ? 30.306 21.259 14.183 1.00 30.59 ? 880 TRP A C 1 \nATOM 1417 O O . TRP A 1 188 ? 29.457 20.390 13.978 1.00 34.02 ? 880 TRP A O 1 \nATOM 1418 C CB . TRP A 1 188 ? 28.878 23.149 15.031 1.00 27.14 ? 880 TRP A CB 1 \nATOM 1419 C CG . TRP A 1 188 ? 28.339 23.795 16.290 1.00 28.73 ? 880 TRP A CG 1 \nATOM 1420 C CD1 . TRP A 1 188 ? 27.276 23.367 17.051 1.00 28.66 ? 880 TRP A CD1 1 \nATOM 1421 C CD2 . TRP A 1 188 ? 28.859 24.962 16.945 1.00 31.97 ? 880 TRP A CD2 1 \nATOM 1422 N NE1 . TRP A 1 188 ? 27.115 24.199 18.138 1.00 28.60 ? 880 TRP A NE1 1 \nATOM 1423 C CE2 . TRP A 1 188 ? 28.064 25.190 18.091 1.00 30.62 ? 880 TRP A CE2 1 \nATOM 1424 C CE3 . TRP A 1 188 ? 29.917 25.850 16.662 1.00 31.59 ? 880 TRP A CE3 1 \nATOM 1425 C CZ2 . TRP A 1 188 ? 28.291 26.276 18.965 1.00 31.23 ? 880 TRP A CZ2 1 \nATOM 1426 C CZ3 . TRP A 1 188 ? 30.154 26.923 17.542 1.00 30.88 ? 880 TRP A CZ3 1 \nATOM 1427 C CH2 . TRP A 1 188 ? 29.358 27.112 18.676 1.00 25.65 ? 880 TRP A CH2 1 \nATOM 1428 N N . MET A 1 189 ? 31.427 21.349 13.460 1.00 27.44 ? 881 MET A N 1 \nATOM 1429 C CA . MET A 1 189 ? 31.540 20.623 12.193 1.00 26.86 ? 881 MET A CA 1 \nATOM 1430 C C . MET A 1 189 ? 32.150 19.249 12.353 1.00 28.50 ? 881 MET A C 1 \nATOM 1431 O O . MET A 1 189 ? 33.062 19.068 13.159 1.00 28.72 ? 881 MET A O 1 \nATOM 1432 C CB . MET A 1 189 ? 32.326 21.432 11.154 1.00 29.39 ? 881 MET A CB 1 \nATOM 1433 C CG . MET A 1 189 ? 31.563 22.600 10.554 1.00 32.10 ? 881 MET A CG 1 \nATOM 1434 S SD . MET A 1 189 ? 32.705 23.710 9.728 1.00 36.98 ? 881 MET A SD 1 \nATOM 1435 C CE . MET A 1 189 ? 33.274 22.696 8.370 1.00 32.20 ? 881 MET A CE 1 \nATOM 1436 N N . ALA A 1 190 ? 31.666 18.280 11.573 1.00 27.59 ? 882 ALA A N 1 \nATOM 1437 C CA . ALA A 1 190 ? 32.274 16.941 11.583 1.00 23.42 ? 882 ALA A CA 1 \nATOM 1438 C C . ALA A 1 190 ? 33.701 17.054 11.025 1.00 26.24 ? 882 ALA A C 1 \nATOM 1439 O O . ALA A 1 190 ? 33.983 17.914 10.193 1.00 25.83 ? 882 ALA A O 1 \nATOM 1440 C CB . ALA A 1 190 ? 31.483 15.966 10.710 1.00 21.36 ? 882 ALA A CB 1 \nATOM 1441 N N . LEU A 1 191 ? 34.575 16.153 11.432 1.00 29.23 ? 883 LEU A N 1 \nATOM 1442 C CA . LEU A 1 191 ? 35.973 16.210 10.953 1.00 30.11 ? 883 LEU A CA 1 \nATOM 1443 C C . LEU A 1 191 ? 36.095 16.155 9.415 1.00 31.93 ? 883 LEU A C 1 \nATOM 1444 O O . LEU A 1 191 ? 36.886 16.913 8.820 1.00 28.83 ? 883 LEU A O 1 \nATOM 1445 C CB . LEU A 1 191 ? 36.804 15.101 11.603 1.00 29.10 ? 883 LEU A CB 1 \nATOM 1446 C CG . LEU A 1 191 ? 38.327 15.214 11.398 1.00 28.93 ? 883 LEU A CG 1 \nATOM 1447 C CD1 . LEU A 1 191 ? 38.797 16.632 11.665 1.00 33.97 ? 883 LEU A CD1 1 \nATOM 1448 C CD2 . LEU A 1 191 ? 39.017 14.211 12.293 1.00 29.31 ? 883 LEU A CD2 1 \nATOM 1449 N N . GLU A 1 192 ? 35.311 15.288 8.761 1.00 21.95 ? 884 GLU A N 1 \nATOM 1450 C CA . GLU A 1 192 ? 35.344 15.209 7.296 1.00 22.92 ? 884 GLU A CA 1 \nATOM 1451 C C . GLU A 1 192 ? 34.876 16.508 6.591 1.00 26.17 ? 884 GLU A C 1 \nATOM 1452 O O . GLU A 1 192 ? 35.268 16.778 5.447 1.00 24.35 ? 884 GLU A O 1 \nATOM 1453 C CB . GLU A 1 192 ? 34.646 13.943 6.753 1.00 26.86 ? 884 GLU A CB 1 \nATOM 1454 C CG . GLU A 1 192 ? 33.105 13.951 6.895 1.00 27.94 ? 884 GLU A CG 1 \nATOM 1455 C CD . GLU A 1 192 ? 32.564 13.567 8.273 1.00 29.05 ? 884 GLU A CD 1 \nATOM 1456 O OE1 . GLU A 1 192 ? 33.301 13.408 9.265 1.00 25.06 ? 884 GLU A OE1 1 \nATOM 1457 O OE2 . GLU A 1 192 ? 31.319 13.447 8.409 1.00 23.90 ? 884 GLU A OE2 1 \nATOM 1458 N N . SER A 1 193 ? 34.033 17.294 7.263 1.00 30.81 ? 885 SER A N 1 \nATOM 1459 C CA . SER A 1 193 ? 33.587 18.585 6.721 1.00 25.73 ? 885 SER A CA 1 \nATOM 1460 C C . SER A 1 193 ? 34.723 19.608 6.802 1.00 27.51 ? 885 SER A C 1 \nATOM 1461 O O . SER A 1 193 ? 34.939 20.392 5.877 1.00 29.16 ? 885 SER A O 1 \nATOM 1462 C CB . SER A 1 193 ? 32.382 19.102 7.520 1.00 26.41 ? 885 SER A CB 1 \nATOM 1463 O OG . SER A 1 193 ? 31.330 18.146 7.461 1.00 29.44 ? 885 SER A OG 1 \nATOM 1464 N N . ILE A 1 194 ? 35.414 19.578 7.929 1.00 25.32 ? 886 ILE A N 1 \nATOM 1465 C CA . ILE A 1 194 ? 36.574 20.454 8.176 1.00 30.05 ? 886 ILE A CA 1 \nATOM 1466 C C . ILE A 1 194 ? 37.659 20.144 7.152 1.00 30.18 ? 886 ILE A C 1 \nATOM 1467 O O . ILE A 1 194 ? 38.150 21.055 6.475 1.00 32.84 ? 886 ILE A O 1 \nATOM 1468 C CB . ILE A 1 194 ? 37.110 20.303 9.615 1.00 36.22 ? 886 ILE A CB 1 \nATOM 1469 C CG1 . ILE A 1 194 ? 36.049 20.780 10.634 1.00 31.72 ? 886 ILE A CG1 1 \nATOM 1470 C CG2 . ILE A 1 194 ? 38.400 21.107 9.804 1.00 32.89 ? 886 ILE A CG2 1 \nATOM 1471 C CD1 . ILE A 1 194 ? 36.393 20.470 12.086 1.00 30.73 ? 886 ILE A CD1 1 \nATOM 1472 N N . LEU A 1 195 ? 37.993 18.853 6.989 1.00 31.51 ? 887 LEU A N 1 \nATOM 1473 C CA . LEU A 1 195 ? 39.125 18.443 6.148 1.00 34.19 ? 887 LEU A CA 1 \nATOM 1474 C C . LEU A 1 195 ? 38.849 18.409 4.655 1.00 36.04 ? 887 LEU A C 1 \nATOM 1475 O O . LEU A 1 195 ? 39.732 18.687 3.891 1.00 26.34 ? 887 LEU A O 1 \nATOM 1476 C CB . LEU A 1 195 ? 39.729 17.097 6.600 1.00 30.53 ? 887 LEU A CB 1 \nATOM 1477 C CG . LEU A 1 195 ? 40.150 17.042 8.077 1.00 39.64 ? 887 LEU A CG 1 \nATOM 1478 C CD1 . LEU A 1 195 ? 40.469 15.608 8.488 1.00 38.89 ? 887 LEU A CD1 1 \nATOM 1479 C CD2 . LEU A 1 195 ? 41.336 17.967 8.366 1.00 35.87 ? 887 LEU A CD2 1 \nATOM 1480 N N . HIS A 1 196 ? 37.628 18.086 4.233 1.00 26.10 ? 888 HIS A N 1 \nATOM 1481 C CA . HIS A 1 196 ? 37.369 17.835 2.818 1.00 24.98 ? 888 HIS A CA 1 \nATOM 1482 C C . HIS A 1 196 ? 36.058 18.409 2.302 1.00 28.24 ? 888 HIS A C 1 \nATOM 1483 O O . HIS A 1 196 ? 35.654 18.072 1.186 1.00 27.84 ? 888 HIS A O 1 \nATOM 1484 C CB . HIS A 1 196 ? 37.363 16.319 2.542 1.00 29.19 ? 888 HIS A CB 1 \nATOM 1485 C CG . HIS A 1 196 ? 38.705 15.681 2.728 1.00 31.15 ? 888 HIS A CG 1 \nATOM 1486 N ND1 . HIS A 1 196 ? 39.739 15.857 1.835 1.00 34.56 ? 888 HIS A ND1 1 \nATOM 1487 C CD2 . HIS A 1 196 ? 39.188 14.892 3.718 1.00 31.38 ? 888 HIS A CD2 1 \nATOM 1488 C CE1 . HIS A 1 196 ? 40.807 15.208 2.270 1.00 34.69 ? 888 HIS A CE1 1 \nATOM 1489 N NE2 . HIS A 1 196 ? 40.496 14.601 3.401 1.00 35.08 ? 888 HIS A NE2 1 \nATOM 1490 N N . ARG A 1 197 ? 35.422 19.255 3.114 1.00 25.02 ? 889 ARG A N 1 \nATOM 1491 C CA . ARG A 1 197 ? 34.179 19.942 2.731 1.00 32.39 ? 889 ARG A CA 1 \nATOM 1492 C C . ARG A 1 197 ? 33.118 18.923 2.370 1.00 26.78 ? 889 ARG A C 1 \nATOM 1493 O O . ARG A 1 197 ? 32.276 19.159 1.484 1.00 29.23 ? 889 ARG A O 1 \nATOM 1494 C CB . ARG A 1 197 ? 34.429 20.930 1.578 1.00 31.37 ? 889 ARG A CB 1 \nATOM 1495 C CG . ARG A 1 197 ? 35.516 21.943 1.891 1.00 33.25 ? 889 ARG A CG 1 \nATOM 1496 C CD . ARG A 1 197 ? 35.608 22.980 0.779 1.00 39.11 ? 889 ARG A CD 1 \nATOM 1497 N NE . ARG A 1 197 ? 36.544 24.044 1.105 1.00 37.65 ? 889 ARG A NE 1 \nATOM 1498 C CZ . ARG A 1 197 ? 37.701 24.266 0.468 1.00 46.93 ? 889 ARG A CZ 1 \nATOM 1499 N NH1 . ARG A 1 197 ? 38.074 23.526 -0.570 1.00 38.03 ? 889 ARG A NH1 1 \nATOM 1500 N NH2 . ARG A 1 197 ? 38.476 25.267 0.846 1.00 40.00 ? 889 ARG A NH2 1 \nATOM 1501 N N . ILE A 1 198 ? 33.175 17.774 3.039 1.00 26.13 ? 890 ILE A N 1 \nATOM 1502 C CA . ILE A 1 198 ? 32.145 16.730 2.876 1.00 29.66 ? 890 ILE A CA 1 \nATOM 1503 C C . ILE A 1 198 ? 31.018 17.016 3.855 1.00 26.43 ? 890 ILE A C 1 \nATOM 1504 O O . ILE A 1 198 ? 31.245 17.066 5.063 1.00 26.43 ? 890 ILE A O 1 \nATOM 1505 C CB . ILE A 1 198 ? 32.701 15.296 3.144 1.00 29.59 ? 890 ILE A CB 1 \nATOM 1506 C CG1 . ILE A 1 198 ? 33.716 14.901 2.071 1.00 34.56 ? 890 ILE A CG1 1 \nATOM 1507 C CG2 . ILE A 1 198 ? 31.564 14.262 3.147 1.00 26.41 ? 890 ILE A CG2 1 \nATOM 1508 C CD1 . ILE A 1 198 ? 34.686 13.798 2.502 1.00 27.38 ? 890 ILE A CD1 1 \nATOM 1509 N N . TYR A 1 199 ? 29.787 17.135 3.328 1.00 27.40 ? 891 TYR A N 1 \nATOM 1510 C CA . TYR A 1 199 ? 28.606 17.370 4.144 1.00 29.79 ? 891 TYR A CA 1 \nATOM 1511 C C . TYR A 1 199 ? 27.537 16.381 3.726 1.00 26.49 ? 891 TYR A C 1 \nATOM 1512 O O . TYR A 1 199 ? 27.188 16.314 2.550 1.00 29.21 ? 891 TYR A O 1 \nATOM 1513 C CB . TYR A 1 199 ? 28.046 18.756 3.884 1.00 31.16 ? 891 TYR A CB 1 \nATOM 1514 C CG . TYR A 1 199 ? 28.844 19.897 4.436 1.00 32.59 ? 891 TYR A CG 1 \nATOM 1515 C CD1 . TYR A 1 199 ? 28.639 20.341 5.751 1.00 30.54 ? 891 TYR A CD1 1 \nATOM 1516 C CD2 . TYR A 1 199 ? 29.797 20.548 3.648 1.00 32.80 ? 891 TYR A CD2 1 \nATOM 1517 C CE1 . TYR A 1 199 ? 29.363 21.411 6.254 1.00 37.58 ? 891 TYR A CE1 1 \nATOM 1518 C CE2 . TYR A 1 199 ? 30.514 21.623 4.141 1.00 34.48 ? 891 TYR A CE2 1 \nATOM 1519 C CZ . TYR A 1 199 ? 30.291 22.043 5.443 1.00 35.46 ? 891 TYR A CZ 1 \nATOM 1520 O OH . TYR A 1 199 ? 30.976 23.117 5.945 1.00 42.40 ? 891 TYR A OH 1 \nATOM 1521 N N . THR A 1 200 ? 27.092 15.591 4.699 1.00 27.14 ? 892 THR A N 1 \nATOM 1522 C CA . THR A 1 200 ? 26.052 14.573 4.503 1.00 28.00 ? 892 THR A CA 1 \nATOM 1523 C C . THR A 1 200 ? 25.132 14.670 5.688 1.00 24.99 ? 892 THR A C 1 \nATOM 1524 O O . THR A 1 200 ? 25.394 15.437 6.647 1.00 24.52 ? 892 THR A O 1 \nATOM 1525 C CB . THR A 1 200 ? 26.656 13.161 4.529 1.00 24.93 ? 892 THR A CB 1 \nATOM 1526 O OG1 . THR A 1 200 ? 27.152 12.906 5.842 1.00 26.37 ? 892 THR A OG1 1 \nATOM 1527 C CG2 . THR A 1 200 ? 27.808 13.012 3.492 1.00 29.56 ? 892 THR A CG2 1 \nATOM 1528 N N . HIS A 1 201 ? 24.060 13.868 5.664 1.00 26.44 ? 893 HIS A N 1 \nATOM 1529 C CA . HIS A 1 201 ? 23.230 13.753 6.839 1.00 29.70 ? 893 HIS A CA 1 \nATOM 1530 C C . HIS A 1 201 ? 23.987 13.219 8.061 1.00 24.12 ? 893 HIS A C 1 \nATOM 1531 O O . HIS A 1 201 ? 23.680 13.585 9.197 1.00 22.63 ? 893 HIS A O 1 \nATOM 1532 C CB . HIS A 1 201 ? 21.929 12.993 6.484 1.00 25.97 ? 893 HIS A CB 1 \nATOM 1533 C CG . HIS A 1 201 ? 21.172 13.679 5.386 1.00 27.52 ? 893 HIS A CG 1 \nATOM 1534 N ND1 . HIS A 1 201 ? 20.529 14.883 5.575 1.00 28.59 ? 893 HIS A ND1 1 \nATOM 1535 C CD2 . HIS A 1 201 ? 21.051 13.390 4.069 1.00 28.83 ? 893 HIS A CD2 1 \nATOM 1536 C CE1 . HIS A 1 201 ? 20.035 15.299 4.425 1.00 27.39 ? 893 HIS A CE1 1 \nATOM 1537 N NE2 . HIS A 1 201 ? 20.298 14.394 3.505 1.00 32.49 ? 893 HIS A NE2 1 \nATOM 1538 N N . GLN A 1 202 ? 25.059 12.470 7.828 1.00 26.66 ? 894 GLN A N 1 \nATOM 1539 C CA . GLN A 1 202 ? 25.919 11.997 8.926 1.00 29.47 ? 894 GLN A CA 1 \nATOM 1540 C C . GLN A 1 202 ? 26.906 13.056 9.499 1.00 26.86 ? 894 GLN A C 1 \nATOM 1541 O O . GLN A 1 202 ? 27.298 12.991 10.667 1.00 22.97 ? 894 GLN A O 1 \nATOM 1542 C CB . GLN A 1 202 ? 26.654 10.708 8.491 1.00 27.17 ? 894 GLN A CB 1 \nATOM 1543 C CG . GLN A 1 202 ? 25.705 9.525 8.192 1.00 24.91 ? 894 GLN A CG 1 \nATOM 1544 C CD . GLN A 1 202 ? 24.783 9.234 9.369 1.00 30.07 ? 894 GLN A CD 1 \nATOM 1545 O OE1 . GLN A 1 202 ? 23.581 9.588 9.349 1.00 27.00 ? 894 GLN A OE1 1 \nATOM 1546 N NE2 . GLN A 1 202 ? 25.334 8.605 10.418 1.00 27.72 ? 894 GLN A NE2 1 \nATOM 1547 N N . SER A 1 203 ? 27.288 14.034 8.695 1.00 24.14 ? 895 SER A N 1 \nATOM 1548 C CA . SER A 1 203 ? 27.927 15.211 9.257 1.00 27.27 ? 895 SER A CA 1 \nATOM 1549 C C . SER A 1 203 ? 26.958 16.056 10.075 1.00 27.74 ? 895 SER A C 1 \nATOM 1550 O O . SER A 1 203 ? 27.372 16.618 11.077 1.00 25.43 ? 895 SER A O 1 \nATOM 1551 C CB . SER A 1 203 ? 28.699 16.026 8.208 1.00 31.60 ? 895 SER A CB 1 \nATOM 1552 O OG . SER A 1 203 ? 27.862 16.621 7.234 1.00 25.89 ? 895 SER A OG 1 \nATOM 1553 N N . ASP A 1 204 ? 25.672 16.123 9.675 1.00 26.73 ? 896 ASP A N 1 \nATOM 1554 C CA . ASP A 1 204 ? 24.643 16.770 10.518 1.00 24.53 ? 896 ASP A CA 1 \nATOM 1555 C C . ASP A 1 204 ? 24.481 16.058 11.860 1.00 20.29 ? 896 ASP A C 1 \nATOM 1556 O O . ASP A 1 204 ? 24.275 16.687 12.887 1.00 22.46 ? 896 ASP A O 1 \nATOM 1557 C CB . ASP A 1 204 ? 23.246 16.817 9.833 1.00 28.43 ? 896 ASP A CB 1 \nATOM 1558 C CG . ASP A 1 204 ? 23.121 17.900 8.737 1.00 31.24 ? 896 ASP A CG 1 \nATOM 1559 O OD1 . ASP A 1 204 ? 22.115 17.834 7.982 1.00 27.91 ? 896 ASP A OD1 1 \nATOM 1560 O OD2 . ASP A 1 204 ? 23.997 18.781 8.573 1.00 26.34 ? 896 ASP A OD2 1 \nATOM 1561 N N . VAL A 1 205 ? 24.598 14.736 11.846 1.00 20.23 ? 897 VAL A N 1 \nATOM 1562 C CA . VAL A 1 205 ? 24.610 13.991 13.102 1.00 19.28 ? 897 VAL A CA 1 \nATOM 1563 C C . VAL A 1 205 ? 25.629 14.450 14.120 1.00 25.81 ? 897 VAL A C 1 \nATOM 1564 O O . VAL A 1 205 ? 25.320 14.560 15.295 1.00 22.78 ? 897 VAL A O 1 \nATOM 1565 C CB . VAL A 1 205 ? 24.658 12.448 12.868 1.00 19.54 ? 897 VAL A CB 1 \nATOM 1566 C CG1 . VAL A 1 205 ? 24.843 11.704 14.183 1.00 19.88 ? 897 VAL A CG1 1 \nATOM 1567 C CG2 . VAL A 1 205 ? 23.325 11.945 12.233 1.00 24.43 ? 897 VAL A CG2 1 \nATOM 1568 N N . TRP A 1 206 ? 26.864 14.693 13.659 1.00 21.20 ? 898 TRP A N 1 \nATOM 1569 C CA . TRP A 1 206 ? 27.927 15.223 14.521 1.00 24.82 ? 898 TRP A CA 1 \nATOM 1570 C C . TRP A 1 206 ? 27.505 16.541 15.151 1.00 23.28 ? 898 TRP A C 1 \nATOM 1571 O O . TRP A 1 206 ? 27.615 16.712 16.379 1.00 21.81 ? 898 TRP A O 1 \nATOM 1572 C CB . TRP A 1 206 ? 29.205 15.401 13.666 1.00 22.74 ? 898 TRP A CB 1 \nATOM 1573 C CG . TRP A 1 206 ? 30.380 15.970 14.398 1.00 20.42 ? 898 TRP A CG 1 \nATOM 1574 C CD1 . TRP A 1 206 ? 30.466 17.185 15.058 1.00 24.29 ? 898 TRP A CD1 1 \nATOM 1575 C CD2 . TRP A 1 206 ? 31.674 15.336 14.558 1.00 24.05 ? 898 TRP A CD2 1 \nATOM 1576 N NE1 . TRP A 1 206 ? 31.757 17.336 15.607 1.00 23.39 ? 898 TRP A NE1 1 \nATOM 1577 C CE2 . TRP A 1 206 ? 32.494 16.220 15.304 1.00 23.70 ? 898 TRP A CE2 1 \nATOM 1578 C CE3 . TRP A 1 206 ? 32.210 14.127 14.116 1.00 26.61 ? 898 TRP A CE3 1 \nATOM 1579 C CZ2 . TRP A 1 206 ? 33.837 15.910 15.635 1.00 27.97 ? 898 TRP A CZ2 1 \nATOM 1580 C CZ3 . TRP A 1 206 ? 33.568 13.828 14.425 1.00 27.65 ? 898 TRP A CZ3 1 \nATOM 1581 C CH2 . TRP A 1 206 ? 34.333 14.704 15.185 1.00 26.29 ? 898 TRP A CH2 1 \nATOM 1582 N N . SER A 1 207 ? 26.971 17.444 14.316 1.00 21.82 ? 899 SER A N 1 \nATOM 1583 C CA . SER A 1 207 ? 26.558 18.772 14.763 1.00 21.42 ? 899 SER A CA 1 \nATOM 1584 C C . SER A 1 207 ? 25.369 18.645 15.715 1.00 24.08 ? 899 SER A C 1 \nATOM 1585 O O . SER A 1 207 ? 25.228 19.457 16.652 1.00 23.02 ? 899 SER A O 1 \nATOM 1586 C CB . SER A 1 207 ? 26.142 19.636 13.571 1.00 22.79 ? 899 SER A CB 1 \nATOM 1587 O OG . SER A 1 207 ? 27.196 19.709 12.622 1.00 29.32 ? 899 SER A OG 1 \nATOM 1588 N N . TYR A 1 208 ? 24.551 17.615 15.484 1.00 24.08 ? 900 TYR A N 1 \nATOM 1589 C CA . TYR A 1 208 ? 23.474 17.266 16.443 1.00 22.45 ? 900 TYR A CA 1 \nATOM 1590 C C . TYR A 1 208 ? 24.039 16.904 17.797 1.00 24.83 ? 900 TYR A C 1 \nATOM 1591 O O . TYR A 1 208 ? 23.514 17.330 18.811 1.00 22.80 ? 900 TYR A O 1 \nATOM 1592 C CB . TYR A 1 208 ? 22.565 16.129 15.923 1.00 26.91 ? 900 TYR A CB 1 \nATOM 1593 C CG . TYR A 1 208 ? 21.483 15.683 16.918 1.00 24.64 ? 900 TYR A CG 1 \nATOM 1594 C CD1 . TYR A 1 208 ? 21.709 14.629 17.818 1.00 24.58 ? 900 TYR A CD1 1 \nATOM 1595 C CD2 . TYR A 1 208 ? 20.207 16.282 16.921 1.00 29.41 ? 900 TYR A CD2 1 \nATOM 1596 C CE1 . TYR A 1 208 ? 20.714 14.188 18.692 1.00 30.37 ? 900 TYR A CE1 1 \nATOM 1597 C CE2 . TYR A 1 208 ? 19.220 15.867 17.813 1.00 25.82 ? 900 TYR A CE2 1 \nATOM 1598 C CZ . TYR A 1 208 ? 19.472 14.819 18.694 1.00 30.20 ? 900 TYR A CZ 1 \nATOM 1599 O OH . TYR A 1 208 ? 18.495 14.386 19.571 1.00 29.23 ? 900 TYR A OH 1 \nATOM 1600 N N . GLY A 1 209 ? 25.144 16.142 17.822 1.00 25.68 ? 901 GLY A N 1 \nATOM 1601 C CA . GLY A 1 209 ? 25.756 15.748 19.096 1.00 23.98 ? 901 GLY A CA 1 \nATOM 1602 C C . GLY A 1 209 ? 26.223 17.007 19.827 1.00 24.33 ? 901 GLY A C 1 \nATOM 1603 O O . GLY A 1 209 ? 26.101 17.084 21.035 1.00 23.86 ? 901 GLY A O 1 \nATOM 1604 N N . VAL A 1 210 ? 26.818 17.960 19.086 1.00 25.05 ? 902 VAL A N 1 \nATOM 1605 C CA . VAL A 1 210 ? 27.315 19.214 19.683 1.00 21.83 ? 902 VAL A CA 1 \nATOM 1606 C C . VAL A 1 210 ? 26.114 20.019 20.243 1.00 24.08 ? 902 VAL A C 1 \nATOM 1607 O O . VAL A 1 210 ? 26.152 20.532 21.345 1.00 26.25 ? 902 VAL A O 1 \nATOM 1608 C CB . VAL A 1 210 ? 28.167 20.062 18.704 1.00 24.89 ? 902 VAL A CB 1 \nATOM 1609 C CG1 . VAL A 1 210 ? 28.771 21.289 19.420 1.00 26.81 ? 902 VAL A CG1 1 \nATOM 1610 C CG2 . VAL A 1 210 ? 29.308 19.223 18.111 1.00 22.20 ? 902 VAL A CG2 1 \nATOM 1611 N N . THR A 1 211 ? 25.058 20.097 19.457 1.00 23.91 ? 903 THR A N 1 \nATOM 1612 C CA . THR A 1 211 ? 23.826 20.789 19.902 1.00 24.59 ? 903 THR A CA 1 \nATOM 1613 C C . THR A 1 211 ? 23.306 20.220 21.235 1.00 20.47 ? 903 THR A C 1 \nATOM 1614 O O . THR A 1 211 ? 23.031 20.953 22.193 1.00 23.36 ? 903 THR A O 1 \nATOM 1615 C CB . THR A 1 211 ? 22.761 20.724 18.787 1.00 22.55 ? 903 THR A CB 1 \nATOM 1616 O OG1 . THR A 1 211 ? 23.273 21.268 17.569 1.00 24.10 ? 903 THR A OG1 1 \nATOM 1617 C CG2 . THR A 1 211 ? 21.429 21.492 19.168 1.00 24.23 ? 903 THR A CG2 1 \nATOM 1618 N N . VAL A 1 212 ? 23.170 18.901 21.300 1.00 22.65 ? 904 VAL A N 1 \nATOM 1619 C CA . VAL A 1 212 ? 22.729 18.231 22.517 1.00 24.32 ? 904 VAL A CA 1 \nATOM 1620 C C . VAL A 1 212 ? 23.639 18.562 23.686 1.00 29.53 ? 904 VAL A C 1 \nATOM 1621 O O . VAL A 1 212 ? 23.174 18.813 24.780 1.00 25.51 ? 904 VAL A O 1 \nATOM 1622 C CB . VAL A 1 212 ? 22.614 16.698 22.303 1.00 26.14 ? 904 VAL A CB 1 \nATOM 1623 C CG1 . VAL A 1 212 ? 22.367 15.967 23.621 1.00 32.14 ? 904 VAL A CG1 1 \nATOM 1624 C CG2 . VAL A 1 212 ? 21.469 16.388 21.352 1.00 29.78 ? 904 VAL A CG2 1 \nATOM 1625 N N . TRP A 1 213 ? 24.951 18.547 23.442 1.00 25.37 ? 905 TRP A N 1 \nATOM 1626 C CA . TRP A 1 213 ? 25.909 18.952 24.450 1.00 26.02 ? 905 TRP A CA 1 \nATOM 1627 C C . TRP A 1 213 ? 25.618 20.397 24.929 1.00 25.24 ? 905 TRP A C 1 \nATOM 1628 O O . TRP A 1 213 ? 25.647 20.692 26.122 1.00 25.58 ? 905 TRP A O 1 \nATOM 1629 C CB . TRP A 1 213 ? 27.344 18.846 23.879 1.00 27.12 ? 905 TRP A CB 1 \nATOM 1630 C CG . TRP A 1 213 ? 28.457 19.135 24.901 1.00 29.75 ? 905 TRP A CG 1 \nATOM 1631 C CD1 . TRP A 1 213 ? 29.071 18.227 25.727 1.00 29.86 ? 905 TRP A CD1 1 \nATOM 1632 C CD2 . TRP A 1 213 ? 29.059 20.406 25.194 1.00 29.09 ? 905 TRP A CD2 1 \nATOM 1633 N NE1 . TRP A 1 213 ? 30.016 18.857 26.518 1.00 27.53 ? 905 TRP A NE1 1 \nATOM 1634 C CE2 . TRP A 1 213 ? 30.038 20.187 26.202 1.00 31.67 ? 905 TRP A CE2 1 \nATOM 1635 C CE3 . TRP A 1 213 ? 28.896 21.705 24.680 1.00 29.99 ? 905 TRP A CE3 1 \nATOM 1636 C CZ2 . TRP A 1 213 ? 30.822 21.226 26.732 1.00 31.76 ? 905 TRP A CZ2 1 \nATOM 1637 C CZ3 . TRP A 1 213 ? 29.670 22.739 25.211 1.00 29.19 ? 905 TRP A CZ3 1 \nATOM 1638 C CH2 . TRP A 1 213 ? 30.632 22.487 26.218 1.00 31.16 ? 905 TRP A CH2 1 \nATOM 1639 N N . GLU A 1 214 ? 25.375 21.300 23.992 1.00 23.57 ? 906 GLU A N 1 \nATOM 1640 C CA . GLU A 1 214 ? 25.081 22.673 24.361 1.00 26.68 ? 906 GLU A CA 1 \nATOM 1641 C C . GLU A 1 214 ? 23.849 22.707 25.272 1.00 29.46 ? 906 GLU A C 1 \nATOM 1642 O O . GLU A 1 214 ? 23.811 23.439 26.244 1.00 30.72 ? 906 GLU A O 1 \nATOM 1643 C CB . GLU A 1 214 ? 24.731 23.494 23.126 1.00 29.21 ? 906 GLU A CB 1 \nATOM 1644 C CG . GLU A 1 214 ? 25.885 23.793 22.205 1.00 26.76 ? 906 GLU A CG 1 \nATOM 1645 C CD . GLU A 1 214 ? 25.419 24.646 21.045 1.00 26.29 ? 906 GLU A CD 1 \nATOM 1646 O OE1 . GLU A 1 214 ? 25.522 25.884 21.177 1.00 28.98 ? 906 GLU A OE1 1 \nATOM 1647 O OE2 . GLU A 1 214 ? 24.934 24.103 20.035 1.00 28.76 ? 906 GLU A OE2 1 \nATOM 1648 N N . LEU A 1 215 ? 22.852 21.897 24.946 1.00 28.88 ? 907 LEU A N 1 \nATOM 1649 C CA . LEU A 1 215 ? 21.629 21.859 25.737 1.00 31.17 ? 907 LEU A CA 1 \nATOM 1650 C C . LEU A 1 215 ? 21.876 21.375 27.176 1.00 30.41 ? 907 LEU A C 1 \nATOM 1651 O O . LEU A 1 215 ? 21.476 22.031 28.157 1.00 31.35 ? 907 LEU A O 1 \nATOM 1652 C CB . LEU A 1 215 ? 20.588 20.965 25.036 1.00 30.07 ? 907 LEU A CB 1 \nATOM 1653 C CG . LEU A 1 215 ? 20.073 21.493 23.692 1.00 29.46 ? 907 LEU A CG 1 \nATOM 1654 C CD1 . LEU A 1 215 ? 18.881 20.670 23.250 1.00 32.66 ? 907 LEU A CD1 1 \nATOM 1655 C CD2 . LEU A 1 215 ? 19.698 22.976 23.760 1.00 30.38 ? 907 LEU A CD2 1 \nATOM 1656 N N . MET A 1 216 ? 22.572 20.248 27.280 1.00 33.26 ? 908 MET A N 1 \nATOM 1657 C CA . MET A 1 216 ? 22.815 19.567 28.555 1.00 33.03 ? 908 MET A CA 1 \nATOM 1658 C C . MET A 1 216 ? 23.776 20.319 29.480 1.00 33.19 ? 908 MET A C 1 \nATOM 1659 O O . MET A 1 216 ? 23.833 20.034 30.667 1.00 32.50 ? 908 MET A O 1 \nATOM 1660 C CB . MET A 1 216 ? 23.378 18.162 28.308 1.00 29.57 ? 908 MET A CB 1 \nATOM 1661 C CG . MET A 1 216 ? 22.499 17.227 27.502 1.00 31.43 ? 908 MET A CG 1 \nATOM 1662 S SD . MET A 1 216 ? 20.915 16.950 28.305 1.00 38.14 ? 908 MET A SD 1 \nATOM 1663 C CE . MET A 1 216 ? 19.955 16.171 26.994 1.00 35.57 ? 908 MET A CE 1 \nATOM 1664 N N . THR A 1 217 ? 24.529 21.266 28.926 1.00 34.84 ? 909 THR A N 1 \nATOM 1665 C CA . THR A 1 217 ? 25.422 22.110 29.715 1.00 31.46 ? 909 THR A CA 1 \nATOM 1666 C C . THR A 1 217 ? 24.758 23.462 29.973 1.00 35.43 ? 909 THR A C 1 \nATOM 1667 O O . THR A 1 217 ? 25.369 24.375 30.533 1.00 33.37 ? 909 THR A O 1 \nATOM 1668 C CB . THR A 1 217 ? 26.755 22.383 28.990 1.00 30.17 ? 909 THR A CB 1 \nATOM 1669 O OG1 . THR A 1 217 ? 26.503 23.074 27.759 1.00 32.39 ? 909 THR A OG1 1 \nATOM 1670 C CG2 . THR A 1 217 ? 27.548 21.085 28.733 1.00 34.41 ? 909 THR A CG2 1 \nATOM 1671 N N . PHE A 1 218 ? 23.507 23.580 29.542 1.00 32.72 ? 910 PHE A N 1 \nATOM 1672 C CA . PHE A 1 218 ? 22.753 24.834 29.661 1.00 39.49 ? 910 PHE A CA 1 \nATOM 1673 C C . PHE A 1 218 ? 23.452 25.975 28.916 1.00 37.32 ? 910 PHE A C 1 \nATOM 1674 O O . PHE A 1 218 ? 23.512 27.121 29.379 1.00 34.56 ? 910 PHE A O 1 \nATOM 1675 C CB . PHE A 1 218 ? 22.465 25.145 31.144 1.00 38.60 ? 910 PHE A CB 1 \nATOM 1676 C CG . PHE A 1 218 ? 21.737 24.031 31.852 1.00 35.82 ? 910 PHE A CG 1 \nATOM 1677 C CD1 . PHE A 1 218 ? 20.360 23.874 31.695 1.00 42.92 ? 910 PHE A CD1 1 \nATOM 1678 C CD2 . PHE A 1 218 ? 22.424 23.129 32.671 1.00 39.39 ? 910 PHE A CD2 1 \nATOM 1679 C CE1 . PHE A 1 218 ? 19.684 22.843 32.335 1.00 38.58 ? 910 PHE A CE1 1 \nATOM 1680 C CE2 . PHE A 1 218 ? 21.751 22.095 33.320 1.00 38.85 ? 910 PHE A CE2 1 \nATOM 1681 C CZ . PHE A 1 218 ? 20.377 21.960 33.156 1.00 39.25 ? 910 PHE A CZ 1 \nATOM 1682 N N . GLY A 1 219 ? 23.972 25.646 27.741 1.00 30.24 ? 911 GLY A N 1 \nATOM 1683 C CA . GLY A 1 219 ? 24.480 26.659 26.818 1.00 30.44 ? 911 GLY A CA 1 \nATOM 1684 C C . GLY A 1 219 ? 25.938 27.038 26.976 1.00 31.34 ? 911 GLY A C 1 \nATOM 1685 O O . GLY A 1 219 ? 26.322 28.160 26.631 1.00 31.20 ? 911 GLY A O 1 \nATOM 1686 N N . SER A 1 220 ? 26.761 26.109 27.461 1.00 34.43 ? 912 SER A N 1 \nATOM 1687 C CA . SER A 1 220 ? 28.216 26.310 27.408 1.00 32.44 ? 912 SER A CA 1 \nATOM 1688 C C . SER A 1 220 ? 28.744 26.398 25.977 1.00 30.35 ? 912 SER A C 1 \nATOM 1689 O O . SER A 1 220 ? 28.186 25.815 25.051 1.00 29.13 ? 912 SER A O 1 \nATOM 1690 C CB . SER A 1 220 ? 28.963 25.201 28.160 1.00 37.09 ? 912 SER A CB 1 \nATOM 1691 O OG . SER A 1 220 ? 28.615 25.224 29.524 1.00 37.39 ? 912 SER A OG 1 \nATOM 1692 N N . LYS A 1 221 ? 29.864 27.105 25.822 1.00 34.33 ? 913 LYS A N 1 \nATOM 1693 C CA . LYS A 1 221 ? 30.544 27.258 24.535 1.00 36.05 ? 913 LYS A CA 1 \nATOM 1694 C C . LYS A 1 221 ? 31.469 26.073 24.282 1.00 36.45 ? 913 LYS A C 1 \nATOM 1695 O O . LYS A 1 221 ? 32.367 25.819 25.085 1.00 32.75 ? 913 LYS A O 1 \nATOM 1696 C CB . LYS A 1 221 ? 31.374 28.541 24.538 1.00 37.89 ? 913 LYS A CB 1 \nATOM 1697 C CG . LYS A 1 221 ? 30.549 29.809 24.490 1.00 41.62 ? 913 LYS A CG 1 \nATOM 1698 C CD . LYS A 1 221 ? 31.439 31.046 24.591 1.00 54.77 ? 913 LYS A CD 1 \nATOM 1699 C CE . LYS A 1 221 ? 32.281 31.258 23.338 1.00 63.20 ? 913 LYS A CE 1 \nATOM 1700 N NZ . LYS A 1 221 ? 33.156 32.457 23.448 1.00 79.59 ? 913 LYS A NZ 1 \nATOM 1701 N N . PRO A 1 222 ? 31.254 25.337 23.175 1.00 34.16 ? 914 PRO A N 1 \nATOM 1702 C CA . PRO A 1 222 ? 32.058 24.118 22.968 1.00 29.10 ? 914 PRO A CA 1 \nATOM 1703 C C . PRO A 1 222 ? 33.536 24.481 22.719 1.00 34.77 ? 914 PRO A C 1 \nATOM 1704 O O . PRO A 1 222 ? 33.814 25.439 21.996 1.00 33.33 ? 914 PRO A O 1 \nATOM 1705 C CB . PRO A 1 222 ? 31.411 23.481 21.733 1.00 33.91 ? 914 PRO A CB 1 \nATOM 1706 C CG . PRO A 1 222 ? 30.778 24.614 21.005 1.00 34.78 ? 914 PRO A CG 1 \nATOM 1707 C CD . PRO A 1 222 ? 30.298 25.560 22.076 1.00 32.97 ? 914 PRO A CD 1 \nATOM 1708 N N . TYR A 1 223 ? 34.458 23.737 23.325 1.00 33.25 ? 915 TYR A N 1 \nATOM 1709 C CA . TYR A 1 223 ? 35.895 23.998 23.177 1.00 33.85 ? 915 TYR A CA 1 \nATOM 1710 C C . TYR A 1 223 ? 36.207 25.471 23.468 1.00 39.64 ? 915 TYR A C 1 \nATOM 1711 O O . TYR A 1 223 ? 36.948 26.117 22.718 1.00 45.53 ? 915 TYR A O 1 \nATOM 1712 C CB . TYR A 1 223 ? 36.364 23.665 21.764 1.00 33.52 ? 915 TYR A CB 1 \nATOM 1713 C CG . TYR A 1 223 ? 35.818 22.388 21.190 1.00 29.32 ? 915 TYR A CG 1 \nATOM 1714 C CD1 . TYR A 1 223 ? 36.385 21.162 21.511 1.00 32.58 ? 915 TYR A CD1 1 \nATOM 1715 C CD2 . TYR A 1 223 ? 34.742 22.417 20.307 1.00 36.08 ? 915 TYR A CD2 1 \nATOM 1716 C CE1 . TYR A 1 223 ? 35.888 19.981 20.977 1.00 33.76 ? 915 TYR A CE1 1 \nATOM 1717 C CE2 . TYR A 1 223 ? 34.231 21.250 19.767 1.00 31.31 ? 915 TYR A CE2 1 \nATOM 1718 C CZ . TYR A 1 223 ? 34.802 20.038 20.107 1.00 30.34 ? 915 TYR A CZ 1 \nATOM 1719 O OH . TYR A 1 223 ? 34.315 18.876 19.539 1.00 36.05 ? 915 TYR A OH 1 \nATOM 1720 N N . ASP A 1 224 ? 35.618 25.991 24.543 1.00 43.33 ? 916 ASP A N 1 \nATOM 1721 C CA . ASP A 1 224 ? 35.768 27.396 24.940 1.00 48.23 ? 916 ASP A CA 1 \nATOM 1722 C C . ASP A 1 224 ? 37.254 27.719 25.124 1.00 48.30 ? 916 ASP A C 1 \nATOM 1723 O O . ASP A 1 224 ? 37.983 26.961 25.774 1.00 46.71 ? 916 ASP A O 1 \nATOM 1724 C CB . ASP A 1 224 ? 34.988 27.650 26.242 1.00 52.14 ? 916 ASP A CB 1 \nATOM 1725 C CG . ASP A 1 224 ? 34.922 29.136 26.628 1.00 54.58 ? 916 ASP A CG 1 \nATOM 1726 O OD1 . ASP A 1 224 ? 34.708 29.421 27.821 1.00 60.52 ? 916 ASP A OD1 1 \nATOM 1727 O OD2 . ASP A 1 224 ? 35.064 30.008 25.751 1.00 47.27 ? 916 ASP A OD2 1 \nATOM 1728 N N . GLY A 1 225 ? 37.697 28.813 24.511 1.00 56.46 ? 917 GLY A N 1 \nATOM 1729 C CA . GLY A 1 225 ? 39.085 29.258 24.635 1.00 76.19 ? 917 GLY A CA 1 \nATOM 1730 C C . GLY A 1 225 ? 40.035 28.671 23.604 1.00 72.63 ? 917 GLY A C 1 \nATOM 1731 O O . GLY A 1 225 ? 41.021 29.316 23.238 1.00 63.76 ? 917 GLY A O 1 \nATOM 1732 N N . ILE A 1 226 ? 39.738 27.452 23.143 1.00 63.90 ? 918 ILE A N 1 \nATOM 1733 C CA . ILE A 1 226 ? 40.529 26.764 22.114 1.00 49.40 ? 918 ILE A CA 1 \nATOM 1734 C C . ILE A 1 226 ? 40.345 27.411 20.732 1.00 55.67 ? 918 ILE A C 1 \nATOM 1735 O O . ILE A 1 226 ? 39.215 27.569 20.259 1.00 53.67 ? 918 ILE A O 1 \nATOM 1736 C CB . ILE A 1 226 ? 40.247 25.246 22.089 1.00 58.39 ? 918 ILE A CB 1 \nATOM 1737 C CG1 . ILE A 1 226 ? 40.788 24.592 23.362 1.00 67.71 ? 918 ILE A CG1 1 \nATOM 1738 C CG2 . ILE A 1 226 ? 40.855 24.585 20.856 1.00 49.74 ? 918 ILE A CG2 1 \nATOM 1739 C CD1 . ILE A 1 226 ? 40.277 23.185 23.600 1.00 83.95 ? 918 ILE A CD1 1 \nATOM 1740 N N . PRO A 1 227 ? 41.465 27.809 20.091 1.00 55.34 ? 919 PRO A N 1 \nATOM 1741 C CA . PRO A 1 227 ? 41.367 28.478 18.797 1.00 51.65 ? 919 PRO A CA 1 \nATOM 1742 C C . PRO A 1 227 ? 40.839 27.524 17.737 1.00 46.00 ? 919 PRO A C 1 \nATOM 1743 O O . PRO A 1 227 ? 41.228 26.335 17.700 1.00 36.86 ? 919 PRO A O 1 \nATOM 1744 C CB . PRO A 1 227 ? 42.817 28.854 18.466 1.00 48.91 ? 919 PRO A CB 1 \nATOM 1745 C CG . PRO A 1 227 ? 43.602 28.650 19.726 1.00 59.54 ? 919 PRO A CG 1 \nATOM 1746 C CD . PRO A 1 227 ? 42.867 27.590 20.494 1.00 61.20 ? 919 PRO A CD 1 \nATOM 1747 N N . ALA A 1 228 ? 39.982 28.055 16.877 1.00 42.96 ? 920 ALA A N 1 \nATOM 1748 C CA . ALA A 1 228 ? 39.380 27.267 15.795 1.00 53.07 ? 920 ALA A CA 1 \nATOM 1749 C C . ALA A 1 228 ? 40.428 26.554 14.926 1.00 52.49 ? 920 ALA A C 1 \nATOM 1750 O O . ALA A 1 228 ? 40.200 25.430 14.477 1.00 39.45 ? 920 ALA A O 1 \nATOM 1751 C CB . ALA A 1 228 ? 38.482 28.136 14.939 1.00 41.74 ? 920 ALA A CB 1 \nATOM 1752 N N . SER A 1 229 ? 41.578 27.191 14.706 1.00 42.14 ? 921 SER A N 1 \nATOM 1753 C CA . SER A 1 229 ? 42.638 26.564 13.918 1.00 38.91 ? 921 SER A CA 1 \nATOM 1754 C C . SER A 1 229 ? 43.218 25.280 14.535 1.00 41.47 ? 921 SER A C 1 \nATOM 1755 O O . SER A 1 229 ? 43.852 24.491 13.834 1.00 45.17 ? 921 SER A O 1 \nATOM 1756 C CB . SER A 1 229 ? 43.758 27.580 13.611 1.00 43.76 ? 921 SER A CB 1 \nATOM 1757 O OG . SER A 1 229 ? 44.498 27.894 14.783 1.00 45.49 ? 921 SER A OG 1 \nATOM 1758 N N . GLU A 1 230 ? 42.994 25.066 15.832 1.00 38.81 ? 922 GLU A N 1 \nATOM 1759 C CA . GLU A 1 230 ? 43.508 23.877 16.524 1.00 37.90 ? 922 GLU A CA 1 \nATOM 1760 C C . GLU A 1 230 ? 42.483 22.741 16.610 1.00 32.89 ? 922 GLU A C 1 \nATOM 1761 O O . GLU A 1 230 ? 42.824 21.636 17.051 1.00 37.01 ? 922 GLU A O 1 \nATOM 1762 C CB . GLU A 1 230 ? 43.996 24.218 17.938 1.00 43.95 ? 922 GLU A CB 1 \nATOM 1763 C CG . GLU A 1 230 ? 45.241 25.107 17.988 1.00 58.60 ? 922 GLU A CG 1 \nATOM 1764 C CD . GLU A 1 230 ? 46.562 24.340 17.959 1.00 74.68 ? 922 GLU A CD 1 \nATOM 1765 O OE1 . GLU A 1 230 ? 47.536 24.836 18.567 1.00 92.16 ? 922 GLU A OE1 1 \nATOM 1766 O OE2 . GLU A 1 230 ? 46.653 23.253 17.338 1.00 65.14 ? 922 GLU A OE2 1 \nATOM 1767 N N . ILE A 1 231 ? 41.253 22.998 16.186 1.00 36.85 ? 923 ILE A N 1 \nATOM 1768 C CA . ILE A 1 231 ? 40.183 21.993 16.380 1.00 30.58 ? 923 ILE A CA 1 \nATOM 1769 C C . ILE A 1 231 ? 40.420 20.666 15.649 1.00 27.72 ? 923 ILE A C 1 \nATOM 1770 O O . ILE A 1 231 ? 40.283 19.600 16.258 1.00 32.41 ? 923 ILE A O 1 \nATOM 1771 C CB . ILE A 1 231 ? 38.766 22.575 16.099 1.00 36.31 ? 923 ILE A CB 1 \nATOM 1772 C CG1 . ILE A 1 231 ? 38.369 23.629 17.159 1.00 35.07 ? 923 ILE A CG1 1 \nATOM 1773 C CG2 . ILE A 1 231 ? 37.725 21.455 16.020 1.00 31.73 ? 923 ILE A CG2 1 \nATOM 1774 C CD1 . ILE A 1 231 ? 38.250 23.123 18.592 1.00 32.22 ? 923 ILE A CD1 1 \nATOM 1775 N N . SER A 1 232 ? 40.756 20.704 14.355 1.00 28.13 ? 924 SER A N 1 \nATOM 1776 C CA . SER A 1 232 ? 41.002 19.463 13.633 1.00 35.63 ? 924 SER A CA 1 \nATOM 1777 C C . SER A 1 232 ? 42.110 18.610 14.291 1.00 34.96 ? 924 SER A C 1 \nATOM 1778 O O . SER A 1 232 ? 41.992 17.378 14.352 1.00 29.18 ? 924 SER A O 1 \nATOM 1779 C CB . SER A 1 232 ? 41.305 19.725 12.150 1.00 39.13 ? 924 SER A CB 1 \nATOM 1780 O OG . SER A 1 232 ? 42.613 20.267 11.983 1.00 41.55 ? 924 SER A OG 1 \nATOM 1781 N N . SER A 1 233 ? 43.194 19.226 14.792 1.00 38.53 ? 925 SER A N 1 \nATOM 1782 C CA . SER A 1 233 ? 44.236 18.385 15.393 1.00 37.45 ? 925 SER A CA 1 \nATOM 1783 C C . SER A 1 233 ? 43.771 17.767 16.716 1.00 35.21 ? 925 SER A C 1 \nATOM 1784 O O . SER A 1 233 ? 44.032 16.602 16.994 1.00 33.66 ? 925 SER A O 1 \nATOM 1785 C CB . SER A 1 233 ? 45.579 19.125 15.558 1.00 47.26 ? 925 SER A CB 1 \nATOM 1786 O OG . SER A 1 233 ? 45.435 20.233 16.416 1.00 54.50 ? 925 SER A OG 1 \nATOM 1787 N N . ILE A 1 234 ? 43.029 18.547 17.497 1.00 35.17 ? 926 ILE A N 1 \nATOM 1788 C CA . ILE A 1 234 ? 42.404 18.065 18.728 1.00 40.33 ? 926 ILE A CA 1 \nATOM 1789 C C . ILE A 1 234 ? 41.474 16.855 18.453 1.00 34.53 ? 926 ILE A C 1 \nATOM 1790 O O . ILE A 1 234 ? 41.637 15.787 19.056 1.00 32.95 ? 926 ILE A O 1 \nATOM 1791 C CB . ILE A 1 234 ? 41.718 19.262 19.443 1.00 44.79 ? 926 ILE A CB 1 \nATOM 1792 C CG1 . ILE A 1 234 ? 42.727 19.924 20.400 1.00 48.92 ? 926 ILE A CG1 1 \nATOM 1793 C CG2 . ILE A 1 234 ? 40.399 18.888 20.114 1.00 51.95 ? 926 ILE A CG2 1 \nATOM 1794 C CD1 . ILE A 1 234 ? 42.280 21.255 20.973 1.00 61.81 ? 926 ILE A CD1 1 \nATOM 1795 N N . LEU A 1 235 ? 40.532 17.007 17.520 1.00 37.12 ? 927 LEU A N 1 \nATOM 1796 C CA . LEU A 1 235 ? 39.655 15.893 17.106 1.00 32.43 ? 927 LEU A CA 1 \nATOM 1797 C C . LEU A 1 235 ? 40.412 14.654 16.605 1.00 30.80 ? 927 LEU A C 1 \nATOM 1798 O O . LEU A 1 235 ? 40.043 13.515 16.922 1.00 31.95 ? 927 LEU A O 1 \nATOM 1799 C CB . LEU A 1 235 ? 38.673 16.349 16.012 1.00 30.99 ? 927 LEU A CB 1 \nATOM 1800 C CG . LEU A 1 235 ? 37.709 17.440 16.463 1.00 32.53 ? 927 LEU A CG 1 \nATOM 1801 C CD1 . LEU A 1 235 ? 36.815 17.889 15.312 1.00 33.89 ? 927 LEU A CD1 1 \nATOM 1802 C CD2 . LEU A 1 235 ? 36.891 16.918 17.625 1.00 30.69 ? 927 LEU A CD2 1 \nATOM 1803 N N . GLU A 1 236 ? 41.450 14.888 15.810 1.00 37.01 ? 928 GLU A N 1 \nATOM 1804 C CA . GLU A 1 236 ? 42.284 13.804 15.268 1.00 39.13 ? 928 GLU A CA 1 \nATOM 1805 C C . GLU A 1 236 ? 43.002 13.019 16.360 1.00 41.39 ? 928 GLU A C 1 \nATOM 1806 O O . GLU A 1 236 ? 43.225 11.816 16.209 1.00 38.80 ? 928 GLU A O 1 \nATOM 1807 C CB . GLU A 1 236 ? 43.307 14.339 14.255 1.00 40.49 ? 928 GLU A CB 1 \nATOM 1808 C CG . GLU A 1 236 ? 42.754 14.636 12.870 1.00 44.84 ? 928 GLU A CG 1 \nATOM 1809 C CD . GLU A 1 236 ? 43.660 15.532 12.036 1.00 69.64 ? 928 GLU A CD 1 \nATOM 1810 O OE1 . GLU A 1 236 ? 43.599 15.442 10.790 1.00 74.90 ? 928 GLU A OE1 1 \nATOM 1811 O OE2 . GLU A 1 236 ? 44.432 16.332 12.616 1.00 62.95 ? 928 GLU A OE2 1 \nATOM 1812 N N . LYS A 1 237 ? 43.370 13.694 17.448 1.00 40.90 ? 929 LYS A N 1 \nATOM 1813 C CA . LYS A 1 237 ? 44.002 13.020 18.591 1.00 41.80 ? 929 LYS A CA 1 \nATOM 1814 C C . LYS A 1 237 ? 43.006 12.231 19.453 1.00 46.80 ? 929 LYS A C 1 \nATOM 1815 O O . LYS A 1 237 ? 43.398 11.536 20.394 1.00 44.25 ? 929 LYS A O 1 \nATOM 1816 C CB . LYS A 1 237 ? 44.758 14.025 19.459 1.00 50.08 ? 929 LYS A CB 1 \nATOM 1817 C CG . LYS A 1 237 ? 45.966 14.663 18.770 1.00 40.31 ? 929 LYS A CG 1 \nATOM 1818 C CD . LYS A 1 237 ? 46.644 15.696 19.666 1.00 67.33 ? 929 LYS A CD 1 \nATOM 1819 C CE . LYS A 1 237 ? 47.436 15.043 20.796 1.00 79.96 ? 929 LYS A CE 1 \nATOM 1820 N NZ . LYS A 1 237 ? 48.135 16.035 21.664 1.00 77.70 ? 929 LYS A NZ 1 \nATOM 1821 N N . GLY A 1 238 ? 41.721 12.345 19.125 1.00 37.47 ? 930 GLY A N 1 \nATOM 1822 C CA . GLY A 1 238 ? 40.652 11.633 19.840 1.00 39.43 ? 930 GLY A CA 1 \nATOM 1823 C C . GLY A 1 238 ? 39.970 12.436 20.930 1.00 38.99 ? 930 GLY A C 1 \nATOM 1824 O O . GLY A 1 238 ? 39.110 11.903 21.646 1.00 41.30 ? 930 GLY A O 1 \nATOM 1825 N N . GLU A 1 239 ? 40.330 13.714 21.069 1.00 32.16 ? 931 GLU A N 1 \nATOM 1826 C CA . GLU A 1 239 ? 39.759 14.534 22.132 1.00 32.85 ? 931 GLU A CA 1 \nATOM 1827 C C . GLU A 1 239 ? 38.329 14.954 21.745 1.00 28.27 ? 931 GLU A C 1 \nATOM 1828 O O . GLU A 1 239 ? 38.075 15.227 20.573 1.00 28.77 ? 931 GLU A O 1 \nATOM 1829 C CB . GLU A 1 239 ? 40.603 15.762 22.393 1.00 36.69 ? 931 GLU A CB 1 \nATOM 1830 C CG . GLU A 1 239 ? 40.082 16.662 23.503 1.00 49.53 ? 931 GLU A CG 1 \nATOM 1831 C CD . GLU A 1 239 ? 41.036 17.806 23.818 1.00 69.08 ? 931 GLU A CD 1 \nATOM 1832 O OE1 . GLU A 1 239 ? 42.249 17.685 23.508 1.00 53.32 ? 931 GLU A OE1 1 \nATOM 1833 O OE2 . GLU A 1 239 ? 40.568 18.828 24.374 1.00 53.97 ? 931 GLU A OE2 1 \nATOM 1834 N N . ARG A 1 240 ? 37.436 14.994 22.732 1.00 32.01 ? 932 ARG A N 1 \nATOM 1835 C CA . ARG A 1 240 ? 35.995 15.304 22.490 1.00 28.11 ? 932 ARG A CA 1 \nATOM 1836 C C . ARG A 1 240 ? 35.471 16.272 23.565 1.00 32.94 ? 932 ARG A C 1 \nATOM 1837 O O . ARG A 1 240 ? 36.145 16.500 24.574 1.00 32.49 ? 932 ARG A O 1 \nATOM 1838 C CB . ARG A 1 240 ? 35.184 14.002 22.501 1.00 26.86 ? 932 ARG A CB 1 \nATOM 1839 C CG . ARG A 1 240 ? 35.365 13.048 21.316 1.00 27.27 ? 932 ARG A CG 1 \nATOM 1840 C CD . ARG A 1 240 ? 35.153 13.715 19.958 1.00 27.89 ? 932 ARG A CD 1 \nATOM 1841 N NE . ARG A 1 240 ? 35.303 12.791 18.844 1.00 28.64 ? 932 ARG A NE 1 \nATOM 1842 C CZ . ARG A 1 240 ? 36.449 12.531 18.213 1.00 43.88 ? 932 ARG A CZ 1 \nATOM 1843 N NH1 . ARG A 1 240 ? 36.458 11.657 17.217 1.00 36.00 ? 932 ARG A NH1 1 \nATOM 1844 N NH2 . ARG A 1 240 ? 37.584 13.133 18.580 1.00 28.88 ? 932 ARG A NH2 1 \nATOM 1845 N N . LEU A 1 241 ? 34.284 16.855 23.361 1.00 28.49 ? 933 LEU A N 1 \nATOM 1846 C CA . LEU A 1 241 ? 33.643 17.646 24.416 1.00 26.44 ? 933 LEU A CA 1 \nATOM 1847 C C . LEU A 1 241 ? 33.400 16.752 25.622 1.00 27.19 ? 933 LEU A C 1 \nATOM 1848 O O . LEU A 1 241 ? 33.077 15.575 25.443 1.00 32.58 ? 933 LEU A O 1 \nATOM 1849 C CB . LEU A 1 241 ? 32.311 18.241 23.907 1.00 29.48 ? 933 LEU A CB 1 \nATOM 1850 C CG . LEU A 1 241 ? 32.510 19.274 22.790 1.00 28.80 ? 933 LEU A CG 1 \nATOM 1851 C CD1 . LEU A 1 241 ? 31.191 19.477 22.015 1.00 25.49 ? 933 LEU A CD1 1 \nATOM 1852 C CD2 . LEU A 1 241 ? 33.058 20.587 23.368 1.00 24.54 ? 933 LEU A CD2 1 \nATOM 1853 N N . PRO A 1 242 ? 33.563 17.290 26.848 1.00 29.32 ? 934 PRO A N 1 \nATOM 1854 C CA . PRO A 1 242 ? 33.465 16.519 28.091 1.00 31.42 ? 934 PRO A CA 1 \nATOM 1855 C C . PRO A 1 242 ? 32.034 16.165 28.451 1.00 31.97 ? 934 PRO A C 1 \nATOM 1856 O O . PRO A 1 242 ? 31.093 16.860 28.022 1.00 30.19 ? 934 PRO A O 1 \nATOM 1857 C CB . PRO A 1 242 ? 34.021 17.485 29.144 1.00 39.73 ? 934 PRO A CB 1 \nATOM 1858 C CG . PRO A 1 242 ? 33.717 18.844 28.599 1.00 38.13 ? 934 PRO A CG 1 \nATOM 1859 C CD . PRO A 1 242 ? 33.907 18.703 27.109 1.00 35.28 ? 934 PRO A CD 1 \nATOM 1860 N N . GLN A 1 243 ? 31.885 15.115 29.245 1.00 30.53 ? 935 GLN A N 1 \nATOM 1861 C CA . GLN A 1 243 ? 30.573 14.712 29.766 1.00 29.08 ? 935 GLN A CA 1 \nATOM 1862 C C . GLN A 1 243 ? 29.934 15.848 30.576 1.00 32.66 ? 935 GLN A C 1 \nATOM 1863 O O . GLN A 1 243 ? 30.528 16.340 31.528 1.00 36.94 ? 935 GLN A O 1 \nATOM 1864 C CB . GLN A 1 243 ? 30.703 13.453 30.638 1.00 32.68 ? 935 GLN A CB 1 \nATOM 1865 C CG . GLN A 1 243 ? 29.388 13.003 31.278 1.00 37.61 ? 935 GLN A CG 1 \nATOM 1866 C CD . GLN A 1 243 ? 29.522 11.707 32.068 1.00 41.28 ? 935 GLN A CD 1 \nATOM 1867 O OE1 . GLN A 1 243 ? 30.577 11.088 32.077 1.00 38.24 ? 935 GLN A OE1 1 \nATOM 1868 N NE2 . GLN A 1 243 ? 28.447 11.306 32.755 1.00 34.59 ? 935 GLN A NE2 1 \nATOM 1869 N N . PRO A 1 244 ? 28.713 16.273 30.190 1.00 36.45 ? 936 PRO A N 1 \nATOM 1870 C CA . PRO A 1 244 ? 28.008 17.267 31.005 1.00 39.54 ? 936 PRO A CA 1 \nATOM 1871 C C . PRO A 1 244 ? 27.664 16.677 32.377 1.00 36.69 ? 936 PRO A C 1 \nATOM 1872 O O . PRO A 1 244 ? 27.317 15.497 32.453 1.00 35.68 ? 936 PRO A O 1 \nATOM 1873 C CB . PRO A 1 244 ? 26.741 17.562 30.181 1.00 34.20 ? 936 PRO A CB 1 \nATOM 1874 C CG . PRO A 1 244 ? 27.131 17.223 28.774 1.00 32.85 ? 936 PRO A CG 1 \nATOM 1875 C CD . PRO A 1 244 ? 27.993 15.990 28.938 1.00 36.06 ? 936 PRO A CD 1 \nATOM 1876 N N . PRO A 1 245 ? 27.830 17.472 33.457 1.00 38.32 ? 937 PRO A N 1 \nATOM 1877 C CA . PRO A 1 245 ? 27.599 17.015 34.833 1.00 40.21 ? 937 PRO A CA 1 \nATOM 1878 C C . PRO A 1 245 ? 26.233 16.386 35.062 1.00 40.46 ? 937 PRO A C 1 \nATOM 1879 O O . PRO A 1 245 ? 26.126 15.433 35.842 1.00 37.59 ? 937 PRO A O 1 \nATOM 1880 C CB . PRO A 1 245 ? 27.741 18.296 35.655 1.00 46.41 ? 937 PRO A CB 1 \nATOM 1881 C CG . PRO A 1 245 ? 28.715 19.118 34.886 1.00 46.70 ? 937 PRO A CG 1 \nATOM 1882 C CD . PRO A 1 245 ? 28.506 18.788 33.426 1.00 39.47 ? 937 PRO A CD 1 \nATOM 1883 N N . ILE A 1 246 ? 25.204 16.876 34.374 1.00 34.10 ? 938 ILE A N 1 \nATOM 1884 C CA . ILE A 1 246 ? 23.855 16.329 34.558 1.00 37.91 ? 938 ILE A CA 1 \nATOM 1885 C C . ILE A 1 246 ? 23.631 14.986 33.839 1.00 37.49 ? 938 ILE A C 1 \nATOM 1886 O O . ILE A 1 246 ? 22.660 14.289 34.126 1.00 41.11 ? 938 ILE A O 1 \nATOM 1887 C CB . ILE A 1 246 ? 22.731 17.329 34.163 1.00 33.35 ? 938 ILE A CB 1 \nATOM 1888 C CG1 . ILE A 1 246 ? 22.714 17.586 32.640 1.00 35.59 ? 938 ILE A CG1 1 \nATOM 1889 C CG2 . ILE A 1 246 ? 22.828 18.633 34.966 1.00 36.27 ? 938 ILE A CG2 1 \nATOM 1890 C CD1 . ILE A 1 246 ? 21.420 18.224 32.136 1.00 34.32 ? 938 ILE A CD1 1 \nATOM 1891 N N . CYS A 1 247 ? 24.516 14.620 32.915 1.00 34.04 ? 939 CYS A N 1 \nATOM 1892 C CA . CYS A 1 247 ? 24.244 13.437 32.081 1.00 31.20 ? 939 CYS A CA 1 \nATOM 1893 C C . CYS A 1 247 ? 24.743 12.159 32.706 1.00 36.53 ? 939 CYS A C 1 \nATOM 1894 O O . CYS A 1 247 ? 25.908 12.071 33.106 1.00 31.88 ? 939 CYS A O 1 \nATOM 1895 C CB . CYS A 1 247 ? 24.905 13.551 30.709 1.00 32.11 ? 939 CYS A CB 1 \nATOM 1896 S SG . CYS A 1 247 ? 24.327 14.888 29.665 1.00 37.25 ? 939 CYS A SG 1 \nATOM 1897 N N . THR A 1 248 ? 23.891 11.141 32.747 1.00 32.45 ? 940 THR A N 1 \nATOM 1898 C CA . THR A 1 248 ? 24.426 9.802 32.980 1.00 35.97 ? 940 THR A CA 1 \nATOM 1899 C C . THR A 1 248 ? 25.287 9.401 31.793 1.00 34.97 ? 940 THR A C 1 \nATOM 1900 O O . THR A 1 248 ? 25.203 10.005 30.717 1.00 33.70 ? 940 THR A O 1 \nATOM 1901 C CB . THR A 1 248 ? 23.305 8.757 33.128 1.00 35.72 ? 940 THR A CB 1 \nATOM 1902 O OG1 . THR A 1 248 ? 22.500 8.763 31.945 1.00 39.68 ? 940 THR A OG1 1 \nATOM 1903 C CG2 . THR A 1 248 ? 22.449 9.071 34.363 1.00 40.81 ? 940 THR A CG2 1 \nATOM 1904 N N . ILE A 1 249 ? 26.085 8.351 31.966 1.00 33.98 ? 941 ILE A N 1 \nATOM 1905 C CA . ILE A 1 249 ? 26.923 7.835 30.883 1.00 36.66 ? 941 ILE A CA 1 \nATOM 1906 C C . ILE A 1 249 ? 26.138 7.370 29.646 1.00 29.75 ? 941 ILE A C 1 \nATOM 1907 O O . ILE A 1 249 ? 26.623 7.493 28.531 1.00 33.08 ? 941 ILE A O 1 \nATOM 1908 C CB . ILE A 1 249 ? 27.930 6.758 31.391 1.00 41.29 ? 941 ILE A CB 1 \nATOM 1909 C CG1 . ILE A 1 249 ? 29.080 6.560 30.399 1.00 41.07 ? 941 ILE A CG1 1 \nATOM 1910 C CG2 . ILE A 1 249 ? 27.233 5.445 31.720 1.00 36.91 ? 941 ILE A CG2 1 \nATOM 1911 C CD1 . ILE A 1 249 ? 30.126 7.650 30.441 1.00 44.87 ? 941 ILE A CD1 1 \nATOM 1912 N N . ASP A 1 250 ? 24.925 6.850 29.840 1.00 35.62 ? 942 ASP A N 1 \nATOM 1913 C CA . ASP A 1 250 ? 24.058 6.438 28.727 1.00 35.94 ? 942 ASP A CA 1 \nATOM 1914 C C . ASP A 1 250 ? 23.799 7.600 27.757 1.00 33.14 ? 942 ASP A C 1 \nATOM 1915 O O . ASP A 1 250 ? 23.804 7.423 26.529 1.00 31.94 ? 942 ASP A O 1 \nATOM 1916 C CB . ASP A 1 250 ? 22.716 5.941 29.274 1.00 34.61 ? 942 ASP A CB 1 \nATOM 1917 C CG . ASP A 1 250 ? 22.882 4.975 30.427 1.00 57.33 ? 942 ASP A CG 1 \nATOM 1918 O OD1 . ASP A 1 250 ? 22.854 3.759 30.156 1.00 55.48 ? 942 ASP A OD1 1 \nATOM 1919 O OD2 . ASP A 1 250 ? 23.075 5.431 31.589 1.00 61.31 ? 942 ASP A OD2 1 \nATOM 1920 N N . VAL A 1 251 ? 23.575 8.782 28.316 1.00 31.75 ? 943 VAL A N 1 \nATOM 1921 C CA . VAL A 1 251 ? 23.296 9.965 27.488 1.00 32.99 ? 943 VAL A CA 1 \nATOM 1922 C C . VAL A 1 251 ? 24.574 10.469 26.835 1.00 32.91 ? 943 VAL A C 1 \nATOM 1923 O O . VAL A 1 251 ? 24.594 10.757 25.638 1.00 30.24 ? 943 VAL A O 1 \nATOM 1924 C CB . VAL A 1 251 ? 22.603 11.095 28.278 1.00 38.37 ? 943 VAL A CB 1 \nATOM 1925 C CG1 . VAL A 1 251 ? 22.510 12.373 27.438 1.00 34.73 ? 943 VAL A CG1 1 \nATOM 1926 C CG2 . VAL A 1 251 ? 21.217 10.649 28.705 1.00 36.83 ? 943 VAL A CG2 1 \nATOM 1927 N N . TYR A 1 252 ? 25.647 10.557 27.612 1.00 32.14 ? 944 TYR A N 1 \nATOM 1928 C CA . TYR A 1 252 ? 26.927 10.980 27.042 1.00 31.45 ? 944 TYR A CA 1 \nATOM 1929 C C . TYR A 1 252 ? 27.404 10.020 25.942 1.00 29.66 ? 944 TYR A C 1 \nATOM 1930 O O . TYR A 1 252 ? 27.973 10.463 24.949 1.00 30.29 ? 944 TYR A O 1 \nATOM 1931 C CB . TYR A 1 252 ? 27.964 11.172 28.146 1.00 31.25 ? 944 TYR A CB 1 \nATOM 1932 C CG . TYR A 1 252 ? 29.292 11.716 27.677 1.00 33.16 ? 944 TYR A CG 1 \nATOM 1933 C CD1 . TYR A 1 252 ? 30.480 11.078 28.026 1.00 38.27 ? 944 TYR A CD1 1 \nATOM 1934 C CD2 . TYR A 1 252 ? 29.363 12.874 26.876 1.00 30.07 ? 944 TYR A CD2 1 \nATOM 1935 C CE1 . TYR A 1 252 ? 31.701 11.576 27.611 1.00 34.59 ? 944 TYR A CE1 1 \nATOM 1936 C CE2 . TYR A 1 252 ? 30.586 13.381 26.456 1.00 30.25 ? 944 TYR A CE2 1 \nATOM 1937 C CZ . TYR A 1 252 ? 31.740 12.734 26.829 1.00 33.30 ? 944 TYR A CZ 1 \nATOM 1938 O OH . TYR A 1 252 ? 32.946 13.214 26.403 1.00 32.21 ? 944 TYR A OH 1 \nATOM 1939 N N . MET A 1 253 ? 27.179 8.710 26.113 1.00 28.39 ? 945 MET A N 1 \nATOM 1940 C CA . MET A 1 253 ? 27.573 7.751 25.079 1.00 31.97 ? 945 MET A CA 1 \nATOM 1941 C C . MET A 1 253 ? 26.931 8.061 23.738 1.00 36.65 ? 945 MET A C 1 \nATOM 1942 O O . MET A 1 253 ? 27.522 7.845 22.690 1.00 28.47 ? 945 MET A O 1 \nATOM 1943 C CB . MET A 1 253 ? 27.202 6.316 25.454 1.00 38.25 ? 945 MET A CB 1 \nATOM 1944 C CG . MET A 1 253 ? 28.192 5.594 26.346 1.00 55.75 ? 945 MET A CG 1 \nATOM 1945 S SD . MET A 1 253 ? 29.792 5.350 25.555 1.00 67.50 ? 945 MET A SD 1 \nATOM 1946 C CE . MET A 1 253 ? 30.653 6.763 26.204 1.00 33.80 ? 945 MET A CE 1 \nATOM 1947 N N . ILE A 1 254 ? 25.689 8.529 23.763 1.00 30.37 ? 946 ILE A N 1 \nATOM 1948 C CA . ILE A 1 254 ? 25.062 8.912 22.527 1.00 31.60 ? 946 ILE A CA 1 \nATOM 1949 C C . ILE A 1 254 ? 25.826 10.040 21.849 1.00 24.60 ? 946 ILE A C 1 \nATOM 1950 O O . ILE A 1 254 ? 26.081 9.958 20.654 1.00 26.88 ? 946 ILE A O 1 \nATOM 1951 C CB . ILE A 1 254 ? 23.604 9.359 22.747 1.00 34.97 ? 946 ILE A CB 1 \nATOM 1952 C CG1 . ILE A 1 254 ? 22.796 8.227 23.371 1.00 41.69 ? 946 ILE A CG1 1 \nATOM 1953 C CG2 . ILE A 1 254 ? 22.984 9.808 21.430 1.00 36.80 ? 946 ILE A CG2 1 \nATOM 1954 C CD1 . ILE A 1 254 ? 21.374 8.639 23.700 1.00 41.79 ? 946 ILE A CD1 1 \nATOM 1955 N N . MET A 1 255 ? 26.132 11.097 22.606 1.00 24.86 ? 947 MET A N 1 \nATOM 1956 C CA . MET A 1 255 ? 26.870 12.239 22.100 1.00 30.27 ? 947 MET A CA 1 \nATOM 1957 C C . MET A 1 255 ? 28.209 11.750 21.532 1.00 28.44 ? 947 MET A C 1 \nATOM 1958 O O . MET A 1 255 ? 28.639 12.157 20.443 1.00 29.20 ? 947 MET A O 1 \nATOM 1959 C CB . MET A 1 255 ? 27.147 13.237 23.233 1.00 31.12 ? 947 MET A CB 1 \nATOM 1960 C CG . MET A 1 255 ? 26.092 14.323 23.437 1.00 37.09 ? 947 MET A CG 1 \nATOM 1961 S SD . MET A 1 255 ? 26.416 15.215 24.976 1.00 41.55 ? 947 MET A SD 1 \nATOM 1962 C CE . MET A 1 255 ? 25.321 14.328 26.057 1.00 38.59 ? 947 MET A CE 1 \nATOM 1963 N N . VAL A 1 256 ? 28.856 10.867 22.284 1.00 27.85 ? 948 VAL A N 1 \nATOM 1964 C CA . VAL A 1 256 ? 30.157 10.315 21.867 1.00 28.13 ? 948 VAL A CA 1 \nATOM 1965 C C . VAL A 1 256 ? 30.089 9.557 20.548 1.00 25.79 ? 948 VAL A C 1 \nATOM 1966 O O . VAL A 1 256 ? 30.941 9.740 19.686 1.00 26.90 ? 948 VAL A O 1 \nATOM 1967 C CB . VAL A 1 256 ? 30.817 9.463 22.997 1.00 35.26 ? 948 VAL A CB 1 \nATOM 1968 C CG1 . VAL A 1 256 ? 32.037 8.701 22.473 1.00 32.02 ? 948 VAL A CG1 1 \nATOM 1969 C CG2 . VAL A 1 256 ? 31.236 10.376 24.148 1.00 32.56 ? 948 VAL A CG2 1 \nATOM 1970 N N . LYS A 1 257 ? 29.031 8.755 20.361 1.00 27.83 ? 949 LYS A N 1 \nATOM 1971 C CA . LYS A 1 257 ? 28.774 8.081 19.101 1.00 27.08 ? 949 LYS A CA 1 \nATOM 1972 C C . LYS A 1 257 ? 28.585 9.047 17.933 1.00 25.07 ? 949 LYS A C 1 \nATOM 1973 O O . LYS A 1 257 ? 29.025 8.744 16.823 1.00 24.22 ? 949 LYS A O 1 \nATOM 1974 C CB . LYS A 1 257 ? 27.539 7.151 19.198 1.00 30.67 ? 949 LYS A CB 1 \nATOM 1975 C CG . LYS A 1 257 ? 27.699 5.954 20.116 1.00 50.64 ? 949 LYS A CG 1 \nATOM 1976 C CD . LYS A 1 257 ? 26.468 5.062 20.040 1.00 51.67 ? 949 LYS A CD 1 \nATOM 1977 C CE . LYS A 1 257 ? 26.423 4.044 21.167 1.00 82.77 ? 949 LYS A CE 1 \nATOM 1978 N NZ . LYS A 1 257 ? 25.147 3.272 21.132 1.00 91.62 ? 949 LYS A NZ 1 \nATOM 1979 N N . CYS A 1 258 ? 27.916 10.191 18.177 1.00 25.41 ? 950 CYS A N 1 \nATOM 1980 C CA . CYS A 1 258 ? 27.705 11.180 17.129 1.00 19.95 ? 950 CYS A CA 1 \nATOM 1981 C C . CYS A 1 258 ? 29.041 11.770 16.638 1.00 23.74 ? 950 CYS A C 1 \nATOM 1982 O O . CYS A 1 258 ? 29.101 12.339 15.565 1.00 25.93 ? 950 CYS A O 1 \nATOM 1983 C CB . CYS A 1 258 ? 26.879 12.333 17.670 1.00 19.18 ? 950 CYS A CB 1 \nATOM 1984 S SG . CYS A 1 258 ? 25.132 11.865 17.902 1.00 27.36 ? 950 CYS A SG 1 \nATOM 1985 N N . TRP A 1 259 ? 30.088 11.654 17.440 1.00 26.52 ? 951 TRP A N 1 \nATOM 1986 C CA . TRP A 1 259 ? 31.397 12.217 17.056 1.00 25.40 ? 951 TRP A CA 1 \nATOM 1987 C C . TRP A 1 259 ? 32.490 11.223 16.667 1.00 26.10 ? 951 TRP A C 1 \nATOM 1988 O O . TRP A 1 259 ? 33.711 11.543 16.678 1.00 28.21 ? 951 TRP A O 1 \nATOM 1989 C CB . TRP A 1 259 ? 31.924 13.148 18.145 1.00 29.36 ? 951 TRP A CB 1 \nATOM 1990 C CG . TRP A 1 259 ? 30.945 14.182 18.676 1.00 26.70 ? 951 TRP A CG 1 \nATOM 1991 C CD1 . TRP A 1 259 ? 30.089 14.983 17.956 1.00 24.99 ? 951 TRP A CD1 1 \nATOM 1992 C CD2 . TRP A 1 259 ? 30.788 14.550 20.045 1.00 27.29 ? 951 TRP A CD2 1 \nATOM 1993 N NE1 . TRP A 1 259 ? 29.440 15.834 18.802 1.00 24.81 ? 951 TRP A NE1 1 \nATOM 1994 C CE2 . TRP A 1 259 ? 29.813 15.567 20.092 1.00 28.56 ? 951 TRP A CE2 1 \nATOM 1995 C CE3 . TRP A 1 259 ? 31.365 14.099 21.250 1.00 21.85 ? 951 TRP A CE3 1 \nATOM 1996 C CZ2 . TRP A 1 259 ? 29.396 16.145 21.294 1.00 29.28 ? 951 TRP A CZ2 1 \nATOM 1997 C CZ3 . TRP A 1 259 ? 30.964 14.656 22.427 1.00 26.79 ? 951 TRP A CZ3 1 \nATOM 1998 C CH2 . TRP A 1 259 ? 29.962 15.679 22.449 1.00 25.12 ? 951 TRP A CH2 1 \nATOM 1999 N N . MET A 1 260 ? 32.068 10.028 16.295 1.00 28.04 ? 952 MET A N 1 \nATOM 2000 C CA . MET A 1 260 ? 32.971 9.031 15.724 1.00 31.49 ? 952 MET A CA 1 \nATOM 2001 C C . MET A 1 260 ? 33.558 9.485 14.406 1.00 31.35 ? 952 MET A C 1 \nATOM 2002 O O . MET A 1 260 ? 32.898 10.092 13.574 1.00 22.79 ? 952 MET A O 1 \nATOM 2003 C CB . MET A 1 260 ? 32.235 7.699 15.549 1.00 29.84 ? 952 MET A CB 1 \nATOM 2004 C CG . MET A 1 260 ? 31.955 7.055 16.881 1.00 35.69 ? 952 MET A CG 1 \nATOM 2005 S SD . MET A 1 260 ? 31.264 5.418 16.645 1.00 50.21 ? 952 MET A SD 1 \nATOM 2006 C CE . MET A 1 260 ? 29.532 5.748 16.482 1.00 49.56 ? 952 MET A CE 1 \nATOM 2007 N N . ILE A 1 261 ? 34.849 9.215 14.207 1.00 26.28 ? 953 ILE A N 1 \nATOM 2008 C CA . ILE A 1 261 ? 35.477 9.572 12.945 1.00 26.84 ? 953 ILE A CA 1 \nATOM 2009 C C . ILE A 1 261 ? 34.795 8.949 11.721 1.00 26.04 ? 953 ILE A C 1 \nATOM 2010 O O . ILE A 1 261 ? 34.618 9.606 10.661 1.00 27.41 ? 953 ILE A O 1 \nATOM 2011 C CB . ILE A 1 261 ? 37.008 9.189 13.002 1.00 27.73 ? 953 ILE A CB 1 \nATOM 2012 C CG1 . ILE A 1 261 ? 37.730 10.036 14.057 1.00 41.78 ? 953 ILE A CG1 1 \nATOM 2013 C CG2 . ILE A 1 261 ? 37.658 9.347 11.637 1.00 34.33 ? 953 ILE A CG2 1 \nATOM 2014 C CD1 . ILE A 1 261 ? 37.358 11.509 14.059 1.00 44.58 ? 953 ILE A CD1 1 \nATOM 2015 N N . ASP A 1 262 ? 34.376 7.696 11.878 1.00 29.16 ? 954 ASP A N 1 \nATOM 2016 C CA . ASP A 1 262 ? 33.643 6.975 10.837 1.00 25.74 ? 954 ASP A CA 1 \nATOM 2017 C C . ASP A 1 262 ? 32.196 7.450 10.801 1.00 28.20 ? 954 ASP A C 1 \nATOM 2018 O O . ASP A 1 262 ? 31.405 7.040 11.644 1.00 28.96 ? 954 ASP A O 1 \nATOM 2019 C CB . ASP A 1 262 ? 33.681 5.473 11.100 1.00 29.26 ? 954 ASP A CB 1 \nATOM 2020 C CG . ASP A 1 262 ? 32.932 4.663 10.055 1.00 44.06 ? 954 ASP A CG 1 \nATOM 2021 O OD1 . ASP A 1 262 ? 32.812 3.447 10.275 1.00 41.62 ? 954 ASP A OD1 1 \nATOM 2022 O OD2 . ASP A 1 262 ? 32.448 5.217 9.035 1.00 48.86 ? 954 ASP A OD2 1 \nATOM 2023 N N . ALA A 1 263 ? 31.874 8.302 9.828 1.00 23.94 ? 955 ALA A N 1 \nATOM 2024 C CA . ALA A 1 263 ? 30.497 8.895 9.752 1.00 27.43 ? 955 ALA A CA 1 \nATOM 2025 C C . ALA A 1 263 ? 29.398 7.840 9.609 1.00 26.35 ? 955 ALA A C 1 \nATOM 2026 O O . ALA A 1 263 ? 28.243 8.053 10.075 1.00 28.83 ? 955 ALA A O 1 \nATOM 2027 C CB . ALA A 1 263 ? 30.425 9.862 8.584 1.00 28.45 ? 955 ALA A CB 1 \nATOM 2028 N N . ASP A 1 264 ? 29.709 6.752 8.874 1.00 26.69 ? 956 ASP A N 1 \nATOM 2029 C CA . ASP A 1 264 ? 28.798 5.640 8.673 1.00 35.35 ? 956 ASP A CA 1 \nATOM 2030 C C . ASP A 1 264 ? 28.457 4.912 9.979 1.00 40.99 ? 956 ASP A C 1 \nATOM 2031 O O . ASP A 1 264 ? 27.404 4.282 10.089 1.00 37.36 ? 956 ASP A O 1 \nATOM 2032 C CB . ASP A 1 264 ? 29.334 4.636 7.633 1.00 32.05 ? 956 ASP A CB 1 \nATOM 2033 C CG . ASP A 1 264 ? 29.294 5.172 6.206 1.00 36.02 ? 956 ASP A CG 1 \nATOM 2034 O OD1 . ASP A 1 264 ? 28.299 5.828 5.811 1.00 35.49 ? 956 ASP A OD1 1 \nATOM 2035 O OD2 . ASP A 1 264 ? 30.257 4.924 5.444 1.00 34.40 ? 956 ASP A OD2 1 \nATOM 2036 N N . SER A 1 265 ? 29.350 4.987 10.957 1.00 27.19 ? 957 SER A N 1 \nATOM 2037 C CA . SER A 1 265 ? 29.096 4.376 12.282 1.00 33.80 ? 957 SER A CA 1 \nATOM 2038 C C . SER A 1 265 ? 28.258 5.210 13.267 1.00 30.15 ? 957 SER A C 1 \nATOM 2039 O O . SER A 1 265 ? 27.822 4.689 14.294 1.00 29.39 ? 957 SER A O 1 \nATOM 2040 C CB . SER A 1 265 ? 30.420 3.971 12.943 1.00 38.98 ? 957 SER A CB 1 \nATOM 2041 O OG . SER A 1 265 ? 30.965 2.841 12.272 1.00 49.31 ? 957 SER A OG 1 \nATOM 2042 N N . ARG A 1 266 ? 28.104 6.507 12.989 1.00 24.60 ? 958 ARG A N 1 \nATOM 2043 C CA . ARG A 1 266 ? 27.427 7.421 13.874 1.00 22.34 ? 958 ARG A CA 1 \nATOM 2044 C C . ARG A 1 266 ? 25.958 6.978 13.823 1.00 26.19 ? 958 ARG A C 1 \nATOM 2045 O O . ARG A 1 266 ? 25.567 6.399 12.818 1.00 29.89 ? 958 ARG A O 1 \nATOM 2046 C CB . ARG A 1 266 ? 27.487 8.840 13.320 1.00 22.29 ? 958 ARG A CB 1 \nATOM 2047 C CG . ARG A 1 266 ? 28.877 9.471 13.416 1.00 26.42 ? 958 ARG A CG 1 \nATOM 2048 C CD . ARG A 1 266 ? 28.968 10.829 12.731 1.00 21.30 ? 958 ARG A CD 1 \nATOM 2049 N NE . ARG A 1 266 ? 30.421 11.064 12.508 1.00 23.89 ? 958 ARG A NE 1 \nATOM 2050 C CZ . ARG A 1 266 ? 30.895 11.848 11.556 1.00 24.19 ? 958 ARG A CZ 1 \nATOM 2051 N NH1 . ARG A 1 266 ? 32.214 11.950 11.405 1.00 25.65 ? 958 ARG A NH1 1 \nATOM 2052 N NH2 . ARG A 1 266 ? 30.062 12.523 10.754 1.00 24.53 ? 958 ARG A NH2 1 \nATOM 2053 N N . PRO A 1 267 ? 25.180 7.292 14.873 1.00 25.41 ? 959 PRO A N 1 \nATOM 2054 C CA . PRO A 1 267 ? 23.727 6.979 14.901 1.00 29.19 ? 959 PRO A CA 1 \nATOM 2055 C C . PRO A 1 267 ? 23.027 7.670 13.743 1.00 29.90 ? 959 PRO A C 1 \nATOM 2056 O O . PRO A 1 267 ? 23.515 8.685 13.220 1.00 29.85 ? 959 PRO A O 1 \nATOM 2057 C CB . PRO A 1 267 ? 23.253 7.611 16.218 1.00 27.16 ? 959 PRO A CB 1 \nATOM 2058 C CG . PRO A 1 267 ? 24.496 7.779 17.044 1.00 33.36 ? 959 PRO A CG 1 \nATOM 2059 C CD . PRO A 1 267 ? 25.558 8.113 16.031 1.00 25.57 ? 959 PRO A CD 1 \nATOM 2060 N N . LYS A 1 268 ? 21.865 7.156 13.352 1.00 29.28 ? 960 LYS A N 1 \nATOM 2061 C CA . LYS A 1 268 ? 21.033 7.865 12.390 1.00 30.63 ? 960 LYS A CA 1 \nATOM 2062 C C . LYS A 1 268 ? 19.933 8.641 13.110 1.00 31.70 ? 960 LYS A C 1 \nATOM 2063 O O . LYS A 1 268 ? 19.543 8.314 14.221 1.00 28.52 ? 960 LYS A O 1 \nATOM 2064 C CB . LYS A 1 268 ? 20.365 6.870 11.429 1.00 32.29 ? 960 LYS A CB 1 \nATOM 2065 C CG . LYS A 1 268 ? 21.313 5.899 10.741 1.00 36.44 ? 960 LYS A CG 1 \nATOM 2066 C CD . LYS A 1 268 ? 22.209 6.612 9.746 1.00 37.47 ? 960 LYS A CD 1 \nATOM 2067 C CE . LYS A 1 268 ? 23.462 5.782 9.499 1.00 48.14 ? 960 LYS A CE 1 \nATOM 2068 N NZ . LYS A 1 268 ? 23.127 4.504 8.814 1.00 57.44 ? 960 LYS A NZ 1 \nATOM 2069 N N . PHE A 1 269 ? 19.394 9.652 12.456 1.00 24.91 ? 961 PHE A N 1 \nATOM 2070 C CA . PHE A 1 269 ? 18.433 10.468 13.137 1.00 26.97 ? 961 PHE A CA 1 \nATOM 2071 C C . PHE A 1 269 ? 17.237 9.612 13.525 1.00 22.48 ? 961 PHE A C 1 \nATOM 2072 O O . PHE A 1 269 ? 16.689 9.800 14.595 1.00 26.85 ? 961 PHE A O 1 \nATOM 2073 C CB . PHE A 1 269 ? 18.014 11.643 12.277 1.00 33.43 ? 961 PHE A CB 1 \nATOM 2074 C CG . PHE A 1 269 ? 19.026 12.743 12.274 1.00 24.90 ? 961 PHE A CG 1 \nATOM 2075 C CD1 . PHE A 1 269 ? 19.358 13.369 13.466 1.00 23.94 ? 961 PHE A CD1 1 \nATOM 2076 C CD2 . PHE A 1 269 ? 19.630 13.143 11.093 1.00 24.13 ? 961 PHE A CD2 1 \nATOM 2077 C CE1 . PHE A 1 269 ? 20.352 14.358 13.498 1.00 26.04 ? 961 PHE A CE1 1 \nATOM 2078 C CE2 . PHE A 1 269 ? 20.554 14.165 11.109 1.00 27.17 ? 961 PHE A CE2 1 \nATOM 2079 C CZ . PHE A 1 269 ? 20.904 14.778 12.306 1.00 25.42 ? 961 PHE A CZ 1 \nATOM 2080 N N . ARG A 1 270 ? 16.913 8.620 12.705 1.00 24.16 ? 962 ARG A N 1 \nATOM 2081 C CA . ARG A 1 270 ? 15.698 7.803 12.997 1.00 32.45 ? 962 ARG A CA 1 \nATOM 2082 C C . ARG A 1 270 ? 15.979 7.043 14.307 1.00 35.66 ? 962 ARG A C 1 \nATOM 2083 O O . ARG A 1 270 ? 15.109 6.916 15.173 1.00 34.39 ? 962 ARG A O 1 \nATOM 2084 C CB . ARG A 1 270 ? 15.393 6.848 11.821 1.00 36.50 ? 962 ARG A CB 1 \nATOM 2085 C CG . ARG A 1 270 ? 16.445 5.762 11.594 1.00 48.32 ? 962 ARG A CG 1 \nATOM 2086 C CD . ARG A 1 270 ? 16.647 5.384 10.127 1.00 72.54 ? 962 ARG A CD 1 \nATOM 2087 N NE . ARG A 1 270 ? 17.491 6.337 9.388 1.00 61.27 ? 962 ARG A NE 1 \nATOM 2088 C CZ . ARG A 1 270 ? 18.232 6.030 8.322 1.00 64.43 ? 962 ARG A CZ 1 \nATOM 2089 N NH1 . ARG A 1 270 ? 18.264 4.780 7.865 1.00 77.99 ? 962 ARG A NH1 1 \nATOM 2090 N NH2 . ARG A 1 270 ? 18.964 6.968 7.716 1.00 54.18 ? 962 ARG A NH2 1 \nATOM 2091 N N . GLU A 1 271 ? 17.232 6.598 14.462 1.00 30.85 ? 963 GLU A N 1 \nATOM 2092 C CA . GLU A 1 271 ? 17.713 5.932 15.695 1.00 32.05 ? 963 GLU A CA 1 \nATOM 2093 C C . GLU A 1 271 ? 17.723 6.833 16.937 1.00 31.45 ? 963 GLU A C 1 \nATOM 2094 O O . GLU A 1 271 ? 17.424 6.388 18.040 1.00 29.54 ? 963 GLU A O 1 \nATOM 2095 C CB . GLU A 1 271 ? 19.123 5.344 15.466 1.00 37.66 ? 963 GLU A CB 1 \nATOM 2096 C CG . GLU A 1 271 ? 19.140 4.191 14.463 1.00 39.70 ? 963 GLU A CG 1 \nATOM 2097 C CD . GLU A 1 271 ? 20.539 3.774 14.022 1.00 60.45 ? 963 GLU A CD 1 \nATOM 2098 O OE1 . GLU A 1 271 ? 20.644 2.752 13.313 1.00 56.23 ? 963 GLU A OE1 1 \nATOM 2099 O OE2 . GLU A 1 271 ? 21.533 4.453 14.369 1.00 41.38 ? 963 GLU A OE2 1 \nATOM 2100 N N . LEU A 1 272 ? 18.100 8.096 16.762 1.00 25.31 ? 964 LEU A N 1 \nATOM 2101 C CA . LEU A 1 272 ? 18.184 9.032 17.859 1.00 26.32 ? 964 LEU A CA 1 \nATOM 2102 C C . LEU A 1 272 ? 16.778 9.424 18.328 1.00 26.13 ? 964 LEU A C 1 \nATOM 2103 O O . LEU A 1 272 ? 16.542 9.584 19.516 1.00 28.65 ? 964 LEU A O 1 \nATOM 2104 C CB . LEU A 1 272 ? 18.960 10.264 17.395 1.00 25.89 ? 964 LEU A CB 1 \nATOM 2105 C CG . LEU A 1 272 ? 20.460 10.072 17.111 1.00 28.60 ? 964 LEU A CG 1 \nATOM 2106 C CD1 . LEU A 1 272 ? 20.942 11.251 16.261 1.00 28.66 ? 964 LEU A CD1 1 \nATOM 2107 C CD2 . LEU A 1 272 ? 21.206 9.996 18.428 1.00 27.47 ? 964 LEU A CD2 1 \nATOM 2108 N N . ILE A 1 273 ? 15.848 9.508 17.390 1.00 28.34 ? 965 ILE A N 1 \nATOM 2109 C CA . ILE A 1 273 ? 14.435 9.745 17.762 1.00 26.46 ? 965 ILE A CA 1 \nATOM 2110 C C . ILE A 1 273 ? 13.987 8.624 18.726 1.00 30.61 ? 965 ILE A C 1 \nATOM 2111 O O . ILE A 1 273 ? 13.446 8.890 19.807 1.00 35.75 ? 965 ILE A O 1 \nATOM 2112 C CB . ILE A 1 273 ? 13.507 9.775 16.531 1.00 25.40 ? 965 ILE A CB 1 \nATOM 2113 C CG1 . ILE A 1 273 ? 13.784 10.979 15.618 1.00 25.97 ? 965 ILE A CG1 1 \nATOM 2114 C CG2 . ILE A 1 273 ? 12.032 9.811 17.000 1.00 25.35 ? 965 ILE A CG2 1 \nATOM 2115 C CD1 . ILE A 1 273 ? 13.176 10.873 14.232 1.00 30.34 ? 965 ILE A CD1 1 \nATOM 2116 N N . ILE A 1 274 ? 14.233 7.375 18.338 1.00 29.68 ? 966 ILE A N 1 \nATOM 2117 C CA . ILE A 1 274 ? 13.841 6.221 19.176 1.00 33.21 ? 966 ILE A CA 1 \nATOM 2118 C C . ILE A 1 274 ? 14.534 6.232 20.529 1.00 36.70 ? 966 ILE A C 1 \nATOM 2119 O O . ILE A 1 274 ? 13.885 6.070 21.549 1.00 31.29 ? 966 ILE A O 1 \nATOM 2120 C CB . ILE A 1 274 ? 14.066 4.878 18.435 1.00 37.90 ? 966 ILE A CB 1 \nATOM 2121 C CG1 . ILE A 1 274 ? 13.175 4.837 17.184 1.00 35.13 ? 966 ILE A CG1 1 \nATOM 2122 C CG2 . ILE A 1 274 ? 13.825 3.690 19.359 1.00 38.22 ? 966 ILE A CG2 1 \nATOM 2123 C CD1 . ILE A 1 274 ? 13.473 3.718 16.211 1.00 39.64 ? 966 ILE A CD1 1 \nATOM 2124 N N . GLU A 1 275 ? 15.857 6.436 20.546 1.00 29.87 ? 967 GLU A N 1 \nATOM 2125 C CA . GLU A 1 275 ? 16.596 6.395 21.799 1.00 30.45 ? 967 GLU A CA 1 \nATOM 2126 C C . GLU A 1 275 ? 16.229 7.514 22.744 1.00 27.32 ? 967 GLU A C 1 \nATOM 2127 O O . GLU A 1 275 ? 16.050 7.279 23.938 1.00 31.31 ? 967 GLU A O 1 \nATOM 2128 C CB . GLU A 1 275 ? 18.118 6.417 21.550 1.00 29.82 ? 967 GLU A CB 1 \nATOM 2129 C CG . GLU A 1 275 ? 18.888 6.111 22.833 1.00 41.91 ? 967 GLU A CG 1 \nATOM 2130 C CD . GLU A 1 275 ? 20.220 5.413 22.612 1.00 67.96 ? 967 GLU A CD 1 \nATOM 2131 O OE1 . GLU A 1 275 ? 20.706 5.384 21.459 1.00 72.73 ? 967 GLU A OE1 1 \nATOM 2132 O OE2 . GLU A 1 275 ? 20.787 4.895 23.605 1.00 71.12 ? 967 GLU A OE2 1 \nATOM 2133 N N . PHE A 1 276 ? 16.157 8.746 22.244 1.00 25.09 ? 968 PHE A N 1 \nATOM 2134 C CA . PHE A 1 276 ? 15.799 9.825 23.118 1.00 24.70 ? 968 PHE A CA 1 \nATOM 2135 C C . PHE A 1 276 ? 14.334 9.732 23.526 1.00 27.77 ? 968 PHE A C 1 \nATOM 2136 O O . PHE A 1 276 ? 13.984 10.202 24.602 1.00 33.79 ? 968 PHE A O 1 \nATOM 2137 C CB . PHE A 1 276 ? 16.098 11.200 22.519 1.00 29.04 ? 968 PHE A CB 1 \nATOM 2138 C CG . PHE A 1 276 ? 17.534 11.615 22.687 1.00 26.08 ? 968 PHE A CG 1 \nATOM 2139 C CD1 . PHE A 1 276 ? 17.986 12.107 23.923 1.00 28.02 ? 968 PHE A CD1 1 \nATOM 2140 C CD2 . PHE A 1 276 ? 18.414 11.523 21.643 1.00 31.48 ? 968 PHE A CD2 1 \nATOM 2141 C CE1 . PHE A 1 276 ? 19.312 12.484 24.098 1.00 37.91 ? 968 PHE A CE1 1 \nATOM 2142 C CE2 . PHE A 1 276 ? 19.764 11.894 21.814 1.00 28.57 ? 968 PHE A CE2 1 \nATOM 2143 C CZ . PHE A 1 276 ? 20.193 12.375 23.040 1.00 28.34 ? 968 PHE A CZ 1 \nATOM 2144 N N . SER A 1 277 ? 13.498 9.131 22.682 1.00 30.87 ? 969 SER A N 1 \nATOM 2145 C CA . SER A 1 277 ? 12.068 8.965 23.060 1.00 33.85 ? 969 SER A CA 1 \nATOM 2146 C C . SER A 1 277 ? 11.898 7.999 24.228 1.00 33.17 ? 969 SER A C 1 \nATOM 2147 O O . SER A 1 277 ? 11.093 8.243 25.128 1.00 34.84 ? 969 SER A O 1 \nATOM 2148 C CB . SER A 1 277 ? 11.181 8.532 21.883 1.00 32.06 ? 969 SER A CB 1 \nATOM 2149 O OG . SER A 1 277 ? 10.991 9.585 20.955 1.00 33.02 ? 969 SER A OG 1 \nATOM 2150 N N . LYS A 1 278 ? 12.652 6.908 24.205 1.00 32.14 ? 970 LYS A N 1 \nATOM 2151 C CA . LYS A 1 278 ? 12.703 5.961 25.309 1.00 37.37 ? 970 LYS A CA 1 \nATOM 2152 C C . LYS A 1 278 ? 13.193 6.609 26.609 1.00 39.04 ? 970 LYS A C 1 \nATOM 2153 O O . LYS A 1 278 ? 12.638 6.378 27.685 1.00 34.22 ? 970 LYS A O 1 \nATOM 2154 C CB . LYS A 1 278 ? 13.586 4.781 24.930 1.00 44.71 ? 970 LYS A CB 1 \nATOM 2155 C CG . LYS A 1 278 ? 13.514 3.603 25.888 1.00 54.40 ? 970 LYS A CG 1 \nATOM 2156 C CD . LYS A 1 278 ? 14.842 2.871 25.914 1.00 66.75 ? 970 LYS A CD 1 \nATOM 2157 C CE . LYS A 1 278 ? 15.858 3.647 26.735 1.00 61.14 ? 970 LYS A CE 1 \nATOM 2158 N NZ . LYS A 1 278 ? 17.221 3.578 26.145 1.00 57.30 ? 970 LYS A NZ 1 \nATOM 2159 N N . MET A 1 279 ? 14.221 7.447 26.507 1.00 34.27 ? 971 MET A N 1 \nATOM 2160 C CA . MET A 1 279 ? 14.714 8.170 27.667 1.00 38.53 ? 971 MET A CA 1 \nATOM 2161 C C . MET A 1 279 ? 13.699 9.182 28.205 1.00 36.40 ? 971 MET A C 1 \nATOM 2162 O O . MET A 1 279 ? 13.541 9.326 29.421 1.00 37.01 ? 971 MET A O 1 \nATOM 2163 C CB . MET A 1 279 ? 16.045 8.860 27.343 1.00 32.59 ? 971 MET A CB 1 \nATOM 2164 C CG . MET A 1 279 ? 17.187 7.876 27.201 1.00 37.63 ? 971 MET A CG 1 \nATOM 2165 S SD . MET A 1 279 ? 18.730 8.693 26.743 1.00 42.65 ? 971 MET A SD 1 \nATOM 2166 C CE . MET A 1 279 ? 19.755 7.243 26.504 1.00 41.03 ? 971 MET A CE 1 \nATOM 2167 N N . ALA A 1 280 ? 13.022 9.881 27.306 1.00 35.63 ? 972 ALA A N 1 \nATOM 2168 C CA . ALA A 1 280 ? 12.009 10.863 27.707 1.00 40.29 ? 972 ALA A CA 1 \nATOM 2169 C C . ALA A 1 280 ? 10.846 10.214 28.471 1.00 39.74 ? 972 ALA A C 1 \nATOM 2170 O O . ALA A 1 280 ? 10.048 10.905 29.100 1.00 41.83 ? 972 ALA A O 1 \nATOM 2171 C CB . ALA A 1 280 ? 11.484 11.612 26.501 1.00 36.65 ? 972 ALA A CB 1 \nATOM 2172 N N . ARG A 1 281 ? 10.763 8.890 28.411 1.00 38.80 ? 973 ARG A N 1 \nATOM 2173 C CA . ARG A 1 281 ? 9.721 8.145 29.122 1.00 45.17 ? 973 ARG A CA 1 \nATOM 2174 C C . ARG A 1 281 ? 10.071 7.938 30.587 1.00 46.95 ? 973 ARG A C 1 \nATOM 2175 O O . ARG A 1 281 ? 9.193 7.680 31.408 1.00 46.82 ? 973 ARG A O 1 \nATOM 2176 C CB . ARG A 1 281 ? 9.460 6.799 28.448 1.00 49.11 ? 973 ARG A CB 1 \nATOM 2177 C CG . ARG A 1 281 ? 8.497 6.894 27.281 1.00 63.00 ? 973 ARG A CG 1 \nATOM 2178 C CD . ARG A 1 281 ? 8.006 5.523 26.852 1.00 68.86 ? 973 ARG A CD 1 \nATOM 2179 N NE . ARG A 1 281 ? 8.972 4.845 25.992 1.00 74.80 ? 973 ARG A NE 1 \nATOM 2180 C CZ . ARG A 1 281 ? 9.147 5.112 24.699 1.00 74.25 ? 973 ARG A CZ 1 \nATOM 2181 N NH1 . ARG A 1 281 ? 8.426 6.054 24.094 1.00 60.78 ? 973 ARG A NH1 1 \nATOM 2182 N NH2 . ARG A 1 281 ? 10.052 4.439 24.007 1.00 62.58 ? 973 ARG A NH2 1 \nATOM 2183 N N . ASP A 1 282 ? 11.356 8.059 30.913 1.00 44.27 ? 974 ASP A N 1 \nATOM 2184 C CA . ASP A 1 282 ? 11.825 7.902 32.281 1.00 40.09 ? 974 ASP A CA 1 \nATOM 2185 C C . ASP A 1 282 ? 12.989 8.886 32.485 1.00 43.22 ? 974 ASP A C 1 \nATOM 2186 O O . ASP A 1 282 ? 14.125 8.467 32.685 1.00 44.56 ? 974 ASP A O 1 \nATOM 2187 C CB . ASP A 1 282 ? 12.254 6.440 32.496 1.00 49.38 ? 974 ASP A CB 1 \nATOM 2188 C CG . ASP A 1 282 ? 12.701 6.146 33.922 1.00 50.59 ? 974 ASP A CG 1 \nATOM 2189 O OD1 . ASP A 1 282 ? 12.452 6.968 34.825 1.00 48.82 ? 974 ASP A OD1 1 \nATOM 2190 O OD2 . ASP A 1 282 ? 13.317 5.076 34.134 1.00 59.91 ? 974 ASP A OD2 1 \nATOM 2191 N N . PRO A 1 283 ? 12.706 10.199 32.427 1.00 47.74 ? 975 PRO A N 1 \nATOM 2192 C CA . PRO A 1 283 ? 13.787 11.200 32.291 1.00 38.86 ? 975 PRO A CA 1 \nATOM 2193 C C . PRO A 1 283 ? 14.784 11.235 33.452 1.00 49.16 ? 975 PRO A C 1 \nATOM 2194 O O . PRO A 1 283 ? 15.972 11.511 33.256 1.00 35.53 ? 975 PRO A O 1 \nATOM 2195 C CB . PRO A 1 283 ? 13.033 12.530 32.189 1.00 42.70 ? 975 PRO A CB 1 \nATOM 2196 C CG . PRO A 1 283 ? 11.678 12.271 32.763 1.00 40.71 ? 975 PRO A CG 1 \nATOM 2197 C CD . PRO A 1 283 ? 11.371 10.826 32.491 1.00 37.78 ? 975 PRO A CD 1 \nATOM 2198 N N . GLN A 1 284 ? 14.305 10.943 34.654 1.00 46.37 ? 976 GLN A N 1 \nATOM 2199 C CA . GLN A 1 284 ? 15.132 11.037 35.844 1.00 44.65 ? 976 GLN A CA 1 \nATOM 2200 C C . GLN A 1 284 ? 16.125 9.898 35.976 1.00 44.99 ? 976 GLN A C 1 \nATOM 2201 O O . GLN A 1 284 ? 17.103 10.018 36.712 1.00 46.21 ? 976 GLN A O 1 \nATOM 2202 C CB . GLN A 1 284 ? 14.268 11.228 37.092 1.00 49.69 ? 976 GLN A CB 1 \nATOM 2203 C CG . GLN A 1 284 ? 13.475 12.530 37.034 1.00 56.06 ? 976 GLN A CG 1 \nATOM 2204 C CD . GLN A 1 284 ? 12.517 12.716 38.191 1.00 63.88 ? 976 GLN A CD 1 \nATOM 2205 O OE1 . GLN A 1 284 ? 11.316 12.930 37.993 1.00 71.50 ? 976 GLN A OE1 1 \nATOM 2206 N NE2 . GLN A 1 284 ? 13.039 12.644 39.403 1.00 50.50 ? 976 GLN A NE2 1 \nATOM 2207 N N . ARG A 1 285 ? 15.884 8.808 35.243 1.00 42.74 ? 977 ARG A N 1 \nATOM 2208 C CA . ARG A 1 285 ? 16.888 7.757 35.069 1.00 45.63 ? 977 ARG A CA 1 \nATOM 2209 C C . ARG A 1 285 ? 18.112 8.246 34.274 1.00 43.53 ? 977 ARG A C 1 \nATOM 2210 O O . ARG A 1 285 ? 19.234 7.782 34.496 1.00 42.89 ? 977 ARG A O 1 \nATOM 2211 C CB . ARG A 1 285 ? 16.281 6.535 34.364 1.00 45.27 ? 977 ARG A CB 1 \nATOM 2212 C CG . ARG A 1 285 ? 17.132 5.283 34.472 1.00 46.22 ? 977 ARG A CG 1 \nATOM 2213 C CD . ARG A 1 285 ? 16.596 4.107 33.671 1.00 54.73 ? 977 ARG A CD 1 \nATOM 2214 N NE . ARG A 1 285 ? 17.709 3.226 33.297 1.00 57.38 ? 977 ARG A NE 1 \nATOM 2215 C CZ . ARG A 1 285 ? 17.623 2.135 32.532 1.00 64.89 ? 977 ARG A CZ 1 \nATOM 2216 N NH1 . ARG A 1 285 ? 18.720 1.429 32.275 1.00 58.85 ? 977 ARG A NH1 1 \nATOM 2217 N NH2 . ARG A 1 285 ? 16.465 1.744 32.016 1.00 46.96 ? 977 ARG A NH2 1 \nATOM 2218 N N . TYR A 1 286 ? 17.904 9.187 33.354 1.00 45.93 ? 978 TYR A N 1 \nATOM 2219 C CA . TYR A 1 286 ? 18.962 9.530 32.383 1.00 38.90 ? 978 TYR A CA 1 \nATOM 2220 C C . TYR A 1 286 ? 19.665 10.872 32.595 1.00 39.82 ? 978 TYR A C 1 \nATOM 2221 O O . TYR A 1 286 ? 20.848 11.039 32.216 1.00 32.24 ? 978 TYR A O 1 \nATOM 2222 C CB . TYR A 1 286 ? 18.411 9.401 30.966 1.00 35.50 ? 978 TYR A CB 1 \nATOM 2223 C CG . TYR A 1 286 ? 17.969 7.990 30.665 1.00 38.93 ? 978 TYR A CG 1 \nATOM 2224 C CD1 . TYR A 1 286 ? 16.619 7.628 30.743 1.00 41.70 ? 978 TYR A CD1 1 \nATOM 2225 C CD2 . TYR A 1 286 ? 18.900 7.009 30.321 1.00 39.01 ? 978 TYR A CD2 1 \nATOM 2226 C CE1 . TYR A 1 286 ? 16.211 6.324 30.474 1.00 40.99 ? 978 TYR A CE1 1 \nATOM 2227 C CE2 . TYR A 1 286 ? 18.500 5.699 30.064 1.00 43.77 ? 978 TYR A CE2 1 \nATOM 2228 C CZ . TYR A 1 286 ? 17.154 5.369 30.140 1.00 47.30 ? 978 TYR A CZ 1 \nATOM 2229 O OH . TYR A 1 286 ? 16.756 4.081 29.863 1.00 43.86 ? 978 TYR A OH 1 \nATOM 2230 N N . LEU A 1 287 ? 18.938 11.822 33.181 1.00 32.08 ? 979 LEU A N 1 \nATOM 2231 C CA . LEU A 1 287 ? 19.534 13.110 33.578 1.00 32.15 ? 979 LEU A CA 1 \nATOM 2232 C C . LEU A 1 287 ? 19.379 13.331 35.074 1.00 37.34 ? 979 LEU A C 1 \nATOM 2233 O O . LEU A 1 287 ? 18.300 13.095 35.640 1.00 40.97 ? 979 LEU A O 1 \nATOM 2234 C CB . LEU A 1 287 ? 18.920 14.286 32.787 1.00 32.90 ? 979 LEU A CB 1 \nATOM 2235 C CG . LEU A 1 287 ? 19.028 14.222 31.257 1.00 37.92 ? 979 LEU A CG 1 \nATOM 2236 C CD1 . LEU A 1 287 ? 18.289 15.375 30.604 1.00 34.76 ? 979 LEU A CD1 1 \nATOM 2237 C CD2 . LEU A 1 287 ? 20.481 14.218 30.787 1.00 30.23 ? 979 LEU A CD2 1 \nATOM 2238 N N . VAL A 1 288 ? 20.460 13.780 35.710 1.00 35.35 ? 980 VAL A N 1 \nATOM 2239 C CA . VAL A 1 288 ? 20.490 14.006 37.150 1.00 41.00 ? 980 VAL A CA 1 \nATOM 2240 C C . VAL A 1 288 ? 20.533 15.506 37.424 1.00 40.10 ? 980 VAL A C 1 \nATOM 2241 O O . VAL A 1 288 ? 21.585 16.134 37.309 1.00 40.40 ? 980 VAL A O 1 \nATOM 2242 C CB . VAL A 1 288 ? 21.692 13.297 37.827 1.00 41.35 ? 980 VAL A CB 1 \nATOM 2243 C CG1 . VAL A 1 288 ? 21.594 13.413 39.343 1.00 47.67 ? 980 VAL A CG1 1 \nATOM 2244 C CG2 . VAL A 1 288 ? 21.748 11.832 37.428 1.00 44.11 ? 980 VAL A CG2 1 \nATOM 2245 N N . ILE A 1 289 ? 19.380 16.067 37.785 1.00 38.21 ? 981 ILE A N 1 \nATOM 2246 C CA . ILE A 1 289 ? 19.229 17.500 38.005 1.00 41.44 ? 981 ILE A CA 1 \nATOM 2247 C C . ILE A 1 289 ? 18.665 17.708 39.411 1.00 50.08 ? 981 ILE A C 1 \nATOM 2248 O O . ILE A 1 289 ? 17.603 17.179 39.731 1.00 46.16 ? 981 ILE A O 1 \nATOM 2249 C CB . ILE A 1 289 ? 18.273 18.126 36.956 1.00 43.63 ? 981 ILE A CB 1 \nATOM 2250 C CG1 . ILE A 1 289 ? 18.811 17.912 35.526 1.00 40.45 ? 981 ILE A CG1 1 \nATOM 2251 C CG2 . ILE A 1 289 ? 18.020 19.603 37.244 1.00 44.86 ? 981 ILE A CG2 1 \nATOM 2252 C CD1 . ILE A 1 289 ? 17.808 18.200 34.428 1.00 44.41 ? 981 ILE A CD1 1 \nATOM 2253 N N . GLN A 1 290 ? 19.367 18.469 40.247 1.00 50.83 ? 982 GLN A N 1 \nATOM 2254 C CA . GLN A 1 290 ? 18.880 18.741 41.600 1.00 51.62 ? 982 GLN A CA 1 \nATOM 2255 C C . GLN A 1 290 ? 17.574 19.526 41.551 1.00 55.46 ? 982 GLN A C 1 \nATOM 2256 O O . GLN A 1 290 ? 17.480 20.552 40.874 1.00 57.81 ? 982 GLN A O 1 \nATOM 2257 C CB . GLN A 1 290 ? 19.919 19.503 42.417 1.00 66.60 ? 982 GLN A CB 1 \nATOM 2258 C CG . GLN A 1 290 ? 19.629 19.481 43.912 1.00 84.41 ? 982 GLN A CG 1 \nATOM 2259 C CD . GLN A 1 290 ? 20.596 20.323 44.721 1.00 91.98 ? 982 GLN A CD 1 \nATOM 2260 O OE1 . GLN A 1 290 ? 20.963 21.428 44.321 1.00 79.66 ? 982 GLN A OE1 1 \nATOM 2261 N NE2 . GLN A 1 290 ? 21.005 19.805 45.874 1.00 98.17 ? 982 GLN A NE2 1 \nATOM 2262 N N . GLY A 1 291 ? 16.564 19.031 42.260 1.00 57.34 ? 983 GLY A N 1 \nATOM 2263 C CA . GLY A 1 291 ? 15.272 19.707 42.324 1.00 58.56 ? 983 GLY A CA 1 \nATOM 2264 C C . GLY A 1 291 ? 14.382 19.380 41.140 1.00 64.74 ? 983 GLY A C 1 \nATOM 2265 O O . GLY A 1 291 ? 13.302 19.957 40.991 1.00 57.96 ? 983 GLY A O 1 \nATOM 2266 N N . ASP A 1 292 ? 14.829 18.429 40.319 1.00 58.41 ? 984 ASP A N 1 \nATOM 2267 C CA . ASP A 1 292 ? 14.153 18.052 39.082 1.00 50.51 ? 984 ASP A CA 1 \nATOM 2268 C C . ASP A 1 292 ? 12.631 17.979 39.234 1.00 54.41 ? 984 ASP A C 1 \nATOM 2269 O O . ASP A 1 292 ? 11.900 18.579 38.444 1.00 54.82 ? 984 ASP A O 1 \nATOM 2270 C CB . ASP A 1 292 ? 14.706 16.714 38.572 1.00 41.18 ? 984 ASP A CB 1 \nATOM 2271 C CG . ASP A 1 292 ? 14.494 16.510 37.081 1.00 51.31 ? 984 ASP A CG 1 \nATOM 2272 O OD1 . ASP A 1 292 ? 13.942 17.406 36.407 1.00 55.80 ? 984 ASP A OD1 1 \nATOM 2273 O OD2 . ASP A 1 292 ? 14.890 15.434 36.583 1.00 53.67 ? 984 ASP A OD2 1 \nATOM 2274 N N . GLU A 1 293 ? 12.168 17.250 40.250 1.00 61.44 ? 985 GLU A N 1 \nATOM 2275 C CA . GLU A 1 293 ? 10.734 17.068 40.514 1.00 75.39 ? 985 GLU A CA 1 \nATOM 2276 C C . GLU A 1 293 ? 9.997 18.398 40.742 1.00 70.39 ? 985 GLU A C 1 \nATOM 2277 O O . GLU A 1 293 ? 8.878 18.582 40.260 1.00 71.81 ? 985 GLU A O 1 \nATOM 2278 C CB . GLU A 1 293 ? 10.529 16.127 41.710 1.00 87.47 ? 985 GLU A CB 1 \nATOM 2279 C CG . GLU A 1 293 ? 9.132 15.530 41.829 1.00 106.30 ? 985 GLU A CG 1 \nATOM 2280 C CD . GLU A 1 293 ? 8.910 14.338 40.911 1.00 119.07 ? 985 GLU A CD 1 \nATOM 2281 O OE1 . GLU A 1 293 ? 9.723 13.387 40.948 1.00 109.24 ? 985 GLU A OE1 1 \nATOM 2282 O OE2 . GLU A 1 293 ? 7.911 14.345 40.160 1.00 120.64 ? 985 GLU A OE2 1 \nATOM 2283 N N . ARG A 1 294 ? 10.636 19.315 41.465 1.00 70.04 ? 986 ARG A N 1 \nATOM 2284 C CA . ARG A 1 294 ? 10.063 20.626 41.770 1.00 74.49 ? 986 ARG A CA 1 \nATOM 2285 C C . ARG A 1 294 ? 10.618 21.720 40.852 1.00 82.24 ? 986 ARG A C 1 \nATOM 2286 O O . ARG A 1 294 ? 11.241 22.679 41.317 1.00 98.92 ? 986 ARG A O 1 \nATOM 2287 C CB . ARG A 1 294 ? 10.291 20.990 43.249 1.00 78.16 ? 986 ARG A CB 1 \nATOM 2288 C CG . ARG A 1 294 ? 9.347 20.310 44.236 1.00 89.52 ? 986 ARG A CG 1 \nATOM 2289 C CD . ARG A 1 294 ? 9.857 18.947 44.685 1.00 91.30 ? 986 ARG A CD 1 \nATOM 2290 N NE . ARG A 1 294 ? 10.823 19.046 45.780 1.00 105.11 ? 986 ARG A NE 1 \nATOM 2291 C CZ . ARG A 1 294 ? 10.561 18.740 47.050 1.00 116.04 ? 986 ARG A CZ 1 \nATOM 2292 N NH1 . ARG A 1 294 ? 9.358 18.302 47.404 1.00 113.63 ? 986 ARG A NH1 1 \nATOM 2293 N NH2 . ARG A 1 294 ? 11.509 18.865 47.973 1.00 102.80 ? 986 ARG A NH2 1 \nATOM 2294 N N . MET A 1 295 ? 10.395 21.570 39.548 1.00 81.34 ? 987 MET A N 1 \nATOM 2295 C CA . MET A 1 295 ? 10.823 22.582 38.579 1.00 74.92 ? 987 MET A CA 1 \nATOM 2296 C C . MET A 1 295 ? 9.706 23.056 37.667 1.00 78.05 ? 987 MET A C 1 \nATOM 2297 O O . MET A 1 295 ? 9.112 22.272 36.924 1.00 65.68 ? 987 MET A O 1 \nATOM 2298 C CB . MET A 1 295 ? 12.022 22.112 37.756 1.00 80.36 ? 987 MET A CB 1 \nATOM 2299 C CG . MET A 1 295 ? 13.333 22.695 38.244 1.00 67.52 ? 987 MET A CG 1 \nATOM 2300 S SD . MET A 1 295 ? 14.745 21.861 37.521 1.00 74.21 ? 987 MET A SD 1 \nATOM 2301 C CE . MET A 1 295 ? 16.070 22.517 38.532 1.00 74.56 ? 987 MET A CE 1 \nATOM 2302 N N . HIS A 1 296 ? 9.450 24.356 37.730 1.00 94.20 ? 988 HIS A N 1 \nATOM 2303 C CA . HIS A 1 296 ? 8.340 24.980 37.028 1.00 94.97 ? 988 HIS A CA 1 \nATOM 2304 C C . HIS A 1 296 ? 8.871 25.986 36.014 1.00 76.90 ? 988 HIS A C 1 \nATOM 2305 O O . HIS A 1 296 ? 9.596 26.914 36.376 1.00 78.04 ? 988 HIS A O 1 \nATOM 2306 C CB . HIS A 1 296 ? 7.414 25.673 38.040 1.00 115.88 ? 988 HIS A CB 1 \nATOM 2307 C CG . HIS A 1 296 ? 8.135 26.558 39.016 1.00 132.41 ? 988 HIS A CG 1 \nATOM 2308 N ND1 . HIS A 1 296 ? 8.836 26.062 40.095 1.00 126.55 ? 988 HIS A ND1 1 \nATOM 2309 C CD2 . HIS A 1 296 ? 8.264 27.905 39.071 1.00 128.35 ? 988 HIS A CD2 1 \nATOM 2310 C CE1 . HIS A 1 296 ? 9.366 27.065 40.772 1.00 120.82 ? 988 HIS A CE1 1 \nATOM 2311 N NE2 . HIS A 1 296 ? 9.034 28.194 40.172 1.00 121.40 ? 988 HIS A NE2 1 \nATOM 2312 N N . LEU A 1 297 ? 8.529 25.798 34.744 1.00 61.44 ? 989 LEU A N 1 \nATOM 2313 C CA . LEU A 1 297 ? 8.944 26.763 33.728 1.00 72.63 ? 989 LEU A CA 1 \nATOM 2314 C C . LEU A 1 297 ? 8.065 28.009 33.747 1.00 85.75 ? 989 LEU A C 1 \nATOM 2315 O O . LEU A 1 297 ? 6.834 27.894 33.749 1.00 68.16 ? 989 LEU A O 1 \nATOM 2316 C CB . LEU A 1 297 ? 8.997 26.145 32.325 1.00 67.66 ? 989 LEU A CB 1 \nATOM 2317 C CG . LEU A 1 297 ? 10.311 25.454 31.936 1.00 67.91 ? 989 LEU A CG 1 \nATOM 2318 C CD1 . LEU A 1 297 ? 10.234 25.008 30.488 1.00 65.81 ? 989 LEU A CD1 1 \nATOM 2319 C CD2 . LEU A 1 297 ? 11.531 26.344 32.152 1.00 50.84 ? 989 LEU A CD2 1 \nATOM 2320 N N . PRO A 1 298 ? 8.700 29.202 33.773 1.00 86.52 ? 990 PRO A N 1 \nATOM 2321 C CA . PRO A 1 298 ? 7.985 30.476 33.786 1.00 89.95 ? 990 PRO A CA 1 \nATOM 2322 C C . PRO A 1 298 ? 7.082 30.614 32.576 1.00 85.79 ? 990 PRO A C 1 \nATOM 2323 O O . PRO A 1 298 ? 7.395 30.085 31.505 1.00 80.02 ? 990 PRO A O 1 \nATOM 2324 C CB . PRO A 1 298 ? 9.110 31.515 33.708 1.00 92.65 ? 990 PRO A CB 1 \nATOM 2325 C CG . PRO A 1 298 ? 10.305 30.821 34.259 1.00 91.35 ? 990 PRO A CG 1 \nATOM 2326 C CD . PRO A 1 298 ? 10.161 29.400 33.802 1.00 83.38 ? 990 PRO A CD 1 \nATOM 2327 N N . SER A 1 299 ? 5.965 31.312 32.762 1.00 84.48 ? 991 SER A N 1 \nATOM 2328 C CA . SER A 1 299 ? 5.051 31.639 31.676 1.00 93.44 ? 991 SER A CA 1 \nATOM 2329 C C . SER A 1 299 ? 5.854 32.156 30.482 1.00 92.51 ? 991 SER A C 1 \nATOM 2330 O O . SER A 1 299 ? 6.660 33.080 30.632 1.00 91.73 ? 991 SER A O 1 \nATOM 2331 C CB . SER A 1 299 ? 4.032 32.684 32.138 1.00 98.17 ? 991 SER A CB 1 \nATOM 2332 O OG . SER A 1 299 ? 3.057 32.924 31.141 1.00 92.32 ? 991 SER A OG 1 \nATOM 2333 N N . PRO A 1 300 ? 5.655 31.541 29.299 1.00 96.28 ? 992 PRO A N 1 \nATOM 2334 C CA . PRO A 1 300 ? 6.471 31.836 28.118 1.00 93.22 ? 992 PRO A CA 1 \nATOM 2335 C C . PRO A 1 300 ? 6.521 33.327 27.773 1.00 101.42 ? 992 PRO A C 1 \nATOM 2336 O O . PRO A 1 300 ? 7.588 33.832 27.417 1.00 105.40 ? 992 PRO A O 1 \nATOM 2337 C CB . PRO A 1 300 ? 5.781 31.044 26.999 1.00 89.86 ? 992 PRO A CB 1 \nATOM 2338 C CG . PRO A 1 300 ? 5.037 29.959 27.697 1.00 95.22 ? 992 PRO A CG 1 \nATOM 2339 C CD . PRO A 1 300 ? 4.610 30.540 29.012 1.00 100.69 ? 992 PRO A CD 1 \nATOM 2340 N N . THR A 1 301 ? 5.386 34.019 27.896 1.00 81.78 ? 993 THR A N 1 \nATOM 2341 C CA . THR A 1 301 ? 5.290 35.439 27.527 1.00 91.40 ? 993 THR A CA 1 \nATOM 2342 C C . THR A 1 301 ? 5.809 36.395 28.607 1.00 106.34 ? 993 THR A C 1 \nATOM 2343 O O . THR A 1 301 ? 5.974 37.594 28.355 1.00 103.45 ? 993 THR A O 1 \nATOM 2344 C CB . THR A 1 301 ? 3.857 35.833 27.114 1.00 90.34 ? 993 THR A CB 1 \nATOM 2345 O OG1 . THR A 1 301 ? 2.911 35.171 27.963 1.00 97.10 ? 993 THR A OG1 1 \nATOM 2346 C CG2 . THR A 1 301 ? 3.590 35.439 25.666 1.00 85.30 ? 993 THR A CG2 1 \nATOM 2347 N N . ASP A 1 302 ? 6.066 35.861 29.800 1.00 111.43 ? 994 ASP A N 1 \nATOM 2348 C CA . ASP A 1 302 ? 6.711 36.622 30.869 1.00 102.16 ? 994 ASP A CA 1 \nATOM 2349 C C . ASP A 1 302 ? 8.228 36.642 30.686 1.00 91.62 ? 994 ASP A C 1 \nATOM 2350 O O . ASP A 1 302 ? 8.942 37.286 31.459 1.00 91.58 ? 994 ASP A O 1 \nATOM 2351 C CB . ASP A 1 302 ? 6.352 36.050 32.248 1.00 102.74 ? 994 ASP A CB 1 \nATOM 2352 C CG . ASP A 1 302 ? 4.889 36.266 32.618 1.00 109.76 ? 994 ASP A CG 1 \nATOM 2353 O OD1 . ASP A 1 302 ? 4.078 36.622 31.733 1.00 97.63 ? 994 ASP A OD1 1 \nATOM 2354 O OD2 . ASP A 1 302 ? 4.551 36.072 33.807 1.00 97.59 ? 994 ASP A OD2 1 \nATOM 2355 N N . SER A 1 303 ? 8.716 35.937 29.664 1.00 82.22 ? 995 SER A N 1 \nATOM 2356 C CA . SER A 1 303 ? 10.146 35.925 29.364 1.00 72.60 ? 995 SER A CA 1 \nATOM 2357 C C . SER A 1 303 ? 10.578 37.299 28.878 1.00 75.53 ? 995 SER A C 1 \nATOM 2358 O O . SER A 1 303 ? 9.802 38.037 28.253 1.00 70.58 ? 995 SER A O 1 \nATOM 2359 C CB . SER A 1 303 ? 10.526 34.838 28.336 1.00 76.40 ? 995 SER A CB 1 \nATOM 2360 O OG . SER A 1 303 ? 10.649 35.348 27.010 1.00 56.44 ? 995 SER A OG 1 \nATOM 2361 N N . ASN A 1 304 ? 11.823 37.631 29.181 1.00 70.57 ? 996 ASN A N 1 \nATOM 2362 C CA . ASN A 1 304 ? 12.399 38.885 28.758 1.00 73.99 ? 996 ASN A CA 1 \nATOM 2363 C C . ASN A 1 304 ? 12.426 38.999 27.234 1.00 75.58 ? 996 ASN A C 1 \nATOM 2364 O O . ASN A 1 304 ? 12.012 40.027 26.679 1.00 73.07 ? 996 ASN A O 1 \nATOM 2365 C CB . ASN A 1 304 ? 13.791 39.042 29.372 1.00 63.63 ? 996 ASN A CB 1 \nATOM 2366 C CG . ASN A 1 304 ? 13.744 39.179 30.887 1.00 74.59 ? 996 ASN A CG 1 \nATOM 2367 O OD1 . ASN A 1 304 ? 12.766 39.689 31.448 1.00 68.42 ? 996 ASN A OD1 1 \nATOM 2368 N ND2 . ASN A 1 304 ? 14.799 38.723 31.558 1.00 60.65 ? 996 ASN A ND2 1 \nATOM 2369 N N . PHE A 1 305 ? 12.862 37.923 26.570 1.00 67.63 ? 997 PHE A N 1 \nATOM 2370 C CA . PHE A 1 305 ? 13.005 37.907 25.112 1.00 45.42 ? 997 PHE A CA 1 \nATOM 2371 C C . PHE A 1 305 ? 11.723 38.287 24.381 1.00 51.92 ? 997 PHE A C 1 \nATOM 2372 O O . PHE A 1 305 ? 11.767 39.103 23.461 1.00 62.38 ? 997 PHE A O 1 \nATOM 2373 C CB . PHE A 1 305 ? 13.574 36.568 24.597 1.00 55.03 ? 997 PHE A CB 1 \nATOM 2374 C CG . PHE A 1 305 ? 14.234 36.683 23.247 1.00 45.20 ? 997 PHE A CG 1 \nATOM 2375 C CD1 . PHE A 1 305 ? 13.478 36.619 22.079 1.00 41.23 ? 997 PHE A CD1 1 \nATOM 2376 C CD2 . PHE A 1 305 ? 15.601 36.904 23.143 1.00 48.66 ? 997 PHE A CD2 1 \nATOM 2377 C CE1 . PHE A 1 305 ? 14.070 36.757 20.831 1.00 36.44 ? 997 PHE A CE1 1 \nATOM 2378 C CE2 . PHE A 1 305 ? 16.208 37.047 21.903 1.00 48.46 ? 997 PHE A CE2 1 \nATOM 2379 C CZ . PHE A 1 305 ? 15.445 36.979 20.742 1.00 37.79 ? 997 PHE A CZ 1 \nATOM 2380 N N . TYR A 1 306 ? 10.589 37.715 24.789 1.00 43.98 ? 998 TYR A N 1 \nATOM 2381 C CA . TYR A 1 306 ? 9.319 37.981 24.111 1.00 50.06 ? 998 TYR A CA 1 \nATOM 2382 C C . TYR A 1 306 ? 8.932 39.466 24.207 1.00 52.66 ? 998 TYR A C 1 \nATOM 2383 O O . TYR A 1 306 ? 8.694 40.110 23.181 1.00 50.37 ? 998 TYR A O 1 \nATOM 2384 C CB . TYR A 1 306 ? 8.182 37.087 24.631 1.00 50.26 ? 998 TYR A CB 1 \nATOM 2385 C CG . TYR A 1 306 ? 6.861 37.329 23.917 1.00 53.59 ? 998 TYR A CG 1 \nATOM 2386 C CD1 . TYR A 1 306 ? 6.503 36.573 22.808 1.00 65.72 ? 998 TYR A CD1 1 \nATOM 2387 C CD2 . TYR A 1 306 ? 5.975 38.320 24.349 1.00 66.46 ? 998 TYR A CD2 1 \nATOM 2388 C CE1 . TYR A 1 306 ? 5.305 36.785 22.146 1.00 71.54 ? 998 TYR A CE1 1 \nATOM 2389 C CE2 . TYR A 1 306 ? 4.776 38.545 23.691 1.00 67.06 ? 998 TYR A CE2 1 \nATOM 2390 C CZ . TYR A 1 306 ? 4.445 37.775 22.590 1.00 81.38 ? 998 TYR A CZ 1 \nATOM 2391 O OH . TYR A 1 306 ? 3.255 37.987 21.927 1.00 83.86 ? 998 TYR A OH 1 \nATOM 2392 N N . ARG A 1 307 ? 8.874 39.991 25.432 1.00 56.42 ? 999 ARG A N 1 \nATOM 2393 C CA . ARG A 1 307 ? 8.503 41.399 25.661 1.00 66.76 ? 999 ARG A CA 1 \nATOM 2394 C C . ARG A 1 307 ? 9.413 42.378 24.905 1.00 72.09 ? 999 ARG A C 1 \nATOM 2395 O O . ARG A 1 307 ? 8.908 43.316 24.264 1.00 54.14 ? 999 ARG A O 1 \nATOM 2396 C CB . ARG A 1 307 ? 8.470 41.731 27.157 1.00 75.45 ? 999 ARG A CB 1 \nATOM 2397 C CG . ARG A 1 307 ? 7.216 41.268 27.883 1.00 74.94 ? 999 ARG A CG 1 \nATOM 2398 C CD . ARG A 1 307 ? 7.080 41.993 29.214 1.00 92.57 ? 999 ARG A CD 1 \nATOM 2399 N NE . ARG A 1 307 ? 5.868 41.637 29.954 1.00 100.40 ? 999 ARG A NE 1 \nATOM 2400 C CZ . ARG A 1 307 ? 4.684 42.235 29.815 1.00 91.52 ? 999 ARG A CZ 1 \nATOM 2401 N NH1 . ARG A 1 307 ? 3.653 41.834 30.548 1.00 82.09 ? 999 ARG A NH1 1 \nATOM 2402 N NH2 . ARG A 1 307 ? 4.521 43.229 28.948 1.00 73.74 ? 999 ARG A NH2 1 \nATOM 2403 N N . ALA A 1 308 ? 10.733 42.126 24.981 1.00 57.15 ? 1000 ALA A N 1 \nATOM 2404 C CA . ALA A 1 308 ? 11.789 42.855 24.248 1.00 68.38 ? 1000 ALA A CA 1 \nATOM 2405 C C . ALA A 1 308 ? 11.556 42.981 22.738 1.00 71.95 ? 1000 ALA A C 1 \nATOM 2406 O O . ALA A 1 308 ? 12.022 43.944 22.112 1.00 65.03 ? 1000 ALA A O 1 \nATOM 2407 C CB . ALA A 1 308 ? 13.165 42.217 24.502 1.00 40.39 ? 1000 ALA A CB 1 \nATOM 2408 N N . LEU A 1 309 ? 10.858 42.001 22.161 1.00 46.21 ? 1001 LEU A N 1 \nATOM 2409 C CA . LEU A 1 309 ? 10.599 41.970 20.736 1.00 40.49 ? 1001 LEU A CA 1 \nATOM 2410 C C . LEU A 1 309 ? 9.259 42.576 20.348 1.00 53.57 ? 1001 LEU A C 1 \nATOM 2411 O O . LEU A 1 309 ? 9.165 43.282 19.337 1.00 53.84 ? 1001 LEU A O 1 \nATOM 2412 C CB . LEU A 1 309 ? 10.631 40.517 20.238 1.00 45.77 ? 1001 LEU A CB 1 \nATOM 2413 C CG . LEU A 1 309 ? 11.848 40.057 19.447 1.00 44.23 ? 1001 LEU A CG 1 \nATOM 2414 C CD1 . LEU A 1 309 ? 13.080 40.042 20.339 1.00 48.87 ? 1001 LEU A CD1 1 \nATOM 2415 C CD2 . LEU A 1 309 ? 11.594 38.682 18.855 1.00 41.26 ? 1001 LEU A CD2 1 \nATOM 2416 N N . MET A 1 310 ? 8.227 42.280 21.138 1.00 53.10 ? 1002 MET A N 1 \nATOM 2417 C CA . MET A 1 310 ? 6.840 42.522 20.706 1.00 62.26 ? 1002 MET A CA 1 \nATOM 2418 C C . MET A 1 310 ? 6.179 43.786 21.256 1.00 69.68 ? 1002 MET A C 1 \nATOM 2419 O O . MET A 1 310 ? 5.263 44.326 20.625 1.00 61.34 ? 1002 MET A O 1 \nATOM 2420 C CB . MET A 1 310 ? 5.961 41.304 21.002 1.00 58.73 ? 1002 MET A CB 1 \nATOM 2421 C CG . MET A 1 310 ? 6.454 39.993 20.406 1.00 69.22 ? 1002 MET A CG 1 \nATOM 2422 S SD . MET A 1 310 ? 6.912 40.077 18.661 1.00 66.89 ? 1002 MET A SD 1 \nATOM 2423 C CE . MET A 1 310 ? 5.350 40.495 17.883 1.00 72.08 ? 1002 MET A CE 1 \nATOM 2424 N N . ASP A 1 311 ? 6.640 44.251 22.416 1.00 73.79 ? 1003 ASP A N 1 \nATOM 2425 C CA . ASP A 1 311 ? 6.024 45.404 23.095 1.00 93.71 ? 1003 ASP A CA 1 \nATOM 2426 C C . ASP A 1 311 ? 6.280 46.765 22.430 1.00 87.67 ? 1003 ASP A C 1 \nATOM 2427 O O . ASP A 1 311 ? 5.575 47.736 22.721 1.00 88.50 ? 1003 ASP A O 1 \nATOM 2428 C CB . ASP A 1 311 ? 6.420 45.449 24.578 1.00 89.49 ? 1003 ASP A CB 1 \nATOM 2429 C CG . ASP A 1 311 ? 5.643 44.452 25.426 1.00 94.17 ? 1003 ASP A CG 1 \nATOM 2430 O OD1 . ASP A 1 311 ? 5.332 43.344 24.936 1.00 89.80 ? 1003 ASP A OD1 1 \nATOM 2431 O OD2 . ASP A 1 311 ? 5.350 44.779 26.596 1.00 109.80 ? 1003 ASP A OD2 1 \nATOM 2432 N N . GLU A 1 312 ? 7.276 46.830 21.546 1.00 85.41 ? 1004 GLU A N 1 \nATOM 2433 C CA . GLU A 1 312 ? 7.565 48.046 20.781 1.00 93.45 ? 1004 GLU A CA 1 \nATOM 2434 C C . GLU A 1 312 ? 6.314 48.554 20.060 1.00 91.45 ? 1004 GLU A C 1 \nATOM 2435 O O . GLU A 1 312 ? 5.539 47.762 19.520 1.00 82.23 ? 1004 GLU A O 1 \nATOM 2436 C CB . GLU A 1 312 ? 8.690 47.788 19.775 1.00 93.39 ? 1004 GLU A CB 1 \nATOM 2437 C CG . GLU A 1 312 ? 9.148 49.021 19.005 1.00 94.09 ? 1004 GLU A CG 1 \nATOM 2438 C CD . GLU A 1 312 ? 10.248 48.715 18.005 1.00 101.52 ? 1004 GLU A CD 1 \nATOM 2439 O OE1 . GLU A 1 312 ? 10.530 49.583 17.147 1.00 80.73 ? 1004 GLU A OE1 1 \nATOM 2440 O OE2 . GLU A 1 312 ? 10.832 47.611 18.072 1.00 81.92 ? 1004 GLU A OE2 1 \nATOM 2441 N N . GLU A 1 313 ? 6.126 49.874 20.064 1.00 95.81 ? 1005 GLU A N 1 \nATOM 2442 C CA . GLU A 1 313 ? 4.944 50.509 19.468 1.00 104.88 ? 1005 GLU A CA 1 \nATOM 2443 C C . GLU A 1 313 ? 4.859 50.336 17.949 1.00 106.59 ? 1005 GLU A C 1 \nATOM 2444 O O . GLU A 1 313 ? 3.762 50.332 17.384 1.00 111.84 ? 1005 GLU A O 1 \nATOM 2445 C CB . GLU A 1 313 ? 4.872 51.991 19.851 1.00 104.00 ? 1005 GLU A CB 1 \nATOM 2446 C CG . GLU A 1 313 ? 4.303 52.231 21.243 1.00 107.89 ? 1005 GLU A CG 1 \nATOM 2447 C CD . GLU A 1 313 ? 4.496 53.654 21.742 1.00 110.98 ? 1005 GLU A CD 1 \nATOM 2448 O OE1 . GLU A 1 313 ? 4.178 53.906 22.925 1.00 95.43 ? 1005 GLU A OE1 1 \nATOM 2449 O OE2 . GLU A 1 313 ? 4.963 54.518 20.966 1.00 103.24 ? 1005 GLU A OE2 1 \nATOM 2450 N N . ASP A 1 314 ? 6.016 50.190 17.301 1.00 117.69 ? 1006 ASP A N 1 \nATOM 2451 C CA . ASP A 1 314 ? 6.085 49.910 15.862 1.00 122.83 ? 1006 ASP A CA 1 \nATOM 2452 C C . ASP A 1 314 ? 5.346 48.617 15.502 1.00 114.70 ? 1006 ASP A C 1 \nATOM 2453 O O . ASP A 1 314 ? 4.738 48.520 14.432 1.00 108.57 ? 1006 ASP A O 1 \nATOM 2454 C CB . ASP A 1 314 ? 7.541 49.857 15.382 1.00 123.65 ? 1006 ASP A CB 1 \nATOM 2455 C CG . ASP A 1 314 ? 8.165 51.241 15.222 1.00 120.44 ? 1006 ASP A CG 1 \nATOM 2456 O OD1 . ASP A 1 314 ? 7.426 52.226 15.000 1.00 108.22 ? 1006 ASP A OD1 1 \nATOM 2457 O OD2 . ASP A 1 314 ? 9.407 51.342 15.307 1.00 108.51 ? 1006 ASP A OD2 1 \nATOM 2458 N N . MET A 1 315 ? 5.403 47.637 16.405 1.00 95.23 ? 1007 MET A N 1 \nATOM 2459 C CA . MET A 1 315 ? 4.582 46.431 16.311 1.00 90.94 ? 1007 MET A CA 1 \nATOM 2460 C C . MET A 1 315 ? 3.162 46.781 16.768 1.00 99.19 ? 1007 MET A C 1 \nATOM 2461 O O . MET A 1 315 ? 2.757 46.435 17.880 1.00 109.79 ? 1007 MET A O 1 \nATOM 2462 C CB . MET A 1 315 ? 5.163 45.292 17.172 1.00 83.16 ? 1007 MET A CB 1 \nATOM 2463 C CG . MET A 1 315 ? 6.685 45.153 17.169 1.00 67.00 ? 1007 MET A CG 1 \nATOM 2464 S SD . MET A 1 315 ? 7.428 44.700 15.581 1.00 68.15 ? 1007 MET A SD 1 \nATOM 2465 C CE . MET A 1 315 ? 6.871 43.001 15.382 1.00 58.33 ? 1007 MET A CE 1 \nATOM 2466 N N . ASP A 1 316 ? 2.420 47.477 15.905 1.00 111.50 ? 1008 ASP A N 1 \nATOM 2467 C CA . ASP A 1 316 ? 1.107 48.039 16.253 1.00 111.00 ? 1008 ASP A CA 1 \nATOM 2468 C C . ASP A 1 316 ? 0.024 46.965 16.422 1.00 105.42 ? 1008 ASP A C 1 \nATOM 2469 O O . ASP A 1 316 ? -0.178 46.451 17.524 1.00 105.28 ? 1008 ASP A O 1 \nATOM 2470 C CB . ASP A 1 316 ? 0.682 49.099 15.220 1.00 123.41 ? 1008 ASP A CB 1 \nATOM 2471 C CG . ASP A 1 316 ? -0.499 49.949 15.690 1.00 120.55 ? 1008 ASP A CG 1 \nATOM 2472 O OD1 . ASP A 1 316 ? -1.629 49.728 15.200 1.00 80.53 ? 1008 ASP A OD1 1 \nATOM 2473 O OD2 . ASP A 1 316 ? -0.301 50.839 16.547 1.00 117.47 ? 1008 ASP A OD2 1 \nATOM 2474 N N . ASP A 1 317 ? -0.672 46.641 15.333 1.00 102.23 ? 1009 ASP A N 1 \nATOM 2475 C CA . ASP A 1 317 ? -1.728 45.629 15.348 1.00 100.67 ? 1009 ASP A CA 1 \nATOM 2476 C C . ASP A 1 317 ? -1.355 44.501 14.390 1.00 93.72 ? 1009 ASP A C 1 \nATOM 2477 O O . ASP A 1 317 ? -1.402 44.671 13.165 1.00 74.22 ? 1009 ASP A O 1 \nATOM 2478 C CB . ASP A 1 317 ? -3.084 46.245 14.971 1.00 101.82 ? 1009 ASP A CB 1 \nATOM 2479 C CG . ASP A 1 317 ? -3.662 47.128 16.072 1.00 113.32 ? 1009 ASP A CG 1 \nATOM 2480 O OD1 . ASP A 1 317 ? -4.035 48.284 15.777 1.00 104.40 ? 1009 ASP A OD1 1 \nATOM 2481 O OD2 . ASP A 1 317 ? -3.754 46.668 17.231 1.00 113.63 ? 1009 ASP A OD2 1 \nATOM 2482 N N . VAL A 1 318 ? -0.985 43.353 14.957 1.00 93.07 ? 1010 VAL A N 1 \nATOM 2483 C CA . VAL A 1 318 ? -0.383 42.257 14.187 1.00 80.23 ? 1010 VAL A CA 1 \nATOM 2484 C C . VAL A 1 318 ? -1.136 40.925 14.278 1.00 79.25 ? 1010 VAL A C 1 \nATOM 2485 O O . VAL A 1 318 ? -1.857 40.676 15.248 1.00 78.35 ? 1010 VAL A O 1 \nATOM 2486 C CB . VAL A 1 318 ? 1.103 42.050 14.572 1.00 82.37 ? 1010 VAL A CB 1 \nATOM 2487 C CG1 . VAL A 1 318 ? 1.915 43.299 14.251 1.00 87.87 ? 1010 VAL A CG1 1 \nATOM 2488 C CG2 . VAL A 1 318 ? 1.248 41.678 16.045 1.00 79.77 ? 1010 VAL A CG2 1 \nATOM 2489 N N . VAL A 1 319 ? -0.963 40.087 13.251 1.00 68.99 ? 1011 VAL A N 1 \nATOM 2490 C CA . VAL A 1 319 ? -1.523 38.727 13.204 1.00 64.51 ? 1011 VAL A CA 1 \nATOM 2491 C C . VAL A 1 319 ? -0.404 37.704 12.973 1.00 77.21 ? 1011 VAL A C 1 \nATOM 2492 O O . VAL A 1 319 ? 0.322 37.780 11.976 1.00 67.63 ? 1011 VAL A O 1 \nATOM 2493 C CB . VAL A 1 319 ? -2.604 38.567 12.100 1.00 69.31 ? 1011 VAL A CB 1 \nATOM 2494 C CG1 . VAL A 1 319 ? -3.068 37.117 11.995 1.00 73.03 ? 1011 VAL A CG1 1 \nATOM 2495 C CG2 . VAL A 1 319 ? -3.800 39.476 12.359 1.00 60.85 ? 1011 VAL A CG2 1 \nATOM 2496 N N . ASP A 1 320 ? -0.283 36.751 13.898 1.00 78.10 ? 1012 ASP A N 1 \nATOM 2497 C CA . ASP A 1 320 ? 0.709 35.675 13.829 1.00 78.78 ? 1012 ASP A CA 1 \nATOM 2498 C C . ASP A 1 320 ? 0.619 34.932 12.495 1.00 74.28 ? 1012 ASP A C 1 \nATOM 2499 O O . ASP A 1 320 ? -0.485 34.665 12.006 1.00 66.35 ? 1012 ASP A O 1 \nATOM 2500 C CB . ASP A 1 320 ? 0.493 34.703 14.996 1.00 81.42 ? 1012 ASP A CB 1 \nATOM 2501 C CG . ASP A 1 320 ? 1.685 33.798 15.237 1.00 99.02 ? 1012 ASP A CG 1 \nATOM 2502 O OD1 . ASP A 1 320 ? 2.690 34.271 15.810 1.00 104.15 ? 1012 ASP A OD1 1 \nATOM 2503 O OD2 . ASP A 1 320 ? 1.608 32.606 14.874 1.00 101.05 ? 1012 ASP A OD2 1 \nATOM 2504 N N . ALA A 1 321 ? 1.772 34.604 11.907 1.00 52.96 ? 1013 ALA A N 1 \nATOM 2505 C CA . ALA A 1 321 ? 1.813 33.912 10.605 1.00 59.48 ? 1013 ALA A CA 1 \nATOM 2506 C C . ALA A 1 321 ? 1.024 32.597 10.556 1.00 67.96 ? 1013 ALA A C 1 \nATOM 2507 O O . ALA A 1 321 ? 0.465 32.243 9.508 1.00 66.31 ? 1013 ALA A O 1 \nATOM 2508 C CB . ALA A 1 321 ? 3.243 33.702 10.139 1.00 62.75 ? 1013 ALA A CB 1 \nATOM 2509 N N . ASP A 1 322 ? 0.985 31.884 11.684 1.00 59.70 ? 1014 ASP A N 1 \nATOM 2510 C CA . ASP A 1 322 ? 0.200 30.654 11.812 1.00 74.24 ? 1014 ASP A CA 1 \nATOM 2511 C C . ASP A 1 322 ? -1.300 30.913 11.667 1.00 74.57 ? 1014 ASP A C 1 \nATOM 2512 O O . ASP A 1 322 ? -2.018 30.130 11.040 1.00 82.55 ? 1014 ASP A O 1 \nATOM 2513 C CB . ASP A 1 322 ? 0.476 29.981 13.160 1.00 83.80 ? 1014 ASP A CB 1 \nATOM 2514 C CG . ASP A 1 322 ? 1.930 29.578 13.328 1.00 86.76 ? 1014 ASP A CG 1 \nATOM 2515 O OD1 . ASP A 1 322 ? 2.458 29.709 14.454 1.00 96.46 ? 1014 ASP A OD1 1 \nATOM 2516 O OD2 . ASP A 1 322 ? 2.546 29.131 12.339 1.00 92.15 ? 1014 ASP A OD2 1 \nATOM 2517 N N . GLU A 1 323 ? -1.762 32.013 12.255 1.00 69.63 ? 1015 GLU A N 1 \nATOM 2518 C CA . GLU A 1 323 ? -3.169 32.406 12.205 1.00 84.01 ? 1015 GLU A CA 1 \nATOM 2519 C C . GLU A 1 323 ? -3.563 32.965 10.830 1.00 81.26 ? 1015 GLU A C 1 \nATOM 2520 O O . GLU A 1 323 ? -4.711 32.817 10.401 1.00 75.65 ? 1015 GLU A O 1 \nATOM 2521 C CB . GLU A 1 323 ? -3.466 33.432 13.304 1.00 89.15 ? 1015 GLU A CB 1 \nATOM 2522 C CG . GLU A 1 323 ? -4.941 33.592 13.645 1.00 106.04 ? 1015 GLU A CG 1 \nATOM 2523 C CD . GLU A 1 323 ? -5.193 34.639 14.717 1.00 119.25 ? 1015 GLU A CD 1 \nATOM 2524 O OE1 . GLU A 1 323 ? -4.251 34.982 15.465 1.00 124.44 ? 1015 GLU A OE1 1 \nATOM 2525 O OE2 . GLU A 1 323 ? -6.342 35.119 14.814 1.00 124.84 ? 1015 GLU A OE2 1 \nATOM 2526 N N . TYR A 1 324 ? -2.609 33.605 10.154 1.00 71.06 ? 1016 TYR A N 1 \nATOM 2527 C CA . TYR A 1 324 ? -2.825 34.180 8.825 1.00 72.33 ? 1016 TYR A CA 1 \nATOM 2528 C C . TYR A 1 324 ? -2.791 33.132 7.709 1.00 74.97 ? 1016 TYR A C 1 \nATOM 2529 O O . TYR A 1 324 ? -3.570 33.223 6.756 1.00 81.17 ? 1016 TYR A O 1 \nATOM 2530 C CB . TYR A 1 324 ? -1.810 35.297 8.549 1.00 84.93 ? 1016 TYR A CB 1 \nATOM 2531 C CG . TYR A 1 324 ? -1.665 35.681 7.088 1.00 86.99 ? 1016 TYR A CG 1 \nATOM 2532 C CD1 . TYR A 1 324 ? -0.805 34.974 6.243 1.00 91.38 ? 1016 TYR A CD1 1 \nATOM 2533 C CD2 . TYR A 1 324 ? -2.379 36.754 6.552 1.00 79.32 ? 1016 TYR A CD2 1 \nATOM 2534 C CE1 . TYR A 1 324 ? -0.668 35.316 4.908 1.00 95.57 ? 1016 TYR A CE1 1 \nATOM 2535 C CE2 . TYR A 1 324 ? -2.244 37.108 5.217 1.00 82.46 ? 1016 TYR A CE2 1 \nATOM 2536 C CZ . TYR A 1 324 ? -1.387 36.385 4.400 1.00 97.13 ? 1016 TYR A CZ 1 \nATOM 2537 O OH . TYR A 1 324 ? -1.236 36.717 3.072 1.00 93.34 ? 1016 TYR A OH 1 \nATOM 2538 N N . LEU A 1 325 ? -1.889 32.157 7.823 1.00 79.31 ? 1017 LEU A N 1 \nATOM 2539 C CA . LEU A 1 325 ? -1.752 31.089 6.826 1.00 78.37 ? 1017 LEU A CA 1 \nATOM 2540 C C . LEU A 1 325 ? -2.418 29.794 7.290 1.00 79.78 ? 1017 LEU A C 1 \nATOM 2541 O O . LEU A 1 325 ? -3.584 29.532 6.982 1.00 86.61 ? 1017 LEU A O 1 \nATOM 2542 C CB . LEU A 1 325 ? -0.272 30.850 6.492 1.00 96.14 ? 1017 LEU A CB 1 \nATOM 2543 C CG . LEU A 1 325 ? 0.143 29.601 5.697 1.00 116.26 ? 1017 LEU A CG 1 \nATOM 2544 C CD1 . LEU A 1 325 ? -0.313 29.652 4.243 1.00 121.68 ? 1017 LEU A CD1 1 \nATOM 2545 C CD2 . LEU A 1 325 ? 1.648 29.383 5.783 1.00 110.27 ? 1017 LEU A CD2 1 \nHETATM 2546 C C1 . W32 B 2 . ? 17.523 28.990 5.798 1.00 31.51 ? 1101 W32 A C1 1 \nHETATM 2547 C C2 . W32 B 2 . ? 16.291 28.418 6.080 1.00 30.31 ? 1101 W32 A C2 1 \nHETATM 2548 C C3 . W32 B 2 . ? 17.399 32.400 11.069 1.00 27.58 ? 1101 W32 A C3 1 \nHETATM 2549 C C4 . W32 B 2 . ? 17.766 30.265 6.269 1.00 29.96 ? 1101 W32 A C4 1 \nHETATM 2550 C C5 . W32 B 2 . ? 17.620 31.995 9.772 1.00 28.42 ? 1101 W32 A C5 1 \nHETATM 2551 C C6 . W32 B 2 . ? 15.605 30.408 7.268 1.00 28.58 ? 1101 W32 A C6 1 \nHETATM 2552 C C7 . W32 B 2 . ? 15.786 33.991 10.313 1.00 27.15 ? 1101 W32 A C7 1 \nHETATM 2553 C C8 . W32 B 2 . ? 12.748 33.566 13.379 1.00 31.64 ? 1101 W32 A C8 1 \nHETATM 2554 C C9 . W32 B 2 . ? 14.942 34.492 14.574 1.00 35.19 ? 1101 W32 A C9 1 \nHETATM 2555 C C10 . W32 B 2 . ? 15.370 29.134 6.809 1.00 25.91 ? 1101 W32 A C10 1 \nHETATM 2556 C C11 . W32 B 2 . ? 16.480 33.398 11.352 1.00 28.93 ? 1101 W32 A C11 1 \nHETATM 2557 C C12 . W32 B 2 . ? 16.830 30.965 6.994 1.00 32.48 ? 1101 W32 A C12 1 \nHETATM 2558 C C13 . W32 B 2 . ? 16.923 32.597 8.743 1.00 27.90 ? 1101 W32 A C13 1 \nHETATM 2559 C C14 . W32 B 2 . ? 15.995 33.592 9.009 1.00 29.12 ? 1101 W32 A C14 1 \nHETATM 2560 C C15 . W32 B 2 . ? 13.699 34.562 15.192 1.00 29.35 ? 1101 W32 A C15 1 \nHETATM 2561 C C16 . W32 B 2 . ? 14.989 33.935 13.305 1.00 35.49 ? 1101 W32 A C16 1 \nHETATM 2562 C C17 . W32 B 2 . ? 16.163 35.029 15.170 1.00 34.55 ? 1101 W32 A C17 1 \nHETATM 2563 C C18 . W32 B 2 . ? 16.443 35.196 16.465 1.00 31.64 ? 1101 W32 A C18 1 \nHETATM 2564 C C19 . W32 B 2 . ? 17.734 35.864 16.810 1.00 41.85 ? 1101 W32 A C19 1 \nHETATM 2565 C C20 . W32 B 2 . ? 15.566 34.815 17.582 1.00 34.23 ? 1101 W32 A C20 1 \nHETATM 2566 C C21 . W32 B 2 . ? 14.310 35.640 17.409 1.00 33.52 ? 1101 W32 A C21 1 \nHETATM 2567 C C22 . W32 B 2 . ? 23.039 35.053 18.700 1.00 86.61 ? 1101 W32 A C22 1 \nHETATM 2568 C C23 . W32 B 2 . ? 20.048 36.322 16.157 1.00 53.53 ? 1101 W32 A C23 1 \nHETATM 2569 C C24 . W32 B 2 . ? 20.735 35.538 17.258 1.00 62.21 ? 1101 W32 A C24 1 \nHETATM 2570 C C25 . W32 B 2 . ? 14.038 28.522 7.120 1.00 27.55 ? 1101 W32 A C25 1 \nHETATM 2571 N N26 . W32 B 2 . ? 12.598 34.091 14.590 1.00 29.72 ? 1101 W32 A N26 1 \nHETATM 2572 N N27 . W32 B 2 . ? 13.891 33.461 12.695 1.00 32.32 ? 1101 W32 A N27 1 \nHETATM 2573 N N28 . W32 B 2 . ? 13.391 35.060 16.456 1.00 30.86 ? 1101 W32 A N28 1 \nHETATM 2574 N N29 . W32 B 2 . ? 16.248 33.857 12.650 1.00 28.23 ? 1101 W32 A N29 1 \nHETATM 2575 N N30 . W32 B 2 . ? 18.733 35.791 15.867 1.00 40.18 ? 1101 W32 A N30 1 \nHETATM 2576 O O31 . W32 B 2 . ? 17.835 36.482 17.860 1.00 50.74 ? 1101 W32 A O31 1 \nHETATM 2577 O O32 . W32 B 2 . ? 23.066 36.437 16.489 1.00 63.85 ? 1101 W32 A O32 1 \nHETATM 2578 O O33 . W32 B 2 . ? 21.997 37.443 18.557 1.00 81.42 ? 1101 W32 A O33 1 \nHETATM 2579 O O34 . W32 B 2 . ? 17.118 32.249 7.424 1.00 30.16 ? 1101 W32 A O34 1 \nHETATM 2580 F F35 . W32 B 2 . ? 14.097 27.611 8.115 1.00 35.13 ? 1101 W32 A F35 1 \nHETATM 2581 F F36 . W32 B 2 . ? 13.166 29.438 7.562 1.00 34.11 ? 1101 W32 A F36 1 \nHETATM 2582 F F37 . W32 B 2 . ? 13.559 27.856 6.039 1.00 32.07 ? 1101 W32 A F37 1 \nHETATM 2583 S S38 . W32 B 2 . ? 22.276 36.305 17.700 1.00 84.11 ? 1101 W32 A S38 1 \nHETATM 2584 CL CL1 . W32 B 2 . ? 15.137 34.343 7.702 1.00 34.16 ? 1101 W32 A CL1 1 \nHETATM 2585 S S . SO4 C 3 . ? 28.315 33.136 22.172 1.00 54.09 ? 1102 SO4 A S 1 \nHETATM 2586 O O1 . SO4 C 3 . ? 27.668 33.301 20.863 1.00 50.36 ? 1102 SO4 A O1 1 \nHETATM 2587 O O2 . SO4 C 3 . ? 29.746 33.509 22.064 1.00 60.30 ? 1102 SO4 A O2 1 \nHETATM 2588 O O3 . SO4 C 3 . ? 28.196 31.721 22.585 1.00 45.28 ? 1102 SO4 A O3 1 \nHETATM 2589 O O4 . SO4 C 3 . ? 27.636 33.973 23.182 1.00 70.80 ? 1102 SO4 A O4 1 \nHETATM 2590 O O . HOH D 4 . ? 18.952 33.681 13.748 1.00 30.72 ? 2001 HOH A O 1 \nHETATM 2591 O O . HOH D 4 . ? 35.442 12.036 9.937 1.00 30.09 ? 2002 HOH A O 1 \nHETATM 2592 O O . HOH D 4 . ? 24.978 20.704 10.598 1.00 31.13 ? 2003 HOH A O 1 \nHETATM 2593 O O . HOH D 4 . ? 34.337 20.372 15.165 1.00 28.11 ? 2004 HOH A O 1 \nHETATM 2594 O O . HOH D 4 . ? 6.509 21.354 -6.071 1.00 29.38 ? 2005 HOH A O 1 \nHETATM 2595 O O . HOH D 4 . ? 26.485 18.720 8.106 1.00 30.82 ? 2006 HOH A O 1 \nHETATM 2596 O O . HOH D 4 . ? 20.845 10.119 9.908 1.00 30.60 ? 2007 HOH A O 1 \nHETATM 2597 O O . HOH D 4 . ? 17.257 9.102 9.766 1.00 32.20 ? 2008 HOH A O 1 \nHETATM 2598 O O . HOH D 4 . ? 36.130 7.683 16.487 1.00 38.69 ? 2009 HOH A O 1 \nHETATM 2599 O O . HOH D 4 . ? 13.664 30.957 11.228 1.00 31.50 ? 2010 HOH A O 1 \nHETATM 2600 O O . HOH D 4 . ? 23.367 25.952 6.551 1.00 37.12 ? 2011 HOH A O 1 \nHETATM 2601 O O . HOH D 4 . ? 30.886 28.537 28.215 1.00 40.46 ? 2012 HOH A O 1 \nHETATM 2602 O O . HOH D 4 . ? 32.756 19.653 17.155 1.00 28.58 ? 2013 HOH A O 1 \nHETATM 2603 O O . HOH D 4 . ? 21.686 36.822 -11.628 1.00 56.11 ? 2014 HOH A O 1 \nHETATM 2604 O O . HOH D 4 . ? 39.487 7.019 16.025 1.00 50.43 ? 2015 HOH A O 1 \nHETATM 2605 O O . HOH D 4 . ? 24.717 27.461 19.113 1.00 29.62 ? 2016 HOH A O 1 \nHETATM 2606 O O . HOH D 4 . ? 26.919 27.315 22.960 1.00 32.92 ? 2017 HOH A O 1 \nHETATM 2607 O O . HOH D 4 . ? 21.677 19.209 0.486 1.00 37.84 ? 2018 HOH A O 1 \nHETATM 2608 O O . HOH D 4 . ? 8.443 31.994 19.416 1.00 35.04 ? 2019 HOH A O 1 \nHETATM 2609 O O . HOH D 4 . ? 17.135 42.163 -0.961 1.00 57.68 ? 2020 HOH A O 1 \nHETATM 2610 O O . HOH D 4 . ? 36.632 30.489 18.215 1.00 60.99 ? 2021 HOH A O 1 \nHETATM 2611 O O . HOH D 4 . ? 33.379 16.584 20.716 1.00 38.49 ? 2022 HOH A O 1 \nHETATM 2612 O O . HOH D 4 . ? 25.300 19.757 32.915 1.00 32.97 ? 2023 HOH A O 1 \nHETATM 2613 O O . HOH D 4 . ? 33.014 27.649 15.526 1.00 36.60 ? 2024 HOH A O 1 \nHETATM 2614 O O . HOH D 4 . ? 33.617 10.243 19.744 1.00 33.88 ? 2025 HOH A O 1 \nHETATM 2615 O O . HOH D 4 . ? 7.754 30.842 8.414 1.00 40.67 ? 2026 HOH A O 1 \nHETATM 2616 O O . HOH D 4 . ? 10.668 30.874 11.297 1.00 33.82 ? 2027 HOH A O 1 \nHETATM 2617 O O . HOH D 4 . ? 26.832 24.553 13.022 1.00 39.16 ? 2028 HOH A O 1 \nHETATM 2618 O O . HOH D 4 . ? 21.042 33.463 11.806 1.00 38.83 ? 2029 HOH A O 1 \nHETATM 2619 O O . HOH D 4 . ? 7.739 23.297 8.108 1.00 42.86 ? 2030 HOH A O 1 \nHETATM 2620 O O . HOH D 4 . ? 10.905 13.095 11.221 1.00 32.44 ? 2031 HOH A O 1 \nHETATM 2621 O O . HOH D 4 . ? 12.309 6.679 14.280 1.00 40.84 ? 2032 HOH A O 1 \nHETATM 2622 O O . HOH D 4 . ? 6.371 16.396 8.444 1.00 42.41 ? 2033 HOH A O 1 \nHETATM 2623 O O . HOH D 4 . ? 11.382 8.774 7.622 1.00 36.18 ? 2034 HOH A O 1 \nHETATM 2624 O O . HOH D 4 . ? 37.978 12.473 9.028 1.00 37.99 ? 2035 HOH A O 1 \nHETATM 2625 O O . HOH D 4 . ? 26.334 29.616 19.096 1.00 35.40 ? 2036 HOH A O 1 \nHETATM 2626 O O . HOH D 4 . ? 28.085 29.293 21.311 1.00 33.80 ? 2037 HOH A O 1 \nHETATM 2627 O O . HOH D 4 . ? 29.678 19.189 9.597 1.00 38.78 ? 2038 HOH A O 1 \nHETATM 2628 O O . HOH D 4 . ? 18.829 31.034 14.369 1.00 42.03 ? 2039 HOH A O 1 \nHETATM 2629 O O . HOH D 4 . ? 38.239 13.151 6.193 1.00 35.39 ? 2040 HOH A O 1 \nHETATM 2630 O O . HOH D 4 . ? 42.253 18.534 4.456 1.00 39.85 ? 2041 HOH A O 1 \nHETATM 2631 O O . HOH D 4 . ? 35.880 6.018 8.596 1.00 41.37 ? 2042 HOH A O 1 \nHETATM 2632 O O . HOH D 4 . ? 6.868 14.238 27.659 1.00 57.08 ? 2043 HOH A O 1 \nHETATM 2633 O O . HOH D 4 . ? 25.840 9.403 3.926 1.00 37.52 ? 2044 HOH A O 1 \nHETATM 2634 O O . HOH D 4 . ? 23.916 10.923 4.843 1.00 36.39 ? 2045 HOH A O 1 \nHETATM 2635 O O . HOH D 4 . ? 22.297 9.245 6.744 1.00 32.79 ? 2046 HOH A O 1 \nHETATM 2636 O O . HOH D 4 . ? 25.735 6.067 7.008 1.00 36.43 ? 2047 HOH A O 1 \nHETATM 2637 O O . HOH D 4 . ? 25.275 3.366 7.768 1.00 39.99 ? 2048 HOH A O 1 \nHETATM 2638 O O . HOH D 4 . ? 31.874 2.778 6.260 1.00 50.43 ? 2049 HOH A O 1 \nHETATM 2639 O O . HOH D 4 . ? 35.219 5.807 14.085 1.00 38.24 ? 2050 HOH A O 1 \nHETATM 2640 O O . HOH D 4 . ? 21.161 14.370 0.807 1.00 42.08 ? 2051 HOH A O 1 \nHETATM 2641 O O . HOH D 4 . ? 23.868 13.162 2.145 1.00 37.79 ? 2052 HOH A O 1 \nHETATM 2642 O O . HOH D 4 . ? 17.291 14.374 37.680 1.00 50.83 ? 2053 HOH A O 1 \nHETATM 2643 O O . HOH D 4 . ? 34.232 13.602 30.125 1.00 38.30 ? 2054 HOH A O 1 \nHETATM 2644 O O . HOH D 4 . ? 24.841 32.749 10.356 1.00 44.08 ? 2055 HOH A O 1 \nHETATM 2645 O O . HOH D 4 . ? 29.807 17.978 0.516 1.00 38.25 ? 2056 HOH A O 1 \nHETATM 2646 O O . HOH D 4 . ? 6.362 17.239 3.587 1.00 38.89 ? 2057 HOH A O 1 \nHETATM 2647 O O . HOH D 4 . ? 44.102 21.764 13.753 1.00 42.91 ? 2058 HOH A O 1 \nHETATM 2648 O O . HOH D 4 . ? 34.739 22.287 26.071 1.00 41.30 ? 2059 HOH A O 1 \nHETATM 2649 O O . HOH D 4 . ? 19.809 15.737 8.120 1.00 39.13 ? 2060 HOH A O 1 \nHETATM 2650 O O . HOH D 4 . ? 34.786 23.238 5.336 1.00 41.49 ? 2061 HOH A O 1 \nHETATM 2651 O O . HOH D 4 . ? 11.549 4.709 21.682 1.00 43.83 ? 2062 HOH A O 1 \nHETATM 2652 O O . HOH D 4 . ? 32.328 28.947 -3.320 1.00 46.43 ? 2063 HOH A O 1 \nHETATM 2653 O O . HOH D 4 . ? 15.198 32.353 23.952 1.00 39.56 ? 2064 HOH A O 1 \nHETATM 2654 O O . HOH D 4 . ? 27.994 8.896 5.683 1.00 34.43 ? 2065 HOH A O 1 \nHETATM 2655 O O . HOH D 4 . ? 7.938 16.137 22.485 1.00 51.73 ? 2066 HOH A O 1 \nHETATM 2656 O O . HOH D 4 . ? 6.882 48.187 -5.358 1.00 52.22 ? 2067 HOH A O 1 \nHETATM 2657 O O . HOH D 4 . ? 7.809 14.973 13.054 1.00 45.62 ? 2068 HOH A O 1 \nHETATM 2658 O O . HOH D 4 . ? 9.129 11.157 13.552 1.00 51.16 ? 2069 HOH A O 1 \nHETATM 2659 O O . HOH D 4 . ? 8.607 28.931 10.382 1.00 44.69 ? 2070 HOH A O 1 \nHETATM 2660 O O . HOH D 4 . ? 17.819 11.733 38.870 1.00 43.75 ? 2071 HOH A O 1 \nHETATM 2661 O O . HOH D 4 . ? 19.521 9.398 3.628 1.00 43.64 ? 2072 HOH A O 1 \nHETATM 2662 O O . HOH D 4 . ? 32.704 24.308 4.378 1.00 40.08 ? 2073 HOH A O 1 \nHETATM 2663 O O . HOH D 4 . ? 40.870 23.271 12.777 1.00 44.98 ? 2074 HOH A O 1 \nHETATM 2664 O O . HOH D 4 . ? 7.122 11.266 27.389 1.00 56.70 ? 2075 HOH A O 1 \nHETATM 2665 O O . HOH D 4 . ? 43.891 19.989 6.225 1.00 53.70 ? 2076 HOH A O 1 \nHETATM 2666 O O . HOH D 4 . ? 30.592 29.461 20.862 1.00 40.74 ? 2077 HOH A O 1 \nHETATM 2667 O O . HOH D 4 . ? 43.928 19.888 24.129 1.00 59.50 ? 2078 HOH A O 1 \nHETATM 2668 O O . HOH D 4 . ? 28.233 24.649 -1.481 1.00 49.45 ? 2079 HOH A O 1 \nHETATM 2669 O O . HOH D 4 . ? 37.537 9.737 20.442 1.00 49.24 ? 2080 HOH A O 1 \nHETATM 2670 O O . HOH D 4 . ? 26.400 4.566 16.784 1.00 49.49 ? 2081 HOH A O 1 \nHETATM 2671 O O . HOH D 4 . ? 9.514 5.252 19.588 1.00 60.51 ? 2082 HOH A O 1 \n# \nloop_\n_atom_site_anisotrop.id \n_atom_site_anisotrop.type_symbol \n_atom_site_anisotrop.pdbx_label_atom_id \n_atom_site_anisotrop.pdbx_label_alt_id \n_atom_site_anisotrop.pdbx_label_comp_id \n_atom_site_anisotrop.pdbx_label_asym_id \n_atom_site_anisotrop.pdbx_label_seq_id \n_atom_site_anisotrop.pdbx_PDB_ins_code \n_atom_site_anisotrop.U[1][1] \n_atom_site_anisotrop.U[2][2] \n_atom_site_anisotrop.U[3][3] \n_atom_site_anisotrop.U[1][2] \n_atom_site_anisotrop.U[1][3] \n_atom_site_anisotrop.U[2][3] \n_atom_site_anisotrop.pdbx_auth_seq_id \n_atom_site_anisotrop.pdbx_auth_comp_id \n_atom_site_anisotrop.pdbx_auth_asym_id \n_atom_site_anisotrop.pdbx_auth_atom_id \n1 N N . GLN A 9 ? 0.5420 0.5609 0.7188 0.0196 -0.0946 0.0018 701 GLN A N \n2 C CA . GLN A 9 ? 0.5718 0.6034 0.7606 0.0189 -0.0889 0.0026 701 GLN A CA \n3 C C . GLN A 9 ? 0.5291 0.5587 0.7054 0.0136 -0.0837 0.0025 701 GLN A C \n4 O O . GLN A 9 ? 0.5250 0.5624 0.7078 0.0121 -0.0798 0.0032 701 GLN A O \n5 C CB . GLN A 9 ? 0.7425 0.7772 0.9441 0.0183 -0.0959 0.0044 701 GLN A CB \n6 C CG . GLN A 9 ? 0.9845 1.0353 1.2070 0.0212 -0.0913 0.0051 701 GLN A CG \n7 C CD . GLN A 9 ? 1.2016 1.2555 1.4362 0.0193 -0.0983 0.0073 701 GLN A CD \n8 O OE1 . GLN A 9 ? 1.1085 1.1671 1.3582 0.0228 -0.1033 0.0080 701 GLN A OE1 \n9 N NE2 . GLN A 9 ? 1.1782 1.2293 1.4064 0.0139 -0.0989 0.0084 701 GLN A NE2 \n10 N N . ALA A 10 ? 0.5196 0.5388 0.6783 0.0110 -0.0835 0.0016 702 ALA A N \n11 C CA . ALA A 10 ? 0.4921 0.5092 0.6387 0.0066 -0.0783 0.0012 702 ALA A CA \n12 C C . ALA A 10 ? 0.5473 0.5756 0.7003 0.0082 -0.0688 0.0005 702 ALA A C \n13 O O . ALA A 10 ? 0.4974 0.5312 0.6570 0.0124 -0.0653 -0.0001 702 ALA A O \n14 C CB . ALA A 10 ? 0.4911 0.4965 0.6197 0.0041 -0.0793 0.0005 702 ALA A CB \n15 N N . LEU A 11 ? 0.4239 0.4548 0.5741 0.0049 -0.0649 0.0006 703 LEU A N \n16 C CA . LEU A 11 ? 0.4156 0.4550 0.5689 0.0058 -0.0563 0.0000 703 LEU A CA \n17 C C . LEU A 11 ? 0.4192 0.4552 0.5621 0.0060 -0.0523 -0.0012 703 LEU A C \n18 O O . LEU A 11 ? 0.4334 0.4749 0.5807 0.0091 -0.0473 -0.0019 703 LEU A O \n19 C CB . LEU A 11 ? 0.3930 0.4338 0.5436 0.0021 -0.0540 0.0002 703 LEU A CB \n20 C CG . LEU A 11 ? 0.5234 0.5745 0.6820 0.0032 -0.0469 0.0001 703 LEU A CG \n21 C CD1 . LEU A 11 ? 0.5515 0.6118 0.7256 0.0071 -0.0456 0.0008 703 LEU A CD1 \n22 C CD2 . LEU A 11 ? 0.4888 0.5405 0.6470 0.0000 -0.0470 0.0007 703 LEU A CD2 \n23 N N . LEU A 12 ? 0.3764 0.4028 0.5052 0.0025 -0.0546 -0.0015 704 LEU A N \n24 C CA . LEU A 12 ? 0.3710 0.3925 0.4891 0.0020 -0.0524 -0.0024 704 LEU A CA \n25 C C . LEU A 12 ? 0.3995 0.4124 0.5132 0.0031 -0.0588 -0.0022 704 LEU A C \n26 O O . LEU A 12 ? 0.4022 0.4059 0.5070 0.0000 -0.0643 -0.0017 704 LEU A O \n27 C CB . LEU A 12 ? 0.3820 0.3990 0.4875 -0.0028 -0.0503 -0.0028 704 LEU A CB \n28 C CG . LEU A 12 ? 0.4517 0.4647 0.5466 -0.0044 -0.0477 -0.0034 704 LEU A CG \n29 C CD1 . LEU A 12 ? 0.3941 0.4144 0.4944 -0.0015 -0.0418 -0.0040 704 LEU A CD1 \n30 C CD2 . LEU A 12 ? 0.4643 0.4734 0.5479 -0.0094 -0.0458 -0.0037 704 LEU A CD2 \n31 N N . ARG A 13 ? 0.4031 0.4183 0.5225 0.0076 -0.0582 -0.0027 705 ARG A N \n32 C CA . ARG A 13 ? 0.4373 0.4437 0.5524 0.0093 -0.0645 -0.0027 705 ARG A CA \n33 C C . ARG A 13 ? 0.4882 0.4845 0.5869 0.0059 -0.0653 -0.0029 705 ARG A C \n34 O O . ARG A 13 ? 0.4859 0.4841 0.5800 0.0050 -0.0597 -0.0034 705 ARG A O \n35 C CB . ARG A 13 ? 0.5446 0.5561 0.6704 0.0157 -0.0635 -0.0034 705 ARG A CB \n36 C CG . ARG A 13 ? 0.5619 0.5820 0.7045 0.0191 -0.0647 -0.0029 705 ARG A CG \n37 C CD . ARG A 13 ? 0.7699 0.7979 0.9236 0.0253 -0.0604 -0.0039 705 ARG A CD \n38 N NE . ARG A 13 ? 1.0335 1.0620 1.1977 0.0299 -0.0658 -0.0039 705 ARG A NE \n39 C CZ . ARG A 13 ? 1.1062 1.1447 1.2872 0.0325 -0.0657 -0.0033 705 ARG A CZ \n40 N NH1 . ARG A 13 ? 1.1689 1.2171 1.3574 0.0307 -0.0606 -0.0026 705 ARG A NH1 \n41 N NH2 . ARG A 13 ? 1.0971 1.1359 1.2879 0.0370 -0.0711 -0.0035 705 ARG A NH2 \n42 N N . ILE A 14 ? 0.4766 0.4618 0.5663 0.0037 -0.0725 -0.0023 706 ILE A N \n43 C CA . ILE A 14 ? 0.5346 0.5092 0.6083 0.0000 -0.0739 -0.0022 706 ILE A CA \n44 C C . ILE A 14 ? 0.5844 0.5540 0.6582 0.0043 -0.0776 -0.0026 706 ILE A C \n45 O O . ILE A 14 ? 0.5473 0.5111 0.6227 0.0063 -0.0849 -0.0023 706 ILE A O \n46 C CB . ILE A 14 ? 0.6555 0.6189 0.7171 -0.0052 -0.0798 -0.0012 706 ILE A CB \n47 C CG1 . ILE A 14 ? 0.6363 0.6039 0.6991 -0.0084 -0.0774 -0.0010 706 ILE A CG1 \n48 C CG2 . ILE A 14 ? 0.6817 0.6350 0.7265 -0.0098 -0.0802 -0.0009 706 ILE A CG2 \n49 C CD1 . ILE A 14 ? 0.5418 0.5176 0.6047 -0.0102 -0.0685 -0.0016 706 ILE A CD1 \n50 N N . LEU A 15 ? 0.5526 0.5242 0.6247 0.0058 -0.0729 -0.0033 707 LEU A N \n51 C CA . LEU A 15 ? 0.5596 0.5267 0.6320 0.0107 -0.0757 -0.0041 707 LEU A CA \n52 C C . LEU A 15 ? 0.6465 0.5998 0.7022 0.0070 -0.0803 -0.0035 707 LEU A C \n53 O O . LEU A 15 ? 0.6247 0.5756 0.6699 0.0014 -0.0776 -0.0029 707 LEU A O \n54 C CB . LEU A 15 ? 0.5854 0.5608 0.6642 0.0147 -0.0686 -0.0052 707 LEU A CB \n55 C CG . LEU A 15 ? 0.6627 0.6521 0.7566 0.0179 -0.0624 -0.0057 707 LEU A CG \n56 C CD1 . LEU A 15 ? 0.5197 0.5132 0.6153 0.0213 -0.0563 -0.0067 707 LEU A CD1 \n57 C CD2 . LEU A 15 ? 0.5352 0.5290 0.6428 0.0224 -0.0658 -0.0057 707 LEU A CD2 \n58 N N . LYS A 16 ? 0.6234 0.5679 0.6771 0.0102 -0.0874 -0.0037 708 LYS A N \n59 C CA . LYS A 16 ? 0.7895 0.7197 0.8274 0.0076 -0.0924 -0.0033 708 LYS A CA \n60 C C . LYS A 16 ? 0.6539 0.5843 0.6901 0.0106 -0.0888 -0.0042 708 LYS A C \n61 O O . LYS A 16 ? 0.5800 0.5184 0.6277 0.0170 -0.0853 -0.0056 708 LYS A O \n62 C CB . LYS A 16 ? 0.8027 0.7226 0.8395 0.0105 -0.1023 -0.0032 708 LYS A CB \n63 C CG . LYS A 16 ? 0.9974 0.9118 1.0307 0.0063 -0.1081 -0.0019 708 LYS A CG \n64 C CD . LYS A 16 ? 1.1801 1.0964 1.2267 0.0122 -0.1142 -0.0024 708 LYS A CD \n65 C CE . LYS A 16 ? 1.2334 1.1425 1.2810 0.0184 -0.1201 -0.0034 708 LYS A CE \n66 N NZ . LYS A 16 ? 1.2740 1.1877 1.3377 0.0248 -0.1251 -0.0040 708 LYS A NZ \n67 N N . GLU A 17 ? 0.6711 0.5923 0.6924 0.0058 -0.0897 -0.0034 709 GLU A N \n68 C CA . GLU A 17 ? 0.6996 0.6184 0.7165 0.0077 -0.0874 -0.0040 709 GLU A CA \n69 C C . GLU A 17 ? 0.7493 0.6645 0.7710 0.0160 -0.0908 -0.0057 709 GLU A C \n70 O O . GLU A 17 ? 0.6931 0.6115 0.7176 0.0203 -0.0865 -0.0070 709 GLU A O \n71 C CB . GLU A 17 ? 0.7825 0.6893 0.7817 0.0007 -0.0904 -0.0025 709 GLU A CB \n72 C CG . GLU A 17 ? 0.9433 0.8557 0.9387 -0.0067 -0.0849 -0.0012 709 GLU A CG \n73 C CD . GLU A 17 ? 1.2260 1.1279 1.2053 -0.0138 -0.0871 0.0004 709 GLU A CD \n74 O OE1 . GLU A 17 ? 1.0992 1.0038 1.0763 -0.0157 -0.0830 0.0006 709 GLU A OE1 \n75 O OE2 . GLU A 17 ? 1.3467 1.2373 1.3152 -0.0178 -0.0933 0.0015 709 GLU A OE2 \n76 N N . THR A 18 ? 0.7519 0.6602 0.7742 0.0185 -0.0984 -0.0058 710 THR A N \n77 C CA . THR A 18 ? 0.7982 0.7034 0.8264 0.0270 -0.1020 -0.0076 710 THR A CA \n78 C C . THR A 18 ? 0.6977 0.6180 0.7450 0.0341 -0.0960 -0.0093 710 THR A C \n79 O O . THR A 18 ? 0.7409 0.6612 0.7941 0.0417 -0.0962 -0.0111 710 THR A O \n80 C CB . THR A 18 ? 0.8306 0.7247 0.8558 0.0278 -0.1125 -0.0073 710 THR A CB \n81 O OG1 . THR A 18 ? 0.8246 0.7251 0.8581 0.0258 -0.1136 -0.0064 710 THR A OG1 \n82 C CG2 . THR A 18 ? 0.8237 0.7009 0.8285 0.0213 -0.1189 -0.0057 710 THR A CG2 \n83 N N . GLU A 19 ? 0.6396 0.5723 0.6959 0.0315 -0.0905 -0.0086 711 GLU A N \n84 C CA . GLU A 19 ? 0.7106 0.6578 0.7851 0.0369 -0.0850 -0.0096 711 GLU A CA \n85 C C . GLU A 19 ? 0.7201 0.6751 0.7975 0.0392 -0.0760 -0.0107 711 GLU A C \n86 O O . GLU A 19 ? 0.6446 0.6101 0.7356 0.0446 -0.0711 -0.0118 711 GLU A O \n87 C CB . GLU A 19 ? 0.7716 0.7278 0.8537 0.0328 -0.0834 -0.0083 711 GLU A CB \n88 C CG . GLU A 19 ? 0.7783 0.7312 0.8645 0.0327 -0.0914 -0.0076 711 GLU A CG \n89 C CD . GLU A 19 ? 0.7319 0.6940 0.8256 0.0290 -0.0891 -0.0064 711 GLU A CD \n90 O OE1 . GLU A 19 ? 0.6710 0.6268 0.7549 0.0226 -0.0923 -0.0050 711 GLU A OE1 \n91 O OE2 . GLU A 19 ? 0.9164 0.8915 1.0251 0.0323 -0.0839 -0.0068 711 GLU A OE2 \n92 N N . PHE A 20 ? 0.6126 0.5625 0.6772 0.0347 -0.0737 -0.0101 712 PHE A N \n93 C CA . PHE A 20 ? 0.6800 0.6359 0.7455 0.0360 -0.0658 -0.0109 712 PHE A CA \n94 C C . PHE A 20 ? 0.5750 0.5195 0.6252 0.0345 -0.0670 -0.0110 712 PHE A C \n95 O O . PHE A 20 ? 0.6289 0.5627 0.6669 0.0299 -0.0728 -0.0098 712 PHE A O \n96 C CB . PHE A 20 ? 0.5773 0.5442 0.6475 0.0312 -0.0596 -0.0098 712 PHE A CB \n97 C CG . PHE A 20 ? 0.5363 0.4987 0.5954 0.0230 -0.0611 -0.0082 712 PHE A CG \n98 C CD1 . PHE A 20 ? 0.6429 0.6038 0.6934 0.0194 -0.0577 -0.0077 712 PHE A CD1 \n99 C CD2 . PHE A 20 ? 0.5799 0.5395 0.6368 0.0188 -0.0658 -0.0070 712 PHE A CD2 \n100 C CE1 . PHE A 20 ? 0.5615 0.5195 0.6029 0.0119 -0.0584 -0.0062 712 PHE A CE1 \n101 C CE2 . PHE A 20 ? 0.5369 0.4926 0.5832 0.0113 -0.0663 -0.0056 712 PHE A CE2 \n102 C CZ . PHE A 20 ? 0.5934 0.5490 0.6327 0.0079 -0.0623 -0.0052 712 PHE A CZ \n103 N N . LYS A 21 ? 0.5851 0.5316 0.6355 0.0380 -0.0617 -0.0122 713 LYS A N \n104 C CA . LYS A 21 ? 0.5833 0.5185 0.6194 0.0373 -0.0630 -0.0123 713 LYS A CA \n105 C C . LYS A 21 ? 0.6357 0.5763 0.6708 0.0357 -0.0559 -0.0123 713 LYS A C \n106 O O . LYS A 21 ? 0.5776 0.5274 0.6223 0.0399 -0.0498 -0.0134 713 LYS A O \n107 C CB . LYS A 21 ? 0.6447 0.5718 0.6792 0.0452 -0.0657 -0.0145 713 LYS A CB \n108 C CG . LYS A 21 ? 0.7942 0.7120 0.8262 0.0470 -0.0744 -0.0146 713 LYS A CG \n109 C CD . LYS A 21 ? 1.0478 0.9594 1.0806 0.0561 -0.0762 -0.0172 713 LYS A CD \n110 C CE . LYS A 21 ? 0.9047 0.8099 0.9397 0.0592 -0.0846 -0.0176 713 LYS A CE \n111 N NZ . LYS A 21 ? 0.9764 0.8743 1.0113 0.0684 -0.0869 -0.0203 713 LYS A NZ \n112 N N . LYS A 22 ? 0.5503 0.4849 0.5736 0.0295 -0.0571 -0.0108 714 LYS A N \n113 C CA . LYS A 22 ? 0.5983 0.5351 0.6184 0.0278 -0.0520 -0.0106 714 LYS A CA \n114 C C . LYS A 22 ? 0.6513 0.5786 0.6641 0.0333 -0.0525 -0.0122 714 LYS A C \n115 O O . LYS A 22 ? 0.6188 0.5331 0.6207 0.0335 -0.0585 -0.0123 714 LYS A O \n116 C CB . LYS A 22 ? 0.6461 0.5793 0.6566 0.0193 -0.0539 -0.0085 714 LYS A CB \n117 C CG . LYS A 22 ? 0.6952 0.6366 0.7107 0.0133 -0.0530 -0.0070 714 LYS A CG \n118 C CD . LYS A 22 ? 0.6996 0.6380 0.7060 0.0055 -0.0538 -0.0050 714 LYS A CD \n119 C CE . LYS A 22 ? 0.6853 0.6286 0.6933 -0.0006 -0.0539 -0.0036 714 LYS A CE \n120 N NZ . LYS A 22 ? 0.6756 0.6102 0.6776 -0.0020 -0.0602 -0.0031 714 LYS A NZ \n121 N N . ILE A 23 ? 0.5442 0.4768 0.5619 0.0378 -0.0463 -0.0136 715 ILE A N \n122 C CA . ILE A 23 ? 0.6316 0.5552 0.6425 0.0440 -0.0459 -0.0155 715 ILE A CA \n123 C C . ILE A 23 ? 0.6970 0.6143 0.6965 0.0408 -0.0447 -0.0149 715 ILE A C \n124 O O . ILE A 23 ? 0.6679 0.5716 0.6544 0.0413 -0.0490 -0.0151 715 ILE A O \n125 C CB . ILE A 23 ? 0.5406 0.4724 0.5633 0.0520 -0.0400 -0.0178 715 ILE A CB \n126 C CG1 . ILE A 23 ? 0.7073 0.6422 0.7398 0.0555 -0.0433 -0.0184 715 ILE A CG1 \n127 C CG2 . ILE A 23 ? 0.6282 0.5509 0.6430 0.0584 -0.0381 -0.0200 715 ILE A CG2 \n128 C CD1 . ILE A 23 ? 0.6901 0.6334 0.7357 0.0635 -0.0382 -0.0205 715 ILE A CD1 \n129 N N . LYS A 24 ? 0.5733 0.5001 0.5776 0.0374 -0.0396 -0.0139 716 LYS A N \n130 C CA . LYS A 24 ? 0.5657 0.4877 0.5607 0.0338 -0.0389 -0.0130 716 LYS A CA \n131 C C . LYS A 24 ? 0.6018 0.5341 0.6025 0.0269 -0.0368 -0.0110 716 LYS A C \n132 O O . LYS A 24 ? 0.4912 0.4354 0.5038 0.0266 -0.0335 -0.0109 716 LYS A O \n133 C CB . LYS A 24 ? 0.5531 0.4736 0.5466 0.0395 -0.0335 -0.0148 716 LYS A CB \n134 C CG . LYS A 24 ? 0.6711 0.5791 0.6557 0.0463 -0.0353 -0.0170 716 LYS A CG \n135 C CD . LYS A 24 ? 0.6245 0.5165 0.5919 0.0436 -0.0409 -0.0163 716 LYS A CD \n136 C CE . LYS A 24 ? 0.6951 0.5734 0.6535 0.0494 -0.0453 -0.0182 716 LYS A CE \n137 N NZ . LYS A 24 ? 0.7803 0.6553 0.7373 0.0579 -0.0403 -0.0212 716 LYS A NZ \n138 N N . VAL A 25 ? 0.5479 0.4754 0.5403 0.0214 -0.0388 -0.0094 717 VAL A N \n139 C CA . VAL A 25 ? 0.5797 0.5165 0.5772 0.0155 -0.0366 -0.0077 717 VAL A CA \n140 C C . VAL A 25 ? 0.5679 0.5116 0.5711 0.0181 -0.0305 -0.0085 717 VAL A C \n141 O O . VAL A 25 ? 0.5561 0.4932 0.5533 0.0220 -0.0291 -0.0096 717 VAL A O \n142 C CB . VAL A 25 ? 0.6752 0.6053 0.6631 0.0090 -0.0408 -0.0057 717 VAL A CB \n143 C CG1 . VAL A 25 ? 0.6255 0.5664 0.6205 0.0036 -0.0382 -0.0043 717 VAL A CG1 \n144 C CG2 . VAL A 25 ? 0.6742 0.5969 0.6553 0.0054 -0.0469 -0.0046 717 VAL A CG2 \n145 N N . LEU A 26 ? 0.4854 0.4416 0.4993 0.0160 -0.0270 -0.0080 718 LEU A N \n146 C CA . LEU A 26 ? 0.4266 0.3884 0.4445 0.0169 -0.0220 -0.0082 718 LEU A CA \n147 C C . LEU A 26 ? 0.4798 0.4421 0.4950 0.0109 -0.0235 -0.0065 718 LEU A C \n148 O O . LEU A 26 ? 0.4640 0.4199 0.4720 0.0109 -0.0239 -0.0064 718 LEU A O \n149 C CB . LEU A 26 ? 0.4616 0.4357 0.4927 0.0189 -0.0172 -0.0088 718 LEU A CB \n150 C CG . LEU A 26 ? 0.4637 0.4379 0.4987 0.0254 -0.0155 -0.0105 718 LEU A CG \n151 C CD1 . LEU A 26 ? 0.4676 0.4540 0.5162 0.0267 -0.0118 -0.0107 718 LEU A CD1 \n152 C CD2 . LEU A 26 ? 0.5541 0.5213 0.5826 0.0304 -0.0128 -0.0119 718 LEU A CD2 \n153 N N . GLY A 27 ? 0.4649 0.4345 0.4857 0.0059 -0.0244 -0.0053 719 GLY A N \n154 C CA . GLY A 27 ? 0.5634 0.5350 0.5834 0.0002 -0.0257 -0.0037 719 GLY A CA \n155 C C . GLY A 27 ? 0.7203 0.7009 0.7474 -0.0045 -0.0258 -0.0027 719 GLY A C \n156 O O . GLY A 27 ? 0.6658 0.6516 0.6986 -0.0035 -0.0244 -0.0033 719 GLY A O \n157 N N . SER A 28 ? 0.6398 0.6221 0.6664 -0.0098 -0.0273 -0.0013 720 SER A N \n158 C CA . SER A 28 ? 0.6494 0.6406 0.6824 -0.0146 -0.0266 -0.0004 720 SER A CA \n159 C C . SER A 28 ? 0.6178 0.6193 0.6603 -0.0150 -0.0230 -0.0007 720 SER A C \n160 O O . SER A 28 ? 0.6850 0.6859 0.7279 -0.0127 -0.0220 -0.0010 720 SER A O \n161 C CB . SER A 28 ? 0.8048 0.7918 0.8320 -0.0206 -0.0306 0.0014 720 SER A CB \n162 O OG . SER A 28 ? 0.8620 0.8410 0.8816 -0.0214 -0.0339 0.0017 720 SER A OG \n163 N N . GLY A 29 ? 0.7044 0.7145 0.7535 -0.0178 -0.0213 -0.0006 721 GLY A N \n164 C CA . GLY A 29 ? 0.6960 0.7159 0.7542 -0.0182 -0.0182 -0.0010 721 GLY A CA \n165 C C . GLY A 29 ? 0.7718 0.7984 0.8338 -0.0230 -0.0176 -0.0004 721 GLY A C \n166 O O . GLY A 29 ? 0.7501 0.7733 0.8072 -0.0262 -0.0195 0.0004 721 GLY A O \n167 N N . ALA A 30 ? 0.8690 0.9047 0.9395 -0.0233 -0.0149 -0.0009 722 ALA A N \n168 C CA . ALA A 30 ? 0.8869 0.9301 0.9621 -0.0272 -0.0131 -0.0008 722 ALA A CA \n169 C C . ALA A 30 ? 0.8699 0.9124 0.9424 -0.0280 -0.0122 -0.0012 722 ALA A C \n170 O O . ALA A 30 ? 0.7110 0.7539 0.7811 -0.0325 -0.0124 -0.0004 722 ALA A O \n171 C CB . ALA A 30 ? 0.9124 0.9648 0.9971 -0.0259 -0.0102 -0.0019 722 ALA A CB \n172 N N . PHE A 31 ? 0.6621 0.7032 0.7351 -0.0240 -0.0114 -0.0024 723 PHE A N \n173 C CA . PHE A 31 ? 0.5373 0.5777 0.6084 -0.0245 -0.0110 -0.0028 723 PHE A CA \n174 C C . PHE A 31 ? 0.5787 0.6097 0.6414 -0.0245 -0.0145 -0.0021 723 PHE A C \n175 O O . PHE A 31 ? 0.5892 0.6180 0.6487 -0.0261 -0.0152 -0.0021 723 PHE A O \n176 C CB . PHE A 31 ? 0.6469 0.6917 0.7240 -0.0208 -0.0086 -0.0043 723 PHE A CB \n177 C CG . PHE A 31 ? 0.6439 0.6971 0.7285 -0.0209 -0.0054 -0.0051 723 PHE A CG \n178 C CD1 . PHE A 31 ? 0.5928 0.6492 0.6831 -0.0171 -0.0040 -0.0060 723 PHE A CD1 \n179 C CD2 . PHE A 31 ? 0.5779 0.6359 0.6639 -0.0247 -0.0038 -0.0051 723 PHE A CD2 \n180 C CE1 . PHE A 31 ? 0.6524 0.7156 0.7491 -0.0169 -0.0017 -0.0069 723 PHE A CE1 \n181 C CE2 . PHE A 31 ? 0.4985 0.5643 0.5918 -0.0241 -0.0010 -0.0061 723 PHE A CE2 \n182 C CZ . PHE A 31 ? 0.5596 0.6275 0.6580 -0.0201 -0.0003 -0.0071 723 PHE A CZ \n183 N N . GLY A 32 ? 0.5278 0.5523 0.5863 -0.0227 -0.0170 -0.0017 724 GLY A N \n184 C CA . GLY A 32 ? 0.3769 0.3919 0.4274 -0.0221 -0.0207 -0.0012 724 GLY A CA \n185 C C . GLY A 32 ? 0.5134 0.5215 0.5601 -0.0181 -0.0225 -0.0014 724 GLY A C \n186 O O . GLY A 32 ? 0.5802 0.5901 0.6294 -0.0165 -0.0212 -0.0016 724 GLY A O \n187 N N . THR A 33 ? 0.4764 0.4762 0.5170 -0.0163 -0.0257 -0.0015 725 THR A N \n188 C CA . THR A 33 ? 0.4823 0.4736 0.5174 -0.0124 -0.0278 -0.0018 725 THR A CA \n189 C C . THR A 33 ? 0.4780 0.4682 0.5160 -0.0063 -0.0273 -0.0033 725 THR A C \n190 O O . THR A 33 ? 0.4210 0.4104 0.4595 -0.0061 -0.0289 -0.0034 725 THR A O \n191 C CB . THR A 33 ? 0.6312 0.6119 0.6553 -0.0156 -0.0328 -0.0006 725 THR A CB \n192 O OG1 . THR A 33 ? 0.5929 0.5754 0.6155 -0.0214 -0.0332 0.0009 725 THR A OG1 \n193 C CG2 . THR A 33 ? 0.5708 0.5414 0.5880 -0.0112 -0.0352 -0.0012 725 THR A CG2 \n194 N N . VAL A 34 ? 0.4022 0.3916 0.4414 -0.0015 -0.0253 -0.0042 726 VAL A N \n195 C CA . VAL A 34 ? 0.4419 0.4323 0.4860 0.0044 -0.0238 -0.0057 726 VAL A CA \n196 C C . VAL A 34 ? 0.4252 0.4055 0.4621 0.0088 -0.0260 -0.0065 726 VAL A C \n197 O O . VAL A 34 ? 0.4311 0.4047 0.4604 0.0087 -0.0268 -0.0063 726 VAL A O \n198 C CB . VAL A 34 ? 0.4085 0.4075 0.4612 0.0070 -0.0185 -0.0063 726 VAL A CB \n199 C CG1 . VAL A 34 ? 0.4253 0.4273 0.4848 0.0124 -0.0167 -0.0075 726 VAL A CG1 \n200 C CG2 . VAL A 34 ? 0.4510 0.4591 0.5102 0.0031 -0.0167 -0.0058 726 VAL A CG2 \n201 N N . TYR A 35 ? 0.4224 0.4013 0.4619 0.0127 -0.0273 -0.0074 727 TYR A N \n202 C CA . TYR A 35 ? 0.4083 0.3779 0.4422 0.0178 -0.0295 -0.0085 727 TYR A CA \n203 C C . TYR A 35 ? 0.4640 0.4392 0.5073 0.0243 -0.0258 -0.0101 727 TYR A C \n204 O O . TYR A 35 ? 0.4261 0.4106 0.4799 0.0244 -0.0240 -0.0100 727 TYR A O \n205 C CB . TYR A 35 ? 0.4395 0.4011 0.4676 0.0166 -0.0357 -0.0082 727 TYR A CB \n206 C CG . TYR A 35 ? 0.5156 0.4718 0.5346 0.0096 -0.0396 -0.0064 727 TYR A CG \n207 C CD1 . TYR A 35 ? 0.5819 0.5260 0.5887 0.0087 -0.0437 -0.0060 727 TYR A CD1 \n208 C CD2 . TYR A 35 ? 0.6136 0.5765 0.6360 0.0038 -0.0390 -0.0051 727 TYR A CD2 \n209 C CE1 . TYR A 35 ? 0.5355 0.4751 0.5344 0.0016 -0.0471 -0.0040 727 TYR A CE1 \n210 C CE2 . TYR A 35 ? 0.5874 0.5464 0.6021 -0.0027 -0.0417 -0.0034 727 TYR A CE2 \n211 C CZ . TYR A 35 ? 0.6596 0.6072 0.6630 -0.0041 -0.0458 -0.0027 727 TYR A CZ \n212 O OH . TYR A 35 ? 0.5373 0.4816 0.5337 -0.0112 -0.0485 -0.0007 727 TYR A OH \n213 N N . LYS A 36 ? 0.3901 0.3594 0.4296 0.0297 -0.0248 -0.0115 728 LYS A N \n214 C CA . LYS A 36 ? 0.4303 0.4034 0.4782 0.0365 -0.0220 -0.0132 728 LYS A CA \n215 C C . LYS A 36 ? 0.4869 0.4551 0.5348 0.0384 -0.0277 -0.0136 728 LYS A C \n216 O O . LYS A 36 ? 0.5013 0.4585 0.5382 0.0369 -0.0330 -0.0133 728 LYS A O \n217 C CB . LYS A 36 ? 0.5029 0.4705 0.5455 0.0419 -0.0186 -0.0148 728 LYS A CB \n218 C CG . LYS A 36 ? 0.6256 0.5983 0.6778 0.0491 -0.0145 -0.0167 728 LYS A CG \n219 C CD . LYS A 36 ? 0.5212 0.4864 0.5657 0.0546 -0.0112 -0.0185 728 LYS A CD \n220 C CE . LYS A 36 ? 0.6339 0.5857 0.6682 0.0579 -0.0166 -0.0198 728 LYS A CE \n221 N NZ . LYS A 36 ? 0.6462 0.5889 0.6706 0.0629 -0.0134 -0.0216 728 LYS A NZ \n222 N N . GLY A 37 ? 0.4750 0.4507 0.5347 0.0415 -0.0271 -0.0141 729 GLY A N \n223 C CA . GLY A 37 ? 0.4963 0.4672 0.5566 0.0434 -0.0331 -0.0144 729 GLY A CA \n224 C C . GLY A 37 ? 0.4489 0.4271 0.5229 0.0495 -0.0317 -0.0156 729 GLY A C \n225 O O . GLY A 37 ? 0.3944 0.3817 0.4776 0.0524 -0.0254 -0.0163 729 GLY A O \n226 N N . LEU A 38 ? 0.5185 0.4925 0.5939 0.0512 -0.0379 -0.0158 730 LEU A N \n227 C CA . LEU A 38 ? 0.4975 0.4788 0.5874 0.0564 -0.0380 -0.0167 730 LEU A CA \n228 C C . LEU A 38 ? 0.4499 0.4324 0.5437 0.0525 -0.0441 -0.0152 730 LEU A C \n229 O O . LEU A 38 ? 0.5295 0.5021 0.6126 0.0486 -0.0504 -0.0143 730 LEU A O \n230 C CB . LEU A 38 ? 0.6831 0.6574 0.7722 0.0642 -0.0403 -0.0189 730 LEU A CB \n231 C CG . LEU A 38 ? 0.6703 0.6452 0.7594 0.0704 -0.0335 -0.0210 730 LEU A CG \n232 C CD1 . LEU A 38 ? 0.6819 0.6476 0.7684 0.0779 -0.0372 -0.0233 730 LEU A CD1 \n233 C CD2 . LEU A 38 ? 0.7618 0.7519 0.8667 0.0729 -0.0256 -0.0212 730 LEU A CD2 \n234 N N . TRP A 39 ? 0.5003 0.4945 0.6088 0.0531 -0.0421 -0.0147 731 TRP A N \n235 C CA . TRP A 39 ? 0.4490 0.4439 0.5620 0.0503 -0.0481 -0.0135 731 TRP A CA \n236 C C . TRP A 39 ? 0.5233 0.5204 0.6484 0.0570 -0.0516 -0.0145 731 TRP A C \n237 O O . TRP A 39 ? 0.4699 0.4773 0.6087 0.0618 -0.0466 -0.0154 731 TRP A O \n238 C CB . TRP A 39 ? 0.5252 0.5302 0.6450 0.0454 -0.0449 -0.0119 731 TRP A CB \n239 C CG . TRP A 39 ? 0.5772 0.5833 0.7026 0.0430 -0.0508 -0.0107 731 TRP A CG \n240 C CD1 . TRP A 39 ? 0.6799 0.6758 0.7979 0.0410 -0.0591 -0.0102 731 TRP A CD1 \n241 C CD2 . TRP A 39 ? 0.6790 0.6959 0.8175 0.0419 -0.0494 -0.0097 731 TRP A CD2 \n242 N NE1 . TRP A 39 ? 0.7321 0.7315 0.8574 0.0390 -0.0629 -0.0090 731 TRP A NE1 \n243 C CE2 . TRP A 39 ? 0.6477 0.6600 0.7859 0.0395 -0.0572 -0.0087 731 TRP A CE2 \n244 C CE3 . TRP A 39 ? 0.5756 0.6048 0.7253 0.0425 -0.0426 -0.0095 731 TRP A CE3 \n245 C CZ2 . TRP A 39 ? 0.7745 0.7940 0.9232 0.0378 -0.0586 -0.0075 731 TRP A CZ2 \n246 C CZ3 . TRP A 39 ? 0.6856 0.7224 0.8462 0.0407 -0.0439 -0.0082 731 TRP A CZ3 \n247 C CH2 . TRP A 39 ? 0.7032 0.7351 0.8634 0.0385 -0.0519 -0.0073 731 TRP A CH2 \n248 N N . ILE A 40 ? 0.5550 0.5420 0.6747 0.0570 -0.0602 -0.0144 732 ILE A N \n249 C CA . ILE A 40 ? 0.6524 0.6397 0.7827 0.0628 -0.0656 -0.0152 732 ILE A CA \n250 C C . ILE A 40 ? 0.6218 0.6096 0.7559 0.0582 -0.0721 -0.0133 732 ILE A C \n251 O O . ILE A 40 ? 0.7091 0.6851 0.8313 0.0545 -0.0795 -0.0125 732 ILE A O \n252 C CB . ILE A 40 ? 0.6609 0.6339 0.7807 0.0668 -0.0715 -0.0167 732 ILE A CB \n253 C CG1 . ILE A 40 ? 0.6670 0.6368 0.7788 0.0699 -0.0655 -0.0183 732 ILE A CG1 \n254 C CG2 . ILE A 40 ? 0.8103 0.7845 0.9428 0.0741 -0.0766 -0.0179 732 ILE A CG2 \n255 C CD1 . ILE A 40 ? 0.7342 0.6869 0.8274 0.0689 -0.0711 -0.0187 732 ILE A CD1 \n256 N N . PRO A 41 ? 0.6345 0.6352 0.7837 0.0579 -0.0693 -0.0125 733 PRO A N \n257 C CA . PRO A 41 ? 0.6905 0.6909 0.8432 0.0539 -0.0760 -0.0107 733 PRO A CA \n258 C C . PRO A 41 ? 0.7821 0.7723 0.9336 0.0569 -0.0862 -0.0110 733 PRO A C \n259 O O . PRO A 41 ? 0.5827 0.5737 0.7418 0.0643 -0.0870 -0.0127 733 PRO A O \n260 C CB . PRO A 41 ? 0.7509 0.7670 0.9231 0.0557 -0.0718 -0.0102 733 PRO A CB \n261 C CG . PRO A 41 ? 0.7176 0.7419 0.8915 0.0570 -0.0612 -0.0110 733 PRO A CG \n262 C CD . PRO A 41 ? 0.7353 0.7505 0.8981 0.0607 -0.0602 -0.0129 733 PRO A CD \n263 N N . GLU A 42 ? 0.8490 0.8293 0.9904 0.0513 -0.0939 -0.0095 734 GLU A N \n264 C CA . GLU A 42 ? 1.1664 1.1326 1.3001 0.0526 -0.1043 -0.0097 734 GLU A CA \n265 C C . GLU A 42 ? 1.1970 1.1660 1.3464 0.0603 -0.1098 -0.0106 734 GLU A C \n266 O O . GLU A 42 ? 1.1585 1.1211 1.3061 0.0661 -0.1124 -0.0124 734 GLU A O \n267 C CB . GLU A 42 ? 1.3563 1.3120 1.4768 0.0446 -0.1111 -0.0076 734 GLU A CB \n268 C CG . GLU A 42 ? 1.5131 1.4771 1.6415 0.0403 -0.1102 -0.0060 734 GLU A CG \n269 C CD . GLU A 42 ? 1.7189 1.6734 1.8304 0.0316 -0.1126 -0.0044 734 GLU A CD \n270 O OE1 . GLU A 42 ? 1.6803 1.6203 1.7788 0.0290 -0.1208 -0.0037 734 GLU A OE1 \n271 O OE2 . GLU A 42 ? 1.6609 1.6224 1.7719 0.0273 -0.1061 -0.0038 734 GLU A OE2 \n272 N N . GLY A 43 ? 0.9273 0.9058 1.0924 0.0604 -0.1116 -0.0096 735 GLY A N \n273 C CA . GLY A 43 ? 1.2413 1.2231 1.4229 0.0671 -0.1178 -0.0102 735 GLY A CA \n274 C C . GLY A 43 ? 1.1310 1.1278 1.3312 0.0750 -0.1099 -0.0120 735 GLY A C \n275 O O . GLY A 43 ? 1.0334 1.0323 1.2459 0.0823 -0.1135 -0.0134 735 GLY A O \n276 N N . GLU A 44 ? 1.0028 1.0097 1.2045 0.0734 -0.0990 -0.0121 736 GLU A N \n277 C CA . GLU A 44 ? 0.9093 0.9317 1.1285 0.0795 -0.0901 -0.0134 736 GLU A CA \n278 C C . GLU A 44 ? 0.9792 0.9973 1.1934 0.0864 -0.0861 -0.0162 736 GLU A C \n279 O O . GLU A 44 ? 0.9644 0.9675 1.1617 0.0861 -0.0908 -0.0170 736 GLU A O \n280 C CB . GLU A 44 ? 0.9439 0.9772 1.1652 0.0745 -0.0808 -0.0121 736 GLU A CB \n281 C CG . GLU A 44 ? 0.8991 0.9310 1.1169 0.0664 -0.0852 -0.0095 736 GLU A CG \n282 C CD . GLU A 44 ? 1.0263 1.0690 1.2476 0.0620 -0.0768 -0.0083 736 GLU A CD \n283 O OE1 . GLU A 44 ? 0.9260 0.9636 1.1353 0.0550 -0.0774 -0.0070 736 GLU A OE1 \n284 O OE2 . GLU A 44 ? 1.1291 1.1851 1.3650 0.0654 -0.0695 -0.0087 736 GLU A OE2 \n285 N N . LYS A 45 ? 0.8575 0.8882 1.0857 0.0924 -0.0776 -0.0177 737 LYS A N \n286 C CA . LYS A 45 ? 1.0232 1.0497 1.2471 0.0998 -0.0737 -0.0207 737 LYS A CA \n287 C C . LYS A 45 ? 1.1394 1.1733 1.3618 0.1003 -0.0610 -0.0216 737 LYS A C \n288 O O . LYS A 45 ? 1.2995 1.3415 1.5326 0.1074 -0.0543 -0.0236 737 LYS A O \n289 C CB . LYS A 45 ? 1.2102 1.2412 1.4514 0.1091 -0.0770 -0.0226 737 LYS A CB \n290 C CG . LYS A 45 ? 1.3034 1.3224 1.5417 0.1099 -0.0906 -0.0223 737 LYS A CG \n291 C CD . LYS A 45 ? 1.4089 1.4304 1.6623 0.1205 -0.0938 -0.0249 737 LYS A CD \n292 C CE . LYS A 45 ? 1.4770 1.4851 1.7159 0.1267 -0.0934 -0.0280 737 LYS A CE \n293 N NZ . LYS A 45 ? 1.4929 1.5040 1.7476 0.1378 -0.0964 -0.0308 737 LYS A NZ \n294 N N . VAL A 46 ? 0.9539 0.9849 1.1628 0.0928 -0.0578 -0.0201 738 VAL A N \n295 C CA . VAL A 46 ? 0.8091 0.8451 1.0140 0.0922 -0.0468 -0.0207 738 VAL A CA \n296 C C . VAL A 46 ? 0.7822 0.8057 0.9646 0.0868 -0.0466 -0.0204 738 VAL A C \n297 O O . VAL A 46 ? 0.5589 0.5726 0.7300 0.0814 -0.0537 -0.0191 738 VAL A O \n298 C CB . VAL A 46 ? 0.8603 0.9119 1.0784 0.0884 -0.0403 -0.0188 738 VAL A CB \n299 C CG1 . VAL A 46 ? 0.9984 1.0644 1.2397 0.0942 -0.0378 -0.0193 738 VAL A CG1 \n300 C CG2 . VAL A 46 ? 0.7309 0.7814 0.9458 0.0800 -0.0457 -0.0161 738 VAL A CG2 \n301 N N . LYS A 47 ? 0.6855 0.7094 0.8618 0.0882 -0.0382 -0.0216 739 LYS A N \n302 C CA . LYS A 47 ? 0.7141 0.7284 0.8714 0.0831 -0.0369 -0.0211 739 LYS A CA \n303 C C . LYS A 47 ? 0.5750 0.5997 0.7355 0.0789 -0.0285 -0.0199 739 LYS A C \n304 O O . LYS A 47 ? 0.5541 0.5880 0.7239 0.0827 -0.0208 -0.0208 739 LYS A O \n305 C CB . LYS A 47 ? 0.6464 0.6502 0.7920 0.0884 -0.0352 -0.0236 739 LYS A CB \n306 C CG . LYS A 47 ? 0.8120 0.8031 0.9515 0.0926 -0.0439 -0.0249 739 LYS A CG \n307 C CD . LYS A 47 ? 0.8257 0.8089 0.9573 0.0996 -0.0407 -0.0278 739 LYS A CD \n308 C CE . LYS A 47 ? 0.8535 0.8206 0.9739 0.1026 -0.0498 -0.0290 739 LYS A CE \n309 N NZ . LYS A 47 ? 0.7836 0.7417 0.8942 0.1091 -0.0464 -0.0319 739 LYS A NZ \n310 N N . ILE A 48 ? 0.6242 0.6472 0.7771 0.0711 -0.0299 -0.0179 740 ILE A N \n311 C CA . ILE A 48 ? 0.4873 0.5194 0.6429 0.0670 -0.0229 -0.0167 740 ILE A CA \n312 C C . ILE A 48 ? 0.4382 0.4622 0.5770 0.0627 -0.0210 -0.0165 740 ILE A C \n313 O O . ILE A 48 ? 0.4231 0.4389 0.5512 0.0581 -0.0264 -0.0156 740 ILE A O \n314 C CB . ILE A 48 ? 0.5364 0.5760 0.7005 0.0616 -0.0255 -0.0145 740 ILE A CB \n315 C CG1 . ILE A 48 ? 0.4896 0.5371 0.6711 0.0655 -0.0282 -0.0144 740 ILE A CG1 \n316 C CG2 . ILE A 48 ? 0.4709 0.5188 0.6372 0.0575 -0.0187 -0.0134 740 ILE A CG2 \n317 C CD1 . ILE A 48 ? 0.5101 0.5589 0.6957 0.0605 -0.0348 -0.0124 740 ILE A CD1 \n318 N N . PRO A 49 ? 0.4620 0.4882 0.5985 0.0642 -0.0135 -0.0173 741 PRO A N \n319 C CA . PRO A 49 ? 0.4508 0.4699 0.5724 0.0601 -0.0119 -0.0169 741 PRO A CA \n320 C C . PRO A 49 ? 0.4429 0.4656 0.5636 0.0525 -0.0129 -0.0148 741 PRO A C \n321 O O . PRO A 49 ? 0.4329 0.4659 0.5639 0.0508 -0.0097 -0.0138 741 PRO A O \n322 C CB . PRO A 49 ? 0.4452 0.4677 0.5675 0.0633 -0.0035 -0.0179 741 PRO A CB \n323 C CG . PRO A 49 ? 0.4767 0.5061 0.6123 0.0703 -0.0007 -0.0193 741 PRO A CG \n324 C CD . PRO A 49 ? 0.4725 0.5084 0.6204 0.0690 -0.0059 -0.0182 741 PRO A CD \n325 N N . VAL A 50 ? 0.4513 0.4652 0.5597 0.0480 -0.0172 -0.0141 742 VAL A N \n326 C CA . VAL A 50 ? 0.4420 0.4583 0.5484 0.0411 -0.0184 -0.0124 742 VAL A CA \n327 C C . VAL A 50 ? 0.4083 0.4179 0.5016 0.0373 -0.0178 -0.0121 742 VAL A C \n328 O O . VAL A 50 ? 0.4027 0.4032 0.4862 0.0391 -0.0190 -0.0129 742 VAL A O \n329 C CB . VAL A 50 ? 0.4323 0.4458 0.5388 0.0383 -0.0254 -0.0116 742 VAL A CB \n330 C CG1 . VAL A 50 ? 0.4662 0.4876 0.5870 0.0410 -0.0263 -0.0115 742 VAL A CG1 \n331 C CG2 . VAL A 50 ? 0.4472 0.4481 0.5425 0.0390 -0.0314 -0.0120 742 VAL A CG2 \n332 N N . ALA A 51 ? 0.3559 0.3703 0.4495 0.0322 -0.0161 -0.0109 743 ALA A N \n333 C CA . ALA A 51 ? 0.3627 0.3718 0.4456 0.0275 -0.0169 -0.0102 743 ALA A CA \n334 C C . ALA A 51 ? 0.3415 0.3486 0.4217 0.0227 -0.0219 -0.0092 743 ALA A C \n335 O O . ALA A 51 ? 0.3424 0.3548 0.4298 0.0218 -0.0229 -0.0088 743 ALA A O \n336 C CB . ALA A 51 ? 0.3176 0.3334 0.4030 0.0252 -0.0120 -0.0098 743 ALA A CB \n337 N N . ILE A 52 ? 0.3550 0.3537 0.4241 0.0195 -0.0252 -0.0087 744 ILE A N \n338 C CA . ILE A 52 ? 0.3208 0.3162 0.3852 0.0146 -0.0296 -0.0077 744 ILE A CA \n339 C C . ILE A 52 ? 0.3993 0.3946 0.4576 0.0089 -0.0285 -0.0067 744 ILE A C \n340 O O . ILE A 52 ? 0.3874 0.3772 0.4385 0.0086 -0.0287 -0.0066 744 ILE A O \n341 C CB . ILE A 52 ? 0.3975 0.3817 0.4537 0.0157 -0.0355 -0.0078 744 ILE A CB \n342 C CG1 . ILE A 52 ? 0.4130 0.3977 0.4766 0.0219 -0.0369 -0.0089 744 ILE A CG1 \n343 C CG2 . ILE A 52 ? 0.4103 0.3898 0.4598 0.0098 -0.0399 -0.0065 744 ILE A CG2 \n344 C CD1 . ILE A 52 ? 0.5386 0.5119 0.5948 0.0249 -0.0422 -0.0096 744 ILE A CD1 \n345 N N . LYS A 53 ? 0.3721 0.3735 0.4336 0.0048 -0.0272 -0.0060 745 LYS A N \n346 C CA . LYS A 53 ? 0.3851 0.3878 0.4425 -0.0005 -0.0259 -0.0052 745 LYS A CA \n347 C C . LYS A 53 ? 0.4788 0.4769 0.5293 -0.0056 -0.0295 -0.0042 745 LYS A C \n348 O O . LYS A 53 ? 0.4724 0.4724 0.5253 -0.0068 -0.0302 -0.0042 745 LYS A O \n349 C CB . LYS A 53 ? 0.3374 0.3504 0.4031 -0.0012 -0.0212 -0.0054 745 LYS A CB \n350 C CG . LYS A 53 ? 0.3772 0.3928 0.4406 -0.0058 -0.0196 -0.0047 745 LYS A CG \n351 C CD . LYS A 53 ? 0.3706 0.3945 0.4416 -0.0046 -0.0153 -0.0052 745 LYS A CD \n352 C CE . LYS A 53 ? 0.4141 0.4407 0.4840 -0.0085 -0.0141 -0.0047 745 LYS A CE \n353 N NZ . LYS A 53 ? 0.4602 0.4932 0.5365 -0.0069 -0.0107 -0.0052 745 LYS A NZ \n354 N N . GLU A 54 ? 0.4315 0.4227 0.4729 -0.0089 -0.0318 -0.0033 746 GLU A N \n355 C CA . GLU A 54 ? 0.4188 0.4055 0.4525 -0.0149 -0.0345 -0.0020 746 GLU A CA \n356 C C . GLU A 54 ? 0.5190 0.5125 0.5540 -0.0199 -0.0310 -0.0014 746 GLU A C \n357 O O . GLU A 54 ? 0.5046 0.4993 0.5396 -0.0204 -0.0298 -0.0010 746 GLU A O \n358 C CB . GLU A 54 ? 0.4863 0.4613 0.5092 -0.0159 -0.0395 -0.0012 746 GLU A CB \n359 C CG . GLU A 54 ? 0.5544 0.5226 0.5684 -0.0215 -0.0433 0.0000 746 GLU A CG \n360 C CD . GLU A 54 ? 0.7303 0.6852 0.7338 -0.0210 -0.0494 0.0005 746 GLU A CD \n361 O OE1 . GLU A 54 ? 0.7859 0.7363 0.7852 -0.0204 -0.0505 0.0007 746 GLU A OE1 \n362 O OE2 . GLU A 54 ? 0.7327 0.6809 0.7318 -0.0211 -0.0537 0.0006 746 GLU A OE2 \n363 N N . LEU A 55 ? 0.5468 0.5442 0.5829 -0.0234 -0.0295 -0.0012 747 LEU A N \n364 C CA . LEU A 55 ? 0.6078 0.6135 0.6476 -0.0269 -0.0253 -0.0010 747 LEU A CA \n365 C C . LEU A 55 ? 0.7493 0.7523 0.7821 -0.0331 -0.0262 0.0004 747 LEU A C \n366 O O . LEU A 55 ? 0.6291 0.6230 0.6528 -0.0357 -0.0302 0.0015 747 LEU A O \n367 C CB . LEU A 55 ? 0.5203 0.5318 0.5645 -0.0275 -0.0226 -0.0018 747 LEU A CB \n368 C CG . LEU A 55 ? 0.5849 0.5998 0.6365 -0.0224 -0.0220 -0.0031 747 LEU A CG \n369 C CD1 . LEU A 55 ? 0.6954 0.7155 0.7500 -0.0239 -0.0193 -0.0038 747 LEU A CD1 \n370 C CD2 . LEU A 55 ? 0.5867 0.6064 0.6457 -0.0178 -0.0198 -0.0037 747 LEU A CD2 \n371 N N . ARG A 56 ? 0.8219 0.8329 0.8596 -0.0355 -0.0226 0.0006 748 ARG A N \n372 C CA . ARG A 56 ? 1.1080 1.1195 1.1418 -0.0420 -0.0223 0.0021 748 ARG A CA \n373 C C . ARG A 56 ? 1.0388 1.0509 1.0694 -0.0460 -0.0206 0.0021 748 ARG A C \n374 O O . ARG A 56 ? 0.7229 0.7402 0.7583 -0.0440 -0.0176 0.0007 748 ARG A O \n375 C CB . ARG A 56 ? 1.1845 1.2057 1.2267 -0.0428 -0.0188 0.0020 748 ARG A CB \n376 C CG . ARG A 56 ? 1.3936 1.4149 1.4396 -0.0384 -0.0196 0.0017 748 ARG A CG \n377 C CD . ARG A 56 ? 1.4596 1.4761 1.5009 -0.0413 -0.0228 0.0034 748 ARG A CD \n378 N NE . ARG A 56 ? 1.5199 1.5339 1.5623 -0.0368 -0.0241 0.0030 748 ARG A NE \n379 C CZ . ARG A 56 ? 1.5598 1.5723 1.6013 -0.0384 -0.0260 0.0041 748 ARG A CZ \n380 N NH1 . ARG A 56 ? 1.4878 1.4968 1.5289 -0.0341 -0.0269 0.0035 748 ARG A NH1 \n381 N NH2 . ARG A 56 ? 1.5250 1.5393 1.5659 -0.0444 -0.0269 0.0059 748 ARG A NH2 \n382 N N . GLU A 57 ? 1.2379 1.2438 1.2593 -0.0517 -0.0227 0.0038 749 GLU A N \n383 C CA . GLU A 57 ? 1.3739 1.3784 1.3896 -0.0563 -0.0212 0.0041 749 GLU A CA \n384 C C . GLU A 57 ? 1.4962 1.5115 1.5174 -0.0600 -0.0151 0.0039 749 GLU A C \n385 O O . GLU A 57 ? 1.6001 1.6236 1.6296 -0.0596 -0.0129 0.0039 749 GLU A O \n386 C CB . GLU A 57 ? 1.3684 1.3614 1.3712 -0.0615 -0.0258 0.0061 749 GLU A CB \n387 C CG . GLU A 57 ? 1.5587 1.5401 1.5553 -0.0577 -0.0322 0.0061 749 GLU A CG \n388 C CD . GLU A 57 ? 1.6847 1.6535 1.6677 -0.0629 -0.0374 0.0082 749 GLU A CD \n389 O OE1 . GLU A 57 ? 1.6527 1.6217 1.6305 -0.0700 -0.0358 0.0098 749 GLU A OE1 \n390 O OE2 . GLU A 57 ? 1.8156 1.7743 1.7932 -0.0598 -0.0431 0.0082 749 GLU A OE2 \n391 N N . ALA A 58 ? 1.4459 1.4609 1.4624 -0.0635 -0.0126 0.0037 750 ALA A N \n392 C CA . ALA A 58 ? 1.4919 1.5165 1.5125 -0.0672 -0.0063 0.0033 750 ALA A CA \n393 C C . ALA A 58 ? 1.5944 1.6135 1.6037 -0.0748 -0.0056 0.0049 750 ALA A C \n394 O O . ALA A 58 ? 1.7984 1.8057 1.7963 -0.0764 -0.0100 0.0058 750 ALA A O \n395 C CB . ALA A 58 ? 1.3958 1.4268 1.4228 -0.0632 -0.0021 0.0008 750 ALA A CB \n396 N N . THR A 59 ? 1.5547 1.5824 1.5674 -0.0794 -0.0001 0.0053 751 THR A N \n397 C CA . THR A 59 ? 1.5666 1.5906 1.5692 -0.0871 0.0018 0.0068 751 THR A CA \n398 C C . THR A 59 ? 1.5758 1.5949 1.5705 -0.0869 0.0040 0.0053 751 THR A C \n399 O O . THR A 59 ? 1.4822 1.4902 1.4632 -0.0914 0.0017 0.0065 751 THR A O \n400 C CB . THR A 59 ? 1.4814 1.5178 1.4915 -0.0918 0.0081 0.0075 751 THR A CB \n401 O OG1 . THR A 59 ? 1.2875 1.3301 1.3077 -0.0907 0.0061 0.0084 751 THR A OG1 \n402 C CG2 . THR A 59 ? 1.2617 1.2932 1.2605 -0.1009 0.0093 0.0099 751 THR A CG2 \n403 N N . SER A 60 ? 1.5251 1.5517 1.5280 -0.0818 0.0080 0.0026 752 SER A N \n404 C CA . SER A 60 ? 1.7078 1.7293 1.7041 -0.0805 0.0093 0.0009 752 SER A CA \n405 C C . SER A 60 ? 1.6285 1.6482 1.6299 -0.0729 0.0055 -0.0006 752 SER A C \n406 O O . SER A 60 ? 1.5703 1.5985 1.5817 -0.0682 0.0087 -0.0027 752 SER A O \n407 C CB . SER A 60 ? 1.6547 1.6855 1.6546 -0.0816 0.0178 -0.0009 752 SER A CB \n408 O OG . SER A 60 ? 1.5039 1.5285 1.4960 -0.0802 0.0188 -0.0027 752 SER A OG \n409 N N . PRO A 61 ? 1.5006 1.5094 1.4955 -0.0716 -0.0015 0.0003 753 PRO A N \n410 C CA . PRO A 61 ? 1.3478 1.3554 1.3483 -0.0648 -0.0052 -0.0008 753 PRO A CA \n411 C C . PRO A 61 ? 1.2333 1.2375 1.2304 -0.0631 -0.0046 -0.0024 753 PRO A C \n412 O O . PRO A 61 ? 1.1256 1.1245 1.1123 -0.0674 -0.0028 -0.0024 753 PRO A O \n413 C CB . PRO A 61 ? 1.3646 1.3613 1.3586 -0.0646 -0.0127 0.0008 753 PRO A CB \n414 C CG . PRO A 61 ? 1.3697 1.3608 1.3534 -0.0718 -0.0134 0.0030 753 PRO A CG \n415 C CD . PRO A 61 ? 1.3088 1.3053 1.2904 -0.0766 -0.0064 0.0026 753 PRO A CD \n416 N N . LYS A 62 ? 1.1578 1.1646 1.1629 -0.0570 -0.0062 -0.0037 754 LYS A N \n417 C CA . LYS A 62 ? 0.9913 0.9940 0.9936 -0.0551 -0.0070 -0.0051 754 LYS A CA \n418 C C . LYS A 62 ? 0.9257 0.9148 0.9173 -0.0563 -0.0140 -0.0038 754 LYS A C \n419 O O . LYS A 62 ? 0.9143 0.8987 0.9044 -0.0563 -0.0188 -0.0023 754 LYS A O \n420 C CB . LYS A 62 ? 0.8340 0.8438 0.8488 -0.0487 -0.0069 -0.0065 754 LYS A CB \n421 C CG . LYS A 62 ? 0.8269 0.8487 0.8513 -0.0471 -0.0005 -0.0079 754 LYS A CG \n422 C CD . LYS A 62 ? 0.8297 0.8571 0.8652 -0.0412 -0.0010 -0.0091 754 LYS A CD \n423 C CE . LYS A 62 ? 0.8751 0.9132 0.9194 -0.0396 0.0045 -0.0106 754 LYS A CE \n424 N NZ . LYS A 62 ? 0.8804 0.9229 0.9343 -0.0343 0.0038 -0.0116 754 LYS A NZ \n425 N N . ALA A 63 ? 0.8671 0.8494 0.8510 -0.0573 -0.0150 -0.0045 755 ALA A N \n426 C CA . ALA A 63 ? 0.8306 0.7997 0.8051 -0.0580 -0.0224 -0.0034 755 ALA A CA \n427 C C . ALA A 63 ? 0.7631 0.7333 0.7477 -0.0520 -0.0279 -0.0033 755 ALA A C \n428 O O . ALA A 63 ? 0.6261 0.6060 0.6231 -0.0475 -0.0255 -0.0044 755 ALA A O \n429 C CB . ALA A 63 ? 0.8198 0.7814 0.7843 -0.0600 -0.0223 -0.0043 755 ALA A CB \n430 N N . ASN A 64 ? 0.7207 0.6810 0.7001 -0.0520 -0.0351 -0.0020 756 ASN A N \n431 C CA . ASN A 64 ? 0.7466 0.7080 0.7358 -0.0462 -0.0402 -0.0020 756 ASN A CA \n432 C C . ASN A 64 ? 0.6435 0.6089 0.6407 -0.0426 -0.0403 -0.0031 756 ASN A C \n433 O O . ASN A 64 ? 0.6698 0.6435 0.6800 -0.0376 -0.0398 -0.0036 756 ASN A O \n434 C CB . ASN A 64 ? 0.7970 0.7460 0.7785 -0.0468 -0.0485 -0.0006 756 ASN A CB \n435 C CG . ASN A 64 ? 0.8562 0.8025 0.8338 -0.0484 -0.0495 0.0004 756 ASN A CG \n436 O OD1 . ASN A 64 ? 0.8723 0.8078 0.8422 -0.0494 -0.0560 0.0016 756 ASN A OD1 \n437 N ND2 . ASN A 64 ? 0.8060 0.7616 0.7890 -0.0486 -0.0436 0.0002 756 ASN A ND2 \n438 N N . LYS A 65 ? 0.6292 0.5884 0.6180 -0.0452 -0.0409 -0.0035 757 LYS A N \n439 C CA . LYS A 65 ? 0.6983 0.6592 0.6930 -0.0423 -0.0421 -0.0043 757 LYS A CA \n440 C C . LYS A 65 ? 0.6684 0.6420 0.6741 -0.0396 -0.0354 -0.0058 757 LYS A C \n441 O O . LYS A 65 ? 0.4950 0.4735 0.5108 -0.0357 -0.0365 -0.0061 757 LYS A O \n442 C CB . LYS A 65 ? 0.7462 0.6956 0.7275 -0.0459 -0.0449 -0.0044 757 LYS A CB \n443 C CG . LYS A 65 ? 0.8235 0.7718 0.7942 -0.0503 -0.0382 -0.0054 757 LYS A CG \n444 C CD . LYS A 65 ? 0.8875 0.8232 0.8441 -0.0535 -0.0411 -0.0056 757 LYS A CD \n445 C CE . LYS A 65 ? 1.0394 0.9751 0.9864 -0.0571 -0.0333 -0.0070 757 LYS A CE \n446 N NZ . LYS A 65 ? 1.2974 1.2194 1.2288 -0.0602 -0.0360 -0.0074 757 LYS A NZ \n447 N N . GLU A 66 ? 0.5339 0.5129 0.5379 -0.0417 -0.0287 -0.0065 758 GLU A N \n448 C CA . GLU A 66 ? 0.5727 0.5636 0.5871 -0.0390 -0.0226 -0.0079 758 GLU A CA \n449 C C . GLU A 66 ? 0.5628 0.5620 0.5901 -0.0348 -0.0227 -0.0075 758 GLU A C \n450 O O . GLU A 66 ? 0.5319 0.5383 0.5696 -0.0311 -0.0213 -0.0082 758 GLU A O \n451 C CB . GLU A 66 ? 0.7101 0.7046 0.7198 -0.0424 -0.0158 -0.0087 758 GLU A CB \n452 C CG . GLU A 66 ? 0.9416 0.9464 0.9599 -0.0399 -0.0098 -0.0106 758 GLU A CG \n453 C CD . GLU A 66 ? 1.1205 1.1299 1.1358 -0.0430 -0.0030 -0.0115 758 GLU A CD \n454 O OE1 . GLU A 66 ? 1.3700 1.3894 1.3945 -0.0408 0.0015 -0.0126 758 GLU A OE1 \n455 O OE2 . GLU A 66 ? 1.0307 1.0336 1.0344 -0.0478 -0.0022 -0.0110 758 GLU A OE2 \n456 N N . ILE A 67 ? 0.4829 0.4803 0.5086 -0.0357 -0.0244 -0.0063 759 ILE A N \n457 C CA . ILE A 67 ? 0.4997 0.5022 0.5350 -0.0318 -0.0254 -0.0058 759 ILE A CA \n458 C C . ILE A 67 ? 0.4590 0.4609 0.5016 -0.0275 -0.0299 -0.0056 759 ILE A C \n459 O O . ILE A 67 ? 0.4433 0.4528 0.4968 -0.0236 -0.0284 -0.0059 759 ILE A O \n460 C CB . ILE A 67 ? 0.5400 0.5374 0.5694 -0.0337 -0.0276 -0.0046 759 ILE A CB \n461 C CG1 . ILE A 67 ? 0.5931 0.5944 0.6195 -0.0374 -0.0225 -0.0046 759 ILE A CG1 \n462 C CG2 . ILE A 67 ? 0.5420 0.5415 0.5793 -0.0291 -0.0301 -0.0042 759 ILE A CG2 \n463 C CD1 . ILE A 67 ? 0.5535 0.5491 0.5725 -0.0405 -0.0247 -0.0031 759 ILE A CD1 \n464 N N . LEU A 68 ? 0.4029 0.3958 0.4394 -0.0286 -0.0355 -0.0049 760 LEU A N \n465 C CA . LEU A 68 ? 0.5517 0.5445 0.5960 -0.0249 -0.0403 -0.0046 760 LEU A CA \n466 C C . LEU A 68 ? 0.5372 0.5366 0.5894 -0.0232 -0.0379 -0.0054 760 LEU A C \n467 O O . LEU A 68 ? 0.4592 0.4645 0.5228 -0.0194 -0.0385 -0.0052 760 LEU A O \n468 C CB . LEU A 68 ? 0.4702 0.4514 0.5062 -0.0267 -0.0475 -0.0037 760 LEU A CB \n469 C CG . LEU A 68 ? 0.5156 0.4901 0.5461 -0.0271 -0.0512 -0.0028 760 LEU A CG \n470 C CD1 . LEU A 68 ? 0.6034 0.5646 0.6229 -0.0298 -0.0585 -0.0019 760 LEU A CD1 \n471 C CD2 . LEU A 68 ? 0.4923 0.4723 0.5345 -0.0217 -0.0522 -0.0027 760 LEU A CD2 \n472 N N . ASP A 69 ? 0.4570 0.4554 0.5030 -0.0260 -0.0349 -0.0062 761 ASP A N \n473 C CA . ASP A 69 ? 0.4783 0.4811 0.5297 -0.0247 -0.0330 -0.0071 761 ASP A CA \n474 C C . ASP A 69 ? 0.5570 0.5711 0.6197 -0.0215 -0.0281 -0.0077 761 ASP A C \n475 O O . ASP A 69 ? 0.4906 0.5092 0.5622 -0.0190 -0.0286 -0.0076 761 ASP A O \n476 C CB . ASP A 69 ? 0.5471 0.5453 0.5877 -0.0281 -0.0306 -0.0082 761 ASP A CB \n477 C CG . ASP A 69 ? 0.7236 0.7246 0.7681 -0.0267 -0.0292 -0.0093 761 ASP A CG \n478 O OD1 . ASP A 69 ? 0.6087 0.6131 0.6515 -0.0272 -0.0237 -0.0108 761 ASP A OD1 \n479 O OD2 . ASP A 69 ? 0.5894 0.5891 0.6389 -0.0252 -0.0337 -0.0086 761 ASP A OD2 \n480 N N . GLU A 70 ? 0.4300 0.4482 0.4922 -0.0220 -0.0237 -0.0081 762 GLU A N \n481 C CA . GLU A 70 ? 0.4078 0.4352 0.4794 -0.0193 -0.0196 -0.0085 762 GLU A CA \n482 C C . GLU A 70 ? 0.3738 0.4039 0.4536 -0.0159 -0.0216 -0.0075 762 GLU A C \n483 O O . GLU A 70 ? 0.4230 0.4594 0.5119 -0.0131 -0.0200 -0.0076 762 GLU A O \n484 C CB . GLU A 70 ? 0.4732 0.5038 0.5419 -0.0211 -0.0150 -0.0091 762 GLU A CB \n485 C CG . GLU A 70 ? 0.5558 0.5852 0.6178 -0.0240 -0.0120 -0.0103 762 GLU A CG \n486 C CD . GLU A 70 ? 0.8193 0.8552 0.8829 -0.0248 -0.0066 -0.0112 762 GLU A CD \n487 O OE1 . GLU A 70 ? 0.7418 0.7770 0.7997 -0.0273 -0.0036 -0.0123 762 GLU A OE1 \n488 O OE2 . GLU A 70 ? 0.7233 0.7650 0.7939 -0.0229 -0.0053 -0.0109 762 GLU A OE2 \n489 N N . ALA A 71 ? 0.3592 0.3840 0.4355 -0.0161 -0.0252 -0.0067 763 ALA A N \n490 C CA . ALA A 71 ? 0.3449 0.3718 0.4286 -0.0124 -0.0268 -0.0060 763 ALA A CA \n491 C C . ALA A 71 ? 0.3643 0.3934 0.4565 -0.0100 -0.0294 -0.0056 763 ALA A C \n492 O O . ALA A 71 ? 0.3616 0.3962 0.4631 -0.0066 -0.0284 -0.0054 763 ALA A O \n493 C CB . ALA A 71 ? 0.3676 0.3874 0.4452 -0.0128 -0.0307 -0.0054 763 ALA A CB \n494 N N . TYR A 72 ? 0.3293 0.3539 0.4182 -0.0120 -0.0327 -0.0055 764 TYR A N \n495 C CA . TYR A 72 ? 0.3366 0.3628 0.4338 -0.0102 -0.0361 -0.0047 764 TYR A CA \n496 C C . TYR A 72 ? 0.3166 0.3516 0.4230 -0.0085 -0.0319 -0.0050 764 TYR A C \n497 O O . TYR A 72 ? 0.3194 0.3593 0.4360 -0.0060 -0.0326 -0.0042 764 TYR A O \n498 C CB . TYR A 72 ? 0.3550 0.3738 0.4455 -0.0131 -0.0405 -0.0045 764 TYR A CB \n499 C CG . TYR A 72 ? 0.3434 0.3637 0.4428 -0.0118 -0.0448 -0.0035 764 TYR A CG \n500 C CD1 . TYR A 72 ? 0.3371 0.3606 0.4401 -0.0123 -0.0435 -0.0036 764 TYR A CD1 \n501 C CD2 . TYR A 72 ? 0.3529 0.3714 0.4575 -0.0101 -0.0503 -0.0024 764 TYR A CD2 \n502 C CE1 . TYR A 72 ? 0.4169 0.4418 0.5284 -0.0116 -0.0477 -0.0024 764 TYR A CE1 \n503 C CE2 . TYR A 72 ? 0.3858 0.4066 0.5001 -0.0091 -0.0544 -0.0012 764 TYR A CE2 \n504 C CZ . TYR A 72 ? 0.3495 0.3736 0.4671 -0.0101 -0.0531 -0.0011 764 TYR A CZ \n505 O OH . TYR A 72 ? 0.4096 0.4360 0.5370 -0.0097 -0.0575 0.0002 764 TYR A OH \n506 N N . VAL A 73 ? 0.3378 0.3749 0.4407 -0.0098 -0.0275 -0.0060 765 VAL A N \n507 C CA . VAL A 73 ? 0.3283 0.3725 0.4388 -0.0084 -0.0240 -0.0062 765 VAL A CA \n508 C C . VAL A 73 ? 0.3048 0.3548 0.4224 -0.0055 -0.0212 -0.0059 765 VAL A C \n509 O O . VAL A 73 ? 0.2999 0.3554 0.4260 -0.0037 -0.0199 -0.0053 765 VAL A O \n510 C CB . VAL A 73 ? 0.3849 0.4298 0.4902 -0.0100 -0.0200 -0.0076 765 VAL A CB \n511 C CG1 . VAL A 73 ? 0.4236 0.4747 0.5362 -0.0084 -0.0173 -0.0078 765 VAL A CG1 \n512 C CG2 . VAL A 73 ? 0.4496 0.4878 0.5462 -0.0127 -0.0221 -0.0083 765 VAL A CG2 \n513 N N . MET A 74 ? 0.2829 0.3312 0.3963 -0.0052 -0.0204 -0.0061 766 MET A N \n514 C CA . MET A 74 ? 0.2877 0.3399 0.4058 -0.0024 -0.0179 -0.0059 766 MET A CA \n515 C C . MET A 74 ? 0.3467 0.4001 0.4724 0.0004 -0.0202 -0.0051 766 MET A C \n516 O O . MET A 74 ? 0.3738 0.4322 0.5063 0.0031 -0.0176 -0.0048 766 MET A O \n517 C CB . MET A 74 ? 0.3460 0.3948 0.4566 -0.0031 -0.0169 -0.0063 766 MET A CB \n518 C CG . MET A 74 ? 0.4095 0.4587 0.5145 -0.0059 -0.0141 -0.0071 766 MET A CG \n519 S SD . MET A 74 ? 0.4008 0.4444 0.4965 -0.0079 -0.0150 -0.0070 766 MET A SD \n520 C CE . MET A 74 ? 0.3262 0.3728 0.4185 -0.0109 -0.0110 -0.0077 766 MET A CE \n521 N N . ALA A 75 ? 0.2656 0.3147 0.3904 0.0000 -0.0252 -0.0046 767 ALA A N \n522 C CA . ALA A 75 ? 0.2975 0.3484 0.4312 0.0028 -0.0281 -0.0038 767 ALA A CA \n523 C C . ALA A 75 ? 0.3196 0.3760 0.4633 0.0030 -0.0287 -0.0029 767 ALA A C \n524 O O . ALA A 75 ? 0.3746 0.4355 0.5286 0.0056 -0.0296 -0.0021 767 ALA A O \n525 C CB . ALA A 75 ? 0.2950 0.3382 0.4237 0.0022 -0.0341 -0.0035 767 ALA A CB \n526 N N . SER A 76 ? 0.3572 0.4132 0.4980 0.0002 -0.0282 -0.0029 768 SER A N \n527 C CA . SER A 76 ? 0.3946 0.4539 0.5428 -0.0004 -0.0299 -0.0019 768 SER A CA \n528 C C . SER A 76 ? 0.3727 0.4399 0.5288 0.0006 -0.0249 -0.0016 768 SER A C \n529 O O . SER A 76 ? 0.4448 0.5159 0.6088 0.0002 -0.0260 -0.0004 768 SER A O \n530 C CB . SER A 76 ? 0.3198 0.3734 0.4595 -0.0039 -0.0318 -0.0024 768 SER A CB \n531 O OG . SER A 76 ? 0.4849 0.5409 0.6219 -0.0045 -0.0270 -0.0033 768 SER A OG \n532 N N . VAL A 77 ? 0.3042 0.3734 0.4578 0.0018 -0.0200 -0.0024 769 VAL A N \n533 C CA . VAL A 77 ? 0.3247 0.3998 0.4835 0.0024 -0.0155 -0.0021 769 VAL A CA \n534 C C . VAL A 77 ? 0.3687 0.4501 0.5386 0.0048 -0.0140 -0.0009 769 VAL A C \n535 O O . VAL A 77 ? 0.4329 0.5147 0.6052 0.0074 -0.0141 -0.0011 769 VAL A O \n536 C CB . VAL A 77 ? 0.3814 0.4560 0.5338 0.0027 -0.0111 -0.0032 769 VAL A CB \n537 C CG1 . VAL A 77 ? 0.3608 0.4310 0.5044 0.0002 -0.0118 -0.0043 769 VAL A CG1 \n538 C CG2 . VAL A 77 ? 0.4688 0.5418 0.6187 0.0050 -0.0101 -0.0037 769 VAL A CG2 \n539 N N . ASP A 78 ? 0.3175 0.4037 0.4942 0.0039 -0.0127 0.0001 770 ASP A N \n540 C CA . ASP A 78 ? 0.4067 0.4999 0.5951 0.0056 -0.0111 0.0015 770 ASP A CA \n541 C C . ASP A 78 ? 0.3131 0.4103 0.5035 0.0047 -0.0064 0.0021 770 ASP A C \n542 O O . ASP A 78 ? 0.3297 0.4285 0.5234 0.0022 -0.0076 0.0033 770 ASP A O \n543 C CB . ASP A 78 ? 0.3660 0.4609 0.5627 0.0044 -0.0164 0.0030 770 ASP A CB \n544 C CG . ASP A 78 ? 0.4215 0.5249 0.6323 0.0062 -0.0148 0.0045 770 ASP A CG \n545 O OD1 . ASP A 78 ? 0.4180 0.5248 0.6312 0.0093 -0.0102 0.0039 770 ASP A OD1 \n546 O OD2 . ASP A 78 ? 0.6700 0.7767 0.8894 0.0044 -0.0181 0.0062 770 ASP A OD2 \n547 N N . ASN A 79 ? 0.2585 0.3563 0.4459 0.0066 -0.0014 0.0013 771 ASN A N \n548 C CA . ASN A 79 ? 0.2689 0.3689 0.4561 0.0058 0.0031 0.0018 771 ASN A CA \n549 C C . ASN A 79 ? 0.2652 0.3663 0.4515 0.0088 0.0081 0.0013 771 ASN A C \n550 O O . ASN A 79 ? 0.3167 0.4140 0.4974 0.0109 0.0079 0.0000 771 ASN A O \n551 C CB . ASN A 79 ? 0.3097 0.4047 0.4873 0.0038 0.0027 0.0009 771 ASN A CB \n552 C CG . ASN A 79 ? 0.3228 0.4187 0.4991 0.0029 0.0065 0.0014 771 ASN A CG \n553 O OD1 . ASN A 79 ? 0.3208 0.4155 0.4928 0.0043 0.0101 0.0008 771 ASN A OD1 \n554 N ND2 . ASN A 79 ? 0.3130 0.4101 0.4923 0.0003 0.0054 0.0027 771 ASN A ND2 \n555 N N . PRO A 80 ? 0.3693 0.4748 0.5601 0.0089 0.0128 0.0023 772 PRO A N \n556 C CA . PRO A 80 ? 0.3736 0.4796 0.5632 0.0119 0.0180 0.0018 772 PRO A CA \n557 C C . PRO A 80 ? 0.3282 0.4272 0.5054 0.0126 0.0194 0.0003 772 PRO A C \n558 O O . PRO A 80 ? 0.2973 0.3944 0.4712 0.0155 0.0223 -0.0005 772 PRO A O \n559 C CB . PRO A 80 ? 0.4673 0.5783 0.6622 0.0105 0.0226 0.0034 772 PRO A CB \n560 C CG . PRO A 80 ? 0.5154 0.6308 0.7190 0.0075 0.0190 0.0051 772 PRO A CG \n561 C CD . PRO A 80 ? 0.3635 0.4734 0.5611 0.0060 0.0132 0.0043 772 PRO A CD \n562 N N . HIS A 81 ? 0.3168 0.4120 0.4874 0.0100 0.0173 0.0000 773 HIS A N \n563 C CA . HIS A 81 ? 0.3260 0.4151 0.4860 0.0103 0.0182 -0.0011 773 HIS A CA \n564 C C . HIS A 81 ? 0.2991 0.3839 0.4534 0.0100 0.0142 -0.0023 773 HIS A C \n565 O O . HIS A 81 ? 0.3228 0.4035 0.4695 0.0093 0.0140 -0.0031 773 HIS A O \n566 C CB . HIS A 81 ? 0.2993 0.3870 0.4558 0.0080 0.0198 -0.0005 773 HIS A CB \n567 C CG . HIS A 81 ? 0.4032 0.4948 0.5647 0.0075 0.0238 0.0010 773 HIS A CG \n568 N ND1 . HIS A 81 ? 0.3713 0.4632 0.5321 0.0096 0.0287 0.0010 773 HIS A ND1 \n569 C CD2 . HIS A 81 ? 0.4626 0.5579 0.6300 0.0050 0.0236 0.0025 773 HIS A CD2 \n570 C CE1 . HIS A 81 ? 0.3658 0.4619 0.5319 0.0082 0.0319 0.0026 773 HIS A CE1 \n571 N NE2 . HIS A 81 ? 0.3285 0.4267 0.4988 0.0053 0.0287 0.0037 773 HIS A NE2 \n572 N N . VAL A 82 ? 0.3293 0.4152 0.4873 0.0103 0.0110 -0.0024 774 VAL A N \n573 C CA . VAL A 82 ? 0.3244 0.4062 0.4768 0.0097 0.0074 -0.0034 774 VAL A CA \n574 C C . VAL A 82 ? 0.3232 0.4040 0.4771 0.0121 0.0058 -0.0037 774 VAL A C \n575 O O . VAL A 82 ? 0.3463 0.4307 0.5081 0.0131 0.0048 -0.0030 774 VAL A O \n576 C CB . VAL A 82 ? 0.4008 0.4826 0.5538 0.0070 0.0039 -0.0034 774 VAL A CB \n577 C CG1 . VAL A 82 ? 0.2900 0.3672 0.4357 0.0060 0.0013 -0.0044 774 VAL A CG1 \n578 C CG2 . VAL A 82 ? 0.3588 0.4417 0.5116 0.0051 0.0050 -0.0031 774 VAL A CG2 \n579 N N . CYS A 83 ? 0.3192 0.3949 0.4656 0.0130 0.0053 -0.0047 775 CYS A N \n580 C CA . CYS A 83 ? 0.3447 0.4175 0.4903 0.0149 0.0027 -0.0051 775 CYS A CA \n581 C C . CYS A 83 ? 0.3218 0.3934 0.4678 0.0129 -0.0021 -0.0049 775 CYS A C \n582 O O . CYS A 83 ? 0.3820 0.4530 0.5251 0.0098 -0.0033 -0.0049 775 CYS A O \n583 C CB . CYS A 83 ? 0.3039 0.3703 0.4397 0.0154 0.0027 -0.0059 775 CYS A CB \n584 S SG . CYS A 83 ? 0.3937 0.4590 0.5269 0.0183 0.0077 -0.0063 775 CYS A SG \n585 N N . ARG A 84 ? 0.2800 0.3504 0.4288 0.0146 -0.0051 -0.0049 776 ARG A N \n586 C CA . ARG A 84 ? 0.2602 0.3277 0.4076 0.0125 -0.0103 -0.0047 776 ARG A CA \n587 C C . ARG A 84 ? 0.2505 0.3112 0.3915 0.0133 -0.0138 -0.0052 776 ARG A C \n588 O O . ARG A 84 ? 0.2948 0.3540 0.4357 0.0166 -0.0130 -0.0056 776 ARG A O \n589 C CB . ARG A 84 ? 0.3903 0.4623 0.5478 0.0127 -0.0125 -0.0036 776 ARG A CB \n590 C CG . ARG A 84 ? 0.4227 0.4956 0.5870 0.0161 -0.0147 -0.0035 776 ARG A CG \n591 C CD . ARG A 84 ? 0.6046 0.6802 0.7774 0.0151 -0.0191 -0.0023 776 ARG A CD \n592 N NE . ARG A 84 ? 0.5696 0.6437 0.7469 0.0181 -0.0231 -0.0023 776 ARG A NE \n593 C CZ . ARG A 84 ? 0.6357 0.7027 0.8077 0.0171 -0.0293 -0.0024 776 ARG A CZ \n594 N NH1 . ARG A 84 ? 0.5065 0.5672 0.6682 0.0130 -0.0318 -0.0024 776 ARG A NH1 \n595 N NH2 . ARG A 84 ? 0.7123 0.7782 0.8893 0.0203 -0.0332 -0.0025 776 ARG A NH2 \n596 N N . LEU A 85 ? 0.3523 0.4081 0.4866 0.0102 -0.0174 -0.0052 777 LEU A N \n597 C CA . LEU A 85 ? 0.4424 0.4906 0.5692 0.0099 -0.0214 -0.0054 777 LEU A CA \n598 C C . LEU A 85 ? 0.4605 0.5081 0.5937 0.0124 -0.0258 -0.0050 777 LEU A C \n599 O O . LEU A 85 ? 0.3983 0.4489 0.5381 0.0117 -0.0278 -0.0043 777 LEU A O \n600 C CB . LEU A 85 ? 0.4243 0.4679 0.5421 0.0053 -0.0233 -0.0054 777 LEU A CB \n601 C CG . LEU A 85 ? 0.4833 0.5186 0.5902 0.0034 -0.0260 -0.0055 777 LEU A CG \n602 C CD1 . LEU A 85 ? 0.4002 0.4347 0.5036 0.0047 -0.0231 -0.0059 777 LEU A CD1 \n603 C CD2 . LEU A 85 ? 0.4528 0.4854 0.5520 -0.0013 -0.0263 -0.0055 777 LEU A CD2 \n604 N N . LEU A 86 ? 0.3919 0.4355 0.5237 0.0155 -0.0275 -0.0055 778 LEU A N \n605 C CA . LEU A 86 ? 0.4094 0.4519 0.5474 0.0184 -0.0323 -0.0053 778 LEU A CA \n606 C C . LEU A 86 ? 0.4495 0.4823 0.5785 0.0159 -0.0390 -0.0050 778 LEU A C \n607 O O . LEU A 86 ? 0.5158 0.5470 0.6488 0.0162 -0.0444 -0.0044 778 LEU A O \n608 C CB . LEU A 86 ? 0.3567 0.3996 0.4982 0.0238 -0.0307 -0.0062 778 LEU A CB \n609 C CG . LEU A 86 ? 0.4776 0.5295 0.6286 0.0272 -0.0242 -0.0065 778 LEU A CG \n610 C CD1 . LEU A 86 ? 0.4629 0.5123 0.6132 0.0324 -0.0227 -0.0078 778 LEU A CD1 \n611 C CD2 . LEU A 86 ? 0.6299 0.6907 0.7954 0.0281 -0.0243 -0.0056 778 LEU A CD2 \n612 N N . GLY A 87 ? 0.4424 0.4684 0.5588 0.0131 -0.0390 -0.0053 779 GLY A N \n613 C CA . GLY A 87 ? 0.4418 0.4575 0.5480 0.0106 -0.0450 -0.0050 779 GLY A CA \n614 C C . GLY A 87 ? 0.4039 0.4142 0.4970 0.0060 -0.0437 -0.0049 779 GLY A C \n615 O O . GLY A 87 ? 0.4021 0.4163 0.4942 0.0052 -0.0384 -0.0052 779 GLY A O \n616 N N . ILE A 88 ? 0.4339 0.4348 0.5170 0.0027 -0.0487 -0.0044 780 ILE A N \n617 C CA . ILE A 88 ? 0.3940 0.3896 0.4647 -0.0022 -0.0478 -0.0041 780 ILE A CA \n618 C C . ILE A 88 ? 0.4611 0.4446 0.5213 -0.0038 -0.0544 -0.0035 780 ILE A C \n619 O O . ILE A 88 ? 0.4409 0.4199 0.5025 -0.0023 -0.0601 -0.0033 780 ILE A O \n620 C CB . ILE A 88 ? 0.4429 0.4416 0.5115 -0.0068 -0.0451 -0.0039 780 ILE A CB \n621 C CG1 . ILE A 88 ? 0.4507 0.4467 0.5088 -0.0118 -0.0426 -0.0037 780 ILE A CG1 \n622 C CG2 . ILE A 88 ? 0.4840 0.4783 0.5513 -0.0084 -0.0499 -0.0034 780 ILE A CG2 \n623 C CD1 . ILE A 88 ? 0.5010 0.5021 0.5590 -0.0151 -0.0383 -0.0039 780 ILE A CD1 \n624 N N . CYS A 89 ? 0.4241 0.4021 0.4739 -0.0069 -0.0539 -0.0032 781 CYS A N \n625 C CA . CYS A 89 ? 0.5001 0.4657 0.5380 -0.0093 -0.0600 -0.0024 781 CYS A CA \n626 C C . CYS A 89 ? 0.5421 0.5047 0.5688 -0.0162 -0.0579 -0.0016 781 CYS A C \n627 O O . CYS A 89 ? 0.5386 0.5047 0.5643 -0.0174 -0.0536 -0.0016 781 CYS A O \n628 C CB . CYS A 89 ? 0.5332 0.4940 0.5704 -0.0050 -0.0626 -0.0029 781 CYS A CB \n629 S SG . CYS A 89 ? 0.6760 0.6198 0.6973 -0.0079 -0.0708 -0.0019 781 CYS A SG \n630 N N . LEU A 90 ? 0.5191 0.4755 0.5376 -0.0208 -0.0607 -0.0008 782 LEU A N \n631 C CA . LEU A 90 ? 0.6776 0.6306 0.6849 -0.0277 -0.0585 0.0000 782 LEU A CA \n632 C C . LEU A 90 ? 0.7556 0.6950 0.7494 -0.0309 -0.0645 0.0012 782 LEU A C \n633 O O . LEU A 90 ? 0.7032 0.6334 0.6929 -0.0299 -0.0713 0.0015 782 LEU A O \n634 C CB . LEU A 90 ? 0.6064 0.5606 0.6114 -0.0313 -0.0568 0.0000 782 LEU A CB \n635 C CG . LEU A 90 ? 0.6390 0.6052 0.6562 -0.0286 -0.0516 -0.0011 782 LEU A CG \n636 C CD1 . LEU A 90 ? 0.7460 0.7101 0.7589 -0.0317 -0.0516 -0.0012 782 LEU A CD1 \n637 C CD2 . LEU A 90 ? 0.5959 0.5721 0.6179 -0.0289 -0.0445 -0.0016 782 LEU A CD2 \n638 N N . THR A 91 ? 0.7468 0.6851 0.7344 -0.0344 -0.0624 0.0019 783 THR A N \n639 C CA . THR A 91 ? 0.7666 0.6920 0.7401 -0.0387 -0.0675 0.0034 783 THR A CA \n640 C C . THR A 91 ? 0.7453 0.6729 0.7121 -0.0461 -0.0626 0.0046 783 THR A C \n641 O O . THR A 91 ? 0.8968 0.8296 0.8639 -0.0493 -0.0582 0.0044 783 THR A O \n642 C CB . THR A 91 ? 0.7592 0.6801 0.7327 -0.0347 -0.0709 0.0033 783 THR A CB \n643 O OG1 . THR A 91 ? 0.8318 0.7621 0.8118 -0.0336 -0.0651 0.0029 783 THR A OG1 \n644 C CG2 . THR A 91 ? 0.7956 0.7151 0.7768 -0.0269 -0.0752 0.0020 783 THR A CG2 \n645 N N . SER A 92 ? 0.8181 0.7420 0.7791 -0.0488 -0.0633 0.0057 784 SER A N \n646 C CA . SER A 92 ? 0.8307 0.7600 0.7893 -0.0549 -0.0580 0.0068 784 SER A CA \n647 C C . SER A 92 ? 0.8727 0.8166 0.8451 -0.0515 -0.0513 0.0055 784 SER A C \n648 O O . SER A 92 ? 0.9563 0.9082 0.9308 -0.0555 -0.0458 0.0059 784 SER A O \n649 C CB . SER A 92 ? 0.8791 0.7990 0.8272 -0.0591 -0.0618 0.0086 784 SER A CB \n650 O OG . SER A 92 ? 1.0234 0.9409 0.9749 -0.0533 -0.0650 0.0080 784 SER A OG \n651 N N . THR A 93 ? 0.7430 0.6904 0.7247 -0.0441 -0.0520 0.0041 785 THR A N \n652 C CA . THR A 93 ? 0.6585 0.6185 0.6529 -0.0403 -0.0463 0.0028 785 THR A CA \n653 C C . THR A 93 ? 0.6217 0.5874 0.6258 -0.0348 -0.0452 0.0012 785 THR A C \n654 O O . THR A 93 ? 0.6195 0.5790 0.6218 -0.0328 -0.0497 0.0010 785 THR A O \n655 C CB . THR A 93 ? 0.6707 0.6299 0.6675 -0.0363 -0.0474 0.0026 785 THR A CB \n656 O OG1 . THR A 93 ? 0.6428 0.5963 0.6407 -0.0302 -0.0518 0.0017 785 THR A OG1 \n657 C CG2 . THR A 93 ? 0.7795 0.7315 0.7663 -0.0414 -0.0498 0.0044 785 THR A CG2 \n658 N N . VAL A 94 ? 0.5854 0.5625 0.5998 -0.0327 -0.0397 0.0002 786 VAL A N \n659 C CA . VAL A 94 ? 0.4870 0.4702 0.5118 -0.0273 -0.0385 -0.0010 786 VAL A CA \n660 C C . VAL A 94 ? 0.4544 0.4397 0.4859 -0.0213 -0.0385 -0.0017 786 VAL A C \n661 O O . VAL A 94 ? 0.4946 0.4834 0.5278 -0.0211 -0.0357 -0.0017 786 VAL A O \n662 C CB . VAL A 94 ? 0.4730 0.4664 0.5045 -0.0281 -0.0327 -0.0018 786 VAL A CB \n663 C CG1 . VAL A 94 ? 0.6057 0.6046 0.6474 -0.0231 -0.0321 -0.0029 786 VAL A CG1 \n664 C CG2 . VAL A 94 ? 0.6032 0.5943 0.6272 -0.0338 -0.0320 -0.0014 786 VAL A CG2 \n665 N N . GLN A 95 ? 0.4584 0.4416 0.4940 -0.0164 -0.0415 -0.0023 787 GLN A N \n666 C CA . GLN A 95 ? 0.4419 0.4279 0.4847 -0.0103 -0.0406 -0.0032 787 GLN A CA \n667 C C . GLN A 95 ? 0.4876 0.4817 0.5422 -0.0061 -0.0385 -0.0041 787 GLN A C \n668 O O . GLN A 95 ? 0.4376 0.4302 0.4943 -0.0055 -0.0416 -0.0041 787 GLN A O \n669 C CB . GLN A 95 ? 0.4872 0.4634 0.5248 -0.0074 -0.0459 -0.0033 787 GLN A CB \n670 C CG . GLN A 95 ? 0.4922 0.4603 0.5186 -0.0106 -0.0478 -0.0024 787 GLN A CG \n671 C CD . GLN A 95 ? 0.5414 0.4986 0.5618 -0.0074 -0.0535 -0.0026 787 GLN A CD \n672 O OE1 . GLN A 95 ? 0.5364 0.4926 0.5583 -0.0028 -0.0529 -0.0035 787 GLN A OE1 \n673 N NE2 . GLN A 95 ? 0.5690 0.5172 0.5821 -0.0096 -0.0592 -0.0019 787 GLN A NE2 \n674 N N . LEU A 96 ? 0.4084 0.4104 0.4705 -0.0035 -0.0337 -0.0047 788 LEU A N \n675 C CA . LEU A 96 ? 0.4189 0.4292 0.4925 0.0000 -0.0311 -0.0053 788 LEU A CA \n676 C C . LEU A 96 ? 0.3588 0.3698 0.4380 0.0059 -0.0307 -0.0060 788 LEU A C \n677 O O . LEU A 96 ? 0.3879 0.3967 0.4640 0.0075 -0.0293 -0.0064 788 LEU A O \n678 C CB . LEU A 96 ? 0.3852 0.4036 0.4629 -0.0015 -0.0258 -0.0055 788 LEU A CB \n679 C CG . LEU A 96 ? 0.4145 0.4337 0.4876 -0.0069 -0.0248 -0.0052 788 LEU A CG \n680 C CD1 . LEU A 96 ? 0.4062 0.4335 0.4846 -0.0071 -0.0198 -0.0056 788 LEU A CD1 \n681 C CD2 . LEU A 96 ? 0.4478 0.4656 0.5206 -0.0085 -0.0273 -0.0050 788 LEU A CD2 \n682 N N . ILE A 97 ? 0.3539 0.3682 0.4418 0.0092 -0.0318 -0.0063 789 ILE A N \n683 C CA . ILE A 97 ? 0.3293 0.3447 0.4232 0.0151 -0.0311 -0.0071 789 ILE A CA \n684 C C . ILE A 97 ? 0.2834 0.3092 0.3895 0.0174 -0.0266 -0.0072 789 ILE A C \n685 O O . ILE A 97 ? 0.3709 0.4010 0.4826 0.0158 -0.0273 -0.0067 789 ILE A O \n686 C CB . ILE A 97 ? 0.3966 0.4059 0.4906 0.0178 -0.0371 -0.0072 789 ILE A CB \n687 C CG1 . ILE A 97 ? 0.4513 0.4488 0.5317 0.0155 -0.0416 -0.0070 789 ILE A CG1 \n688 C CG2 . ILE A 97 ? 0.4095 0.4218 0.5122 0.0246 -0.0357 -0.0083 789 ILE A CG2 \n689 C CD1 . ILE A 97 ? 0.4681 0.4609 0.5414 0.0096 -0.0455 -0.0059 789 ILE A CD1 \n690 N N . THR A 98 ? 0.2715 0.3003 0.3804 0.0209 -0.0222 -0.0079 790 THR A N \n691 C CA . THR A 98 ? 0.2916 0.3298 0.4109 0.0227 -0.0173 -0.0078 790 THR A CA \n692 C C . THR A 98 ? 0.3129 0.3524 0.4365 0.0283 -0.0142 -0.0088 790 THR A C \n693 O O . THR A 98 ? 0.3240 0.3564 0.4406 0.0308 -0.0151 -0.0096 790 THR A O \n694 C CB . THR A 98 ? 0.3272 0.3689 0.4444 0.0193 -0.0132 -0.0075 790 THR A CB \n695 O OG1 . THR A 98 ? 0.3717 0.4218 0.4986 0.0202 -0.0094 -0.0072 790 THR A OG1 \n696 C CG2 . THR A 98 ? 0.3465 0.3837 0.4556 0.0200 -0.0109 -0.0080 790 THR A CG2 \n697 N N . GLN A 99 ? 0.3274 0.3756 0.4620 0.0304 -0.0104 -0.0086 791 GLN A N \n698 C CA . GLN A 99 ? 0.3985 0.4489 0.5376 0.0357 -0.0063 -0.0096 791 GLN A CA \n699 C C . GLN A 99 ? 0.3728 0.4180 0.5017 0.0361 -0.0026 -0.0103 791 GLN A C \n700 O O . GLN A 99 ? 0.3690 0.4150 0.4939 0.0325 -0.0004 -0.0097 791 GLN A O \n701 C CB . GLN A 99 ? 0.3732 0.4343 0.5255 0.0367 -0.0021 -0.0089 791 GLN A CB \n702 C CG . GLN A 99 ? 0.4730 0.5375 0.6303 0.0419 0.0035 -0.0099 791 GLN A CG \n703 C CD . GLN A 99 ? 0.6244 0.7001 0.7950 0.0420 0.0079 -0.0089 791 GLN A CD \n704 O OE1 . GLN A 99 ? 0.5789 0.6593 0.7541 0.0380 0.0067 -0.0075 791 GLN A OE1 \n705 N NE2 . GLN A 99 ? 0.6961 0.7758 0.8724 0.0466 0.0132 -0.0097 791 GLN A NE2 \n706 N N . LEU A 100 ? 0.3403 0.3796 0.4645 0.0404 -0.0023 -0.0116 792 LEU A N \n707 C CA . LEU A 100 ? 0.3815 0.4147 0.4952 0.0410 0.0007 -0.0123 792 LEU A CA \n708 C C . LEU A 100 ? 0.4952 0.5346 0.6133 0.0422 0.0078 -0.0122 792 LEU A C \n709 O O . LEU A 100 ? 0.3776 0.4238 0.5059 0.0456 0.0112 -0.0126 792 LEU A O \n710 C CB . LEU A 100 ? 0.3286 0.3526 0.4351 0.0457 -0.0007 -0.0138 792 LEU A CB \n711 C CG . LEU A 100 ? 0.3904 0.4062 0.4846 0.0465 0.0017 -0.0145 792 LEU A CG \n712 C CD1 . LEU A 100 ? 0.3710 0.3815 0.4552 0.0404 -0.0016 -0.0133 792 LEU A CD1 \n713 C CD2 . LEU A 100 ? 0.3924 0.3992 0.4802 0.0522 0.0008 -0.0164 792 LEU A CD2 \n714 N N . MET A 101 ? 0.3887 0.4258 0.4994 0.0390 0.0098 -0.0118 793 MET A N \n715 C CA . MET A 101 ? 0.4374 0.4782 0.5495 0.0396 0.0161 -0.0117 793 MET A CA \n716 C C . MET A 101 ? 0.4038 0.4348 0.5036 0.0420 0.0180 -0.0128 793 MET A C \n717 O O . MET A 101 ? 0.3648 0.3892 0.4544 0.0390 0.0162 -0.0124 793 MET A O \n718 C CB . MET A 101 ? 0.3443 0.3889 0.4569 0.0344 0.0166 -0.0103 793 MET A CB \n719 C CG . MET A 101 ? 0.5458 0.5983 0.6684 0.0316 0.0145 -0.0092 793 MET A CG \n720 S SD . MET A 101 ? 0.6483 0.7117 0.7850 0.0333 0.0192 -0.0086 793 MET A SD \n721 C CE . MET A 101 ? 0.5493 0.6154 0.6950 0.0360 0.0150 -0.0089 793 MET A CE \n722 N N . PRO A 102 ? 0.4067 0.4365 0.5073 0.0476 0.0216 -0.0142 794 PRO A N \n723 C CA . PRO A 102 ? 0.3543 0.3727 0.4416 0.0503 0.0223 -0.0156 794 PRO A CA \n724 C C . PRO A 102 ? 0.3264 0.3414 0.4058 0.0494 0.0273 -0.0154 794 PRO A C \n725 O O . PRO A 102 ? 0.4113 0.4156 0.4780 0.0509 0.0272 -0.0163 794 PRO A O \n726 C CB . PRO A 102 ? 0.5040 0.5228 0.5959 0.0572 0.0246 -0.0174 794 PRO A CB \n727 C CG . PRO A 102 ? 0.5059 0.5383 0.6140 0.0577 0.0286 -0.0168 794 PRO A CG \n728 C CD . PRO A 102 ? 0.5088 0.5471 0.6225 0.0518 0.0246 -0.0148 794 PRO A CD \n729 N N . PHE A 103 ? 0.3433 0.3664 0.4292 0.0467 0.0310 -0.0142 795 PHE A N \n730 C CA . PHE A 103 ? 0.3946 0.4129 0.4713 0.0448 0.0343 -0.0138 795 PHE A CA \n731 C C . PHE A 103 ? 0.3683 0.3813 0.4371 0.0396 0.0291 -0.0127 795 PHE A C \n732 O O . PHE A 103 ? 0.4552 0.4619 0.5145 0.0380 0.0302 -0.0123 795 PHE A O \n733 C CB . PHE A 103 ? 0.4566 0.4837 0.5413 0.0439 0.0403 -0.0129 795 PHE A CB \n734 C CG . PHE A 103 ? 0.5572 0.5894 0.6490 0.0489 0.0466 -0.0140 795 PHE A CG \n735 C CD1 . PHE A 103 ? 0.6227 0.6676 0.7299 0.0487 0.0492 -0.0130 795 PHE A CD1 \n736 C CD2 . PHE A 103 ? 0.7015 0.7257 0.7848 0.0540 0.0497 -0.0159 795 PHE A CD2 \n737 C CE1 . PHE A 103 ? 0.8664 0.9173 0.9819 0.0532 0.0551 -0.0139 795 PHE A CE1 \n738 C CE2 . PHE A 103 ? 0.7734 0.8031 0.8642 0.0591 0.0560 -0.0171 795 PHE A CE2 \n739 C CZ . PHE A 103 ? 0.8085 0.8523 0.9161 0.0586 0.0588 -0.0161 795 PHE A CZ \n740 N N . GLY A 104 ? 0.3761 0.3917 0.4489 0.0371 0.0236 -0.0121 796 GLY A N \n741 C CA . GLY A 104 ? 0.4056 0.4165 0.4716 0.0324 0.0185 -0.0111 796 GLY A CA \n742 C C . GLY A 104 ? 0.3938 0.4113 0.4649 0.0280 0.0185 -0.0098 796 GLY A C \n743 O O . GLY A 104 ? 0.3608 0.3869 0.4414 0.0280 0.0215 -0.0094 796 GLY A O \n744 N N . CYS A 105 ? 0.3610 0.3744 0.4261 0.0243 0.0149 -0.0091 797 CYS A N \n745 C CA . CYS A 105 ? 0.3421 0.3614 0.4121 0.0206 0.0147 -0.0081 797 CYS A CA \n746 C C . CYS A 105 ? 0.3611 0.3783 0.4274 0.0204 0.0179 -0.0077 797 CYS A C \n747 O O . CYS A 105 ? 0.3583 0.3670 0.4150 0.0222 0.0196 -0.0081 797 CYS A O \n748 C CB . CYS A 105 ? 0.5173 0.5354 0.5852 0.0167 0.0096 -0.0075 797 CYS A CB \n749 S SG . CYS A 105 ? 0.7160 0.7223 0.7704 0.0157 0.0067 -0.0072 797 CYS A SG \n750 N N . LEU A 106 ? 0.4149 0.4386 0.4878 0.0182 0.0186 -0.0069 798 LEU A N \n751 C CA . LEU A 106 ? 0.4063 0.4280 0.4759 0.0174 0.0212 -0.0064 798 LEU A CA \n752 C C . LEU A 106 ? 0.3466 0.3595 0.4060 0.0155 0.0179 -0.0061 798 LEU A C \n753 O O . LEU A 106 ? 0.3853 0.3915 0.4369 0.0157 0.0196 -0.0059 798 LEU A O \n754 C CB . LEU A 106 ? 0.3199 0.3500 0.3987 0.0152 0.0218 -0.0056 798 LEU A CB \n755 C CG . LEU A 106 ? 0.3493 0.3778 0.4257 0.0144 0.0248 -0.0049 798 LEU A CG \n756 C CD1 . LEU A 106 ? 0.4080 0.4343 0.4812 0.0171 0.0306 -0.0050 798 LEU A CD1 \n757 C CD2 . LEU A 106 ? 0.3291 0.3657 0.4149 0.0124 0.0248 -0.0041 798 LEU A CD2 \n758 N N . LEU A 107 ? 0.3785 0.3911 0.4379 0.0135 0.0130 -0.0060 799 LEU A N \n759 C CA . LEU A 107 ? 0.3699 0.3747 0.4209 0.0114 0.0092 -0.0055 799 LEU A CA \n760 C C . LEU A 107 ? 0.4027 0.3960 0.4413 0.0135 0.0096 -0.0059 799 LEU A C \n761 O O . LEU A 107 ? 0.3910 0.3759 0.4204 0.0129 0.0090 -0.0055 799 LEU A O \n762 C CB . LEU A 107 ? 0.3957 0.4033 0.4501 0.0087 0.0043 -0.0052 799 LEU A CB \n763 C CG . LEU A 107 ? 0.3809 0.3812 0.4279 0.0063 -0.0002 -0.0044 799 LEU A CG \n764 C CD1 . LEU A 107 ? 0.4512 0.4507 0.4980 0.0050 -0.0009 -0.0039 799 LEU A CD1 \n765 C CD2 . LEU A 107 ? 0.4496 0.4535 0.5005 0.0034 -0.0044 -0.0040 799 LEU A CD2 \n766 N N . ASP A 108 ? 0.4040 0.3961 0.4416 0.0161 0.0105 -0.0067 800 ASP A N \n767 C CA . ASP A 108 ? 0.4402 0.4206 0.4654 0.0186 0.0109 -0.0074 800 ASP A CA \n768 C C . ASP A 108 ? 0.4029 0.3806 0.4241 0.0213 0.0168 -0.0079 800 ASP A C \n769 O O . ASP A 108 ? 0.4211 0.3876 0.4298 0.0222 0.0172 -0.0081 800 ASP A O \n770 C CB . ASP A 108 ? 0.4416 0.4208 0.4667 0.0211 0.0101 -0.0083 800 ASP A CB \n771 C CG . ASP A 108 ? 0.6607 0.6389 0.6853 0.0179 0.0039 -0.0076 800 ASP A CG \n772 O OD1 . ASP A 108 ? 0.7045 0.6852 0.7327 0.0188 0.0027 -0.0080 800 ASP A OD1 \n773 O OD2 . ASP A 108 ? 0.6367 0.6116 0.6575 0.0144 0.0001 -0.0066 800 ASP A OD2 \n774 N N . TYR A 109 ? 0.4114 0.3990 0.4430 0.0223 0.0213 -0.0079 801 TYR A N \n775 C CA . TYR A 109 ? 0.4642 0.4512 0.4939 0.0245 0.0278 -0.0082 801 TYR A CA \n776 C C . TYR A 109 ? 0.4581 0.4390 0.4798 0.0219 0.0280 -0.0073 801 TYR A C \n777 O O . TYR A 109 ? 0.4642 0.4361 0.4749 0.0235 0.0313 -0.0077 801 TYR A O \n778 C CB . TYR A 109 ? 0.3880 0.3878 0.4318 0.0252 0.0317 -0.0081 801 TYR A CB \n779 C CG . TYR A 109 ? 0.5007 0.5013 0.5441 0.0277 0.0390 -0.0084 801 TYR A CG \n780 C CD1 . TYR A 109 ? 0.4992 0.5000 0.5411 0.0253 0.0419 -0.0073 801 TYR A CD1 \n781 C CD2 . TYR A 109 ? 0.4948 0.4961 0.5395 0.0323 0.0432 -0.0098 801 TYR A CD2 \n782 C CE1 . TYR A 109 ? 0.5599 0.5617 0.6014 0.0271 0.0492 -0.0074 801 TYR A CE1 \n783 C CE2 . TYR A 109 ? 0.5858 0.5888 0.6311 0.0346 0.0507 -0.0101 801 TYR A CE2 \n784 C CZ . TYR A 109 ? 0.5949 0.5983 0.6384 0.0317 0.0539 -0.0088 801 TYR A CZ \n785 O OH . TYR A 109 ? 0.6514 0.6569 0.6953 0.0334 0.0617 -0.0089 801 TYR A OH \n786 N N . VAL A 110 ? 0.4315 0.4164 0.4580 0.0182 0.0243 -0.0061 802 VAL A N \n787 C CA . VAL A 110 ? 0.4178 0.3958 0.4365 0.0158 0.0232 -0.0052 802 VAL A CA \n788 C C . VAL A 110 ? 0.4576 0.4216 0.4616 0.0152 0.0191 -0.0051 802 VAL A C \n789 O O . VAL A 110 ? 0.4756 0.4302 0.4688 0.0146 0.0201 -0.0047 802 VAL A O \n790 C CB . VAL A 110 ? 0.4476 0.4329 0.4752 0.0124 0.0200 -0.0041 802 VAL A CB \n791 C CG1 . VAL A 110 ? 0.3984 0.3953 0.4382 0.0128 0.0240 -0.0040 802 VAL A CG1 \n792 C CG2 . VAL A 110 ? 0.3762 0.3643 0.4084 0.0106 0.0137 -0.0041 802 VAL A CG2 \n793 N N . ARG A 111 ? 0.4573 0.4196 0.4608 0.0149 0.0143 -0.0053 803 ARG A N \n794 C CA . ARG A 111 ? 0.4527 0.4016 0.4426 0.0142 0.0098 -0.0052 803 ARG A CA \n795 C C . ARG A 111 ? 0.4703 0.4081 0.4470 0.0178 0.0141 -0.0063 803 ARG A C \n796 O O . ARG A 111 ? 0.5044 0.4293 0.4670 0.0173 0.0130 -0.0061 803 ARG A O \n797 C CB . ARG A 111 ? 0.4974 0.4480 0.4906 0.0130 0.0043 -0.0051 803 ARG A CB \n798 C CG . ARG A 111 ? 0.5260 0.4836 0.5281 0.0091 -0.0007 -0.0039 803 ARG A CG \n799 C CD . ARG A 111 ? 0.4890 0.4510 0.4965 0.0077 -0.0045 -0.0038 803 ARG A CD \n800 N NE . ARG A 111 ? 0.4054 0.3742 0.4213 0.0040 -0.0089 -0.0028 803 ARG A NE \n801 C CZ . ARG A 111 ? 0.5389 0.5119 0.5596 0.0018 -0.0124 -0.0023 803 ARG A CZ \n802 N NH1 . ARG A 111 ? 0.5208 0.4913 0.5384 0.0027 -0.0127 -0.0027 803 ARG A NH1 \n803 N NH2 . ARG A 111 ? 0.4661 0.4458 0.4949 -0.0013 -0.0157 -0.0015 803 ARG A NH2 \n804 N N . GLU A 112 ? 0.5156 0.4585 0.4970 0.0215 0.0190 -0.0076 804 GLU A N \n805 C CA . GLU A 112 ? 0.5553 0.4889 0.5255 0.0258 0.0237 -0.0091 804 GLU A CA \n806 C C . GLU A 112 ? 0.6571 0.5881 0.6220 0.0267 0.0306 -0.0092 804 GLU A C \n807 O O . GLU A 112 ? 0.5822 0.5000 0.5318 0.0284 0.0329 -0.0099 804 GLU A O \n808 C CB . GLU A 112 ? 0.5509 0.4913 0.5291 0.0298 0.0263 -0.0106 804 GLU A CB \n809 C CG . GLU A 112 ? 0.7811 0.7131 0.7497 0.0351 0.0315 -0.0125 804 GLU A CG \n810 C CD . GLU A 112 ? 1.0209 0.9387 0.9757 0.0363 0.0266 -0.0133 804 GLU A CD \n811 O OE1 . GLU A 112 ? 1.0297 0.9415 0.9790 0.0324 0.0194 -0.0120 804 GLU A OE1 \n812 O OE2 . GLU A 112 ? 1.2961 1.2086 1.2455 0.0413 0.0297 -0.0153 804 GLU A OE2 \n813 N N . HIS A 113 ? 0.5199 0.4626 0.4966 0.0254 0.0340 -0.0085 805 HIS A N \n814 C CA . HIS A 113 ? 0.5767 0.5193 0.5508 0.0261 0.0414 -0.0084 805 HIS A CA \n815 C C . HIS A 113 ? 0.5795 0.5185 0.5490 0.0218 0.0399 -0.0067 805 HIS A C \n816 O O . HIS A 113 ? 0.6858 0.6267 0.6553 0.0213 0.0457 -0.0062 805 HIS A O \n817 C CB . HIS A 113 ? 0.5816 0.5393 0.5716 0.0280 0.0473 -0.0087 805 HIS A CB \n818 C CG . HIS A 113 ? 0.6849 0.6450 0.6785 0.0329 0.0495 -0.0105 805 HIS A CG \n819 N ND1 . HIS A 113 ? 0.7015 0.6694 0.7060 0.0334 0.0453 -0.0108 805 HIS A ND1 \n820 C CD2 . HIS A 113 ? 0.7209 0.6756 0.7076 0.0376 0.0551 -0.0123 805 HIS A CD2 \n821 C CE1 . HIS A 113 ? 0.7756 0.7428 0.7802 0.0382 0.0478 -0.0125 805 HIS A CE1 \n822 N NE2 . HIS A 113 ? 0.8042 0.7638 0.7986 0.0410 0.0539 -0.0136 805 HIS A NE2 \n823 N N . LYS A 114 ? 0.6002 0.5337 0.5659 0.0187 0.0321 -0.0057 806 LYS A N \n824 C CA . LYS A 114 ? 0.6080 0.5379 0.5702 0.0147 0.0292 -0.0042 806 LYS A CA \n825 C C . LYS A 114 ? 0.7608 0.6818 0.7108 0.0144 0.0349 -0.0038 806 LYS A C \n826 O O . LYS A 114 ? 0.7233 0.6492 0.6778 0.0123 0.0372 -0.0027 806 LYS A O \n827 C CB . LYS A 114 ? 0.5873 0.5082 0.5427 0.0123 0.0202 -0.0035 806 LYS A CB \n828 C CG . LYS A 114 ? 0.7904 0.7055 0.7408 0.0086 0.0163 -0.0020 806 LYS A CG \n829 C CD . LYS A 114 ? 0.8675 0.7736 0.8116 0.0063 0.0072 -0.0012 806 LYS A CD \n830 C CE . LYS A 114 ? 0.8782 0.7789 0.8185 0.0030 0.0031 0.0001 806 LYS A CE \n831 N NZ . LYS A 114 ? 0.8261 0.7127 0.7543 0.0011 -0.0048 0.0010 806 LYS A NZ \n832 N N . ASP A 115 ? 0.7263 0.6340 0.6603 0.0165 0.0373 -0.0048 807 ASP A N \n833 C CA . ASP A 115 ? 0.7804 0.6772 0.6997 0.0161 0.0427 -0.0045 807 ASP A CA \n834 C C . ASP A 115 ? 0.8540 0.7601 0.7799 0.0176 0.0530 -0.0048 807 ASP A C \n835 O O . ASP A 115 ? 0.7816 0.6802 0.6964 0.0167 0.0585 -0.0044 807 ASP A O \n836 C CB . ASP A 115 ? 0.8687 0.7477 0.7680 0.0182 0.0425 -0.0057 807 ASP A CB \n837 C CG . ASP A 115 ? 1.0147 0.8829 0.9061 0.0159 0.0319 -0.0050 807 ASP A CG \n838 O OD1 . ASP A 115 ? 0.9490 0.8207 0.8468 0.0121 0.0255 -0.0033 807 ASP A OD1 \n839 O OD2 . ASP A 115 ? 1.0384 0.8947 0.9173 0.0178 0.0300 -0.0060 807 ASP A OD2 \n840 N N . ASN A 116 ? 0.6258 0.5480 0.5695 0.0196 0.0555 -0.0054 808 ASN A N \n841 C CA . ASN A 116 ? 0.7510 0.6839 0.7038 0.0209 0.0647 -0.0054 808 ASN A CA \n842 C C . ASN A 116 ? 0.6852 0.6342 0.6568 0.0185 0.0639 -0.0041 808 ASN A C \n843 O O . ASN A 116 ? 0.6441 0.6033 0.6254 0.0191 0.0706 -0.0038 808 ASN A O \n844 C CB . ASN A 116 ? 0.6487 0.5854 0.6049 0.0265 0.0703 -0.0076 808 ASN A CB \n845 C CG . ASN A 116 ? 0.8406 0.7616 0.7774 0.0294 0.0744 -0.0091 808 ASN A CG \n846 O OD1 . ASN A 116 ? 0.9816 0.8953 0.9072 0.0282 0.0800 -0.0087 808 ASN A OD1 \n847 N ND2 . ASN A 116 ? 0.8244 0.7393 0.7563 0.0330 0.0715 -0.0109 808 ASN A ND2 \n848 N N . ILE A 117 ? 0.6391 0.5902 0.6160 0.0158 0.0556 -0.0032 809 ILE A N \n849 C CA . ILE A 117 ? 0.5335 0.4983 0.5269 0.0136 0.0539 -0.0021 809 ILE A CA \n850 C C . ILE A 117 ? 0.5969 0.5588 0.5868 0.0093 0.0532 -0.0002 809 ILE A C \n851 O O . ILE A 117 ? 0.5430 0.4950 0.5235 0.0069 0.0474 0.0003 809 ILE A O \n852 C CB . ILE A 117 ? 0.5302 0.5001 0.5324 0.0134 0.0460 -0.0024 809 ILE A CB \n853 C CG1 . ILE A 117 ? 0.4537 0.4281 0.4612 0.0173 0.0468 -0.0040 809 ILE A CG1 \n854 C CG2 . ILE A 117 ? 0.4892 0.4707 0.5056 0.0108 0.0437 -0.0013 809 ILE A CG2 \n855 C CD1 . ILE A 117 ? 0.4454 0.4207 0.4564 0.0169 0.0391 -0.0044 809 ILE A CD1 \n856 N N . GLY A 118 ? 0.5449 0.5155 0.5429 0.0081 0.0587 0.0007 810 GLY A N \n857 C CA . GLY A 118 ? 0.5873 0.5558 0.5829 0.0037 0.0583 0.0026 810 GLY A CA \n858 C C . GLY A 118 ? 0.5178 0.4959 0.5269 0.0015 0.0529 0.0035 810 GLY A C \n859 O O . GLY A 118 ? 0.5092 0.4971 0.5308 0.0032 0.0504 0.0027 810 GLY A O \n860 N N . SER A 119 ? 0.4714 0.4457 0.4770 -0.0023 0.0510 0.0052 811 SER A N \n861 C CA . SER A 119 ? 0.5029 0.4838 0.5189 -0.0043 0.0453 0.0059 811 SER A CA \n862 C C . SER A 119 ? 0.5052 0.5011 0.5379 -0.0038 0.0480 0.0060 811 SER A C \n863 O O . SER A 119 ? 0.4350 0.4377 0.4779 -0.0037 0.0431 0.0056 811 SER A O \n864 C CB . SER A 119 ? 0.5489 0.5218 0.5569 -0.0084 0.0431 0.0076 811 SER A CB \n865 O OG . SER A 119 ? 0.5924 0.5636 0.5952 -0.0103 0.0506 0.0090 811 SER A OG \n866 N N . GLN A 120 ? 0.4439 0.4446 0.4793 -0.0036 0.0559 0.0066 812 GLN A N \n867 C CA . GLN A 120 ? 0.4489 0.4637 0.5003 -0.0035 0.0585 0.0071 812 GLN A CA \n868 C C . GLN A 120 ? 0.4343 0.4570 0.4962 0.0000 0.0561 0.0054 812 GLN A C \n869 O O . GLN A 120 ? 0.3946 0.4263 0.4687 -0.0004 0.0531 0.0056 812 GLN A O \n870 C CB . GLN A 120 ? 0.5184 0.5369 0.5708 -0.0035 0.0678 0.0080 812 GLN A CB \n871 C CG . GLN A 120 ? 0.4949 0.5279 0.5644 -0.0042 0.0703 0.0090 812 GLN A CG \n872 C CD . GLN A 120 ? 0.5588 0.5933 0.6318 -0.0091 0.0671 0.0112 812 GLN A CD \n873 O OE1 . GLN A 120 ? 0.5296 0.5608 0.5971 -0.0127 0.0707 0.0132 812 GLN A OE1 \n874 N NE2 . GLN A 120 ? 0.4927 0.5318 0.5741 -0.0092 0.0604 0.0109 812 GLN A NE2 \n875 N N . TYR A 121 ? 0.3846 0.4033 0.4409 0.0035 0.0573 0.0038 813 TYR A N \n876 C CA . TYR A 121 ? 0.3790 0.4039 0.4437 0.0067 0.0550 0.0022 813 TYR A CA \n877 C C . TYR A 121 ? 0.3641 0.3887 0.4309 0.0058 0.0469 0.0018 813 TYR A C \n878 O O . TYR A 121 ? 0.3389 0.3720 0.4168 0.0064 0.0445 0.0014 813 TYR A O \n879 C CB . TYR A 121 ? 0.4580 0.4766 0.5143 0.0105 0.0575 0.0005 813 TYR A CB \n880 C CG . TYR A 121 ? 0.6258 0.6496 0.6862 0.0132 0.0655 0.0002 813 TYR A CG \n881 C CD1 . TYR A 121 ? 0.6517 0.6852 0.7245 0.0164 0.0662 -0.0007 813 TYR A CD1 \n882 C CD2 . TYR A 121 ? 0.6474 0.6665 0.6996 0.0126 0.0724 0.0008 813 TYR A CD2 \n883 C CE1 . TYR A 121 ? 0.8278 0.8668 0.9058 0.0193 0.0734 -0.0011 813 TYR A CE1 \n884 C CE2 . TYR A 121 ? 0.7789 0.8038 0.8360 0.0153 0.0804 0.0004 813 TYR A CE2 \n885 C CZ . TYR A 121 ? 0.8693 0.9046 0.9400 0.0189 0.0808 -0.0006 813 TYR A CZ \n886 O OH . TYR A 121 ? 0.9235 0.9653 1.0004 0.0220 0.0886 -0.0012 813 TYR A OH \n887 N N . LEU A 122 ? 0.4396 0.4543 0.4958 0.0043 0.0428 0.0018 814 LEU A N \n888 C CA . LEU A 122 ? 0.3665 0.3811 0.4249 0.0036 0.0356 0.0013 814 LEU A CA \n889 C C . LEU A 122 ? 0.4173 0.4395 0.4860 0.0016 0.0331 0.0020 814 LEU A C \n890 O O . LEU A 122 ? 0.3781 0.4062 0.4547 0.0021 0.0296 0.0012 814 LEU A O \n891 C CB . LEU A 122 ? 0.4188 0.4216 0.4649 0.0021 0.0314 0.0015 814 LEU A CB \n892 C CG . LEU A 122 ? 0.4067 0.4004 0.4418 0.0040 0.0312 0.0007 814 LEU A CG \n893 C CD1 . LEU A 122 ? 0.3933 0.3736 0.4142 0.0021 0.0289 0.0014 814 LEU A CD1 \n894 C CD2 . LEU A 122 ? 0.3891 0.3859 0.4291 0.0052 0.0264 -0.0004 814 LEU A CD2 \n895 N N . LEU A 123 ? 0.3817 0.4032 0.4495 -0.0008 0.0350 0.0035 815 LEU A N \n896 C CA . LEU A 123 ? 0.3759 0.4034 0.4524 -0.0028 0.0326 0.0042 815 LEU A CA \n897 C C . LEU A 123 ? 0.3215 0.3603 0.4107 -0.0019 0.0347 0.0042 815 LEU A C \n898 O O . LEU A 123 ? 0.2829 0.3269 0.3800 -0.0023 0.0310 0.0039 815 LEU A O \n899 C CB . LEU A 123 ? 0.3465 0.3691 0.4177 -0.0061 0.0335 0.0060 815 LEU A CB \n900 C CG . LEU A 123 ? 0.4061 0.4170 0.4656 -0.0074 0.0292 0.0061 815 LEU A CG \n901 C CD1 . LEU A 123 ? 0.4393 0.4437 0.4911 -0.0108 0.0312 0.0081 815 LEU A CD1 \n902 C CD2 . LEU A 123 ? 0.4524 0.4642 0.5162 -0.0073 0.0220 0.0052 815 LEU A CD2 \n903 N N . ASN A 124 ? 0.3434 0.3856 0.4348 -0.0006 0.0405 0.0045 816 ASN A N \n904 C CA . ASN A 124 ? 0.3484 0.4013 0.4525 0.0005 0.0420 0.0044 816 ASN A CA \n905 C C . ASN A 124 ? 0.3058 0.3612 0.4138 0.0029 0.0380 0.0027 816 ASN A C \n906 O O . ASN A 124 ? 0.3020 0.3639 0.4190 0.0027 0.0355 0.0026 816 ASN A O \n907 C CB . ASN A 124 ? 0.3402 0.3966 0.4466 0.0021 0.0491 0.0048 816 ASN A CB \n908 C CG . ASN A 124 ? 0.4751 0.5329 0.5821 -0.0009 0.0537 0.0069 816 ASN A CG \n909 O OD1 . ASN A 124 ? 0.5089 0.5652 0.6152 -0.0044 0.0510 0.0083 816 ASN A OD1 \n910 N ND2 . ASN A 124 ? 0.5045 0.5652 0.6127 0.0004 0.0607 0.0072 816 ASN A ND2 \n911 N N . TRP A 125 ? 0.3493 0.3987 0.4495 0.0049 0.0370 0.0014 817 TRP A N \n912 C CA . TRP A 125 ? 0.3803 0.4316 0.4835 0.0064 0.0330 0.0000 817 TRP A CA \n913 C C . TRP A 125 ? 0.3072 0.3602 0.4139 0.0045 0.0278 0.0000 817 TRP A C \n914 O O . TRP A 125 ? 0.2947 0.3528 0.4079 0.0050 0.0255 -0.0007 817 TRP A O \n915 C CB . TRP A 125 ? 0.4000 0.4440 0.4940 0.0082 0.0322 -0.0010 817 TRP A CB \n916 C CG . TRP A 125 ? 0.4051 0.4471 0.4957 0.0110 0.0372 -0.0014 817 TRP A CG \n917 C CD1 . TRP A 125 ? 0.4358 0.4846 0.5342 0.0128 0.0414 -0.0013 817 TRP A CD1 \n918 C CD2 . TRP A 125 ? 0.3837 0.4162 0.4623 0.0123 0.0385 -0.0020 817 TRP A CD2 \n919 N NE1 . TRP A 125 ? 0.3879 0.4321 0.4799 0.0157 0.0456 -0.0021 817 TRP A NE1 \n920 C CE2 . TRP A 125 ? 0.4976 0.5312 0.5766 0.0153 0.0439 -0.0025 817 TRP A CE2 \n921 C CE3 . TRP A 125 ? 0.4140 0.4367 0.4814 0.0113 0.0352 -0.0021 817 TRP A CE3 \n922 C CZ2 . TRP A 125 ? 0.4287 0.4532 0.4962 0.0175 0.0466 -0.0033 817 TRP A CZ2 \n923 C CZ3 . TRP A 125 ? 0.4509 0.4642 0.5066 0.0130 0.0373 -0.0027 817 TRP A CZ3 \n924 C CH2 . TRP A 125 ? 0.4765 0.4904 0.5318 0.0162 0.0431 -0.0034 817 TRP A CH2 \n925 N N . CYS A 126 ? 0.3464 0.3947 0.4482 0.0025 0.0259 0.0003 818 CYS A N \n926 C CA . CYS A 126 ? 0.3069 0.3563 0.4116 0.0013 0.0211 0.0000 818 CYS A CA \n927 C C . CYS A 126 ? 0.2921 0.3482 0.4057 0.0003 0.0208 0.0004 818 CYS A C \n928 O O . CYS A 126 ? 0.2523 0.3117 0.3705 0.0003 0.0177 -0.0004 818 CYS A O \n929 C CB . CYS A 126 ? 0.3421 0.3845 0.4399 -0.0002 0.0189 0.0004 818 CYS A CB \n930 S SG . CYS A 126 ? 0.3710 0.4046 0.4582 0.0006 0.0172 -0.0001 818 CYS A SG \n931 N N . VAL A 127 ? 0.3164 0.3745 0.4322 -0.0007 0.0243 0.0019 819 VAL A N \n932 C CA . VAL A 127 ? 0.2773 0.3416 0.4019 -0.0020 0.0239 0.0028 819 VAL A CA \n933 C C . VAL A 127 ? 0.2173 0.2877 0.3490 -0.0003 0.0235 0.0020 819 VAL A C \n934 O O . VAL A 127 ? 0.2825 0.3557 0.4190 -0.0008 0.0203 0.0016 819 VAL A O \n935 C CB . VAL A 127 ? 0.3231 0.3894 0.4498 -0.0039 0.0281 0.0049 819 VAL A CB \n936 C CG1 . VAL A 127 ? 0.3507 0.4240 0.4876 -0.0053 0.0271 0.0059 819 VAL A CG1 \n937 C CG2 . VAL A 127 ? 0.3588 0.4182 0.4779 -0.0064 0.0276 0.0060 819 VAL A CG2 \n938 N N . GLN A 128 ? 0.2513 0.3228 0.3831 0.0017 0.0268 0.0018 820 GLN A N \n939 C CA . GLN A 128 ? 0.2343 0.3107 0.3724 0.0036 0.0263 0.0011 820 GLN A CA \n940 C C . GLN A 128 ? 0.2965 0.3717 0.4333 0.0041 0.0219 -0.0003 820 GLN A C \n941 O O . GLN A 128 ? 0.2587 0.3376 0.4011 0.0040 0.0197 -0.0005 820 GLN A O \n942 C CB . GLN A 128 ? 0.3116 0.3877 0.4483 0.0063 0.0303 0.0008 820 GLN A CB \n943 C CG . GLN A 128 ? 0.3014 0.3815 0.4428 0.0061 0.0354 0.0022 820 GLN A CG \n944 C CD . GLN A 128 ? 0.4360 0.5151 0.5750 0.0092 0.0401 0.0016 820 GLN A CD \n945 O OE1 . GLN A 128 ? 0.4226 0.4990 0.5583 0.0119 0.0390 0.0001 820 GLN A OE1 \n946 N NE2 . GLN A 128 ? 0.4222 0.5032 0.5624 0.0089 0.0458 0.0027 820 GLN A NE2 \n947 N N . ILE A 129 ? 0.2745 0.3444 0.4037 0.0043 0.0208 -0.0012 821 ILE A N \n948 C CA . ILE A 129 ? 0.2781 0.3473 0.4062 0.0043 0.0171 -0.0025 821 ILE A CA \n949 C C . ILE A 129 ? 0.2023 0.2736 0.3339 0.0027 0.0142 -0.0027 821 ILE A C \n950 O O . ILE A 129 ? 0.2201 0.2936 0.3545 0.0026 0.0121 -0.0034 821 ILE A O \n951 C CB . ILE A 129 ? 0.3011 0.3648 0.4214 0.0047 0.0162 -0.0033 821 ILE A CB \n952 C CG1 . ILE A 129 ? 0.2612 0.3216 0.3769 0.0065 0.0184 -0.0033 821 ILE A CG1 \n953 C CG2 . ILE A 129 ? 0.2427 0.3072 0.3634 0.0041 0.0127 -0.0044 821 ILE A CG2 \n954 C CD1 . ILE A 129 ? 0.2546 0.3081 0.3614 0.0065 0.0177 -0.0036 821 ILE A CD1 \n955 N N . ALA A 130 ? 0.2263 0.2961 0.3571 0.0013 0.0141 -0.0020 822 ALA A N \n956 C CA . ALA A 130 ? 0.2648 0.3356 0.3983 0.0001 0.0114 -0.0023 822 ALA A CA \n957 C C . ALA A 130 ? 0.2176 0.2927 0.3577 -0.0005 0.0110 -0.0015 822 ALA A C \n958 O O . ALA A 130 ? 0.2110 0.2869 0.3528 -0.0010 0.0083 -0.0023 822 ALA A O \n959 C CB . ALA A 130 ? 0.3410 0.4080 0.4714 -0.0011 0.0108 -0.0016 822 ALA A CB \n960 N N . LYS A 131 ? 0.2165 0.2944 0.3604 -0.0005 0.0136 -0.0001 823 LYS A N \n961 C CA . LYS A 131 ? 0.2365 0.3187 0.3876 -0.0012 0.0124 0.0006 823 LYS A CA \n962 C C . LYS A 131 ? 0.2161 0.2993 0.3682 0.0000 0.0104 -0.0006 823 LYS A C \n963 O O . LYS A 131 ? 0.2511 0.3350 0.4057 -0.0009 0.0074 -0.0007 823 LYS A O \n964 C CB . LYS A 131 ? 0.2041 0.2903 0.3607 -0.0013 0.0159 0.0023 823 LYS A CB \n965 C CG . LYS A 131 ? 0.2813 0.3670 0.4377 -0.0035 0.0178 0.0041 823 LYS A CG \n966 C CD . LYS A 131 ? 0.3170 0.4080 0.4799 -0.0036 0.0221 0.0058 823 LYS A CD \n967 C CE . LYS A 131 ? 0.3869 0.4766 0.5481 -0.0065 0.0244 0.0077 823 LYS A CE \n968 N NZ . LYS A 131 ? 0.3992 0.4952 0.5680 -0.0073 0.0289 0.0096 823 LYS A NZ \n969 N N . GLY A 132 ? 0.2438 0.3263 0.3933 0.0018 0.0118 -0.0013 824 GLY A N \n970 C CA . GLY A 132 ? 0.2949 0.3773 0.4442 0.0027 0.0097 -0.0023 824 GLY A CA \n971 C C . GLY A 132 ? 0.2556 0.3358 0.4010 0.0017 0.0070 -0.0037 824 GLY A C \n972 O O . GLY A 132 ? 0.2320 0.3121 0.3780 0.0012 0.0045 -0.0042 824 GLY A O \n973 N N . MET A 133 ? 0.2756 0.3535 0.4168 0.0014 0.0074 -0.0044 825 MET A N \n974 C CA . MET A 133 ? 0.2415 0.3182 0.3800 0.0008 0.0054 -0.0058 825 MET A CA \n975 C C . MET A 133 ? 0.2200 0.2969 0.3609 -0.0002 0.0034 -0.0059 825 MET A C \n976 O O . MET A 133 ? 0.2570 0.3332 0.3967 -0.0006 0.0016 -0.0069 825 MET A O \n977 C CB . MET A 133 ? 0.2697 0.3444 0.4045 0.0011 0.0059 -0.0065 825 MET A CB \n978 C CG . MET A 133 ? 0.2882 0.3616 0.4196 0.0018 0.0070 -0.0066 825 MET A CG \n979 S SD . MET A 133 ? 0.2980 0.3717 0.4276 0.0016 0.0059 -0.0075 825 MET A SD \n980 C CE . MET A 133 ? 0.2782 0.3528 0.4072 0.0007 0.0047 -0.0091 825 MET A CE \n981 N N . ASN A 134 ? 0.2729 0.3501 0.4164 -0.0009 0.0036 -0.0046 826 ASN A N \n982 C CA . ASN A 134 ? 0.2637 0.3402 0.4089 -0.0022 0.0011 -0.0043 826 ASN A CA \n983 C C . ASN A 134 ? 0.2311 0.3089 0.3793 -0.0028 -0.0006 -0.0039 826 ASN A C \n984 O O . ASN A 134 ? 0.2049 0.2805 0.3518 -0.0036 -0.0033 -0.0046 826 ASN A O \n985 C CB . ASN A 134 ? 0.2552 0.3316 0.4025 -0.0035 0.0015 -0.0026 826 ASN A CB \n986 C CG . ASN A 134 ? 0.2872 0.3618 0.4355 -0.0050 -0.0016 -0.0023 826 ASN A CG \n987 O OD1 . ASN A 134 ? 0.2790 0.3502 0.4236 -0.0048 -0.0035 -0.0039 826 ASN A OD1 \n988 N ND2 . ASN A 134 ? 0.3161 0.3930 0.4697 -0.0067 -0.0022 -0.0003 826 ASN A ND2 \n989 N N . TYR A 135 ? 0.3105 0.3910 0.4622 -0.0022 0.0005 -0.0029 827 TYR A N \n990 C CA . TYR A 135 ? 0.3005 0.3817 0.4551 -0.0024 -0.0018 -0.0025 827 TYR A CA \n991 C C . TYR A 135 ? 0.3095 0.3877 0.4586 -0.0023 -0.0034 -0.0042 827 TYR A C \n992 O O . TYR A 135 ? 0.2580 0.3339 0.4059 -0.0033 -0.0064 -0.0045 827 TYR A O \n993 C CB . TYR A 135 ? 0.2700 0.3548 0.4300 -0.0012 -0.0002 -0.0013 827 TYR A CB \n994 C CG . TYR A 135 ? 0.2522 0.3374 0.4155 -0.0012 -0.0034 -0.0009 827 TYR A CG \n995 C CD1 . TYR A 135 ? 0.2716 0.3591 0.4421 -0.0025 -0.0058 0.0007 827 TYR A CD1 \n996 C CD2 . TYR A 135 ? 0.2559 0.3387 0.4152 -0.0003 -0.0044 -0.0020 827 TYR A CD2 \n997 C CE1 . TYR A 135 ? 0.2225 0.3097 0.3960 -0.0025 -0.0096 0.0010 827 TYR A CE1 \n998 C CE2 . TYR A 135 ? 0.2327 0.3144 0.3938 -0.0004 -0.0080 -0.0017 827 TYR A CE2 \n999 C CZ . TYR A 135 ? 0.2952 0.3792 0.4638 -0.0014 -0.0107 -0.0001 827 TYR A CZ \n1000 O OH . TYR A 135 ? 0.2765 0.3587 0.4465 -0.0015 -0.0149 0.0002 827 TYR A OH \n1001 N N . LEU A 136 ? 0.2850 0.3626 0.4299 -0.0013 -0.0014 -0.0054 828 LEU A N \n1002 C CA . LEU A 136 ? 0.3200 0.3949 0.4593 -0.0017 -0.0024 -0.0069 828 LEU A CA \n1003 C C . LEU A 136 ? 0.2565 0.3293 0.3928 -0.0026 -0.0035 -0.0082 828 LEU A C \n1004 O O . LEU A 136 ? 0.2420 0.3121 0.3745 -0.0035 -0.0050 -0.0091 828 LEU A O \n1005 C CB . LEU A 136 ? 0.2383 0.3133 0.3743 -0.0009 -0.0003 -0.0076 828 LEU A CB \n1006 C CG . LEU A 136 ? 0.2675 0.3429 0.4044 0.0001 0.0003 -0.0067 828 LEU A CG \n1007 C CD1 . LEU A 136 ? 0.3675 0.4418 0.5000 0.0006 0.0018 -0.0074 828 LEU A CD1 \n1008 C CD2 . LEU A 136 ? 0.3425 0.4162 0.4790 -0.0001 -0.0022 -0.0065 828 LEU A CD2 \n1009 N N . GLU A 137 ? 0.2623 0.3355 0.3995 -0.0023 -0.0028 -0.0084 829 GLU A N \n1010 C CA . GLU A 137 ? 0.2497 0.3204 0.3839 -0.0026 -0.0038 -0.0099 829 GLU A CA \n1011 C C . GLU A 137 ? 0.2903 0.3582 0.4246 -0.0038 -0.0070 -0.0093 829 GLU A C \n1012 O O . GLU A 137 ? 0.2719 0.3362 0.4016 -0.0043 -0.0083 -0.0107 829 GLU A O \n1013 C CB . GLU A 137 ? 0.2417 0.3127 0.3766 -0.0018 -0.0029 -0.0103 829 GLU A CB \n1014 C CG . GLU A 137 ? 0.3239 0.3920 0.4559 -0.0013 -0.0041 -0.0121 829 GLU A CG \n1015 C CD . GLU A 137 ? 0.3011 0.3689 0.4336 -0.0002 -0.0038 -0.0127 829 GLU A CD \n1016 O OE1 . GLU A 137 ? 0.3522 0.4214 0.4866 -0.0001 -0.0029 -0.0114 829 GLU A OE1 \n1017 O OE2 . GLU A 137 ? 0.2614 0.3266 0.3918 0.0006 -0.0049 -0.0144 829 GLU A OE2 \n1018 N N . ASP A 138 ? 0.2938 0.3631 0.4331 -0.0046 -0.0082 -0.0072 830 ASP A N \n1019 C CA . ASP A 138 ? 0.3482 0.4150 0.4885 -0.0061 -0.0120 -0.0063 830 ASP A CA \n1020 C C . ASP A 138 ? 0.3156 0.3800 0.4526 -0.0065 -0.0138 -0.0067 830 ASP A C \n1021 O O . ASP A 138 ? 0.3396 0.3992 0.4729 -0.0077 -0.0169 -0.0071 830 ASP A O \n1022 C CB . ASP A 138 ? 0.3161 0.3864 0.4643 -0.0069 -0.0127 -0.0037 830 ASP A CB \n1023 C CG . ASP A 138 ? 0.3517 0.4220 0.5013 -0.0076 -0.0123 -0.0029 830 ASP A CG \n1024 O OD1 . ASP A 138 ? 0.3534 0.4276 0.5086 -0.0080 -0.0106 -0.0011 830 ASP A OD1 \n1025 O OD2 . ASP A 138 ? 0.3670 0.4331 0.5118 -0.0077 -0.0135 -0.0042 830 ASP A OD2 \n1026 N N . ARG A 139 ? 0.2447 0.3112 0.3820 -0.0057 -0.0120 -0.0067 831 ARG A N \n1027 C CA . ARG A 139 ? 0.2861 0.3495 0.4191 -0.0063 -0.0137 -0.0072 831 ARG A CA \n1028 C C . ARG A 139 ? 0.3278 0.3880 0.4524 -0.0066 -0.0122 -0.0094 831 ARG A C \n1029 O O . ARG A 139 ? 0.3677 0.4246 0.4871 -0.0076 -0.0132 -0.0099 831 ARG A O \n1030 C CB . ARG A 139 ? 0.3281 0.3942 0.4641 -0.0053 -0.0129 -0.0063 831 ARG A CB \n1031 C CG . ARG A 139 ? 0.5493 0.6181 0.6935 -0.0049 -0.0150 -0.0043 831 ARG A CG \n1032 C CD . ARG A 139 ? 0.6223 0.6872 0.7664 -0.0066 -0.0200 -0.0036 831 ARG A CD \n1033 N NE . ARG A 139 ? 0.7011 0.7682 0.8531 -0.0064 -0.0231 -0.0017 831 ARG A NE \n1034 C CZ . ARG A 139 ? 0.6608 0.7280 0.8142 -0.0051 -0.0242 -0.0015 831 ARG A CZ \n1035 N NH1 . ARG A 139 ? 0.4717 0.5413 0.6335 -0.0046 -0.0273 0.0000 831 ARG A NH1 \n1036 N NH2 . ARG A 139 ? 0.8824 0.9473 1.0291 -0.0044 -0.0223 -0.0028 831 ARG A NH2 \n1037 N N . ARG A 140 ? 0.3438 0.4049 0.4673 -0.0059 -0.0099 -0.0108 832 ARG A N \n1038 C CA . ARG A 140 ? 0.2688 0.3284 0.3860 -0.0060 -0.0077 -0.0130 832 ARG A CA \n1039 C C . ARG A 140 ? 0.2808 0.3420 0.3960 -0.0063 -0.0057 -0.0132 832 ARG A C \n1040 O O . ARG A 140 ? 0.4504 0.5093 0.5596 -0.0075 -0.0049 -0.0143 832 ARG A O \n1041 C CB . ARG A 140 ? 0.2841 0.3375 0.3945 -0.0071 -0.0098 -0.0141 832 ARG A CB \n1042 C CG . ARG A 140 ? 0.4358 0.4866 0.5476 -0.0069 -0.0124 -0.0139 832 ARG A CG \n1043 C CD . ARG A 140 ? 0.5166 0.5598 0.6205 -0.0080 -0.0149 -0.0150 832 ARG A CD \n1044 N NE . ARG A 140 ? 0.5085 0.5499 0.6058 -0.0072 -0.0117 -0.0178 832 ARG A NE \n1045 C CZ . ARG A 140 ? 0.7086 0.7431 0.7968 -0.0081 -0.0123 -0.0193 832 ARG A CZ \n1046 N NH1 . ARG A 140 ? 0.7962 0.8305 0.8795 -0.0070 -0.0083 -0.0220 832 ARG A NH1 \n1047 N NH2 . ARG A 140 ? 0.6245 0.6521 0.7082 -0.0099 -0.0168 -0.0182 832 ARG A NH2 \n1048 N N . LEU A 141 ? 0.2907 0.3555 0.4103 -0.0055 -0.0048 -0.0120 833 LEU A N \n1049 C CA . LEU A 141 ? 0.3721 0.4378 0.4899 -0.0058 -0.0034 -0.0119 833 LEU A CA \n1050 C C . LEU A 141 ? 0.3766 0.4462 0.4969 -0.0047 -0.0007 -0.0122 833 LEU A C \n1051 O O . LEU A 141 ? 0.3213 0.3928 0.4457 -0.0034 -0.0004 -0.0112 833 LEU A O \n1052 C CB . LEU A 141 ? 0.3742 0.4393 0.4941 -0.0055 -0.0054 -0.0102 833 LEU A CB \n1053 C CG . LEU A 141 ? 0.4258 0.4891 0.5419 -0.0061 -0.0056 -0.0099 833 LEU A CG \n1054 C CD1 . LEU A 141 ? 0.5465 0.6095 0.6662 -0.0049 -0.0076 -0.0085 833 LEU A CD1 \n1055 C CD2 . LEU A 141 ? 0.6011 0.6667 0.7163 -0.0060 -0.0028 -0.0103 833 LEU A CD2 \n1056 N N . VAL A 142 ? 0.2756 0.3463 0.3933 -0.0052 0.0011 -0.0136 834 VAL A N \n1057 C CA . VAL A 142 ? 0.2583 0.3323 0.3784 -0.0044 0.0029 -0.0139 834 VAL A CA \n1058 C C . VAL A 142 ? 0.2312 0.3049 0.3502 -0.0050 0.0028 -0.0126 834 VAL A C \n1059 O O . VAL A 142 ? 0.2926 0.3642 0.4076 -0.0066 0.0022 -0.0124 834 VAL A O \n1060 C CB . VAL A 142 ? 0.2625 0.3387 0.3815 -0.0049 0.0049 -0.0157 834 VAL A CB \n1061 C CG1 . VAL A 142 ? 0.2351 0.3148 0.3580 -0.0039 0.0059 -0.0158 834 VAL A CG1 \n1062 C CG2 . VAL A 142 ? 0.2941 0.3690 0.4126 -0.0041 0.0049 -0.0172 834 VAL A CG2 \n1063 N N . HIS A 143 ? 0.2424 0.3173 0.3641 -0.0037 0.0031 -0.0119 835 HIS A N \n1064 C CA . HIS A 143 ? 0.2303 0.3038 0.3504 -0.0037 0.0029 -0.0108 835 HIS A CA \n1065 C C . HIS A 143 ? 0.2785 0.3524 0.3958 -0.0054 0.0033 -0.0111 835 HIS A C \n1066 O O . HIS A 143 ? 0.2772 0.3489 0.3905 -0.0070 0.0026 -0.0107 835 HIS A O \n1067 C CB . HIS A 143 ? 0.2254 0.2991 0.3477 -0.0020 0.0035 -0.0101 835 HIS A CB \n1068 C CG . HIS A 143 ? 0.2639 0.3350 0.3840 -0.0013 0.0033 -0.0090 835 HIS A CG \n1069 N ND1 . HIS A 143 ? 0.2639 0.3331 0.3801 -0.0022 0.0028 -0.0089 835 HIS A ND1 \n1070 C CD2 . HIS A 143 ? 0.3124 0.3823 0.4335 0.0003 0.0037 -0.0082 835 HIS A CD2 \n1071 C CE1 . HIS A 143 ? 0.2792 0.3452 0.3931 -0.0010 0.0026 -0.0081 835 HIS A CE1 \n1072 N NE2 . HIS A 143 ? 0.2829 0.3498 0.4002 0.0008 0.0035 -0.0078 835 HIS A NE2 \n1073 N N . ARG A 144 ? 0.2578 0.3346 0.3775 -0.0053 0.0043 -0.0119 836 ARG A N \n1074 C CA . ARG A 144 ? 0.2466 0.3254 0.3657 -0.0070 0.0048 -0.0121 836 ARG A CA \n1075 C C . ARG A 144 ? 0.3245 0.4013 0.4417 -0.0075 0.0037 -0.0108 836 ARG A C \n1076 O O . ARG A 144 ? 0.3320 0.4106 0.4494 -0.0093 0.0036 -0.0108 836 ARG A O \n1077 C CB . ARG A 144 ? 0.3143 0.3933 0.4301 -0.0095 0.0055 -0.0126 836 ARG A CB \n1078 C CG . ARG A 144 ? 0.3063 0.3864 0.4226 -0.0093 0.0068 -0.0141 836 ARG A CG \n1079 C CD . ARG A 144 ? 0.3889 0.4679 0.5002 -0.0120 0.0077 -0.0144 836 ARG A CD \n1080 N NE . ARG A 144 ? 0.3925 0.4712 0.5027 -0.0116 0.0089 -0.0160 836 ARG A NE \n1081 C CZ . ARG A 144 ? 0.4796 0.5540 0.5869 -0.0112 0.0073 -0.0159 836 ARG A CZ \n1082 N NH1 . ARG A 144 ? 0.4962 0.5672 0.6027 -0.0109 0.0047 -0.0144 836 ARG A NH1 \n1083 N NH2 . ARG A 144 ? 0.5225 0.5957 0.6277 -0.0110 0.0083 -0.0175 836 ARG A NH2 \n1084 N N . ASP A 145 ? 0.2918 0.3649 0.4072 -0.0060 0.0028 -0.0099 837 ASP A N \n1085 C CA . ASP A 145 ? 0.3226 0.3922 0.4347 -0.0061 0.0017 -0.0089 837 ASP A CA \n1086 C C . ASP A 145 ? 0.2545 0.3213 0.3662 -0.0036 0.0019 -0.0083 837 ASP A C \n1087 O O . ASP A 145 ? 0.2949 0.3572 0.4025 -0.0028 0.0014 -0.0076 837 ASP A O \n1088 C CB . ASP A 145 ? 0.3879 0.4540 0.4949 -0.0078 0.0005 -0.0082 837 ASP A CB \n1089 C CG . ASP A 145 ? 0.4482 0.5099 0.5507 -0.0084 -0.0011 -0.0072 837 ASP A CG \n1090 O OD1 . ASP A 145 ? 0.4477 0.5045 0.5450 -0.0087 -0.0024 -0.0066 837 ASP A OD1 \n1091 O OD2 . ASP A 145 ? 0.4400 0.5023 0.5435 -0.0087 -0.0015 -0.0070 837 ASP A OD2 \n1092 N N . LEU A 146 ? 0.2286 0.2974 0.3440 -0.0023 0.0028 -0.0087 838 LEU A N \n1093 C CA . LEU A 146 ? 0.2692 0.3353 0.3837 -0.0004 0.0034 -0.0081 838 LEU A CA \n1094 C C . LEU A 146 ? 0.3420 0.4044 0.4528 -0.0006 0.0024 -0.0076 838 LEU A C \n1095 O O . LEU A 146 ? 0.2428 0.3066 0.3549 -0.0017 0.0011 -0.0079 838 LEU A O \n1096 C CB . LEU A 146 ? 0.2292 0.2976 0.3477 0.0004 0.0043 -0.0084 838 LEU A CB \n1097 C CG . LEU A 146 ? 0.2123 0.2779 0.3295 0.0018 0.0055 -0.0075 838 LEU A CG \n1098 C CD1 . LEU A 146 ? 0.2430 0.3078 0.3599 0.0029 0.0070 -0.0069 838 LEU A CD1 \n1099 C CD2 . LEU A 146 ? 0.2684 0.3358 0.3892 0.0019 0.0058 -0.0077 838 LEU A CD2 \n1100 N N . ALA A 147 ? 0.2679 0.3253 0.3740 0.0005 0.0029 -0.0069 839 ALA A N \n1101 C CA . ALA A 147 ? 0.2880 0.3398 0.3884 0.0005 0.0017 -0.0063 839 ALA A CA \n1102 C C . ALA A 147 ? 0.2938 0.3407 0.3896 0.0026 0.0036 -0.0059 839 ALA A C \n1103 O O . ALA A 147 ? 0.3003 0.3488 0.3980 0.0039 0.0053 -0.0061 839 ALA A O \n1104 C CB . ALA A 147 ? 0.2913 0.3414 0.3888 -0.0014 -0.0006 -0.0061 839 ALA A CB \n1105 N N . ALA A 148 ? 0.2782 0.3191 0.3681 0.0031 0.0035 -0.0055 840 ALA A N \n1106 C CA . ALA A 148 ? 0.3170 0.3526 0.4015 0.0053 0.0060 -0.0053 840 ALA A CA \n1107 C C . ALA A 148 ? 0.3748 0.4080 0.4564 0.0065 0.0060 -0.0056 840 ALA A C \n1108 O O . ALA A 148 ? 0.2922 0.3251 0.3738 0.0090 0.0088 -0.0058 840 ALA A O \n1109 C CB . ALA A 148 ? 0.3648 0.3926 0.4413 0.0053 0.0054 -0.0048 840 ALA A CB \n1110 N N . ARG A 149 ? 0.2988 0.3306 0.3783 0.0048 0.0028 -0.0055 841 ARG A N \n1111 C CA . ARG A 149 ? 0.3912 0.4204 0.4679 0.0056 0.0020 -0.0057 841 ARG A CA \n1112 C C . ARG A 149 ? 0.3389 0.3737 0.4220 0.0067 0.0033 -0.0062 841 ARG A C \n1113 O O . ARG A 149 ? 0.3461 0.3780 0.4270 0.0086 0.0033 -0.0065 841 ARG A O \n1114 C CB . ARG A 149 ? 0.3254 0.3523 0.3989 0.0026 -0.0018 -0.0052 841 ARG A CB \n1115 C CG . ARG A 149 ? 0.3017 0.3362 0.3821 0.0000 -0.0028 -0.0053 841 ARG A CG \n1116 C CD . ARG A 149 ? 0.3369 0.3701 0.4149 -0.0035 -0.0061 -0.0045 841 ARG A CD \n1117 N NE . ARG A 149 ? 0.3541 0.3954 0.4393 -0.0058 -0.0058 -0.0048 841 ARG A NE \n1118 C CZ . ARG A 149 ? 0.4556 0.5014 0.5456 -0.0069 -0.0060 -0.0048 841 ARG A CZ \n1119 N NH1 . ARG A 149 ? 0.3996 0.4418 0.4875 -0.0064 -0.0071 -0.0044 841 ARG A NH1 \n1120 N NH2 . ARG A 149 ? 0.3827 0.4359 0.4793 -0.0084 -0.0051 -0.0054 841 ARG A NH2 \n1121 N N . ASN A 150 ? 0.2986 0.3407 0.3894 0.0056 0.0041 -0.0062 842 ASN A N \n1122 C CA . ASN A 150 ? 0.3323 0.3794 0.4292 0.0061 0.0046 -0.0065 842 ASN A CA \n1123 C C . ASN A 150 ? 0.2613 0.3121 0.3636 0.0081 0.0076 -0.0065 842 ASN A C \n1124 O O . ASN A 150 ? 0.2997 0.3555 0.4083 0.0079 0.0077 -0.0065 842 ASN A O \n1125 C CB . ASN A 150 ? 0.3173 0.3690 0.4177 0.0033 0.0030 -0.0067 842 ASN A CB \n1126 C CG . ASN A 150 ? 0.4294 0.4782 0.5252 0.0011 0.0004 -0.0065 842 ASN A CG \n1127 O OD1 . ASN A 150 ? 0.3412 0.3850 0.4324 0.0020 -0.0007 -0.0064 842 ASN A OD1 \n1128 N ND2 . ASN A 150 ? 0.3278 0.3796 0.4250 -0.0017 -0.0004 -0.0066 842 ASN A ND2 \n1129 N N . VAL A 151 ? 0.2519 0.2996 0.3511 0.0097 0.0099 -0.0063 843 VAL A N \n1130 C CA . VAL A 151 ? 0.3401 0.3906 0.4435 0.0116 0.0135 -0.0060 843 VAL A CA \n1131 C C . VAL A 151 ? 0.3500 0.3961 0.4494 0.0148 0.0154 -0.0064 843 VAL A C \n1132 O O . VAL A 151 ? 0.3605 0.3996 0.4514 0.0154 0.0152 -0.0066 843 VAL A O \n1133 C CB . VAL A 151 ? 0.3035 0.3535 0.4057 0.0107 0.0152 -0.0055 843 VAL A CB \n1134 C CG1 . VAL A 151 ? 0.2925 0.3456 0.3991 0.0120 0.0192 -0.0050 843 VAL A CG1 \n1135 C CG2 . VAL A 151 ? 0.2531 0.3066 0.3588 0.0080 0.0128 -0.0055 843 VAL A CG2 \n1136 N N . LEU A 152 ? 0.3408 0.3908 0.4464 0.0170 0.0170 -0.0065 844 LEU A N \n1137 C CA . LEU A 152 ? 0.3145 0.3611 0.4176 0.0208 0.0189 -0.0072 844 LEU A CA \n1138 C C . LEU A 152 ? 0.3522 0.4021 0.4594 0.0230 0.0242 -0.0070 844 LEU A C \n1139 O O . LEU A 152 ? 0.3217 0.3784 0.4370 0.0217 0.0255 -0.0062 844 LEU A O \n1140 C CB . LEU A 152 ? 0.3413 0.3893 0.4485 0.0221 0.0160 -0.0077 844 LEU A CB \n1141 C CG . LEU A 152 ? 0.3468 0.3911 0.4492 0.0196 0.0110 -0.0077 844 LEU A CG \n1142 C CD1 . LEU A 152 ? 0.3691 0.4127 0.4733 0.0208 0.0079 -0.0081 844 LEU A CD1 \n1143 C CD2 . LEU A 152 ? 0.4076 0.4436 0.4991 0.0191 0.0101 -0.0079 844 LEU A CD2 \n1144 N N . VAL A 153 ? 0.3750 0.4196 0.4762 0.0261 0.0272 -0.0078 845 VAL A N \n1145 C CA . VAL A 153 ? 0.4231 0.4704 0.5273 0.0284 0.0332 -0.0078 845 VAL A CA \n1146 C C . VAL A 153 ? 0.4480 0.5015 0.5621 0.0320 0.0348 -0.0083 845 VAL A C \n1147 O O . VAL A 153 ? 0.4598 0.5093 0.5712 0.0355 0.0340 -0.0095 845 VAL A O \n1148 C CB . VAL A 153 ? 0.4368 0.4746 0.5284 0.0301 0.0362 -0.0085 845 VAL A CB \n1149 C CG1 . VAL A 153 ? 0.3912 0.4315 0.4848 0.0323 0.0433 -0.0085 845 VAL A CG1 \n1150 C CG2 . VAL A 153 ? 0.3953 0.4271 0.4781 0.0264 0.0337 -0.0077 845 VAL A CG2 \n1151 N N . LYS A 154 ? 0.3941 0.4571 0.5201 0.0311 0.0365 -0.0073 846 LYS A N \n1152 C CA . LYS A 154 ? 0.4828 0.5529 0.6200 0.0345 0.0386 -0.0075 846 LYS A CA \n1153 C C . LYS A 154 ? 0.4150 0.4851 0.5509 0.0375 0.0460 -0.0080 846 LYS A C \n1154 O O . LYS A 154 ? 0.4911 0.5598 0.6270 0.0422 0.0480 -0.0095 846 LYS A O \n1155 C CB . LYS A 154 ? 0.3972 0.4772 0.5476 0.0320 0.0372 -0.0060 846 LYS A CB \n1156 C CG . LYS A 154 ? 0.5679 0.6557 0.7315 0.0353 0.0380 -0.0061 846 LYS A CG \n1157 C CD . LYS A 154 ? 0.6311 0.7286 0.8073 0.0323 0.0381 -0.0042 846 LYS A CD \n1158 C CE . LYS A 154 ? 0.8648 0.9683 1.0532 0.0337 0.0340 -0.0040 846 LYS A CE \n1159 N NZ . LYS A 154 ? 0.6703 0.7794 0.8681 0.0386 0.0380 -0.0046 846 LYS A NZ \n1160 N N . THR A 155 ? 0.3995 0.4706 0.5335 0.0348 0.0499 -0.0068 847 THR A N \n1161 C CA . THR A 155 ? 0.4406 0.5088 0.5687 0.0366 0.0571 -0.0072 847 THR A CA \n1162 C C . THR A 155 ? 0.5646 0.6256 0.6811 0.0326 0.0570 -0.0064 847 THR A C \n1163 O O . THR A 155 ? 0.5342 0.5963 0.6518 0.0287 0.0525 -0.0053 847 THR A O \n1164 C CB . THR A 155 ? 0.4591 0.5379 0.5997 0.0372 0.0634 -0.0063 847 THR A CB \n1165 O OG1 . THR A 155 ? 0.4338 0.5175 0.5788 0.0320 0.0631 -0.0041 847 THR A OG1 \n1166 C CG2 . THR A 155 ? 0.5178 0.6057 0.6732 0.0406 0.0622 -0.0068 847 THR A CG2 \n1167 N N . PRO A 156 ? 0.5518 0.6051 0.6568 0.0338 0.0617 -0.0069 848 PRO A N \n1168 C CA . PRO A 156 ? 0.5172 0.5631 0.6111 0.0299 0.0613 -0.0059 848 PRO A CA \n1169 C C . PRO A 156 ? 0.5173 0.5702 0.6187 0.0253 0.0609 -0.0039 848 PRO A C \n1170 O O . PRO A 156 ? 0.5339 0.5819 0.6290 0.0218 0.0575 -0.0031 848 PRO A O \n1171 C CB . PRO A 156 ? 0.5562 0.5957 0.6402 0.0320 0.0684 -0.0066 848 PRO A CB \n1172 C CG . PRO A 156 ? 0.6456 0.6839 0.7296 0.0377 0.0702 -0.0087 848 PRO A CG \n1173 C CD . PRO A 156 ? 0.6294 0.6780 0.7288 0.0389 0.0666 -0.0088 848 PRO A CD \n1174 N N . GLN A 157 ? 0.4885 0.5522 0.6033 0.0253 0.0640 -0.0030 849 GLN A N \n1175 C CA . GLN A 157 ? 0.4706 0.5402 0.5921 0.0207 0.0632 -0.0009 849 GLN A CA \n1176 C C . GLN A 157 ? 0.4699 0.5470 0.6032 0.0194 0.0572 -0.0004 849 GLN A C \n1177 O O . GLN A 157 ? 0.5003 0.5829 0.6406 0.0160 0.0563 0.0012 849 GLN A O \n1178 C CB . GLN A 157 ? 0.6706 0.7463 0.7977 0.0200 0.0707 0.0004 849 GLN A CB \n1179 C CG . GLN A 157 ? 0.7676 0.8513 0.9050 0.0242 0.0758 -0.0003 849 GLN A CG \n1180 C CD . GLN A 157 ? 0.7219 0.7984 0.8491 0.0288 0.0809 -0.0023 849 GLN A CD \n1181 O OE1 . GLN A 157 ? 0.7378 0.8149 0.8677 0.0335 0.0804 -0.0042 849 GLN A OE1 \n1182 N NE2 . GLN A 157 ? 0.7377 0.8063 0.8521 0.0274 0.0855 -0.0020 849 GLN A NE2 \n1183 N N . HIS A 158 ? 0.4787 0.5549 0.6128 0.0218 0.0529 -0.0018 850 HIS A N \n1184 C CA . HIS A 158 ? 0.3820 0.4638 0.5254 0.0208 0.0472 -0.0015 850 HIS A CA \n1185 C C . HIS A 158 ? 0.3816 0.4571 0.5181 0.0215 0.0417 -0.0029 850 HIS A C \n1186 O O . HIS A 158 ? 0.4160 0.4887 0.5502 0.0249 0.0414 -0.0043 850 HIS A O \n1187 C CB . HIS A 158 ? 0.5193 0.6100 0.6759 0.0233 0.0486 -0.0014 850 HIS A CB \n1188 C CG . HIS A 158 ? 0.6223 0.7185 0.7886 0.0217 0.0430 -0.0008 850 HIS A CG \n1189 N ND1 . HIS A 158 ? 0.7603 0.8659 0.9405 0.0217 0.0435 0.0003 850 HIS A ND1 \n1190 C CD2 . HIS A 158 ? 0.5044 0.5978 0.6681 0.0200 0.0368 -0.0011 850 HIS A CD2 \n1191 C CE1 . HIS A 158 ? 0.6793 0.7865 0.8640 0.0201 0.0374 0.0006 850 HIS A CE1 \n1192 N NE2 . HIS A 158 ? 0.5429 0.6428 0.7175 0.0191 0.0336 -0.0003 850 HIS A NE2 \n1193 N N . VAL A 159 ? 0.3189 0.3921 0.4522 0.0183 0.0373 -0.0026 851 VAL A N \n1194 C CA . VAL A 159 ? 0.2849 0.3532 0.4125 0.0183 0.0323 -0.0037 851 VAL A CA \n1195 C C . VAL A 159 ? 0.3025 0.3753 0.4369 0.0164 0.0276 -0.0034 851 VAL A C \n1196 O O . VAL A 159 ? 0.3993 0.4774 0.5408 0.0145 0.0274 -0.0024 851 VAL A O \n1197 C CB . VAL A 159 ? 0.2840 0.3445 0.4004 0.0166 0.0311 -0.0038 851 VAL A CB \n1198 C CG1 . VAL A 159 ? 0.3096 0.3638 0.4174 0.0184 0.0353 -0.0041 851 VAL A CG1 \n1199 C CG2 . VAL A 159 ? 0.3150 0.3771 0.4328 0.0132 0.0301 -0.0028 851 VAL A CG2 \n1200 N N . LYS A 160 ? 0.2576 0.3277 0.3893 0.0169 0.0238 -0.0043 852 LYS A N \n1201 C CA . LYS A 160 ? 0.3099 0.3830 0.4465 0.0153 0.0195 -0.0043 852 LYS A CA \n1202 C C . LYS A 160 ? 0.3318 0.4003 0.4614 0.0136 0.0160 -0.0050 852 LYS A C \n1203 O O . LYS A 160 ? 0.3538 0.4169 0.4761 0.0146 0.0157 -0.0056 852 LYS A O \n1204 C CB . LYS A 160 ? 0.3028 0.3780 0.4449 0.0178 0.0184 -0.0046 852 LYS A CB \n1205 C CG . LYS A 160 ? 0.3747 0.4558 0.5258 0.0199 0.0219 -0.0039 852 LYS A CG \n1206 C CD . LYS A 160 ? 0.4201 0.5032 0.5773 0.0226 0.0199 -0.0044 852 LYS A CD \n1207 C CE . LYS A 160 ? 0.4913 0.5779 0.6553 0.0205 0.0152 -0.0036 852 LYS A CE \n1208 N NZ . LYS A 160 ? 0.5999 0.6891 0.7716 0.0232 0.0131 -0.0037 852 LYS A NZ \n1209 N N . ILE A 161 ? 0.2815 0.3522 0.4134 0.0112 0.0132 -0.0049 853 ILE A N \n1210 C CA . ILE A 161 ? 0.3166 0.3845 0.4432 0.0093 0.0104 -0.0056 853 ILE A CA \n1211 C C . ILE A 161 ? 0.3359 0.4024 0.4618 0.0093 0.0075 -0.0060 853 ILE A C \n1212 O O . ILE A 161 ? 0.3347 0.4037 0.4659 0.0100 0.0064 -0.0057 853 ILE A O \n1213 C CB . ILE A 161 ? 0.2598 0.3303 0.3886 0.0068 0.0093 -0.0056 853 ILE A CB \n1214 C CG1 . ILE A 161 ? 0.2723 0.3431 0.4012 0.0066 0.0115 -0.0051 853 ILE A CG1 \n1215 C CG2 . ILE A 161 ? 0.3457 0.4144 0.4703 0.0050 0.0071 -0.0064 853 ILE A CG2 \n1216 C CD1 . ILE A 161 ? 0.3945 0.4682 0.5275 0.0049 0.0106 -0.0049 853 ILE A CD1 \n1217 N N . THR A 162 ? 0.2592 0.3215 0.3785 0.0085 0.0059 -0.0064 854 THR A N \n1218 C CA . THR A 162 ? 0.2861 0.3459 0.4029 0.0078 0.0029 -0.0067 854 THR A CA \n1219 C C . THR A 162 ? 0.2984 0.3569 0.4106 0.0046 0.0013 -0.0069 854 THR A C \n1220 O O . THR A 162 ? 0.3447 0.4046 0.4566 0.0035 0.0024 -0.0070 854 THR A O \n1221 C CB . THR A 162 ? 0.2564 0.3112 0.3691 0.0103 0.0025 -0.0068 854 THR A CB \n1222 O OG1 . THR A 162 ? 0.2685 0.3207 0.3796 0.0098 -0.0009 -0.0069 854 THR A OG1 \n1223 C CG2 . THR A 162 ? 0.3036 0.3532 0.4084 0.0099 0.0027 -0.0070 854 THR A CG2 \n1224 N N . ASP A 163 ? 0.2771 0.3330 0.3861 0.0031 -0.0013 -0.0070 855 ASP A N \n1225 C CA . ASP A 163 ? 0.3725 0.4269 0.4764 -0.0001 -0.0025 -0.0071 855 ASP A CA \n1226 C C . ASP A 163 ? 0.2956 0.3544 0.4023 -0.0023 -0.0017 -0.0076 855 ASP A C \n1227 O O . ASP A 163 ? 0.4732 0.5325 0.5774 -0.0047 -0.0016 -0.0078 855 ASP A O \n1228 C CB . ASP A 163 ? 0.3851 0.4371 0.4849 -0.0004 -0.0020 -0.0069 855 ASP A CB \n1229 C CG . ASP A 163 ? 0.5026 0.5505 0.5959 -0.0032 -0.0042 -0.0066 855 ASP A CG \n1230 O OD1 . ASP A 163 ? 0.4714 0.5158 0.5615 -0.0038 -0.0064 -0.0064 855 ASP A OD1 \n1231 O OD2 . ASP A 163 ? 0.4940 0.5419 0.5854 -0.0050 -0.0042 -0.0063 855 ASP A OD2 \n1232 N N . PHE A 164 ? 0.3455 0.4071 0.4571 -0.0013 -0.0013 -0.0077 856 PHE A N \n1233 C CA . PHE A 164 ? 0.2923 0.3570 0.4059 -0.0028 -0.0007 -0.0084 856 PHE A CA \n1234 C C . PHE A 164 ? 0.4270 0.4895 0.5366 -0.0052 -0.0024 -0.0087 856 PHE A C \n1235 O O . PHE A 164 ? 0.3875 0.4466 0.4953 -0.0052 -0.0047 -0.0082 856 PHE A O \n1236 C CB . PHE A 164 ? 0.3394 0.4067 0.4588 -0.0013 -0.0003 -0.0082 856 PHE A CB \n1237 C CG . PHE A 164 ? 0.4110 0.4775 0.5332 0.0000 -0.0018 -0.0074 856 PHE A CG \n1238 C CD1 . PHE A 164 ? 0.4347 0.5018 0.5598 0.0025 -0.0007 -0.0068 856 PHE A CD1 \n1239 C CD2 . PHE A 164 ? 0.3824 0.4474 0.5044 -0.0009 -0.0044 -0.0074 856 PHE A CD2 \n1240 C CE1 . PHE A 164 ? 0.3572 0.4246 0.4864 0.0041 -0.0019 -0.0062 856 PHE A CE1 \n1241 C CE2 . PHE A 164 ? 0.4610 0.5256 0.5868 0.0004 -0.0064 -0.0066 856 PHE A CE2 \n1242 C CZ . PHE A 164 ? 0.3281 0.3944 0.4581 0.0031 -0.0051 -0.0061 856 PHE A CZ \n1243 N N . GLY A 165 ? 0.3466 0.4107 0.4547 -0.0073 -0.0012 -0.0095 857 GLY A N \n1244 C CA . GLY A 165 ? 0.3407 0.4025 0.4441 -0.0098 -0.0020 -0.0099 857 GLY A CA \n1245 C C . GLY A 165 ? 0.3942 0.4527 0.4913 -0.0124 -0.0028 -0.0095 857 GLY A C \n1246 O O . GLY A 165 ? 0.4113 0.4668 0.5031 -0.0149 -0.0034 -0.0096 857 GLY A O \n1247 N N . LEU A 166 ? 0.4096 0.4675 0.5061 -0.0121 -0.0030 -0.0088 858 LEU A N \n1248 C CA . LEU A 166 ? 0.3812 0.4352 0.4713 -0.0148 -0.0043 -0.0081 858 LEU A CA \n1249 C C . LEU A 166 ? 0.4139 0.4714 0.5031 -0.0180 -0.0019 -0.0085 858 LEU A C \n1250 O O . LEU A 166 ? 0.4059 0.4608 0.4894 -0.0215 -0.0022 -0.0081 858 LEU A O \n1251 C CB . LEU A 166 ? 0.4737 0.5250 0.5629 -0.0133 -0.0056 -0.0072 858 LEU A CB \n1252 C CG . LEU A 166 ? 0.5130 0.5574 0.5949 -0.0149 -0.0085 -0.0063 858 LEU A CG \n1253 C CD1 . LEU A 166 ? 0.5555 0.5952 0.6346 -0.0145 -0.0113 -0.0061 858 LEU A CD1 \n1254 C CD2 . LEU A 166 ? 0.4102 0.4521 0.4917 -0.0124 -0.0094 -0.0058 858 LEU A CD2 \n1255 N N . ALA A 167 ? 0.3981 0.4613 0.4931 -0.0169 0.0003 -0.0091 859 ALA A N \n1256 C CA . ALA A 167 ? 0.4244 0.4923 0.5207 -0.0193 0.0027 -0.0097 859 ALA A CA \n1257 C C . ALA A 167 ? 0.4541 0.5224 0.5478 -0.0211 0.0045 -0.0107 859 ALA A C \n1258 O O . ALA A 167 ? 0.4212 0.4910 0.5125 -0.0244 0.0063 -0.0108 859 ALA A O \n1259 C CB . ALA A 167 ? 0.3835 0.4571 0.4870 -0.0172 0.0042 -0.0104 859 ALA A CB \n1260 N N . LYS A 168 ? 0.3944 0.4610 0.4883 -0.0191 0.0040 -0.0115 860 LYS A N \n1261 C CA . LYS A 168 ? 0.4631 0.5280 0.5527 -0.0207 0.0051 -0.0125 860 LYS A CA \n1262 C C . LYS A 168 ? 0.4276 0.4859 0.5084 -0.0240 0.0032 -0.0114 860 LYS A C \n1263 O O . LYS A 168 ? 0.5035 0.5608 0.5790 -0.0272 0.0051 -0.0118 860 LYS A O \n1264 C CB . LYS A 168 ? 0.5459 0.6094 0.6373 -0.0180 0.0041 -0.0132 860 LYS A CB \n1265 C CG . LYS A 168 ? 0.6211 0.6798 0.7055 -0.0198 0.0039 -0.0140 860 LYS A CG \n1266 C CD . LYS A 168 ? 0.6370 0.6961 0.7238 -0.0176 0.0042 -0.0153 860 LYS A CD \n1267 C CE . LYS A 168 ? 0.7906 0.8452 0.8695 -0.0195 0.0052 -0.0165 860 LYS A CE \n1268 N NZ . LYS A 168 ? 0.8792 0.9347 0.9600 -0.0173 0.0064 -0.0183 860 LYS A NZ \n1269 N N . LEU A 169 ? 0.4018 0.4553 0.4810 -0.0231 -0.0004 -0.0102 861 LEU A N \n1270 C CA . LEU A 169 ? 0.4997 0.5455 0.5702 -0.0258 -0.0033 -0.0092 861 LEU A CA \n1271 C C . LEU A 169 ? 0.5116 0.5569 0.5769 -0.0301 -0.0020 -0.0084 861 LEU A C \n1272 O O . LEU A 169 ? 0.5070 0.5471 0.5639 -0.0338 -0.0026 -0.0080 861 LEU A O \n1273 C CB . LEU A 169 ? 0.5362 0.5777 0.6073 -0.0234 -0.0075 -0.0081 861 LEU A CB \n1274 C CG . LEU A 169 ? 0.7381 0.7708 0.8009 -0.0253 -0.0117 -0.0070 861 LEU A CG \n1275 C CD1 . LEU A 169 ? 0.9177 0.9452 0.9743 -0.0274 -0.0130 -0.0073 861 LEU A CD1 \n1276 C CD2 . LEU A 169 ? 0.5587 0.5890 0.6249 -0.0215 -0.0151 -0.0064 861 LEU A CD2 \n1277 N N . LEU A 170 ? 0.5120 0.5625 0.5823 -0.0299 -0.0005 -0.0081 862 LEU A N \n1278 C CA . LEU A 170 ? 0.5600 0.6107 0.6268 -0.0341 0.0000 -0.0070 862 LEU A CA \n1279 C C . LEU A 170 ? 0.5690 0.6265 0.6378 -0.0368 0.0048 -0.0079 862 LEU A C \n1280 O O . LEU A 170 ? 0.5828 0.6420 0.6501 -0.0408 0.0059 -0.0069 862 LEU A O \n1281 C CB . LEU A 170 ? 0.5311 0.5827 0.6014 -0.0327 -0.0016 -0.0060 862 LEU A CB \n1282 C CG . LEU A 170 ? 0.5454 0.5893 0.6117 -0.0309 -0.0062 -0.0050 862 LEU A CG \n1283 C CD1 . LEU A 170 ? 0.5737 0.6185 0.6432 -0.0291 -0.0070 -0.0044 862 LEU A CD1 \n1284 C CD2 . LEU A 170 ? 0.5706 0.6061 0.6267 -0.0348 -0.0091 -0.0037 862 LEU A CD2 \n1285 N N . GLY A 171 ? 0.5806 0.6421 0.6532 -0.0347 0.0077 -0.0097 863 GLY A N \n1286 C CA . GLY A 171 ? 0.5244 0.5922 0.5990 -0.0365 0.0127 -0.0110 863 GLY A CA \n1287 C C . GLY A 171 ? 0.4499 0.5273 0.5347 -0.0354 0.0152 -0.0115 863 GLY A C \n1288 O O . GLY A 171 ? 0.5782 0.6617 0.6654 -0.0377 0.0192 -0.0121 863 GLY A O \n1289 N N . ALA A 172 ? 0.4607 0.5396 0.5517 -0.0318 0.0129 -0.0113 864 ALA A N \n1290 C CA . ALA A 172 ? 0.4768 0.5635 0.5771 -0.0306 0.0140 -0.0116 864 ALA A CA \n1291 C C . ALA A 172 ? 0.4245 0.5179 0.5314 -0.0280 0.0177 -0.0139 864 ALA A C \n1292 O O . ALA A 172 ? 0.4703 0.5705 0.5856 -0.0268 0.0185 -0.0144 864 ALA A O \n1293 C CB . ALA A 172 ? 0.4623 0.5470 0.5654 -0.0278 0.0105 -0.0106 864 ALA A CB \n1294 N N . GLU A 173 ? 0.4016 0.4925 0.5046 -0.0270 0.0192 -0.0154 865 GLU A N \n1295 C CA . GLU A 173 ? 0.4931 0.5890 0.6008 -0.0245 0.0228 -0.0180 865 GLU A CA \n1296 C C . GLU A 173 ? 0.5388 0.6389 0.6452 -0.0276 0.0278 -0.0190 865 GLU A C \n1297 O O . GLU A 173 ? 0.4377 0.5427 0.5481 -0.0255 0.0314 -0.0213 865 GLU A O \n1298 C CB . GLU A 173 ? 0.4546 0.5449 0.5583 -0.0217 0.0217 -0.0192 865 GLU A CB \n1299 C CG . GLU A 173 ? 0.6108 0.6977 0.7164 -0.0188 0.0175 -0.0182 865 GLU A CG \n1300 C CD . GLU A 173 ? 0.7760 0.8593 0.8803 -0.0160 0.0166 -0.0194 865 GLU A CD \n1301 O OE1 . GLU A 173 ? 0.6465 0.7296 0.7549 -0.0133 0.0143 -0.0191 865 GLU A OE1 \n1302 O OE2 . GLU A 173 ? 0.7467 0.8270 0.8454 -0.0168 0.0182 -0.0207 865 GLU A OE2 \n1303 N N . GLU A 174 ? 0.5312 0.6292 0.6318 -0.0324 0.0280 -0.0172 866 GLU A N \n1304 C CA . GLU A 174 ? 0.5210 0.6227 0.6192 -0.0363 0.0330 -0.0177 866 GLU A CA \n1305 C C . GLU A 174 ? 0.4482 0.5565 0.5523 -0.0398 0.0334 -0.0159 866 GLU A C \n1306 O O . GLU A 174 ? 0.4220 0.5289 0.5283 -0.0398 0.0290 -0.0140 866 GLU A O \n1307 C CB . GLU A 174 ? 0.5265 0.6187 0.6110 -0.0401 0.0329 -0.0170 866 GLU A CB \n1308 C CG . GLU A 174 ? 0.6357 0.7215 0.7136 -0.0376 0.0332 -0.0190 866 GLU A CG \n1309 C CD . GLU A 174 ? 0.8191 0.8985 0.8963 -0.0341 0.0276 -0.0184 866 GLU A CD \n1310 O OE1 . GLU A 174 ? 0.9575 1.0343 1.0336 -0.0310 0.0274 -0.0201 866 GLU A OE1 \n1311 O OE2 . GLU A 174 ? 0.8109 0.8879 0.8886 -0.0345 0.0233 -0.0163 866 GLU A OE2 \n1312 N N . LYS A 175 ? 0.3976 0.5130 0.5043 -0.0428 0.0387 -0.0165 867 LYS A N \n1313 C CA . LYS A 175 ? 0.5223 0.6461 0.6372 -0.0460 0.0394 -0.0148 867 LYS A CA \n1314 C C . LYS A 175 ? 0.4677 0.5855 0.5746 -0.0519 0.0363 -0.0116 867 LYS A C \n1315 O O . LYS A 175 ? 0.4393 0.5603 0.5516 -0.0540 0.0336 -0.0095 867 LYS A O \n1316 C CB . LYS A 175 ? 0.3908 0.5254 0.5125 -0.0473 0.0467 -0.0165 867 LYS A CB \n1317 C CG . LYS A 175 ? 0.4489 0.5804 0.5599 -0.0517 0.0519 -0.0169 867 LYS A CG \n1318 C CD . LYS A 175 ? 0.4183 0.5576 0.5339 -0.0494 0.0595 -0.0202 867 LYS A CD \n1319 C CE . LYS A 175 ? 0.4244 0.5564 0.5256 -0.0523 0.0640 -0.0212 867 LYS A CE \n1320 N NZ . LYS A 175 ? 0.4857 0.6032 0.5734 -0.0511 0.0591 -0.0210 867 LYS A NZ \n1321 N N . GLU A 176 ? 0.4400 0.5481 0.5337 -0.0545 0.0360 -0.0111 868 GLU A N \n1322 C CA . GLU A 176 ? 0.5289 0.6301 0.6131 -0.0605 0.0334 -0.0082 868 GLU A CA \n1323 C C . GLU A 176 ? 0.5488 0.6451 0.6333 -0.0598 0.0264 -0.0060 868 GLU A C \n1324 O O . GLU A 176 ? 0.4754 0.5723 0.5600 -0.0642 0.0246 -0.0036 868 GLU A O \n1325 C CB . GLU A 176 ? 0.6021 0.6923 0.6715 -0.0625 0.0335 -0.0084 868 GLU A CB \n1326 C CG . GLU A 176 ? 0.6207 0.7137 0.6858 -0.0658 0.0405 -0.0096 868 GLU A CG \n1327 C CD . GLU A 176 ? 0.6491 0.7473 0.7193 -0.0607 0.0453 -0.0132 868 GLU A CD \n1328 O OE1 . GLU A 176 ? 0.4811 0.5775 0.5545 -0.0549 0.0423 -0.0146 868 GLU A OE1 \n1329 O OE2 . GLU A 176 ? 0.5551 0.6590 0.6257 -0.0626 0.0522 -0.0146 868 GLU A OE2 \n1330 N N . TYR A 177 ? 0.5147 0.6061 0.5991 -0.0544 0.0228 -0.0069 869 TYR A N \n1331 C CA . TYR A 177 ? 0.5059 0.5931 0.5913 -0.0525 0.0169 -0.0054 869 TYR A CA \n1332 C C . TYR A 177 ? 0.5519 0.6465 0.6467 -0.0535 0.0162 -0.0042 869 TYR A C \n1333 O O . TYR A 177 ? 0.5002 0.5905 0.5919 -0.0560 0.0122 -0.0020 869 TYR A O \n1334 C CB . TYR A 177 ? 0.5505 0.6351 0.6380 -0.0460 0.0150 -0.0069 869 TYR A CB \n1335 C CG . TYR A 177 ? 0.4925 0.5731 0.5810 -0.0435 0.0100 -0.0058 869 TYR A CG \n1336 C CD1 . TYR A 177 ? 0.4194 0.5054 0.5170 -0.0402 0.0096 -0.0062 869 TYR A CD1 \n1337 C CD2 . TYR A 177 ? 0.5127 0.5835 0.5924 -0.0444 0.0057 -0.0042 869 TYR A CD2 \n1338 C CE1 . TYR A 177 ? 0.4150 0.4964 0.5121 -0.0380 0.0054 -0.0052 869 TYR A CE1 \n1339 C CE2 . TYR A 177 ? 0.4952 0.5620 0.5751 -0.0418 0.0017 -0.0034 869 TYR A CE2 \n1340 C CZ . TYR A 177 ? 0.4832 0.5552 0.5715 -0.0387 0.0018 -0.0039 869 TYR A CZ \n1341 O OH . TYR A 177 ? 0.4906 0.5578 0.5779 -0.0363 -0.0016 -0.0031 869 TYR A OH \n1342 N N . HIS A 178 ? 0.4673 0.5724 0.5732 -0.0515 0.0198 -0.0058 870 HIS A N \n1343 C CA . HIS A 178 ? 0.4297 0.5423 0.5461 -0.0519 0.0186 -0.0049 870 HIS A CA \n1344 C C . HIS A 178 ? 0.5297 0.6474 0.6476 -0.0586 0.0202 -0.0029 870 HIS A C \n1345 O O . HIS A 178 ? 0.4814 0.6004 0.6030 -0.0610 0.0168 -0.0008 870 HIS A O \n1346 C CB . HIS A 178 ? 0.4690 0.5906 0.5970 -0.0470 0.0213 -0.0074 870 HIS A CB \n1347 C CG . HIS A 178 ? 0.4917 0.6084 0.6187 -0.0410 0.0192 -0.0089 870 HIS A CG \n1348 N ND1 . HIS A 178 ? 0.5360 0.6488 0.6577 -0.0384 0.0211 -0.0107 870 HIS A ND1 \n1349 C CD2 . HIS A 178 ? 0.4446 0.5593 0.5748 -0.0374 0.0152 -0.0087 870 HIS A CD2 \n1350 C CE1 . HIS A 178 ? 0.4307 0.5401 0.5533 -0.0337 0.0184 -0.0114 870 HIS A CE1 \n1351 N NE2 . HIS A 178 ? 0.6096 0.7200 0.7370 -0.0330 0.0151 -0.0103 870 HIS A NE2 \n1352 N N . ALA A 179 ? 0.5363 0.6565 0.6510 -0.0618 0.0254 -0.0035 871 ALA A N \n1353 C CA . ALA A 179 ? 0.5903 0.7151 0.7053 -0.0690 0.0277 -0.0014 871 ALA A CA \n1354 C C . ALA A 179 ? 0.6575 0.7714 0.7610 -0.0740 0.0225 0.0016 871 ALA A C \n1355 O O . ALA A 179 ? 0.5472 0.6637 0.6523 -0.0797 0.0215 0.0042 871 ALA A O \n1356 C CB . ALA A 179 ? 0.5564 0.6851 0.6688 -0.0712 0.0351 -0.0030 871 ALA A CB \n1357 N N . GLU A 180 ? 0.5940 0.6957 0.6862 -0.0718 0.0189 0.0015 872 GLU A N \n1358 C CA . GLU A 180 ? 0.6530 0.7428 0.7330 -0.0756 0.0136 0.0041 872 GLU A CA \n1359 C C . GLU A 180 ? 0.6943 0.7789 0.7750 -0.0733 0.0070 0.0054 872 GLU A C \n1360 O O . GLU A 180 ? 0.7354 0.8086 0.8057 -0.0743 0.0021 0.0068 872 GLU A O \n1361 C CB . GLU A 180 ? 0.8126 0.8916 0.8800 -0.0745 0.0130 0.0032 872 GLU A CB \n1362 C CG . GLU A 180 ? 0.9310 1.0104 0.9920 -0.0792 0.0181 0.0030 872 GLU A CG \n1363 C CD . GLU A 180 ? 1.1978 1.2687 1.2495 -0.0764 0.0181 0.0013 872 GLU A CD \n1364 O OE1 . GLU A 180 ? 1.2640 1.3250 1.3096 -0.0736 0.0125 0.0016 872 GLU A OE1 \n1365 O OE2 . GLU A 180 ? 1.1870 1.2609 1.2374 -0.0770 0.0236 -0.0003 872 GLU A OE2 \n1366 N N . GLY A 181 ? 0.6818 0.7741 0.7741 -0.0701 0.0068 0.0047 873 GLY A N \n1367 C CA . GLY A 181 ? 0.6288 0.7164 0.7216 -0.0683 0.0009 0.0060 873 GLY A CA \n1368 C C . GLY A 181 ? 0.5118 0.5940 0.6035 -0.0611 -0.0012 0.0042 873 GLY A C \n1369 O O . GLY A 181 ? 0.5353 0.6130 0.6267 -0.0591 -0.0055 0.0050 873 GLY A O \n1370 N N . GLY A 182 ? 0.4618 0.5441 0.5526 -0.0574 0.0018 0.0020 874 GLY A N \n1371 C CA . GLY A 182 ? 0.5354 0.6132 0.6255 -0.0509 0.0002 0.0005 874 GLY A CA \n1372 C C . GLY A 182 ? 0.5326 0.6163 0.6326 -0.0470 0.0001 -0.0003 874 GLY A C \n1373 O O . GLY A 182 ? 0.4218 0.5153 0.5312 -0.0477 0.0028 -0.0009 874 GLY A O \n1374 N N . LYS A 183 ? 0.4603 0.5380 0.5582 -0.0429 -0.0030 -0.0005 875 LYS A N \n1375 C CA . LYS A 183 ? 0.5038 0.5852 0.6093 -0.0393 -0.0037 -0.0012 875 LYS A CA \n1376 C C . LYS A 183 ? 0.5168 0.5968 0.6228 -0.0338 -0.0025 -0.0031 875 LYS A C \n1377 O O . LYS A 183 ? 0.4771 0.5517 0.5770 -0.0324 -0.0023 -0.0035 875 LYS A O \n1378 C CB . LYS A 183 ? 0.6708 0.7458 0.7730 -0.0398 -0.0086 0.0005 875 LYS A CB \n1379 C CG . LYS A 183 ? 0.7606 0.8365 0.8626 -0.0457 -0.0107 0.0028 875 LYS A CG \n1380 C CD . LYS A 183 ? 0.7992 0.8849 0.9128 -0.0468 -0.0105 0.0030 875 LYS A CD \n1381 C CE . LYS A 183 ? 0.8655 0.9518 0.9792 -0.0530 -0.0133 0.0056 875 LYS A CE \n1382 N NZ . LYS A 183 ? 0.8241 0.9172 0.9483 -0.0537 -0.0153 0.0063 875 LYS A NZ \n1383 N N . VAL A 184 ? 0.4556 0.5405 0.5692 -0.0308 -0.0019 -0.0041 876 VAL A N \n1384 C CA . VAL A 184 ? 0.4440 0.5281 0.5589 -0.0259 -0.0009 -0.0057 876 VAL A CA \n1385 C C . VAL A 184 ? 0.3896 0.4716 0.5065 -0.0234 -0.0035 -0.0053 876 VAL A C \n1386 O O . VAL A 184 ? 0.4569 0.5402 0.5764 -0.0253 -0.0058 -0.0043 876 VAL A O \n1387 C CB . VAL A 184 ? 0.3765 0.4680 0.4978 -0.0245 0.0028 -0.0077 876 VAL A CB \n1388 C CG1 . VAL A 184 ? 0.4138 0.5039 0.5300 -0.0259 0.0051 -0.0083 876 VAL A CG1 \n1389 C CG2 . VAL A 184 ? 0.4331 0.5334 0.5629 -0.0264 0.0042 -0.0080 876 VAL A CG2 \n1390 N N . PRO A 185 ? 0.3997 0.4778 0.5147 -0.0196 -0.0035 -0.0060 877 PRO A N \n1391 C CA . PRO A 185 ? 0.3479 0.4220 0.4622 -0.0175 -0.0059 -0.0056 877 PRO A CA \n1392 C C . PRO A 185 ? 0.3583 0.4380 0.4807 -0.0162 -0.0060 -0.0064 877 PRO A C \n1393 O O . PRO A 185 ? 0.3013 0.3809 0.4253 -0.0132 -0.0051 -0.0074 877 PRO A O \n1394 C CB . PRO A 185 ? 0.3924 0.4613 0.5022 -0.0142 -0.0049 -0.0060 877 PRO A CB \n1395 C CG . PRO A 185 ? 0.3646 0.4377 0.4770 -0.0138 -0.0021 -0.0072 877 PRO A CG \n1396 C CD . PRO A 185 ? 0.4643 0.5410 0.5772 -0.0174 -0.0015 -0.0070 877 PRO A CD \n1397 N N . ILE A 186 ? 0.2826 0.3670 0.4102 -0.0186 -0.0073 -0.0059 878 ILE A N \n1398 C CA . ILE A 186 ? 0.3351 0.4260 0.4719 -0.0173 -0.0074 -0.0070 878 ILE A CA \n1399 C C . ILE A 186 ? 0.2910 0.3776 0.4274 -0.0141 -0.0096 -0.0072 878 ILE A C \n1400 O O . ILE A 186 ? 0.2894 0.3799 0.4316 -0.0117 -0.0089 -0.0086 878 ILE A O \n1401 C CB . ILE A 186 ? 0.3264 0.4229 0.4697 -0.0205 -0.0093 -0.0060 878 ILE A CB \n1402 C CG1 . ILE A 186 ? 0.3768 0.4798 0.5224 -0.0237 -0.0060 -0.0061 878 ILE A CG1 \n1403 C CG2 . ILE A 186 ? 0.3291 0.4311 0.4820 -0.0184 -0.0106 -0.0070 878 ILE A CG2 \n1404 C CD1 . ILE A 186 ? 0.4177 0.5295 0.5707 -0.0222 -0.0015 -0.0084 878 ILE A CD1 \n1405 N N . LYS A 187 ? 0.3059 0.3839 0.4348 -0.0142 -0.0125 -0.0058 879 LYS A N \n1406 C CA . LYS A 187 ? 0.2655 0.3382 0.3926 -0.0119 -0.0149 -0.0057 879 LYS A CA \n1407 C C . LYS A 187 ? 0.2496 0.3199 0.3741 -0.0089 -0.0122 -0.0067 879 LYS A C \n1408 O O . LYS A 187 ? 0.3014 0.3677 0.4244 -0.0071 -0.0136 -0.0067 879 LYS A O \n1409 C CB . LYS A 187 ? 0.3044 0.3677 0.4233 -0.0132 -0.0187 -0.0039 879 LYS A CB \n1410 C CG . LYS A 187 ? 0.4207 0.4863 0.5439 -0.0162 -0.0228 -0.0027 879 LYS A CG \n1411 C CD . LYS A 187 ? 0.4529 0.5080 0.5661 -0.0180 -0.0266 -0.0008 879 LYS A CD \n1412 C CE . LYS A 187 ? 0.3576 0.4147 0.4755 -0.0214 -0.0314 0.0006 879 LYS A CE \n1413 N NZ . LYS A 187 ? 0.3886 0.4340 0.4956 -0.0232 -0.0359 0.0025 879 LYS A NZ \n1414 N N . TRP A 188 ? 0.2492 0.3218 0.3731 -0.0086 -0.0088 -0.0074 880 TRP A N \n1415 C CA . TRP A 188 ? 0.3357 0.4076 0.4588 -0.0061 -0.0063 -0.0082 880 TRP A CA \n1416 C C . TRP A 188 ? 0.3177 0.3968 0.4477 -0.0053 -0.0042 -0.0099 880 TRP A C \n1417 O O . TRP A 188 ? 0.3613 0.4399 0.4913 -0.0035 -0.0028 -0.0107 880 TRP A O \n1418 C CB . TRP A 188 ? 0.2820 0.3500 0.3989 -0.0061 -0.0046 -0.0077 880 TRP A CB \n1419 C CG . TRP A 188 ? 0.3075 0.3672 0.4168 -0.0054 -0.0058 -0.0066 880 TRP A CG \n1420 C CD1 . TRP A 188 ? 0.3092 0.3646 0.4150 -0.0034 -0.0046 -0.0064 880 TRP A CD1 \n1421 C CD2 . TRP A 188 ? 0.3521 0.4065 0.4560 -0.0070 -0.0084 -0.0054 880 TRP A CD2 \n1422 N NE1 . TRP A 188 ? 0.3136 0.3612 0.4117 -0.0033 -0.0058 -0.0054 880 TRP A NE1 \n1423 C CE2 . TRP A 188 ? 0.3401 0.3865 0.4365 -0.0054 -0.0084 -0.0048 880 TRP A CE2 \n1424 C CE3 . TRP A 188 ? 0.3467 0.4023 0.4511 -0.0098 -0.0106 -0.0047 880 TRP A CE3 \n1425 C CZ2 . TRP A 188 ? 0.3533 0.3916 0.4417 -0.0062 -0.0108 -0.0038 880 TRP A CZ2 \n1426 C CZ3 . TRP A 188 ? 0.3428 0.3906 0.4398 -0.0110 -0.0136 -0.0034 880 TRP A CZ3 \n1427 C CH2 . TRP A 188 ? 0.2822 0.3212 0.3710 -0.0090 -0.0138 -0.0031 880 TRP A CH2 \n1428 N N . MET A 189 ? 0.2739 0.3593 0.4094 -0.0067 -0.0040 -0.0106 881 MET A N \n1429 C CA . MET A 189 ? 0.2628 0.3543 0.4031 -0.0060 -0.0012 -0.0124 881 MET A CA \n1430 C C . MET A 189 ? 0.2804 0.3752 0.4271 -0.0037 -0.0017 -0.0139 881 MET A C \n1431 O O . MET A 189 ? 0.2816 0.3772 0.4321 -0.0034 -0.0044 -0.0136 881 MET A O \n1432 C CB . MET A 189 ? 0.2925 0.3892 0.4348 -0.0088 0.0004 -0.0125 881 MET A CB \n1433 C CG . MET A 189 ? 0.3302 0.4235 0.4656 -0.0109 0.0014 -0.0114 881 MET A CG \n1434 S SD . MET A 189 ? 0.3900 0.4880 0.5268 -0.0152 0.0023 -0.0108 881 MET A SD \n1435 C CE . MET A 189 ? 0.3248 0.4309 0.4676 -0.0146 0.0065 -0.0132 881 MET A CE \n1436 N N . ALA A 190 ? 0.2680 0.3642 0.4158 -0.0019 0.0002 -0.0155 882 ALA A N \n1437 C CA . ALA A 190 ? 0.2123 0.3113 0.3659 0.0007 -0.0003 -0.0173 882 ALA A CA \n1438 C C . ALA A 190 ? 0.2428 0.3498 0.4041 0.0002 0.0007 -0.0185 882 ALA A C \n1439 O O . ALA A 190 ? 0.2364 0.3471 0.3976 -0.0020 0.0031 -0.0183 882 ALA A O \n1440 C CB . ALA A 190 ? 0.1870 0.2851 0.3392 0.0024 0.0016 -0.0188 882 ALA A CB \n1441 N N . LEU A 191 ? 0.2775 0.3873 0.4455 0.0025 -0.0010 -0.0197 883 LEU A N \n1442 C CA . LEU A 191 ? 0.2827 0.4014 0.4599 0.0024 0.0000 -0.0209 883 LEU A CA \n1443 C C . LEU A 191 ? 0.3034 0.4277 0.4818 0.0023 0.0053 -0.0228 883 LEU A C \n1444 O O . LEU A 191 ? 0.2609 0.3916 0.4430 0.0000 0.0077 -0.0227 883 LEU A O \n1445 C CB . LEU A 191 ? 0.2667 0.3873 0.4516 0.0057 -0.0030 -0.0222 883 LEU A CB \n1446 C CG . LEU A 191 ? 0.2574 0.3879 0.4540 0.0058 -0.0027 -0.0231 883 LEU A CG \n1447 C CD1 . LEU A 191 ? 0.3202 0.4530 0.5173 0.0014 -0.0034 -0.0207 883 LEU A CD1 \n1448 C CD2 . LEU A 191 ? 0.2599 0.3904 0.4634 0.0091 -0.0073 -0.0240 883 LEU A CD2 \n1449 N N . GLU A 192 ? 0.1794 0.3005 0.3538 0.0044 0.0070 -0.0244 884 GLU A N \n1450 C CA . GLU A 192 ? 0.1909 0.3153 0.3643 0.0043 0.0118 -0.0263 884 GLU A CA \n1451 C C . GLU A 192 ? 0.2346 0.3580 0.4015 0.0001 0.0141 -0.0247 884 GLU A C \n1452 O O . GLU A 192 ? 0.2105 0.3377 0.3770 -0.0012 0.0181 -0.0258 884 GLU A O \n1453 C CB . GLU A 192 ? 0.2434 0.3636 0.4134 0.0075 0.0123 -0.0283 884 GLU A CB \n1454 C CG . GLU A 192 ? 0.2629 0.3745 0.4240 0.0066 0.0106 -0.0268 884 GLU A CG \n1455 C CD . GLU A 192 ? 0.2790 0.3854 0.4393 0.0076 0.0063 -0.0252 884 GLU A CD \n1456 O OE1 . GLU A 192 ? 0.2264 0.3342 0.3916 0.0085 0.0037 -0.0249 884 GLU A OE1 \n1457 O OE2 . GLU A 192 ? 0.2177 0.3181 0.3721 0.0071 0.0053 -0.0241 884 GLU A OE2 \n1458 N N . SER A 193 ? 0.2973 0.4149 0.4585 -0.0017 0.0115 -0.0222 885 SER A N \n1459 C CA . SER A 193 ? 0.2356 0.3513 0.3905 -0.0054 0.0127 -0.0206 885 SER A CA \n1460 C C . SER A 193 ? 0.2550 0.3762 0.4139 -0.0086 0.0131 -0.0195 885 SER A C \n1461 O O . SER A 193 ? 0.2761 0.3991 0.4325 -0.0117 0.0158 -0.0192 885 SER A O \n1462 C CB . SER A 193 ? 0.2489 0.3569 0.3974 -0.0059 0.0098 -0.0185 885 SER A CB \n1463 O OG . SER A 193 ? 0.2896 0.3934 0.4354 -0.0034 0.0093 -0.0192 885 SER A OG \n1464 N N . ILE A 194 ? 0.2248 0.3478 0.3894 -0.0081 0.0101 -0.0187 886 ILE A N \n1465 C CA . ILE A 194 ? 0.2811 0.4095 0.4510 -0.0111 0.0095 -0.0174 886 ILE A CA \n1466 C C . ILE A 194 ? 0.2770 0.4151 0.4545 -0.0114 0.0138 -0.0193 886 ILE A C \n1467 O O . ILE A 194 ? 0.3094 0.4513 0.4867 -0.0153 0.0163 -0.0184 886 ILE A O \n1468 C CB . ILE A 194 ? 0.3578 0.4856 0.5325 -0.0101 0.0046 -0.0164 886 ILE A CB \n1469 C CG1 . ILE A 194 ? 0.3072 0.4248 0.4729 -0.0103 0.0011 -0.0145 886 ILE A CG1 \n1470 C CG2 . ILE A 194 ? 0.3112 0.4454 0.4928 -0.0134 0.0036 -0.0151 886 ILE A CG2 \n1471 C CD1 . ILE A 194 ? 0.2950 0.4095 0.4629 -0.0089 -0.0037 -0.0136 886 ILE A CD1 \n1472 N N . LEU A 195 ? 0.2906 0.4324 0.4742 -0.0073 0.0151 -0.0219 887 LEU A N \n1473 C CA . LEU A 195 ? 0.3182 0.4701 0.5106 -0.0067 0.0194 -0.0241 887 LEU A CA \n1474 C C . LEU A 195 ? 0.3433 0.4957 0.5302 -0.0074 0.0253 -0.0257 887 LEU A C \n1475 O O . LEU A 195 ? 0.2164 0.3764 0.4078 -0.0093 0.0296 -0.0264 887 LEU A O \n1476 C CB . LEU A 195 ? 0.2674 0.4231 0.4692 -0.0015 0.0182 -0.0264 887 LEU A CB \n1477 C CG . LEU A 195 ? 0.3812 0.5361 0.5887 -0.0007 0.0120 -0.0249 887 LEU A CG \n1478 C CD1 . LEU A 195 ? 0.3693 0.5250 0.5834 0.0046 0.0099 -0.0273 887 LEU A CD1 \n1479 C CD2 . LEU A 195 ? 0.3279 0.4907 0.5440 -0.0042 0.0111 -0.0232 887 LEU A CD2 \n1480 N N . HIS A 196 ? 0.2235 0.3676 0.4005 -0.0064 0.0253 -0.0262 888 HIS A N \n1481 C CA . HIS A 196 ? 0.2116 0.3547 0.3828 -0.0065 0.0302 -0.0281 888 HIS A CA \n1482 C C . HIS A 196 ? 0.2601 0.3939 0.4187 -0.0088 0.0296 -0.0268 888 HIS A C \n1483 O O . HIS A 196 ? 0.2582 0.3890 0.4104 -0.0086 0.0325 -0.0283 888 HIS A O \n1484 C CB . HIS A 196 ? 0.2642 0.4072 0.4376 -0.0011 0.0313 -0.0314 888 HIS A CB \n1485 C CG . HIS A 196 ? 0.2815 0.4343 0.4675 0.0016 0.0330 -0.0335 888 HIS A CG \n1486 N ND1 . HIS A 196 ? 0.3202 0.4817 0.5112 0.0006 0.0388 -0.0350 888 HIS A ND1 \n1487 C CD2 . HIS A 196 ? 0.2806 0.4359 0.4755 0.0053 0.0295 -0.0342 888 HIS A CD2 \n1488 C CE1 . HIS A 196 ? 0.3149 0.4847 0.5185 0.0040 0.0389 -0.0366 888 HIS A CE1 \n1489 N NE2 . HIS A 196 ? 0.3203 0.4861 0.5262 0.0069 0.0329 -0.0362 888 HIS A NE2 \n1490 N N . ARG A 197 ? 0.2220 0.3511 0.3772 -0.0107 0.0255 -0.0240 889 ARG A N \n1491 C CA . ARG A 197 ? 0.3218 0.4424 0.4663 -0.0128 0.0242 -0.0225 889 ARG A CA \n1492 C C . ARG A 197 ? 0.2542 0.3690 0.3942 -0.0097 0.0237 -0.0239 889 ARG A C \n1493 O O . ARG A 197 ? 0.2898 0.3990 0.4216 -0.0111 0.0242 -0.0238 889 ARG A O \n1494 C CB . ARG A 197 ? 0.3107 0.4315 0.4495 -0.0173 0.0274 -0.0220 889 ARG A CB \n1495 C CG . ARG A 197 ? 0.3310 0.4577 0.4744 -0.0210 0.0279 -0.0203 889 ARG A CG \n1496 C CD . ARG A 197 ? 0.4083 0.5334 0.5441 -0.0261 0.0306 -0.0194 889 ARG A CD \n1497 N NE . ARG A 197 ? 0.3870 0.5168 0.5263 -0.0304 0.0304 -0.0173 889 ARG A NE \n1498 C CZ . ARG A 197 ? 0.5005 0.6383 0.6441 -0.0335 0.0349 -0.0176 889 ARG A CZ \n1499 N NH1 . ARG A 197 ? 0.3863 0.5280 0.5305 -0.0324 0.0405 -0.0201 889 ARG A NH1 \n1500 N NH2 . ARG A 197 ? 0.4104 0.5519 0.5573 -0.0378 0.0339 -0.0152 889 ARG A NH2 \n1501 N N . ILE A 198 ? 0.2439 0.3596 0.3892 -0.0058 0.0222 -0.0252 890 ILE A N \n1502 C CA . ILE A 198 ? 0.2918 0.4016 0.4333 -0.0030 0.0209 -0.0262 890 ILE A CA \n1503 C C . ILE A 198 ? 0.2535 0.3579 0.3926 -0.0031 0.0168 -0.0239 890 ILE A C \n1504 O O . ILE A 198 ? 0.2518 0.3573 0.3951 -0.0024 0.0145 -0.0228 890 ILE A O \n1505 C CB . ILE A 198 ? 0.2880 0.4004 0.4356 0.0012 0.0209 -0.0286 890 ILE A CB \n1506 C CG1 . ILE A 198 ? 0.3485 0.4661 0.4983 0.0021 0.0256 -0.0314 890 ILE A CG1 \n1507 C CG2 . ILE A 198 ? 0.2516 0.3569 0.3949 0.0035 0.0185 -0.0291 890 ILE A CG2 \n1508 C CD1 . ILE A 198 ? 0.2529 0.3755 0.4117 0.0063 0.0257 -0.0338 890 ILE A CD1 \n1509 N N . TYR A 199 ? 0.2700 0.3684 0.4023 -0.0039 0.0159 -0.0232 891 TYR A N \n1510 C CA . TYR A 199 ? 0.3025 0.3962 0.4329 -0.0037 0.0127 -0.0212 891 TYR A CA \n1511 C C . TYR A 199 ? 0.2632 0.3523 0.3910 -0.0022 0.0116 -0.0217 891 TYR A C \n1512 O O . TYR A 199 ? 0.3002 0.3866 0.4231 -0.0030 0.0124 -0.0225 891 TYR A O \n1513 C CB . TYR A 199 ? 0.3225 0.4135 0.4479 -0.0066 0.0122 -0.0193 891 TYR A CB \n1514 C CG . TYR A 199 ? 0.3393 0.4329 0.4660 -0.0087 0.0122 -0.0181 891 TYR A CG \n1515 C CD1 . TYR A 199 ? 0.3133 0.4057 0.4414 -0.0082 0.0099 -0.0165 891 TYR A CD1 \n1516 C CD2 . TYR A 199 ? 0.3412 0.4380 0.4671 -0.0114 0.0146 -0.0185 891 TYR A CD2 \n1517 C CE1 . TYR A 199 ? 0.4019 0.4955 0.5302 -0.0103 0.0093 -0.0153 891 TYR A CE1 \n1518 C CE2 . TYR A 199 ? 0.3614 0.4602 0.4883 -0.0138 0.0142 -0.0170 891 TYR A CE2 \n1519 C CZ . TYR A 199 ? 0.3740 0.4710 0.5020 -0.0132 0.0112 -0.0154 891 TYR A CZ \n1520 O OH . TYR A 199 ? 0.4616 0.5594 0.5897 -0.0157 0.0102 -0.0139 891 TYR A OH \n1521 N N . THR A 200 ? 0.2709 0.3588 0.4014 -0.0002 0.0095 -0.0213 892 THR A N \n1522 C CA . THR A 200 ? 0.2838 0.3673 0.4125 0.0008 0.0078 -0.0214 892 THR A CA \n1523 C C . THR A 200 ? 0.2458 0.3276 0.3758 0.0009 0.0057 -0.0193 892 THR A C \n1524 O O . THR A 200 ? 0.2389 0.3221 0.3704 0.0005 0.0056 -0.0181 892 THR A O \n1525 C CB . THR A 200 ? 0.2441 0.3279 0.3752 0.0035 0.0077 -0.0235 892 THR A CB \n1526 O OG1 . THR A 200 ? 0.2600 0.3458 0.3958 0.0048 0.0064 -0.0230 892 THR A OG1 \n1527 C CG2 . THR A 200 ? 0.3017 0.3885 0.4328 0.0041 0.0107 -0.0261 892 THR A CG2 \n1528 N N . HIS A 201 ? 0.2657 0.3440 0.3949 0.0014 0.0040 -0.0187 893 HIS A N \n1529 C CA . HIS A 201 ? 0.3067 0.3839 0.4376 0.0015 0.0026 -0.0168 893 HIS A CA \n1530 C C . HIS A 201 ? 0.2350 0.3129 0.3684 0.0028 0.0022 -0.0169 893 HIS A C \n1531 O O . HIS A 201 ? 0.2163 0.2936 0.3500 0.0026 0.0019 -0.0153 893 HIS A O \n1532 C CB . HIS A 201 ? 0.2608 0.3348 0.3910 0.0011 0.0009 -0.0159 893 HIS A CB \n1533 C CG . HIS A 201 ? 0.2817 0.3544 0.4095 -0.0002 0.0006 -0.0155 893 HIS A CG \n1534 N ND1 . HIS A 201 ? 0.2949 0.3683 0.4230 -0.0011 0.0007 -0.0140 893 HIS A ND1 \n1535 C CD2 . HIS A 201 ? 0.3002 0.3703 0.4247 -0.0008 0.0000 -0.0166 893 HIS A CD2 \n1536 C CE1 . HIS A 201 ? 0.2813 0.3526 0.4066 -0.0023 -0.0001 -0.0140 893 HIS A CE1 \n1537 N NE2 . HIS A 201 ? 0.3474 0.4165 0.4702 -0.0023 -0.0007 -0.0154 893 HIS A NE2 \n1538 N N . GLN A 202 ? 0.2662 0.3453 0.4011 0.0043 0.0022 -0.0189 894 GLN A N \n1539 C CA . GLN A 202 ? 0.3008 0.3805 0.4384 0.0057 0.0011 -0.0192 894 GLN A CA \n1540 C C . GLN A 202 ? 0.2660 0.3491 0.4055 0.0052 0.0018 -0.0189 894 GLN A C \n1541 O O . GLN A 202 ? 0.2166 0.2987 0.3572 0.0056 0.0002 -0.0182 894 GLN A O \n1542 C CB . GLN A 202 ? 0.2712 0.3506 0.4104 0.0080 0.0003 -0.0216 894 GLN A CB \n1543 C CG . GLN A 202 ? 0.2451 0.3195 0.3817 0.0084 -0.0013 -0.0216 894 GLN A CG \n1544 C CD . GLN A 202 ? 0.3119 0.3828 0.4476 0.0074 -0.0032 -0.0192 894 GLN A CD \n1545 O OE1 . GLN A 202 ? 0.2739 0.3437 0.4081 0.0056 -0.0030 -0.0173 894 GLN A OE1 \n1546 N NE2 . GLN A 202 ? 0.2825 0.3516 0.4191 0.0085 -0.0052 -0.0192 894 GLN A NE2 \n1547 N N . SER A 203 ? 0.2305 0.3167 0.3698 0.0039 0.0037 -0.0193 895 SER A N \n1548 C CA . SER A 203 ? 0.2693 0.3576 0.4093 0.0026 0.0039 -0.0183 895 SER A CA \n1549 C C . SER A 203 ? 0.2776 0.3623 0.4141 0.0014 0.0032 -0.0160 895 SER A C \n1550 O O . SER A 203 ? 0.2485 0.3325 0.3848 0.0011 0.0022 -0.0150 895 SER A O \n1551 C CB . SER A 203 ? 0.3224 0.4150 0.4630 0.0011 0.0061 -0.0191 895 SER A CB \n1552 O OG . SER A 203 ? 0.2522 0.3429 0.3883 -0.0004 0.0073 -0.0187 895 SER A OG \n1553 N N . ASP A 204 ? 0.2664 0.3487 0.4003 0.0011 0.0036 -0.0152 896 ASP A N \n1554 C CA . ASP A 204 ? 0.2404 0.3196 0.3717 0.0007 0.0033 -0.0133 896 ASP A CA \n1555 C C . ASP A 204 ? 0.1875 0.2642 0.3189 0.0016 0.0023 -0.0125 896 ASP A C \n1556 O O . ASP A 204 ? 0.2167 0.2909 0.3457 0.0014 0.0022 -0.0113 896 ASP A O \n1557 C CB . ASP A 204 ? 0.2905 0.3686 0.4209 0.0004 0.0037 -0.0127 896 ASP A CB \n1558 C CG . ASP A 204 ? 0.3267 0.4052 0.4550 -0.0008 0.0042 -0.0128 896 ASP A CG \n1559 O OD1 . ASP A 204 ? 0.2851 0.3625 0.4128 -0.0011 0.0038 -0.0125 896 ASP A OD1 \n1560 O OD2 . ASP A 204 ? 0.2647 0.3443 0.3917 -0.0019 0.0046 -0.0130 896 ASP A OD2 \n1561 N N . VAL A 205 ? 0.1864 0.2627 0.3196 0.0026 0.0014 -0.0133 897 VAL A N \n1562 C CA . VAL A 205 ? 0.1757 0.2486 0.3080 0.0032 0.0000 -0.0126 897 VAL A CA \n1563 C C . VAL A 205 ? 0.2591 0.3309 0.3907 0.0033 -0.0012 -0.0124 897 VAL A C \n1564 O O . VAL A 205 ? 0.2232 0.2909 0.3514 0.0030 -0.0018 -0.0110 897 VAL A O \n1565 C CB . VAL A 205 ? 0.1789 0.2506 0.3127 0.0042 -0.0015 -0.0136 897 VAL A CB \n1566 C CG1 . VAL A 205 ? 0.1852 0.2526 0.3174 0.0046 -0.0035 -0.0129 897 VAL A CG1 \n1567 C CG2 . VAL A 205 ? 0.2414 0.3121 0.3747 0.0035 -0.0009 -0.0130 897 VAL A CG2 \n1568 N N . TRP A 206 ? 0.1984 0.2739 0.3332 0.0035 -0.0017 -0.0137 898 TRP A N \n1569 C CA . TRP A 206 ? 0.2443 0.3194 0.3794 0.0032 -0.0035 -0.0133 898 TRP A CA \n1570 C C . TRP A 206 ? 0.2272 0.2994 0.3576 0.0018 -0.0030 -0.0116 898 TRP A C \n1571 O O . TRP A 206 ? 0.2115 0.2788 0.3382 0.0016 -0.0047 -0.0105 898 TRP A O \n1572 C CB . TRP A 206 ? 0.2139 0.2952 0.3546 0.0033 -0.0034 -0.0149 898 TRP A CB \n1573 C CG . TRP A 206 ? 0.1837 0.2658 0.3263 0.0026 -0.0056 -0.0144 898 TRP A CG \n1574 C CD1 . TRP A 206 ? 0.2347 0.3144 0.3738 0.0008 -0.0064 -0.0128 898 TRP A CD1 \n1575 C CD2 . TRP A 206 ? 0.2264 0.3119 0.3755 0.0038 -0.0078 -0.0156 898 TRP A CD2 \n1576 N NE1 . TRP A 206 ? 0.2215 0.3027 0.3644 0.0004 -0.0093 -0.0127 898 TRP A NE1 \n1577 C CE2 . TRP A 206 ? 0.2218 0.3071 0.3715 0.0023 -0.0101 -0.0144 898 TRP A CE2 \n1578 C CE3 . TRP A 206 ? 0.2560 0.3445 0.4105 0.0062 -0.0082 -0.0176 898 TRP A CE3 \n1579 C CZ2 . TRP A 206 ? 0.2724 0.3612 0.4291 0.0030 -0.0130 -0.0150 898 TRP A CZ2 \n1580 C CZ3 . TRP A 206 ? 0.2655 0.3578 0.4272 0.0073 -0.0107 -0.0185 898 TRP A CZ3 \n1581 C CH2 . TRP A 206 ? 0.2477 0.3402 0.4107 0.0056 -0.0131 -0.0171 898 TRP A CH2 \n1582 N N . SER A 207 ? 0.2085 0.2825 0.3379 0.0009 -0.0009 -0.0115 899 SER A N \n1583 C CA . SER A 207 ? 0.2061 0.2771 0.3308 0.0000 -0.0005 -0.0102 899 SER A CA \n1584 C C . SER A 207 ? 0.2428 0.3088 0.3633 0.0007 0.0001 -0.0090 899 SER A C \n1585 O O . SER A 207 ? 0.2326 0.2940 0.3480 0.0005 0.0000 -0.0080 899 SER A O \n1586 C CB . SER A 207 ? 0.2226 0.2961 0.3471 -0.0009 0.0010 -0.0103 899 SER A CB \n1587 O OG . SER A 207 ? 0.3026 0.3809 0.4306 -0.0019 0.0010 -0.0114 899 SER A OG \n1588 N N . TYR A 208 ? 0.2420 0.3087 0.3642 0.0014 0.0011 -0.0091 900 TYR A N \n1589 C CA . TYR A 208 ? 0.2237 0.2863 0.3428 0.0018 0.0022 -0.0079 900 TYR A CA \n1590 C C . TYR A 208 ? 0.2569 0.3143 0.3721 0.0018 0.0005 -0.0074 900 TYR A C \n1591 O O . TYR A 208 ? 0.2346 0.2873 0.3444 0.0017 0.0016 -0.0063 900 TYR A O \n1592 C CB . TYR A 208 ? 0.2786 0.3430 0.4007 0.0019 0.0030 -0.0080 900 TYR A CB \n1593 C CG . TYR A 208 ? 0.2518 0.3129 0.3715 0.0018 0.0045 -0.0065 900 TYR A CG \n1594 C CD1 . TYR A 208 ? 0.2530 0.3102 0.3705 0.0015 0.0032 -0.0060 900 TYR A CD1 \n1595 C CD2 . TYR A 208 ? 0.3118 0.3738 0.4316 0.0019 0.0072 -0.0056 900 TYR A CD2 \n1596 C CE1 . TYR A 208 ? 0.3283 0.3825 0.4431 0.0008 0.0050 -0.0045 900 TYR A CE1 \n1597 C CE2 . TYR A 208 ? 0.2675 0.3274 0.3859 0.0016 0.0093 -0.0042 900 TYR A CE2 \n1598 C CZ . TYR A 208 ? 0.3254 0.3813 0.4408 0.0008 0.0084 -0.0036 900 TYR A CZ \n1599 O OH . TYR A 208 ? 0.3145 0.3683 0.4279 0.0000 0.0108 -0.0021 900 TYR A OH \n1600 N N . GLY A 209 ? 0.2667 0.3246 0.3842 0.0019 -0.0021 -0.0082 901 GLY A N \n1601 C CA . GLY A 209 ? 0.2484 0.3005 0.3621 0.0018 -0.0047 -0.0076 901 GLY A CA \n1602 C C . GLY A 209 ? 0.2556 0.3041 0.3645 0.0012 -0.0055 -0.0068 901 GLY A C \n1603 O O . GLY A 209 ? 0.2543 0.2957 0.3565 0.0009 -0.0063 -0.0058 901 GLY A O \n1604 N N . VAL A 210 ? 0.2625 0.3151 0.3742 0.0007 -0.0057 -0.0073 902 VAL A N \n1605 C CA . VAL A 210 ? 0.2244 0.2733 0.3314 -0.0001 -0.0071 -0.0066 902 VAL A CA \n1606 C C . VAL A 210 ? 0.2572 0.3008 0.3569 0.0002 -0.0044 -0.0057 902 VAL A C \n1607 O O . VAL A 210 ? 0.2896 0.3259 0.3819 0.0000 -0.0053 -0.0048 902 VAL A O \n1608 C CB . VAL A 210 ? 0.2599 0.3144 0.3714 -0.0012 -0.0077 -0.0071 902 VAL A CB \n1609 C CG1 . VAL A 210 ? 0.2876 0.3371 0.3938 -0.0026 -0.0101 -0.0060 902 VAL A CG1 \n1610 C CG2 . VAL A 210 ? 0.2210 0.2817 0.3407 -0.0011 -0.0094 -0.0082 902 VAL A CG2 \n1611 N N . THR A 211 ? 0.2530 0.3003 0.3550 0.0008 -0.0012 -0.0059 903 THR A N \n1612 C CA . THR A 211 ? 0.2645 0.3083 0.3615 0.0017 0.0017 -0.0053 903 THR A CA \n1613 C C . THR A 211 ? 0.2164 0.2538 0.3074 0.0021 0.0028 -0.0045 903 THR A C \n1614 O O . THR A 211 ? 0.2578 0.2885 0.3411 0.0025 0.0037 -0.0039 903 THR A O \n1615 C CB . THR A 211 ? 0.2349 0.2845 0.3372 0.0024 0.0044 -0.0057 903 THR A CB \n1616 O OG1 . THR A 211 ? 0.2518 0.3059 0.3578 0.0017 0.0033 -0.0064 903 THR A OG1 \n1617 C CG2 . THR A 211 ? 0.2580 0.3053 0.3570 0.0038 0.0075 -0.0052 903 THR A CG2 \n1618 N N . VAL A 212 ? 0.2426 0.2813 0.3365 0.0018 0.0028 -0.0044 904 VAL A N \n1619 C CA . VAL A 212 ? 0.2678 0.3003 0.3557 0.0016 0.0037 -0.0034 904 VAL A CA \n1620 C C . VAL A 212 ? 0.3394 0.3633 0.4191 0.0010 0.0007 -0.0030 904 VAL A C \n1621 O O . VAL A 212 ? 0.2939 0.3104 0.3649 0.0010 0.0023 -0.0022 904 VAL A O \n1622 C CB . VAL A 212 ? 0.2888 0.3234 0.3808 0.0010 0.0030 -0.0034 904 VAL A CB \n1623 C CG1 . VAL A 212 ? 0.3699 0.3967 0.4545 0.0001 0.0031 -0.0022 904 VAL A CG1 \n1624 C CG2 . VAL A 212 ? 0.3306 0.3718 0.4290 0.0012 0.0060 -0.0034 904 VAL A CG2 \n1625 N N . TRP A 213 ? 0.2856 0.3104 0.3680 0.0005 -0.0037 -0.0035 905 TRP A N \n1626 C CA . TRP A 213 ? 0.2986 0.3156 0.3743 -0.0002 -0.0075 -0.0029 905 TRP A CA \n1627 C C . TRP A 213 ? 0.2931 0.3046 0.3609 0.0000 -0.0063 -0.0025 905 TRP A C \n1628 O O . TRP A 213 ? 0.3043 0.3058 0.3618 -0.0003 -0.0071 -0.0018 905 TRP A O \n1629 C CB . TRP A 213 ? 0.3086 0.3302 0.3915 -0.0007 -0.0122 -0.0035 905 TRP A CB \n1630 C CG . TRP A 213 ? 0.3462 0.3602 0.4237 -0.0018 -0.0174 -0.0028 905 TRP A CG \n1631 C CD1 . TRP A 213 ? 0.3501 0.3587 0.4256 -0.0022 -0.0216 -0.0024 905 TRP A CD1 \n1632 C CD2 . TRP A 213 ? 0.3405 0.3508 0.4139 -0.0028 -0.0198 -0.0022 905 TRP A CD2 \n1633 N NE1 . TRP A 213 ? 0.3245 0.3263 0.3950 -0.0033 -0.0264 -0.0015 905 TRP A NE1 \n1634 C CE2 . TRP A 213 ? 0.3770 0.3799 0.4463 -0.0038 -0.0254 -0.0014 905 TRP A CE2 \n1635 C CE3 . TRP A 213 ? 0.3516 0.3636 0.4242 -0.0031 -0.0182 -0.0022 905 TRP A CE3 \n1636 C CZ2 . TRP A 213 ? 0.3816 0.3788 0.4460 -0.0053 -0.0295 -0.0005 905 TRP A CZ2 \n1637 C CZ3 . TRP A 213 ? 0.3452 0.3513 0.4125 -0.0045 -0.0221 -0.0014 905 TRP A CZ3 \n1638 C CH2 . TRP A 213 ? 0.3738 0.3728 0.4373 -0.0057 -0.0277 -0.0005 905 TRP A CH2 \n1639 N N . GLU A 214 ? 0.2689 0.2858 0.3406 0.0004 -0.0046 -0.0030 906 GLU A N \n1640 C CA . GLU A 214 ? 0.3126 0.3240 0.3769 0.0009 -0.0037 -0.0028 906 GLU A CA \n1641 C C . GLU A 214 ? 0.3525 0.3579 0.4089 0.0023 0.0005 -0.0026 906 GLU A C \n1642 O O . GLU A 214 ? 0.3749 0.3710 0.4210 0.0027 0.0005 -0.0022 906 GLU A O \n1643 C CB . GLU A 214 ? 0.3406 0.3589 0.4104 0.0014 -0.0021 -0.0035 906 GLU A CB \n1644 C CG . GLU A 214 ? 0.3056 0.3293 0.3816 -0.0001 -0.0055 -0.0037 906 GLU A CG \n1645 C CD . GLU A 214 ? 0.2970 0.3255 0.3762 0.0000 -0.0038 -0.0042 906 GLU A CD \n1646 O OE1 . GLU A 214 ? 0.3344 0.3583 0.4081 -0.0002 -0.0050 -0.0039 906 GLU A OE1 \n1647 O OE2 . GLU A 214 ? 0.3234 0.3593 0.4098 0.0004 -0.0018 -0.0048 906 GLU A OE2 \n1648 N N . LEU A 215 ? 0.3417 0.3524 0.4031 0.0030 0.0044 -0.0027 907 LEU A N \n1649 C CA . LEU A 215 ? 0.3738 0.3807 0.4296 0.0042 0.0094 -0.0023 907 LEU A CA \n1650 C C . LEU A 215 ? 0.3713 0.3676 0.4163 0.0032 0.0087 -0.0015 907 LEU A C \n1651 O O . LEU A 215 ? 0.3895 0.3773 0.4240 0.0041 0.0110 -0.0013 907 LEU A O \n1652 C CB . LEU A 215 ? 0.3539 0.3695 0.4188 0.0045 0.0130 -0.0023 907 LEU A CB \n1653 C CG . LEU A 215 ? 0.3402 0.3647 0.4141 0.0056 0.0141 -0.0030 907 LEU A CG \n1654 C CD1 . LEU A 215 ? 0.3761 0.4074 0.4573 0.0058 0.0176 -0.0027 907 LEU A CD1 \n1655 C CD2 . LEU A 215 ? 0.3543 0.3759 0.4240 0.0076 0.0155 -0.0035 907 LEU A CD2 \n1656 N N . MET A 216 ? 0.4067 0.4030 0.4538 0.0015 0.0053 -0.0010 908 MET A N \n1657 C CA . MET A 216 ? 0.4104 0.3966 0.4477 0.0002 0.0039 -0.0001 908 MET A CA \n1658 C C . MET A 216 ? 0.4198 0.3949 0.4463 -0.0003 -0.0003 0.0001 908 MET A C \n1659 O O . MET A 216 ? 0.4184 0.3826 0.4337 -0.0013 -0.0011 0.0009 908 MET A O \n1660 C CB . MET A 216 ? 0.3638 0.3527 0.4068 -0.0011 0.0004 0.0001 908 MET A CB \n1661 C CG . MET A 216 ? 0.3814 0.3793 0.4335 -0.0011 0.0037 0.0000 908 MET A CG \n1662 S SD . MET A 216 ? 0.4694 0.4642 0.5153 -0.0015 0.0107 0.0012 908 MET A SD \n1663 C CE . MET A 216 ? 0.4280 0.4357 0.4878 -0.0014 0.0135 0.0011 908 MET A CE \n1664 N N . THR A 217 ? 0.4389 0.4162 0.4685 0.0000 -0.0035 -0.0003 909 THR A N \n1665 C CA . THR A 217 ? 0.4027 0.3697 0.4226 -0.0008 -0.0081 0.0000 909 THR A CA \n1666 C C . THR A 217 ? 0.4574 0.4193 0.4692 0.0007 -0.0048 -0.0003 909 THR A C \n1667 O O . THR A 217 ? 0.4372 0.3901 0.4403 0.0003 -0.0083 0.0000 909 THR A O \n1668 C CB . THR A 217 ? 0.3820 0.3542 0.4101 -0.0019 -0.0141 0.0000 909 THR A CB \n1669 O OG1 . THR A 217 ? 0.4039 0.3859 0.4407 -0.0011 -0.0119 -0.0007 909 THR A OG1 \n1670 C CG2 . THR A 217 ? 0.4312 0.4083 0.4678 -0.0030 -0.0179 0.0001 909 THR A CG2 \n1671 N N . PHE A 218 ? 0.4201 0.3877 0.4353 0.0027 0.0015 -0.0009 910 PHE A N \n1672 C CA . PHE A 218 ? 0.5089 0.4731 0.5182 0.0050 0.0051 -0.0017 910 PHE A CA \n1673 C C . PHE A 218 ? 0.4800 0.4459 0.4920 0.0049 0.0011 -0.0020 910 PHE A C \n1674 O O . PHE A 218 ? 0.4512 0.4083 0.4535 0.0058 0.0002 -0.0022 910 PHE A O \n1675 C CB . PHE A 218 ? 0.5081 0.4577 0.5008 0.0055 0.0068 -0.0014 910 PHE A CB \n1676 C CG . PHE A 218 ? 0.4744 0.4225 0.4641 0.0051 0.0112 -0.0009 910 PHE A CG \n1677 C CD1 . PHE A 218 ? 0.5609 0.5151 0.5545 0.0069 0.0188 -0.0014 910 PHE A CD1 \n1678 C CD2 . PHE A 218 ? 0.5242 0.4647 0.5075 0.0025 0.0075 0.0001 910 PHE A CD2 \n1679 C CE1 . PHE A 218 ? 0.5072 0.4603 0.4983 0.0059 0.0230 -0.0006 910 PHE A CE1 \n1680 C CE2 . PHE A 218 ? 0.5194 0.4576 0.4989 0.0016 0.0114 0.0008 910 PHE A CE2 \n1681 C CZ . PHE A 218 ? 0.5210 0.4657 0.5043 0.0031 0.0194 0.0005 910 PHE A CZ \n1682 N N . GLY A 219 ? 0.3825 0.3592 0.4070 0.0038 -0.0010 -0.0021 911 GLY A N \n1683 C CA . GLY A 219 ? 0.3826 0.3628 0.4111 0.0033 -0.0037 -0.0023 911 GLY A CA \n1684 C C . GLY A 219 ? 0.3959 0.3723 0.4225 0.0007 -0.0104 -0.0015 911 GLY A C \n1685 O O . GLY A 219 ? 0.3953 0.3699 0.4200 0.0001 -0.0128 -0.0014 911 GLY A O \n1686 N N . SER A 220 ? 0.4351 0.4103 0.4626 -0.0009 -0.0138 -0.0008 912 SER A N \n1687 C CA . SER A 220 ? 0.4092 0.3841 0.4392 -0.0036 -0.0204 0.0000 912 SER A CA \n1688 C C . SER A 220 ? 0.3741 0.3617 0.4173 -0.0046 -0.0210 -0.0003 912 SER A C \n1689 O O . SER A 220 ? 0.3525 0.3497 0.4044 -0.0036 -0.0173 -0.0012 912 SER A O \n1690 C CB . SER A 220 ? 0.4691 0.4409 0.4990 -0.0047 -0.0242 0.0006 912 SER A CB \n1691 O OG . SER A 220 ? 0.4822 0.4405 0.4979 -0.0044 -0.0243 0.0011 912 SER A OG \n1692 N N . LYS A 221 ? 0.4242 0.4114 0.4685 -0.0071 -0.0260 0.0004 913 LYS A N \n1693 C CA . LYS A 221 ? 0.4383 0.4369 0.4943 -0.0088 -0.0267 0.0003 913 LYS A CA \n1694 C C . LYS A 221 ? 0.4370 0.4437 0.5039 -0.0096 -0.0287 0.0001 913 LYS A C \n1695 O O . LYS A 221 ? 0.3920 0.3943 0.4578 -0.0108 -0.0336 0.0010 913 LYS A O \n1696 C CB . LYS A 221 ? 0.4642 0.4587 0.5165 -0.0115 -0.0311 0.0015 913 LYS A CB \n1697 C CG . LYS A 221 ? 0.5168 0.5046 0.5598 -0.0107 -0.0295 0.0014 913 LYS A CG \n1698 C CD . LYS A 221 ? 0.6868 0.6690 0.7250 -0.0139 -0.0348 0.0028 913 LYS A CD \n1699 C CE . LYS A 221 ? 0.7861 0.7795 0.8356 -0.0170 -0.0358 0.0033 913 LYS A CE \n1700 N NZ . LYS A 221 ? 0.9970 0.9850 1.0419 -0.0208 -0.0412 0.0050 913 LYS A NZ \n1701 N N . PRO A 222 ? 0.4009 0.4187 0.4782 -0.0087 -0.0253 -0.0009 914 PRO A N \n1702 C CA . PRO A 222 ? 0.3311 0.3559 0.4184 -0.0087 -0.0269 -0.0014 914 PRO A CA \n1703 C C . PRO A 222 ? 0.3990 0.4284 0.4934 -0.0113 -0.0314 -0.0007 914 PRO A C \n1704 O O . PRO A 222 ? 0.3790 0.4121 0.4752 -0.0133 -0.0311 -0.0003 914 PRO A O \n1705 C CB . PRO A 222 ? 0.3862 0.4207 0.4812 -0.0073 -0.0219 -0.0028 914 PRO A CB \n1706 C CG . PRO A 222 ? 0.3979 0.4332 0.4902 -0.0078 -0.0192 -0.0028 914 PRO A CG \n1707 C CD . PRO A 222 ? 0.3830 0.4067 0.4630 -0.0076 -0.0203 -0.0018 914 PRO A CD \n1708 N N . TYR A 223 ? 0.3786 0.4078 0.4770 -0.0115 -0.0358 -0.0004 915 TYR A N \n1709 C CA . TYR A 223 ? 0.3816 0.4160 0.4884 -0.0139 -0.0404 0.0002 915 TYR A CA \n1710 C C . TYR A 223 ? 0.4591 0.4876 0.5592 -0.0170 -0.0433 0.0020 915 TYR A C \n1711 O O . TYR A 223 ? 0.5290 0.5647 0.6359 -0.0196 -0.0439 0.0025 915 TYR A O \n1712 C CB . TYR A 223 ? 0.3680 0.4170 0.4885 -0.0140 -0.0372 -0.0009 915 TYR A CB \n1713 C CG . TYR A 223 ? 0.3113 0.3658 0.4369 -0.0109 -0.0332 -0.0029 915 TYR A CG \n1714 C CD1 . TYR A 223 ? 0.3498 0.4063 0.4818 -0.0091 -0.0357 -0.0037 915 TYR A CD1 \n1715 C CD2 . TYR A 223 ? 0.3966 0.4536 0.5204 -0.0098 -0.0275 -0.0039 915 TYR A CD2 \n1716 C CE1 . TYR A 223 ? 0.3620 0.4227 0.4979 -0.0063 -0.0324 -0.0055 915 TYR A CE1 \n1717 C CE2 . TYR A 223 ? 0.3334 0.3947 0.4613 -0.0073 -0.0244 -0.0056 915 TYR A CE2 \n1718 C CZ . TYR A 223 ? 0.3187 0.3816 0.4522 -0.0056 -0.0268 -0.0064 915 TYR A CZ \n1719 O OH . TYR A 223 ? 0.3887 0.4551 0.5258 -0.0032 -0.0240 -0.0080 915 TYR A OH \n1720 N N . ASP A 224 ? 0.5151 0.5301 0.6012 -0.0168 -0.0448 0.0028 916 ASP A N \n1721 C CA . ASP A 224 ? 0.5830 0.5895 0.6598 -0.0192 -0.0478 0.0044 916 ASP A CA \n1722 C C . ASP A 224 ? 0.5812 0.5897 0.6643 -0.0227 -0.0546 0.0060 916 ASP A C \n1723 O O . ASP A 224 ? 0.5600 0.5678 0.6470 -0.0227 -0.0590 0.0064 916 ASP A O \n1724 C CB . ASP A 224 ? 0.6434 0.6340 0.7037 -0.0178 -0.0487 0.0047 916 ASP A CB \n1725 C CG . ASP A 224 ? 0.6817 0.6618 0.7302 -0.0196 -0.0511 0.0059 916 ASP A CG \n1726 O OD1 . ASP A 224 ? 0.7661 0.7321 0.8011 -0.0192 -0.0537 0.0065 916 ASP A OD1 \n1727 O OD2 . ASP A 224 ? 0.5865 0.5715 0.6381 -0.0214 -0.0504 0.0062 916 ASP A OD2 \n1728 N N . GLY A 225 ? 0.6830 0.6945 0.7678 -0.0259 -0.0555 0.0071 917 GLY A N \n1729 C CA . GLY A 225 ? 0.9298 0.9438 1.0211 -0.0300 -0.0618 0.0090 917 GLY A CA \n1730 C C . GLY A 225 ? 0.8729 0.9039 0.9827 -0.0311 -0.0605 0.0086 917 GLY A C \n1731 O O . GLY A 225 ? 0.7563 0.7930 0.8731 -0.0350 -0.0633 0.0101 917 GLY A O \n1732 N N . ILE A 226 ? 0.7571 0.7962 0.8746 -0.0276 -0.0562 0.0065 918 ILE A N \n1733 C CA . ILE A 226 ? 0.5624 0.6176 0.6970 -0.0276 -0.0538 0.0054 918 ILE A CA \n1734 C C . ILE A 226 ? 0.6378 0.7016 0.7757 -0.0295 -0.0482 0.0051 918 ILE A C \n1735 O O . ILE A 226 ? 0.6158 0.6769 0.7463 -0.0279 -0.0433 0.0040 918 ILE A O \n1736 C CB . ILE A 226 ? 0.6731 0.7322 0.8133 -0.0232 -0.0514 0.0032 918 ILE A CB \n1737 C CG1 . ILE A 226 ? 0.7936 0.8458 0.9331 -0.0223 -0.0582 0.0038 918 ILE A CG1 \n1738 C CG2 . ILE A 226 ? 0.5529 0.6280 0.7088 -0.0225 -0.0475 0.0016 918 ILE A CG2 \n1739 C CD1 . ILE A 226 ? 0.9994 1.0506 1.1395 -0.0180 -0.0567 0.0020 918 ILE A CD1 \n1740 N N . PRO A 227 ? 0.6265 0.7005 0.7753 -0.0331 -0.0490 0.0060 919 PRO A N \n1741 C CA . PRO A 227 ? 0.5769 0.6580 0.7276 -0.0355 -0.0440 0.0060 919 PRO A CA \n1742 C C . PRO A 227 ? 0.5006 0.5904 0.6568 -0.0322 -0.0369 0.0032 919 PRO A C \n1743 O O . PRO A 227 ? 0.3791 0.4759 0.5452 -0.0292 -0.0361 0.0016 919 PRO A O \n1744 C CB . PRO A 227 ? 0.5345 0.6259 0.6978 -0.0400 -0.0464 0.0076 919 PRO A CB \n1745 C CG . PRO A 227 ? 0.6697 0.7568 0.8356 -0.0403 -0.0541 0.0090 919 PRO A CG \n1746 C CD . PRO A 227 ? 0.6948 0.7748 0.8556 -0.0350 -0.0544 0.0072 919 PRO A CD \n1747 N N . ALA A 228 ? 0.4646 0.5533 0.6142 -0.0326 -0.0323 0.0028 920 ALA A N \n1748 C CA . ALA A 228 ? 0.5895 0.6847 0.7422 -0.0299 -0.0259 0.0004 920 ALA A CA \n1749 C C . ALA A 228 ? 0.5724 0.6819 0.7400 -0.0302 -0.0230 -0.0008 920 ALA A C \n1750 O O . ALA A 228 ? 0.4040 0.5184 0.5764 -0.0265 -0.0196 -0.0031 920 ALA A O \n1751 C CB . ALA A 228 ? 0.4500 0.5418 0.5939 -0.0313 -0.0225 0.0005 920 ALA A CB \n1752 N N . SER A 229 ? 0.4367 0.5529 0.6115 -0.0345 -0.0245 0.0007 921 SER A N \n1753 C CA . SER A 229 ? 0.3859 0.5166 0.5758 -0.0347 -0.0213 -0.0004 921 SER A CA \n1754 C C . SER A 229 ? 0.4132 0.5485 0.6137 -0.0305 -0.0235 -0.0019 921 SER A C \n1755 O O . SER A 229 ? 0.4524 0.5991 0.6648 -0.0288 -0.0199 -0.0038 921 SER A O \n1756 C CB . SER A 229 ? 0.4430 0.5803 0.6390 -0.0408 -0.0224 0.0019 921 SER A CB \n1757 O OG . SER A 229 ? 0.4650 0.5994 0.6640 -0.0425 -0.0297 0.0041 921 SER A OG \n1758 N N . GLU A 230 ? 0.3843 0.5101 0.5800 -0.0287 -0.0293 -0.0012 922 GLU A N \n1759 C CA . GLU A 230 ? 0.3692 0.4972 0.5734 -0.0249 -0.0326 -0.0024 922 GLU A CA \n1760 C C . GLU A 230 ? 0.3093 0.4321 0.5081 -0.0197 -0.0304 -0.0047 922 GLU A C \n1761 O O . GLU A 230 ? 0.3589 0.4832 0.5641 -0.0162 -0.0327 -0.0061 922 GLU A O \n1762 C CB . GLU A 230 ? 0.4492 0.5692 0.6514 -0.0264 -0.0410 0.0000 922 GLU A CB \n1763 C CG . GLU A 230 ? 0.6298 0.7560 0.8406 -0.0314 -0.0447 0.0023 922 GLU A CG \n1764 C CD . GLU A 230 ? 0.8229 0.9618 1.0526 -0.0303 -0.0466 0.0016 922 GLU A CD \n1765 O OE1 . GLU A 230 ? 1.0418 1.1820 1.2778 -0.0336 -0.0528 0.0039 922 GLU A OE1 \n1766 O OE2 . GLU A 230 ? 0.6964 0.8438 0.9349 -0.0262 -0.0423 -0.0012 922 GLU A OE2 \n1767 N N . ILE A 231 ? 0.3651 0.4822 0.5528 -0.0193 -0.0265 -0.0051 923 ILE A N \n1768 C CA . ILE A 231 ? 0.2896 0.4007 0.4713 -0.0150 -0.0251 -0.0068 923 ILE A CA \n1769 C C . ILE A 231 ? 0.2475 0.3669 0.4386 -0.0112 -0.0218 -0.0097 923 ILE A C \n1770 O O . ILE A 231 ? 0.3079 0.4240 0.4996 -0.0078 -0.0241 -0.0107 923 ILE A O \n1771 C CB . ILE A 231 ? 0.3691 0.4725 0.5378 -0.0153 -0.0218 -0.0065 923 ILE A CB \n1772 C CG1 . ILE A 231 ? 0.3609 0.4530 0.5184 -0.0174 -0.0259 -0.0042 923 ILE A CG1 \n1773 C CG2 . ILE A 231 ? 0.3133 0.4137 0.4786 -0.0113 -0.0194 -0.0084 923 ILE A CG2 \n1774 C CD1 . ILE A 231 ? 0.3295 0.4124 0.4823 -0.0156 -0.0307 -0.0036 923 ILE A CD1 \n1775 N N . SER A 232 ? 0.2474 0.3767 0.4447 -0.0119 -0.0165 -0.0110 924 SER A N \n1776 C CA . SER A 232 ? 0.3373 0.4737 0.5427 -0.0080 -0.0132 -0.0140 924 SER A CA \n1777 C C . SER A 232 ? 0.3233 0.4644 0.5406 -0.0054 -0.0174 -0.0148 924 SER A C \n1778 O O . SER A 232 ? 0.2494 0.3900 0.4691 -0.0011 -0.0177 -0.0169 924 SER A O \n1779 C CB . SER A 232 ? 0.3770 0.5230 0.5867 -0.0094 -0.0067 -0.0152 924 SER A CB \n1780 O OG . SER A 232 ? 0.4008 0.5566 0.6213 -0.0122 -0.0068 -0.0144 924 SER A OG \n1781 N N . SER A 233 ? 0.3645 0.5099 0.5894 -0.0081 -0.0213 -0.0130 925 SER A N \n1782 C CA . SER A 233 ? 0.3453 0.4953 0.5824 -0.0053 -0.0258 -0.0139 925 SER A CA \n1783 C C . SER A 233 ? 0.3232 0.4611 0.5533 -0.0031 -0.0322 -0.0133 925 SER A C \n1784 O O . SER A 233 ? 0.3018 0.4398 0.5371 0.0010 -0.0345 -0.0151 925 SER A O \n1785 C CB . SER A 233 ? 0.4625 0.6213 0.7116 -0.0088 -0.0286 -0.0121 925 SER A CB \n1786 O OG . SER A 233 ? 0.5599 0.7102 0.8006 -0.0131 -0.0334 -0.0088 925 SER A OG \n1787 N N . ILE A 234 ? 0.3309 0.4573 0.5478 -0.0057 -0.0348 -0.0109 926 ILE A N \n1788 C CA . ILE A 234 ? 0.4040 0.5173 0.6111 -0.0042 -0.0398 -0.0102 926 ILE A CA \n1789 C C . ILE A 234 ? 0.3330 0.4431 0.5359 -0.0001 -0.0369 -0.0124 926 ILE A C \n1790 O O . ILE A 234 ? 0.3135 0.4201 0.5182 0.0029 -0.0407 -0.0133 926 ILE A O \n1791 C CB . ILE A 234 ? 0.4687 0.5711 0.6618 -0.0078 -0.0415 -0.0074 926 ILE A CB \n1792 C CG1 . ILE A 234 ? 0.5209 0.6210 0.7167 -0.0106 -0.0488 -0.0051 926 ILE A CG1 \n1793 C CG2 . ILE A 234 ? 0.5683 0.6582 0.7473 -0.0062 -0.0414 -0.0074 926 ILE A CG2 \n1794 C CD1 . ILE A 234 ? 0.6916 0.7819 0.8747 -0.0145 -0.0505 -0.0025 926 ILE A CD1 \n1795 N N . LEU A 235 ? 0.3673 0.4783 0.5647 -0.0001 -0.0306 -0.0133 927 LEU A N \n1796 C CA . LEU A 235 ? 0.3098 0.4185 0.5038 0.0032 -0.0276 -0.0153 927 LEU A CA \n1797 C C . LEU A 235 ? 0.2829 0.3989 0.4882 0.0072 -0.0275 -0.0181 927 LEU A C \n1798 O O . LEU A 235 ? 0.3000 0.4108 0.5032 0.0103 -0.0293 -0.0193 927 LEU A O \n1799 C CB . LEU A 235 ? 0.2930 0.4030 0.4813 0.0021 -0.0212 -0.0158 927 LEU A CB \n1800 C CG . LEU A 235 ? 0.3192 0.4211 0.4957 -0.0007 -0.0210 -0.0134 927 LEU A CG \n1801 C CD1 . LEU A 235 ? 0.3372 0.4409 0.5093 -0.0016 -0.0153 -0.0139 927 LEU A CD1 \n1802 C CD2 . LEU A 235 ? 0.3026 0.3933 0.4701 0.0004 -0.0241 -0.0126 927 LEU A CD2 \n1803 N N . GLU A 236 ? 0.3537 0.4815 0.5708 0.0070 -0.0252 -0.0192 928 GLU A N \n1804 C CA . GLU A 236 ? 0.3738 0.5098 0.6029 0.0112 -0.0245 -0.0222 928 GLU A CA \n1805 C C . GLU A 236 ? 0.4014 0.5346 0.6364 0.0138 -0.0318 -0.0222 928 GLU A C \n1806 O O . GLU A 236 ? 0.3668 0.5009 0.6066 0.0183 -0.0326 -0.0247 928 GLU A O \n1807 C CB . GLU A 236 ? 0.3825 0.5325 0.6235 0.0100 -0.0200 -0.0231 928 GLU A CB \n1808 C CG . GLU A 236 ? 0.4376 0.5914 0.6746 0.0090 -0.0121 -0.0243 928 GLU A CG \n1809 C CD . GLU A 236 ? 0.7449 0.9105 0.9904 0.0059 -0.0078 -0.0240 928 GLU A CD \n1810 O OE1 . GLU A 236 ? 0.8096 0.9807 1.0555 0.0063 -0.0011 -0.0260 928 GLU A OE1 \n1811 O OE2 . GLU A 236 ? 0.6572 0.8261 0.9083 0.0027 -0.0111 -0.0218 928 GLU A OE2 \n1812 N N . LYS A 237 ? 0.3971 0.5260 0.6309 0.0110 -0.0376 -0.0195 929 LYS A N \n1813 C CA . LYS A 237 ? 0.4089 0.5329 0.6464 0.0130 -0.0457 -0.0192 929 LYS A CA \n1814 C C . LYS A 237 ? 0.4814 0.5910 0.7058 0.0144 -0.0490 -0.0189 929 LYS A C \n1815 O O . LYS A 237 ? 0.4509 0.5543 0.6760 0.0162 -0.0559 -0.0187 929 LYS A O \n1816 C CB . LYS A 237 ? 0.5132 0.6365 0.7531 0.0092 -0.0513 -0.0163 929 LYS A CB \n1817 C CG . LYS A 237 ? 0.3792 0.5176 0.6348 0.0076 -0.0496 -0.0164 929 LYS A CG \n1818 C CD . LYS A 237 ? 0.7216 0.8580 0.9785 0.0033 -0.0558 -0.0131 929 LYS A CD \n1819 C CE . LYS A 237 ? 0.8811 1.0133 1.1438 0.0052 -0.0653 -0.0126 929 LYS A CE \n1820 N NZ . LYS A 237 ? 0.8529 0.9825 1.1168 0.0007 -0.0722 -0.0093 929 LYS A NZ \n1821 N N . GLY A 238 ? 0.3690 0.4731 0.5814 0.0135 -0.0443 -0.0187 930 GLY A N \n1822 C CA . GLY A 238 ? 0.4023 0.4936 0.6022 0.0142 -0.0462 -0.0182 930 GLY A CA \n1823 C C . GLY A 238 ? 0.4049 0.4849 0.5916 0.0107 -0.0484 -0.0151 930 GLY A C \n1824 O O . GLY A 238 ? 0.4413 0.5104 0.6172 0.0108 -0.0499 -0.0144 930 GLY A O \n1825 N N . GLU A 239 ? 0.3176 0.3997 0.5045 0.0074 -0.0486 -0.0133 931 GLU A N \n1826 C CA . GLU A 239 ? 0.3345 0.4052 0.5084 0.0043 -0.0509 -0.0106 931 GLU A CA \n1827 C C . GLU A 239 ? 0.2811 0.3485 0.4443 0.0032 -0.0447 -0.0103 931 GLU A C \n1828 O O . GLU A 239 ? 0.2834 0.3590 0.4505 0.0033 -0.0390 -0.0114 931 GLU A O \n1829 C CB . GLU A 239 ? 0.3812 0.4543 0.5582 0.0011 -0.0537 -0.0088 931 GLU A CB \n1830 C CG . GLU A 239 ? 0.5529 0.6132 0.7156 -0.0018 -0.0564 -0.0062 931 GLU A CG \n1831 C CD . GLU A 239 ? 0.7991 0.8607 0.9648 -0.0051 -0.0605 -0.0043 931 GLU A CD \n1832 O OE1 . GLU A 239 ? 0.5916 0.6628 0.7715 -0.0050 -0.0632 -0.0047 931 GLU A OE1 \n1833 O OE2 . GLU A 239 ? 0.6145 0.6674 0.7686 -0.0078 -0.0609 -0.0024 931 GLU A OE2 \n1834 N N . ARG A 240 ? 0.3370 0.3922 0.4871 0.0023 -0.0458 -0.0088 932 ARG A N \n1835 C CA . ARG A 240 ? 0.2919 0.3436 0.4323 0.0017 -0.0401 -0.0085 932 ARG A CA \n1836 C C . ARG A 240 ? 0.3610 0.4019 0.4887 -0.0006 -0.0412 -0.0063 932 ARG A C \n1837 O O . ARG A 240 ? 0.3586 0.3928 0.4831 -0.0017 -0.0468 -0.0050 932 ARG A O \n1838 C CB . ARG A 240 ? 0.2782 0.3264 0.4157 0.0038 -0.0389 -0.0094 932 ARG A CB \n1839 C CG . ARG A 240 ? 0.2771 0.3344 0.4244 0.0064 -0.0365 -0.0119 932 ARG A CG \n1840 C CD . ARG A 240 ? 0.2802 0.3471 0.4322 0.0060 -0.0307 -0.0128 932 ARG A CD \n1841 N NE . ARG A 240 ? 0.2848 0.3588 0.4443 0.0085 -0.0284 -0.0153 932 ARG A NE \n1842 C CZ . ARG A 240 ? 0.4712 0.5539 0.6418 0.0102 -0.0289 -0.0170 932 ARG A CZ \n1843 N NH1 . ARG A 240 ? 0.3682 0.4558 0.5437 0.0128 -0.0263 -0.0194 932 ARG A NH1 \n1844 N NH2 . ARG A 240 ? 0.2781 0.3644 0.4549 0.0092 -0.0320 -0.0164 932 ARG A NH2 \n1845 N N . LEU A 241 ? 0.3078 0.3466 0.4280 -0.0012 -0.0361 -0.0059 933 LEU A N \n1846 C CA . LEU A 241 ? 0.2899 0.3176 0.3970 -0.0027 -0.0364 -0.0041 933 LEU A CA \n1847 C C . LEU A 241 ? 0.3058 0.3227 0.4047 -0.0023 -0.0394 -0.0034 933 LEU A C \n1848 O O . LEU A 241 ? 0.3728 0.3908 0.4740 -0.0009 -0.0387 -0.0043 933 LEU A O \n1849 C CB . LEU A 241 ? 0.3298 0.3583 0.4320 -0.0027 -0.0300 -0.0042 933 LEU A CB \n1850 C CG . LEU A 241 ? 0.3165 0.3533 0.4242 -0.0035 -0.0275 -0.0046 933 LEU A CG \n1851 C CD1 . LEU A 241 ? 0.2743 0.3138 0.3803 -0.0028 -0.0215 -0.0051 933 LEU A CD1 \n1852 C CD2 . LEU A 241 ? 0.2660 0.2977 0.3685 -0.0057 -0.0305 -0.0031 933 LEU A CD2 \n1853 N N . PRO A 242 ? 0.3400 0.3455 0.4284 -0.0038 -0.0431 -0.0019 934 PRO A N \n1854 C CA . PRO A 242 ? 0.3738 0.3673 0.4527 -0.0040 -0.0467 -0.0010 934 PRO A CA \n1855 C C . PRO A 242 ? 0.3860 0.3737 0.4550 -0.0038 -0.0414 -0.0007 934 PRO A C \n1856 O O . PRO A 242 ? 0.3631 0.3536 0.4301 -0.0037 -0.0355 -0.0008 934 PRO A O \n1857 C CB . PRO A 242 ? 0.4855 0.4687 0.5552 -0.0060 -0.0515 0.0005 934 PRO A CB \n1858 C CG . PRO A 242 ? 0.4641 0.4511 0.5333 -0.0067 -0.0477 0.0006 934 PRO A CG \n1859 C CD . PRO A 242 ? 0.4178 0.4205 0.5020 -0.0057 -0.0444 -0.0008 934 PRO A CD \n1860 N N . GLN A 243 ? 0.3725 0.3520 0.4355 -0.0039 -0.0438 -0.0002 935 GLN A N \n1861 C CA . GLN A 243 ? 0.3597 0.3326 0.4125 -0.0044 -0.0391 0.0004 935 GLN A CA \n1862 C C . GLN A 243 ? 0.4123 0.3765 0.4521 -0.0055 -0.0361 0.0014 935 GLN A C \n1863 O O . GLN A 243 ? 0.4729 0.4268 0.5038 -0.0067 -0.0406 0.0024 935 GLN A O \n1864 C CB . GLN A 243 ? 0.4106 0.3739 0.4573 -0.0050 -0.0433 0.0010 935 GLN A CB \n1865 C CG . GLN A 243 ? 0.4792 0.4350 0.5146 -0.0062 -0.0384 0.0021 935 GLN A CG \n1866 C CD . GLN A 243 ? 0.5311 0.4771 0.5601 -0.0073 -0.0429 0.0029 935 GLN A CD \n1867 O OE1 . GLN A 243 ? 0.4912 0.4363 0.5251 -0.0066 -0.0498 0.0024 935 GLN A OE1 \n1868 N NE2 . GLN A 243 ? 0.4526 0.3909 0.4705 -0.0090 -0.0389 0.0041 935 GLN A NE2 \n1869 N N . PRO A 244 ? 0.4594 0.4274 0.4979 -0.0050 -0.0287 0.0012 936 PRO A N \n1870 C CA . PRO A 244 ? 0.5057 0.4650 0.5315 -0.0055 -0.0253 0.0020 936 PRO A CA \n1871 C C . PRO A 244 ? 0.4791 0.4243 0.4903 -0.0069 -0.0259 0.0032 936 PRO A C \n1872 O O . PRO A 244 ? 0.4662 0.4112 0.4781 -0.0074 -0.0254 0.0035 936 PRO A O \n1873 C CB . PRO A 244 ? 0.4335 0.4017 0.4640 -0.0042 -0.0175 0.0013 936 PRO A CB \n1874 C CG . PRO A 244 ? 0.4068 0.3886 0.4528 -0.0033 -0.0181 0.0001 936 PRO A CG \n1875 C CD . PRO A 244 ? 0.4467 0.4272 0.4960 -0.0038 -0.0236 0.0002 936 PRO A CD \n1876 N N . PRO A 245 ? 0.5087 0.4411 0.5060 -0.0077 -0.0275 0.0040 937 PRO A N \n1877 C CA . PRO A 245 ? 0.5432 0.4601 0.5243 -0.0094 -0.0283 0.0052 937 PRO A CA \n1878 C C . PRO A 245 ? 0.5480 0.4646 0.5246 -0.0098 -0.0208 0.0056 937 PRO A C \n1879 O O . PRO A 245 ? 0.5174 0.4251 0.4857 -0.0116 -0.0221 0.0066 937 PRO A O \n1880 C CB . PRO A 245 ? 0.6300 0.5356 0.5977 -0.0096 -0.0290 0.0056 937 PRO A CB \n1881 C CG . PRO A 245 ? 0.6278 0.5407 0.6057 -0.0090 -0.0335 0.0050 937 PRO A CG \n1882 C CD . PRO A 245 ? 0.5241 0.4550 0.5202 -0.0076 -0.0303 0.0038 937 PRO A CD \n1883 N N . ILE A 246 ? 0.4624 0.3885 0.4447 -0.0082 -0.0132 0.0048 938 ILE A N \n1884 C CA . ILE A 246 ? 0.5111 0.4384 0.4909 -0.0087 -0.0057 0.0053 938 ILE A CA \n1885 C C . ILE A 246 ? 0.4991 0.4352 0.4899 -0.0094 -0.0059 0.0055 938 ILE A C \n1886 O O . ILE A 246 ? 0.5462 0.4816 0.5341 -0.0108 -0.0012 0.0064 938 ILE A O \n1887 C CB . ILE A 246 ? 0.4503 0.3843 0.4324 -0.0066 0.0023 0.0045 938 ILE A CB \n1888 C CG1 . ILE A 246 ? 0.4676 0.4175 0.4670 -0.0048 0.0028 0.0033 938 ILE A CG1 \n1889 C CG2 . ILE A 246 ? 0.4951 0.4185 0.4642 -0.0056 0.0030 0.0042 938 ILE A CG2 \n1890 C CD1 . ILE A 246 ? 0.4473 0.4052 0.4513 -0.0028 0.0106 0.0027 938 ILE A CD1 \n1891 N N . CYS A 247 ? 0.4487 0.3927 0.4517 -0.0087 -0.0111 0.0047 939 CYS A N \n1892 C CA . CYS A 247 ? 0.4063 0.3590 0.4199 -0.0088 -0.0109 0.0046 939 CYS A CA \n1893 C C . CYS A 247 ? 0.4783 0.4225 0.4869 -0.0106 -0.0163 0.0055 939 CYS A C \n1894 O O . CYS A 247 ? 0.4223 0.3602 0.4285 -0.0107 -0.0235 0.0054 939 CYS A O \n1895 C CB . CYS A 247 ? 0.4085 0.3738 0.4375 -0.0069 -0.0134 0.0030 939 CYS A CB \n1896 S SG . CYS A 247 ? 0.4672 0.4438 0.5041 -0.0049 -0.0079 0.0019 939 CYS A SG \n1897 N N . THR A 248 ? 0.4268 0.3711 0.4347 -0.0122 -0.0135 0.0064 940 THR A N \n1898 C CA . THR A 248 ? 0.4738 0.4124 0.4804 -0.0135 -0.0195 0.0069 940 THR A CA \n1899 C C . THR A 248 ? 0.4529 0.4015 0.4741 -0.0112 -0.0242 0.0052 940 THR A C \n1900 O O . THR A 248 ? 0.4292 0.3897 0.4614 -0.0092 -0.0214 0.0039 940 THR A O \n1901 C CB . THR A 248 ? 0.4720 0.4094 0.4756 -0.0160 -0.0157 0.0083 940 THR A CB \n1902 O OG1 . THR A 248 ? 0.5134 0.4647 0.5296 -0.0150 -0.0107 0.0077 940 THR A OG1 \n1903 C CG2 . THR A 248 ? 0.5448 0.4722 0.5334 -0.0186 -0.0103 0.0101 940 THR A CG2 \n1904 N N . ILE A 249 ? 0.4422 0.3856 0.4634 -0.0113 -0.0311 0.0051 941 ILE A N \n1905 C CA . ILE A 249 ? 0.4685 0.4208 0.5033 -0.0088 -0.0354 0.0033 941 ILE A CA \n1906 C C . ILE A 249 ? 0.3739 0.3375 0.4188 -0.0080 -0.0310 0.0025 941 ILE A C \n1907 O O . ILE A 249 ? 0.4088 0.3826 0.4655 -0.0055 -0.0315 0.0006 941 ILE A O \n1908 C CB . ILE A 249 ? 0.5309 0.4744 0.5633 -0.0086 -0.0441 0.0032 941 ILE A CB \n1909 C CG1 . ILE A 249 ? 0.5203 0.4730 0.5671 -0.0052 -0.0487 0.0009 941 ILE A CG1 \n1910 C CG2 . ILE A 249 ? 0.4799 0.4164 0.5060 -0.0108 -0.0446 0.0044 941 ILE A CG2 \n1911 C CD1 . ILE A 249 ? 0.5661 0.5217 0.6170 -0.0039 -0.0513 0.0002 941 ILE A CD1 \n1912 N N . ASP A 250 ? 0.4504 0.4121 0.4907 -0.0103 -0.0267 0.0039 942 ASP A N \n1913 C CA . ASP A 250 ? 0.4483 0.4198 0.4973 -0.0101 -0.0227 0.0036 942 ASP A CA \n1914 C C . ASP A 250 ? 0.4059 0.3893 0.4639 -0.0082 -0.0180 0.0024 942 ASP A C \n1915 O O . ASP A 250 ? 0.3842 0.3769 0.4524 -0.0066 -0.0176 0.0010 942 ASP A O \n1916 C CB . ASP A 250 ? 0.4351 0.4026 0.4771 -0.0135 -0.0182 0.0058 942 ASP A CB \n1917 C CG . ASP A 250 ? 0.7314 0.6852 0.7615 -0.0162 -0.0222 0.0075 942 ASP A CG \n1918 O OD1 . ASP A 250 ? 0.7083 0.6600 0.7396 -0.0171 -0.0256 0.0077 942 ASP A OD1 \n1919 O OD2 . ASP A 250 ? 0.7888 0.7329 0.8076 -0.0175 -0.0225 0.0085 942 ASP A OD2 \n1920 N N . VAL A 251 ? 0.3904 0.3725 0.4435 -0.0084 -0.0145 0.0029 943 VAL A N \n1921 C CA . VAL A 251 ? 0.4005 0.3923 0.4606 -0.0067 -0.0103 0.0019 943 VAL A CA \n1922 C C . VAL A 251 ? 0.3956 0.3920 0.4626 -0.0045 -0.0144 0.0001 943 VAL A C \n1923 O O . VAL A 251 ? 0.3553 0.3615 0.4318 -0.0030 -0.0130 -0.0011 943 VAL A O \n1924 C CB . VAL A 251 ? 0.4723 0.4608 0.5246 -0.0073 -0.0053 0.0028 943 VAL A CB \n1925 C CG1 . VAL A 251 ? 0.4211 0.4182 0.4801 -0.0053 -0.0025 0.0017 943 VAL A CG1 \n1926 C CG2 . VAL A 251 ? 0.4546 0.4418 0.5030 -0.0094 0.0000 0.0045 943 VAL A CG2 \n1927 N N . TYR A 252 ? 0.3898 0.3791 0.4520 -0.0044 -0.0194 0.0001 944 TYR A N \n1928 C CA . TYR A 252 ? 0.3769 0.3711 0.4468 -0.0026 -0.0235 -0.0013 944 TYR A CA \n1929 C C . TYR A 252 ? 0.3481 0.3498 0.4287 -0.0009 -0.0257 -0.0030 944 TYR A C \n1930 O O . TYR A 252 ? 0.3501 0.3607 0.4398 0.0006 -0.0255 -0.0045 944 TYR A O \n1931 C CB . TYR A 252 ? 0.3798 0.3645 0.4429 -0.0031 -0.0292 -0.0007 944 TYR A CB \n1932 C CG . TYR A 252 ? 0.3995 0.3896 0.4709 -0.0017 -0.0333 -0.0019 944 TYR A CG \n1933 C CD1 . TYR A 252 ? 0.4645 0.4512 0.5382 -0.0011 -0.0404 -0.0023 944 TYR A CD1 \n1934 C CD2 . TYR A 252 ? 0.3556 0.3542 0.4328 -0.0011 -0.0303 -0.0026 944 TYR A CD2 \n1935 C CE1 . TYR A 252 ? 0.4129 0.4057 0.4955 0.0000 -0.0440 -0.0033 944 TYR A CE1 \n1936 C CE2 . TYR A 252 ? 0.3535 0.3574 0.4384 -0.0004 -0.0338 -0.0035 944 TYR A CE2 \n1937 C CZ . TYR A 252 ? 0.3918 0.3934 0.4799 0.0000 -0.0404 -0.0038 944 TYR A CZ \n1938 O OH . TYR A 252 ? 0.3729 0.3809 0.4701 0.0006 -0.0436 -0.0045 944 TYR A OH \n1939 N N . MET A 253 ? 0.3341 0.3315 0.4130 -0.0013 -0.0277 -0.0027 945 MET A N \n1940 C CA . MET A 253 ? 0.3745 0.3777 0.4624 0.0005 -0.0298 -0.0045 945 MET A CA \n1941 C C . MET A 253 ? 0.4277 0.4414 0.5232 0.0013 -0.0248 -0.0055 945 MET A C \n1942 O O . MET A 253 ? 0.3191 0.3397 0.4229 0.0034 -0.0257 -0.0074 945 MET A O \n1943 C CB . MET A 253 ? 0.4580 0.4539 0.5413 -0.0002 -0.0324 -0.0038 945 MET A CB \n1944 C CG . MET A 253 ? 0.6840 0.6707 0.7634 0.0001 -0.0396 -0.0038 945 MET A CG \n1945 S SD . MET A 253 ? 0.8264 0.8198 0.9181 0.0042 -0.0448 -0.0067 945 MET A SD \n1946 C CE . MET A 253 ? 0.3997 0.3933 0.4910 0.0038 -0.0461 -0.0062 945 MET A CE \n1947 N N . ILE A 254 ? 0.3490 0.3635 0.4413 -0.0003 -0.0197 -0.0041 946 ILE A N \n1948 C CA . ILE A 254 ? 0.3593 0.3830 0.4583 0.0002 -0.0157 -0.0049 946 ILE A CA \n1949 C C . ILE A 254 ? 0.2666 0.2970 0.3711 0.0016 -0.0151 -0.0063 946 ILE A C \n1950 O O . ILE A 254 ? 0.2907 0.3281 0.4023 0.0029 -0.0146 -0.0079 946 ILE A O \n1951 C CB . ILE A 254 ? 0.4030 0.4269 0.4986 -0.0015 -0.0104 -0.0032 946 ILE A CB \n1952 C CG1 . ILE A 254 ? 0.4918 0.5097 0.5824 -0.0036 -0.0105 -0.0015 946 ILE A CG1 \n1953 C CG2 . ILE A 254 ? 0.4208 0.4537 0.5237 -0.0009 -0.0071 -0.0039 946 ILE A CG2 \n1954 C CD1 . ILE A 254 ? 0.4936 0.5123 0.5817 -0.0055 -0.0050 0.0002 946 ILE A CD1 \n1955 N N . MET A 255 ? 0.2721 0.2998 0.3724 0.0011 -0.0150 -0.0055 947 MET A N \n1956 C CA . MET A 255 ? 0.3375 0.3705 0.4419 0.0018 -0.0148 -0.0064 947 MET A CA \n1957 C C . MET A 255 ? 0.3105 0.3476 0.4224 0.0034 -0.0187 -0.0082 947 MET A C \n1958 O O . MET A 255 ? 0.3151 0.3602 0.4341 0.0042 -0.0174 -0.0095 947 MET A O \n1959 C CB . MET A 255 ? 0.3529 0.3795 0.4500 0.0009 -0.0158 -0.0052 947 MET A CB \n1960 C CG . MET A 255 ? 0.4305 0.4561 0.5225 0.0002 -0.0111 -0.0042 947 MET A CG \n1961 S SD . MET A 255 ? 0.4945 0.5092 0.5749 -0.0007 -0.0128 -0.0029 947 MET A SD \n1962 C CE . MET A 255 ? 0.4628 0.4691 0.5341 -0.0018 -0.0106 -0.0014 947 MET A CE \n1963 N N . VAL A 256 ? 0.3054 0.3368 0.4157 0.0038 -0.0232 -0.0081 948 VAL A N \n1964 C CA . VAL A 256 ? 0.3051 0.3404 0.4234 0.0058 -0.0272 -0.0099 948 VAL A CA \n1965 C C . VAL A 256 ? 0.2706 0.3128 0.3961 0.0076 -0.0255 -0.0119 948 VAL A C \n1966 O O . VAL A 256 ? 0.2795 0.3292 0.4130 0.0091 -0.0254 -0.0137 948 VAL A O \n1967 C CB . VAL A 256 ? 0.3994 0.4260 0.5141 0.0061 -0.0333 -0.0095 948 VAL A CB \n1968 C CG1 . VAL A 256 ? 0.3537 0.3849 0.4780 0.0089 -0.0372 -0.0116 948 VAL A CG1 \n1969 C CG2 . VAL A 256 ? 0.3693 0.3897 0.4779 0.0045 -0.0357 -0.0078 948 VAL A CG2 \n1970 N N . LYS A 257 ? 0.2985 0.3381 0.4208 0.0072 -0.0240 -0.0116 949 LYS A N \n1971 C CA . LYS A 257 ? 0.2857 0.3302 0.4128 0.0086 -0.0223 -0.0132 949 LYS A CA \n1972 C C . LYS A 257 ? 0.2561 0.3089 0.3874 0.0085 -0.0179 -0.0140 949 LYS A C \n1973 O O . LYS A 257 ? 0.2417 0.2999 0.3785 0.0102 -0.0172 -0.0160 949 LYS A O \n1974 C CB . LYS A 257 ? 0.3346 0.3740 0.4567 0.0074 -0.0217 -0.0121 949 LYS A CB \n1975 C CG . LYS A 257 ? 0.5919 0.6226 0.7095 0.0075 -0.0263 -0.0116 949 LYS A CG \n1976 C CD . LYS A 257 ? 0.6076 0.6343 0.7210 0.0057 -0.0255 -0.0104 949 LYS A CD \n1977 C CE . LYS A 257 ? 1.0073 1.0237 1.1137 0.0046 -0.0296 -0.0091 949 LYS A CE \n1978 N NZ . LYS A 257 ? 1.1220 1.1348 1.2242 0.0021 -0.0284 -0.0074 949 LYS A NZ \n1979 N N . CYS A 258 ? 0.2615 0.3145 0.3894 0.0066 -0.0151 -0.0124 950 CYS A N \n1980 C CA . CYS A 258 ? 0.1891 0.2487 0.3199 0.0062 -0.0115 -0.0129 950 CYS A CA \n1981 C C . CYS A 258 ? 0.2333 0.2987 0.3699 0.0070 -0.0121 -0.0143 950 CYS A C \n1982 O O . CYS A 258 ? 0.2581 0.3292 0.3977 0.0068 -0.0095 -0.0151 950 CYS A O \n1983 C CB . CYS A 258 ? 0.1817 0.2394 0.3076 0.0044 -0.0092 -0.0110 950 CYS A CB \n1984 S SG . CYS A 258 ? 0.2879 0.3421 0.4095 0.0033 -0.0067 -0.0094 950 CYS A SG \n1985 N N . TRP A 259 ? 0.2685 0.3323 0.4065 0.0076 -0.0156 -0.0143 951 TRP A N \n1986 C CA . TRP A 259 ? 0.2500 0.3201 0.3947 0.0080 -0.0163 -0.0154 951 TRP A CA \n1987 C C . TRP A 259 ? 0.2550 0.3290 0.4074 0.0106 -0.0185 -0.0176 951 TRP A C \n1988 O O . TRP A 259 ? 0.2780 0.3568 0.4371 0.0111 -0.0200 -0.0183 951 TRP A O \n1989 C CB . TRP A 259 ? 0.3021 0.3690 0.4443 0.0064 -0.0189 -0.0137 951 TRP A CB \n1990 C CG . TRP A 259 ? 0.2727 0.3348 0.4067 0.0043 -0.0170 -0.0117 951 TRP A CG \n1991 C CD1 . TRP A 259 ? 0.2509 0.3154 0.3830 0.0034 -0.0129 -0.0114 951 TRP A CD1 \n1992 C CD2 . TRP A 259 ? 0.2855 0.3392 0.4118 0.0032 -0.0192 -0.0099 951 TRP A CD2 \n1993 N NE1 . TRP A 259 ? 0.2531 0.3118 0.3778 0.0021 -0.0125 -0.0097 951 TRP A NE1 \n1994 C CE2 . TRP A 259 ? 0.3042 0.3560 0.4247 0.0019 -0.0160 -0.0088 951 TRP A CE2 \n1995 C CE3 . TRP A 259 ? 0.2200 0.2668 0.3433 0.0032 -0.0239 -0.0092 951 TRP A CE3 \n1996 C CZ2 . TRP A 259 ? 0.3191 0.3625 0.4305 0.0009 -0.0166 -0.0072 951 TRP A CZ2 \n1997 C CZ3 . TRP A 259 ? 0.2888 0.3267 0.4024 0.0018 -0.0248 -0.0074 951 TRP A CZ3 \n1998 C CH2 . TRP A 259 ? 0.2702 0.3065 0.3777 0.0008 -0.0208 -0.0065 951 TRP A CH2 \n1999 N N . MET A 260 ? 0.2803 0.3524 0.4324 0.0124 -0.0186 -0.0188 952 MET A N \n2000 C CA . MET A 260 ? 0.3206 0.3962 0.4796 0.0156 -0.0199 -0.0215 952 MET A CA \n2001 C C . MET A 260 ? 0.3135 0.3985 0.4790 0.0163 -0.0160 -0.0234 952 MET A C \n2002 O O . MET A 260 ? 0.2052 0.2924 0.3682 0.0147 -0.0120 -0.0232 952 MET A O \n2003 C CB . MET A 260 ? 0.3027 0.3728 0.4581 0.0171 -0.0209 -0.0222 952 MET A CB \n2004 C CG . MET A 260 ? 0.3817 0.4426 0.5316 0.0166 -0.0254 -0.0206 952 MET A CG \n2005 S SD . MET A 260 ? 0.5691 0.6234 0.7152 0.0182 -0.0273 -0.0215 952 MET A SD \n2006 C CE . MET A 260 ? 0.5642 0.6158 0.7029 0.0147 -0.0235 -0.0192 952 MET A CE \n2007 N N . ILE A 261 ? 0.2444 0.3353 0.4187 0.0186 -0.0171 -0.0253 953 ILE A N \n2008 C CA . ILE A 261 ? 0.2464 0.3464 0.4268 0.0192 -0.0127 -0.0273 953 ILE A CA \n2009 C C . ILE A 261 ? 0.2375 0.3371 0.4148 0.0204 -0.0091 -0.0291 953 ILE A C \n2010 O O . ILE A 261 ? 0.2538 0.3575 0.4301 0.0190 -0.0046 -0.0296 953 ILE A O \n2011 C CB . ILE A 261 ? 0.2516 0.3585 0.4435 0.0220 -0.0145 -0.0293 953 ILE A CB \n2012 C CG1 . ILE A 261 ? 0.4279 0.5360 0.6233 0.0200 -0.0180 -0.0271 953 ILE A CG1 \n2013 C CG2 . ILE A 261 ? 0.3298 0.4464 0.5282 0.0231 -0.0092 -0.0317 953 ILE A CG2 \n2014 C CD1 . ILE A 261 ? 0.4645 0.5735 0.6556 0.0155 -0.0158 -0.0247 953 ILE A CD1 \n2015 N N . ASP A 262 ? 0.2799 0.3733 0.4543 0.0228 -0.0116 -0.0301 954 ASP A N \n2016 C CA . ASP A 262 ? 0.2390 0.3298 0.4090 0.0239 -0.0094 -0.0316 954 ASP A CA \n2017 C C . ASP A 262 ? 0.2746 0.3605 0.4362 0.0205 -0.0083 -0.0292 954 ASP A C \n2018 O O . ASP A 262 ? 0.2880 0.3672 0.4450 0.0196 -0.0111 -0.0274 954 ASP A O \n2019 C CB . ASP A 262 ? 0.2858 0.3706 0.4551 0.0273 -0.0132 -0.0332 954 ASP A CB \n2020 C CG . ASP A 262 ? 0.4764 0.5571 0.6404 0.0284 -0.0118 -0.0348 954 ASP A CG \n2021 O OD1 . ASP A 262 ? 0.4484 0.5227 0.6102 0.0308 -0.0153 -0.0358 954 ASP A OD1 \n2022 O OD2 . ASP A 262 ? 0.5374 0.6203 0.6986 0.0268 -0.0077 -0.0349 954 ASP A OD2 \n2023 N N . ALA A 263 ? 0.2199 0.3094 0.3801 0.0186 -0.0042 -0.0291 955 ALA A N \n2024 C CA . ALA A 263 ? 0.2677 0.3534 0.4211 0.0155 -0.0033 -0.0268 955 ALA A CA \n2025 C C . ALA A 263 ? 0.2579 0.3369 0.4063 0.0158 -0.0049 -0.0266 955 ALA A C \n2026 O O . ALA A 263 ? 0.2919 0.3671 0.4362 0.0136 -0.0056 -0.0242 955 ALA A O \n2027 C CB . ALA A 263 ? 0.2795 0.3694 0.4320 0.0137 0.0007 -0.0271 955 ALA A CB \n2028 N N . ASP A 264 ? 0.2626 0.3402 0.4112 0.0185 -0.0052 -0.0292 956 ASP A N \n2029 C CA . ASP A 264 ? 0.3762 0.4467 0.5199 0.0189 -0.0074 -0.0292 956 ASP A CA \n2030 C C . ASP A 264 ? 0.4501 0.5148 0.5924 0.0187 -0.0116 -0.0275 956 ASP A C \n2031 O O . ASP A 264 ? 0.4075 0.4664 0.5452 0.0174 -0.0134 -0.0261 956 ASP A O \n2032 C CB . ASP A 264 ? 0.3350 0.4043 0.4784 0.0223 -0.0071 -0.0326 956 ASP A CB \n2033 C CG . ASP A 264 ? 0.3851 0.4571 0.5264 0.0217 -0.0030 -0.0340 956 ASP A CG \n2034 O OD1 . ASP A 264 ? 0.3800 0.4508 0.5174 0.0186 -0.0021 -0.0321 956 ASP A OD1 \n2035 O OD2 . ASP A 264 ? 0.3627 0.4378 0.5062 0.0245 -0.0007 -0.0371 956 ASP A OD2 \n2036 N N . SER A 265 ? 0.2736 0.3397 0.4196 0.0198 -0.0134 -0.0274 957 SER A N \n2037 C CA . SER A 265 ? 0.3603 0.4200 0.5038 0.0193 -0.0175 -0.0256 957 SER A CA \n2038 C C . SER A 265 ? 0.3157 0.3738 0.4558 0.0157 -0.0170 -0.0223 957 SER A C \n2039 O O . SER A 265 ? 0.3095 0.3614 0.4457 0.0146 -0.0197 -0.0205 957 SER A O \n2040 C CB . SER A 265 ? 0.4242 0.4844 0.5724 0.0222 -0.0206 -0.0271 957 SER A CB \n2041 O OG . SER A 265 ? 0.5549 0.6137 0.7048 0.0260 -0.0221 -0.0302 957 SER A OG \n2042 N N . ARG A 266 ? 0.2434 0.3067 0.3846 0.0140 -0.0135 -0.0214 958 ARG A N \n2043 C CA . ARG A 266 ? 0.2160 0.2783 0.3543 0.0113 -0.0126 -0.0187 958 ARG A CA \n2044 C C . ARG A 266 ? 0.2676 0.3259 0.4016 0.0094 -0.0122 -0.0170 958 ARG A C \n2045 O O . ARG A 266 ? 0.3145 0.3727 0.4485 0.0098 -0.0120 -0.0180 958 ARG A O \n2046 C CB . ARG A 266 ? 0.2130 0.2811 0.3528 0.0101 -0.0092 -0.0185 958 ARG A CB \n2047 C CG . ARG A 266 ? 0.2621 0.3349 0.4066 0.0111 -0.0094 -0.0196 958 ARG A CG \n2048 C CD . ARG A 266 ? 0.1952 0.2733 0.3407 0.0096 -0.0062 -0.0194 958 ARG A CD \n2049 N NE . ARG A 266 ? 0.2241 0.3079 0.3757 0.0107 -0.0063 -0.0210 958 ARG A NE \n2050 C CZ . ARG A 266 ? 0.2250 0.3146 0.3791 0.0100 -0.0034 -0.0218 958 ARG A CZ \n2051 N NH1 . ARG A 266 ? 0.2396 0.3349 0.4001 0.0109 -0.0033 -0.0232 958 ARG A NH1 \n2052 N NH2 . ARG A 266 ? 0.2306 0.3203 0.3809 0.0082 -0.0007 -0.0212 958 ARG A NH2 \n2053 N N . PRO A 267 ? 0.2599 0.3150 0.3904 0.0072 -0.0119 -0.0144 959 PRO A N \n2054 C CA . PRO A 267 ? 0.3095 0.3622 0.4373 0.0050 -0.0110 -0.0125 959 PRO A CA \n2055 C C . PRO A 267 ? 0.3162 0.3736 0.4461 0.0044 -0.0083 -0.0126 959 PRO A C \n2056 O O . PRO A 267 ? 0.3135 0.3754 0.4453 0.0050 -0.0065 -0.0135 959 PRO A O \n2057 C CB . PRO A 267 ? 0.2857 0.3361 0.4101 0.0032 -0.0098 -0.0101 959 PRO A CB \n2058 C CG . PRO A 267 ? 0.3652 0.4136 0.4887 0.0044 -0.0119 -0.0108 959 PRO A CG \n2059 C CD . PRO A 267 ? 0.2628 0.3169 0.3916 0.0065 -0.0120 -0.0132 959 PRO A CD \n2060 N N . LYS A 268 ? 0.3090 0.3651 0.4384 0.0029 -0.0083 -0.0114 960 LYS A N \n2061 C CA . LYS A 268 ? 0.3243 0.3840 0.4554 0.0019 -0.0063 -0.0110 960 LYS A CA \n2062 C C . LYS A 268 ? 0.3373 0.3984 0.4687 0.0001 -0.0040 -0.0085 960 LYS A C \n2063 O O . LYS A 268 ? 0.2986 0.3569 0.4281 -0.0009 -0.0039 -0.0069 960 LYS A O \n2064 C CB . LYS A 268 ? 0.3460 0.4037 0.4770 0.0013 -0.0082 -0.0112 960 LYS A CB \n2065 C CG . LYS A 268 ? 0.3999 0.4549 0.5296 0.0035 -0.0104 -0.0138 960 LYS A CG \n2066 C CD . LYS A 268 ? 0.4113 0.4702 0.5422 0.0052 -0.0087 -0.0162 960 LYS A CD \n2067 C CE . LYS A 268 ? 0.5469 0.6043 0.6777 0.0081 -0.0101 -0.0190 960 LYS A CE \n2068 N NZ . LYS A 268 ? 0.6675 0.7196 0.7954 0.0087 -0.0127 -0.0200 960 LYS A NZ \n2069 N N . PHE A 269 ? 0.2494 0.3142 0.3827 -0.0001 -0.0022 -0.0083 961 PHE A N \n2070 C CA . PHE A 269 ? 0.2747 0.3411 0.4089 -0.0010 0.0001 -0.0063 961 PHE A CA \n2071 C C . PHE A 269 ? 0.2178 0.2830 0.3531 -0.0030 0.0000 -0.0042 961 PHE A C \n2072 O O . PHE A 269 ? 0.2735 0.3384 0.4082 -0.0038 0.0020 -0.0026 961 PHE A O \n2073 C CB . PHE A 269 ? 0.3546 0.4246 0.4908 -0.0008 0.0013 -0.0065 961 PHE A CB \n2074 C CG . PHE A 269 ? 0.2468 0.3177 0.3813 0.0003 0.0022 -0.0077 961 PHE A CG \n2075 C CD1 . PHE A 269 ? 0.2357 0.3056 0.3680 0.0006 0.0035 -0.0072 961 PHE A CD1 \n2076 C CD2 . PHE A 269 ? 0.2366 0.3090 0.3711 0.0006 0.0016 -0.0093 961 PHE A CD2 \n2077 C CE1 . PHE A 269 ? 0.2628 0.3330 0.3934 0.0013 0.0037 -0.0081 961 PHE A CE1 \n2078 C CE2 . PHE A 269 ? 0.2751 0.3487 0.4084 0.0011 0.0024 -0.0101 961 PHE A CE2 \n2079 C CZ . PHE A 269 ? 0.2538 0.3264 0.3854 0.0014 0.0032 -0.0095 961 PHE A CZ \n2080 N N . ARG A 270 ? 0.2391 0.3031 0.3755 -0.0038 -0.0024 -0.0043 962 ARG A N \n2081 C CA . ARG A 270 ? 0.3437 0.4070 0.4819 -0.0063 -0.0029 -0.0020 962 ARG A CA \n2082 C C . ARG A 270 ? 0.3871 0.4461 0.5214 -0.0071 -0.0030 -0.0010 962 ARG A C \n2083 O O . ARG A 270 ? 0.3710 0.4300 0.5056 -0.0092 -0.0011 0.0012 962 ARG A O \n2084 C CB . ARG A 270 ? 0.3955 0.4569 0.5343 -0.0072 -0.0064 -0.0023 962 ARG A CB \n2085 C CG . ARG A 270 ? 0.5484 0.6044 0.6829 -0.0060 -0.0095 -0.0042 962 ARG A CG \n2086 C CD . ARG A 270 ? 0.8560 0.9103 0.9896 -0.0052 -0.0120 -0.0061 962 ARG A CD \n2087 N NE . ARG A 270 ? 0.7125 0.7695 0.8458 -0.0029 -0.0105 -0.0084 962 ARG A NE \n2088 C CZ . ARG A 270 ? 0.7541 0.8091 0.8848 -0.0013 -0.0117 -0.0109 962 ARG A CZ \n2089 N NH1 . ARG A 270 ? 0.9286 0.9782 1.0565 -0.0012 -0.0148 -0.0117 962 ARG A NH1 \n2090 N NH2 . ARG A 270 ? 0.6233 0.6812 0.7538 0.0000 -0.0097 -0.0127 962 ARG A NH2 \n2091 N N . GLU A 271 ? 0.3289 0.3840 0.4593 -0.0055 -0.0050 -0.0029 963 GLU A N \n2092 C CA . GLU A 271 ? 0.3474 0.3970 0.4731 -0.0060 -0.0060 -0.0023 963 GLU A CA \n2093 C C . GLU A 271 ? 0.3406 0.3903 0.4640 -0.0062 -0.0028 -0.0012 963 GLU A C \n2094 O O . GLU A 271 ? 0.3190 0.3645 0.4385 -0.0079 -0.0024 0.0004 963 GLU A O \n2095 C CB . GLU A 271 ? 0.4203 0.4665 0.5439 -0.0036 -0.0094 -0.0048 963 GLU A CB \n2096 C CG . GLU A 271 ? 0.4469 0.4906 0.5707 -0.0033 -0.0128 -0.0059 963 GLU A CG \n2097 C CD . GLU A 271 ? 0.7105 0.7524 0.8336 0.0000 -0.0152 -0.0090 963 GLU A CD \n2098 O OE1 . GLU A 271 ? 0.6586 0.6971 0.7806 0.0006 -0.0181 -0.0102 963 GLU A OE1 \n2099 O OE2 . GLU A 271 ? 0.4681 0.5120 0.5919 0.0017 -0.0144 -0.0102 963 GLU A OE2 \n2100 N N . LEU A 272 ? 0.2611 0.3145 0.3858 -0.0044 -0.0008 -0.0023 964 LEU A N \n2101 C CA . LEU A 272 ? 0.2754 0.3278 0.3969 -0.0042 0.0017 -0.0016 964 LEU A CA \n2102 C C . LEU A 272 ? 0.2718 0.3264 0.3945 -0.0058 0.0057 0.0005 964 LEU A C \n2103 O O . LEU A 272 ? 0.3063 0.3577 0.4245 -0.0067 0.0079 0.0017 964 LEU A O \n2104 C CB . LEU A 272 ? 0.2685 0.3240 0.3911 -0.0021 0.0022 -0.0033 964 LEU A CB \n2105 C CG . LEU A 272 ? 0.3034 0.3578 0.4255 -0.0005 -0.0008 -0.0053 964 LEU A CG \n2106 C CD1 . LEU A 272 ? 0.3016 0.3607 0.4264 0.0006 0.0000 -0.0067 964 LEU A CD1 \n2107 C CD2 . LEU A 272 ? 0.2926 0.3414 0.4095 -0.0005 -0.0021 -0.0050 964 LEU A CD2 \n2108 N N . ILE A 273 ? 0.2961 0.3559 0.4248 -0.0063 0.0064 0.0009 965 ILE A N \n2109 C CA . ILE A 273 ? 0.2701 0.3332 0.4021 -0.0078 0.0100 0.0030 965 ILE A CA \n2110 C C . ILE A 273 ? 0.3250 0.3842 0.4538 -0.0106 0.0104 0.0051 965 ILE A C \n2111 O O . ILE A 273 ? 0.3911 0.4495 0.5175 -0.0116 0.0142 0.0065 965 ILE A O \n2112 C CB . ILE A 273 ? 0.2521 0.3210 0.3919 -0.0082 0.0093 0.0034 965 ILE A CB \n2113 C CG1 . ILE A 273 ? 0.2574 0.3297 0.3996 -0.0058 0.0092 0.0017 965 ILE A CG1 \n2114 C CG2 . ILE A 273 ? 0.2484 0.3215 0.3932 -0.0100 0.0128 0.0058 965 ILE A CG2 \n2115 C CD1 . ILE A 273 ? 0.3097 0.3854 0.4576 -0.0062 0.0069 0.0017 965 ILE A CD1 \n2116 N N . ILE A 274 ? 0.3145 0.3705 0.4426 -0.0120 0.0064 0.0051 966 ILE A N \n2117 C CA . ILE A 274 ? 0.3621 0.4132 0.4865 -0.0152 0.0060 0.0072 966 ILE A CA \n2118 C C . ILE A 274 ? 0.4114 0.4557 0.5270 -0.0153 0.0067 0.0074 966 ILE A C \n2119 O O . ILE A 274 ? 0.3448 0.3869 0.4570 -0.0177 0.0098 0.0094 966 ILE A O \n2120 C CB . ILE A 274 ? 0.4227 0.4703 0.5470 -0.0164 0.0007 0.0070 966 ILE A CB \n2121 C CG1 . ILE A 274 ? 0.3830 0.4364 0.5150 -0.0171 0.0000 0.0074 966 ILE A CG1 \n2122 C CG2 . ILE A 274 ? 0.4307 0.4716 0.5495 -0.0198 -0.0004 0.0091 966 ILE A CG2 \n2123 C CD1 . ILE A 274 ? 0.4417 0.4913 0.5731 -0.0174 -0.0053 0.0066 966 ILE A CD1 \n2124 N N . GLU A 275 ? 0.3273 0.3680 0.4393 -0.0128 0.0039 0.0052 967 GLU A N \n2125 C CA . GLU A 275 ? 0.3401 0.3732 0.4434 -0.0129 0.0034 0.0053 967 GLU A CA \n2126 C C . GLU A 275 ? 0.3016 0.3348 0.4016 -0.0127 0.0083 0.0061 967 GLU A C \n2127 O O . GLU A 275 ? 0.3567 0.3836 0.4491 -0.0147 0.0099 0.0076 967 GLU A O \n2128 C CB . GLU A 275 ? 0.3336 0.3639 0.4355 -0.0101 -0.0010 0.0029 967 GLU A CB \n2129 C CG . GLU A 275 ? 0.4927 0.5139 0.5857 -0.0106 -0.0032 0.0033 967 GLU A CG \n2130 C CD . GLU A 275 ? 0.8241 0.8413 0.9166 -0.0087 -0.0092 0.0014 967 GLU A CD \n2131 O OE1 . GLU A 275 ? 0.8806 0.9030 0.9795 -0.0065 -0.0108 -0.0005 967 GLU A OE1 \n2132 O OE2 . GLU A 275 ? 0.8694 0.8780 0.9547 -0.0094 -0.0123 0.0019 967 GLU A OE2 \n2133 N N . PHE A 276 ? 0.2700 0.3091 0.3742 -0.0104 0.0107 0.0050 968 PHE A N \n2134 C CA . PHE A 276 ? 0.2664 0.3049 0.3669 -0.0099 0.0153 0.0054 968 PHE A CA \n2135 C C . PHE A 276 ? 0.3036 0.3451 0.4061 -0.0119 0.0205 0.0075 968 PHE A C \n2136 O O . PHE A 276 ? 0.3829 0.4212 0.4795 -0.0122 0.0247 0.0084 968 PHE A O \n2137 C CB . PHE A 276 ? 0.3189 0.3618 0.4227 -0.0069 0.0161 0.0037 968 PHE A CB \n2138 C CG . PHE A 276 ? 0.2844 0.3229 0.3836 -0.0053 0.0126 0.0021 968 PHE A CG \n2139 C CD1 . PHE A 276 ? 0.3144 0.3456 0.4045 -0.0052 0.0132 0.0024 968 PHE A CD1 \n2140 C CD2 . PHE A 276 ? 0.3501 0.3917 0.4540 -0.0040 0.0088 0.0005 968 PHE A CD2 \n2141 C CE1 . PHE A 276 ? 0.4421 0.4694 0.5288 -0.0040 0.0093 0.0012 968 PHE A CE1 \n2142 C CE2 . PHE A 276 ? 0.3153 0.3538 0.4162 -0.0027 0.0056 -0.0007 968 PHE A CE2 \n2143 C CZ . PHE A 276 ? 0.3174 0.3490 0.4103 -0.0029 0.0056 -0.0003 968 PHE A CZ \n2144 N N . SER A 277 ? 0.3381 0.3857 0.4488 -0.0133 0.0203 0.0084 969 SER A N \n2145 C CA . SER A 277 ? 0.3733 0.4250 0.4876 -0.0157 0.0253 0.0108 969 SER A CA \n2146 C C . SER A 277 ? 0.3697 0.4144 0.4761 -0.0193 0.0264 0.0128 969 SER A C \n2147 O O . SER A 277 ? 0.3915 0.4365 0.4957 -0.0207 0.0321 0.0143 969 SER A O \n2148 C CB . SER A 277 ? 0.3443 0.4040 0.4698 -0.0168 0.0241 0.0116 969 SER A CB \n2149 O OG . SER A 277 ? 0.3519 0.4183 0.4845 -0.0138 0.0245 0.0102 969 SER A OG \n2150 N N . LYS A 278 ? 0.3604 0.3985 0.4622 -0.0208 0.0210 0.0129 970 LYS A N \n2151 C CA . LYS A 278 ? 0.4328 0.4619 0.5250 -0.0243 0.0206 0.0147 970 LYS A CA \n2152 C C . LYS A 278 ? 0.4602 0.4818 0.5413 -0.0236 0.0232 0.0144 970 LYS A C \n2153 O O . LYS A 278 ? 0.4030 0.4199 0.4771 -0.0265 0.0271 0.0164 970 LYS A O \n2154 C CB . LYS A 278 ? 0.5288 0.5517 0.6183 -0.0249 0.0133 0.0142 970 LYS A CB \n2155 C CG . LYS A 278 ? 0.6577 0.6711 0.7380 -0.0291 0.0118 0.0164 970 LYS A CG \n2156 C CD . LYS A 278 ? 0.8192 0.8235 0.8934 -0.0279 0.0044 0.0149 970 LYS A CD \n2157 C CE . LYS A 278 ? 0.7525 0.7510 0.8192 -0.0254 0.0040 0.0135 970 LYS A CE \n2158 N NZ . LYS A 278 ? 0.7039 0.7009 0.7722 -0.0218 -0.0022 0.0108 970 LYS A NZ \n2159 N N . MET A 279 ? 0.4010 0.4209 0.4801 -0.0200 0.0210 0.0121 971 MET A N \n2160 C CA . MET A 279 ? 0.4611 0.4732 0.5295 -0.0192 0.0227 0.0118 971 MET A CA \n2161 C C . MET A 279 ? 0.4331 0.4487 0.5012 -0.0187 0.0306 0.0124 971 MET A C \n2162 O O . MET A 279 ? 0.4468 0.4550 0.5043 -0.0200 0.0340 0.0133 971 MET A O \n2163 C CB . MET A 279 ? 0.3866 0.3970 0.4543 -0.0157 0.0181 0.0094 971 MET A CB \n2164 C CG . MET A 279 ? 0.4532 0.4578 0.5187 -0.0160 0.0108 0.0088 971 MET A CG \n2165 S SD . MET A 279 ? 0.5161 0.5209 0.5833 -0.0121 0.0059 0.0061 971 MET A SD \n2166 C CE . MET A 279 ? 0.4972 0.4971 0.5644 -0.0125 -0.0017 0.0055 971 MET A CE \n2167 N N . ALA A 280 ? 0.4161 0.4424 0.4952 -0.0166 0.0333 0.0117 972 ALA A N \n2168 C CA . ALA A 280 ? 0.4731 0.5039 0.5538 -0.0154 0.0406 0.0119 972 ALA A CA \n2169 C C . ALA A 280 ? 0.4662 0.4976 0.5458 -0.0190 0.0464 0.0145 972 ALA A C \n2170 O O . ALA A 280 ? 0.4924 0.5257 0.5709 -0.0182 0.0534 0.0147 972 ALA A O \n2171 C CB . ALA A 280 ? 0.4188 0.4609 0.5125 -0.0126 0.0413 0.0108 972 ALA A CB \n2172 N N . ARG A 281 ? 0.4550 0.4845 0.5346 -0.0229 0.0436 0.0163 973 ARG A N \n2173 C CA . ARG A 281 ? 0.5361 0.5657 0.6142 -0.0274 0.0485 0.0191 973 ARG A CA \n2174 C C . ARG A 281 ? 0.5684 0.5852 0.6300 -0.0296 0.0505 0.0200 973 ARG A C \n2175 O O . ARG A 281 ? 0.5683 0.5844 0.6262 -0.0328 0.0567 0.0220 973 ARG A O \n2176 C CB . ARG A 281 ? 0.5834 0.6152 0.6674 -0.0312 0.0442 0.0209 973 ARG A CB \n2177 C CG . ARG A 281 ? 0.7494 0.7946 0.8497 -0.0308 0.0451 0.0213 973 ARG A CG \n2178 C CD . ARG A 281 ? 0.8217 0.8681 0.9263 -0.0355 0.0419 0.0237 973 ARG A CD \n2179 N NE . ARG A 281 ? 0.8985 0.9407 1.0025 -0.0348 0.0333 0.0225 973 ARG A NE \n2180 C CZ . ARG A 281 ? 0.8865 0.9347 0.9996 -0.0320 0.0296 0.0208 973 ARG A CZ \n2181 N NH1 . ARG A 281 ? 0.7091 0.7675 0.8326 -0.0297 0.0329 0.0203 973 ARG A NH1 \n2182 N NH2 . ARG A 281 ? 0.7409 0.7844 0.8522 -0.0313 0.0225 0.0195 973 ARG A NH2 \n2183 N N . ASP A 282 ? 0.5413 0.5479 0.5928 -0.0281 0.0451 0.0185 974 ASP A N \n2184 C CA . ASP A 282 ? 0.4986 0.4912 0.5331 -0.0300 0.0455 0.0192 974 ASP A CA \n2185 C C . ASP A 282 ? 0.5427 0.5289 0.5706 -0.0260 0.0421 0.0167 974 ASP A C \n2186 O O . ASP A 282 ? 0.5649 0.5421 0.5858 -0.0262 0.0351 0.0163 974 ASP A O \n2187 C CB . ASP A 282 ? 0.6211 0.6053 0.6496 -0.0342 0.0396 0.0209 974 ASP A CB \n2188 C CG . ASP A 282 ? 0.6479 0.6162 0.6579 -0.0369 0.0392 0.0220 974 ASP A CG \n2189 O OD1 . ASP A 282 ? 0.6299 0.5939 0.6311 -0.0363 0.0451 0.0219 974 ASP A OD1 \n2190 O OD2 . ASP A 282 ? 0.7711 0.7303 0.7746 -0.0396 0.0327 0.0229 974 ASP A OD2 \n2191 N N . PRO A 283 ? 0.5975 0.5884 0.6279 -0.0223 0.0467 0.0152 975 PRO A N \n2192 C CA . PRO A 283 ? 0.4872 0.4746 0.5147 -0.0184 0.0426 0.0129 975 PRO A CA \n2193 C C . PRO A 283 ? 0.6284 0.6002 0.6390 -0.0192 0.0392 0.0128 975 PRO A C \n2194 O O . PRO A 283 ? 0.4577 0.4254 0.4667 -0.0175 0.0326 0.0115 975 PRO A O \n2195 C CB . PRO A 283 ? 0.5322 0.5263 0.5638 -0.0150 0.0493 0.0117 975 PRO A CB \n2196 C CG . PRO A 283 ? 0.5060 0.5031 0.5377 -0.0171 0.0577 0.0134 975 PRO A CG \n2197 C CD . PRO A 283 ? 0.4665 0.4661 0.5028 -0.0215 0.0557 0.0156 975 PRO A CD \n2198 N N . GLN A 284 ? 0.6003 0.5630 0.5983 -0.0221 0.0436 0.0144 976 GLN A N \n2199 C CA . GLN A 284 ? 0.5899 0.5363 0.5701 -0.0230 0.0407 0.0146 976 GLN A CA \n2200 C C . GLN A 284 ? 0.5987 0.5365 0.5742 -0.0256 0.0319 0.0154 976 GLN A C \n2201 O O . GLN A 284 ? 0.6224 0.5475 0.5858 -0.0257 0.0267 0.0152 976 GLN A O \n2202 C CB . GLN A 284 ? 0.6607 0.5995 0.6275 -0.0250 0.0490 0.0158 976 GLN A CB \n2203 C CG . GLN A 284 ? 0.7380 0.6836 0.7084 -0.0212 0.0570 0.0143 976 GLN A CG \n2204 C CD . GLN A 284 ? 0.8428 0.7826 0.8014 -0.0227 0.0666 0.0152 976 GLN A CD \n2205 O OE1 . GLN A 284 ? 0.9329 0.8835 0.9002 -0.0221 0.0749 0.0154 976 GLN A OE1 \n2206 N NE2 . GLN A 284 ? 0.6856 0.6084 0.6245 -0.0247 0.0655 0.0158 976 GLN A NE2 \n2207 N N . ARG A 285 ? 0.5647 0.5092 0.5499 -0.0275 0.0297 0.0163 977 ARG A N \n2208 C CA . ARG A 285 ? 0.6036 0.5423 0.5879 -0.0287 0.0204 0.0165 977 ARG A CA \n2209 C C . ARG A 285 ? 0.5732 0.5154 0.5651 -0.0247 0.0135 0.0141 977 ARG A C \n2210 O O . ARG A 285 ? 0.5693 0.5034 0.5568 -0.0247 0.0057 0.0138 977 ARG A O \n2211 C CB . ARG A 285 ? 0.5937 0.5391 0.5870 -0.0313 0.0199 0.0178 977 ARG A CB \n2212 C CG . ARG A 285 ? 0.6103 0.5465 0.5990 -0.0332 0.0111 0.0184 977 ARG A CG \n2213 C CD . ARG A 285 ? 0.7132 0.6555 0.7108 -0.0354 0.0098 0.0195 977 ARG A CD \n2214 N NE . ARG A 285 ? 0.7481 0.6854 0.7465 -0.0345 0.0001 0.0186 977 ARG A NE \n2215 C CZ . ARG A 285 ? 0.8402 0.7802 0.8451 -0.0354 -0.0037 0.0188 977 ARG A CZ \n2216 N NH1 . ARG A 285 ? 0.7654 0.7001 0.7704 -0.0338 -0.0123 0.0176 977 ARG A NH1 \n2217 N NH2 . ARG A 285 ? 0.6082 0.5561 0.6199 -0.0378 0.0007 0.0203 977 ARG A NH2 \n2218 N N . TYR A 286 ? 0.5958 0.5499 0.5992 -0.0214 0.0163 0.0125 978 TYR A N \n2219 C CA . TYR A 286 ? 0.5018 0.4615 0.5146 -0.0182 0.0104 0.0105 978 TYR A CA \n2220 C C . TYR A 286 ? 0.5153 0.4728 0.5249 -0.0154 0.0096 0.0090 978 TYR A C \n2221 O O . TYR A 286 ? 0.4182 0.3756 0.4310 -0.0137 0.0032 0.0078 978 TYR A O \n2222 C CB . TYR A 286 ? 0.4485 0.4229 0.4772 -0.0169 0.0121 0.0098 978 TYR A CB \n2223 C CG . TYR A 286 ? 0.4906 0.4660 0.5225 -0.0196 0.0107 0.0111 978 TYR A CG \n2224 C CD1 . TYR A 286 ? 0.5238 0.5031 0.5574 -0.0222 0.0167 0.0129 978 TYR A CD1 \n2225 C CD2 . TYR A 286 ? 0.4921 0.4644 0.5255 -0.0196 0.0032 0.0106 978 TYR A CD2 \n2226 C CE1 . TYR A 286 ? 0.5139 0.4935 0.5500 -0.0252 0.0149 0.0144 978 TYR A CE1 \n2227 C CE2 . TYR A 286 ? 0.5520 0.5238 0.5871 -0.0221 0.0014 0.0118 978 TYR A CE2 \n2228 C CZ . TYR A 286 ? 0.5952 0.5704 0.6313 -0.0251 0.0071 0.0138 978 TYR A CZ \n2229 O OH . TYR A 286 ? 0.5514 0.5257 0.5891 -0.0280 0.0049 0.0152 978 TYR A OH \n2230 N N . LEU A 287 ? 0.4198 0.3756 0.4232 -0.0149 0.0160 0.0092 979 LEU A N \n2231 C CA . LEU A 287 ? 0.4245 0.3752 0.4216 -0.0127 0.0152 0.0080 979 LEU A CA \n2232 C C . LEU A 287 ? 0.5012 0.4372 0.4802 -0.0143 0.0175 0.0091 979 LEU A C \n2233 O O . LEU A 287 ? 0.5495 0.4840 0.5232 -0.0160 0.0244 0.0102 979 LEU A O \n2234 C CB . LEU A 287 ? 0.4276 0.3890 0.4336 -0.0097 0.0202 0.0067 979 LEU A CB \n2235 C CG . LEU A 287 ? 0.4809 0.4562 0.5036 -0.0081 0.0183 0.0057 979 LEU A CG \n2236 C CD1 . LEU A 287 ? 0.4358 0.4197 0.4653 -0.0054 0.0233 0.0046 979 LEU A CD1 \n2237 C CD2 . LEU A 287 ? 0.3826 0.3574 0.4085 -0.0073 0.0104 0.0046 979 LEU A CD2 \n2238 N N . VAL A 288 ? 0.4829 0.4079 0.4522 -0.0141 0.0118 0.0087 980 VAL A N \n2239 C CA . VAL A 288 ? 0.5664 0.4750 0.5164 -0.0157 0.0126 0.0096 980 VAL A CA \n2240 C C . VAL A 288 ? 0.5580 0.4633 0.5021 -0.0131 0.0148 0.0084 980 VAL A C \n2241 O O . VAL A 288 ? 0.5629 0.4653 0.5068 -0.0119 0.0085 0.0076 980 VAL A O \n2242 C CB . VAL A 288 ? 0.5781 0.4738 0.5191 -0.0178 0.0032 0.0105 980 VAL A CB \n2243 C CG1 . VAL A 288 ? 0.6715 0.5488 0.5908 -0.0201 0.0042 0.0116 980 VAL A CG1 \n2244 C CG2 . VAL A 288 ? 0.6096 0.5087 0.5575 -0.0199 0.0000 0.0114 980 VAL A CG2 \n2245 N N . ILE A 289 ? 0.5355 0.4412 0.4750 -0.0122 0.0238 0.0082 981 ILE A N \n2246 C CA . ILE A 289 ? 0.5792 0.4820 0.5131 -0.0091 0.0270 0.0068 981 ILE A CA \n2247 C C . ILE A 289 ? 0.7001 0.5883 0.6143 -0.0101 0.0326 0.0073 981 ILE A C \n2248 O O . ILE A 289 ? 0.6502 0.5404 0.5630 -0.0114 0.0401 0.0082 981 ILE A O \n2249 C CB . ILE A 289 ? 0.5966 0.5154 0.5455 -0.0060 0.0333 0.0056 981 ILE A CB \n2250 C CG1 . ILE A 289 ? 0.5456 0.4782 0.5129 -0.0052 0.0281 0.0050 981 ILE A CG1 \n2251 C CG2 . ILE A 289 ? 0.6158 0.5306 0.5580 -0.0026 0.0368 0.0040 981 ILE A CG2 \n2252 C CD1 . ILE A 289 ? 0.5854 0.5337 0.5680 -0.0030 0.0335 0.0043 981 ILE A CD1 \n2253 N N . GLN A 290 ? 0.7198 0.5931 0.6185 -0.0097 0.0289 0.0070 982 GLN A N \n2254 C CA . GLN A 290 ? 0.7420 0.5996 0.6198 -0.0105 0.0342 0.0072 982 GLN A CA \n2255 C C . GLN A 290 ? 0.7877 0.6519 0.6673 -0.0072 0.0454 0.0059 982 GLN A C \n2256 O O . GLN A 290 ? 0.8123 0.6839 0.7001 -0.0034 0.0462 0.0042 982 GLN A O \n2257 C CB . GLN A 290 ? 0.9432 0.7831 0.8042 -0.0105 0.0274 0.0070 982 GLN A CB \n2258 C CG . GLN A 290 ? 1.1835 1.0037 1.0199 -0.0123 0.0309 0.0076 982 GLN A CG \n2259 C CD . GLN A 290 ? 1.2915 1.0931 1.1102 -0.0122 0.0239 0.0073 982 GLN A CD \n2260 O OE1 . GLN A 290 ? 1.1338 0.9370 0.9556 -0.0093 0.0215 0.0060 982 GLN A OE1 \n2261 N NE2 . GLN A 290 ? 1.3825 1.1655 1.1819 -0.0157 0.0203 0.0088 982 GLN A NE2 \n2262 N N . GLY A 291 ? 0.8149 0.6765 0.6872 -0.0088 0.0540 0.0067 983 GLY A N \n2263 C CA . GLY A 291 ? 0.8277 0.6956 0.7017 -0.0056 0.0654 0.0054 983 GLY A CA \n2264 C C . GLY A 291 ? 0.8909 0.7805 0.7882 -0.0045 0.0698 0.0054 983 GLY A C \n2265 O O . GLY A 291 ? 0.8003 0.6982 0.7034 -0.0014 0.0785 0.0042 983 GLY A O \n2266 N N . ASP A 292 ? 0.8035 0.7017 0.7138 -0.0070 0.0636 0.0066 984 ASP A N \n2267 C CA . ASP A 292 ? 0.6897 0.6074 0.6220 -0.0063 0.0657 0.0067 984 ASP A CA \n2268 C C . ASP A 292 ? 0.7346 0.6609 0.6718 -0.0058 0.0771 0.0070 984 ASP A C \n2269 O O . ASP A 292 ? 0.7307 0.6703 0.6820 -0.0024 0.0811 0.0058 984 ASP A O \n2270 C CB . ASP A 292 ? 0.5678 0.4891 0.5076 -0.0101 0.0589 0.0085 984 ASP A CB \n2271 C CG . ASP A 292 ? 0.6828 0.6220 0.6445 -0.0089 0.0571 0.0081 984 ASP A CG \n2272 O OD1 . ASP A 292 ? 0.7331 0.6822 0.7048 -0.0052 0.0606 0.0067 984 ASP A OD1 \n2273 O OD2 . ASP A 292 ? 0.7093 0.6519 0.6777 -0.0115 0.0519 0.0093 984 ASP A OD2 \n2274 N N . GLU A 293 ? 0.8300 0.7487 0.7556 -0.0095 0.0821 0.0087 985 GLU A N \n2275 C CA . GLU A 293 ? 1.0027 0.9294 0.9324 -0.0099 0.0936 0.0093 985 GLU A CA \n2276 C C . GLU A 293 ? 0.9391 0.8676 0.8676 -0.0044 0.1018 0.0069 985 GLU A C \n2277 O O . GLU A 293 ? 0.9474 0.8905 0.8904 -0.0023 0.1090 0.0065 985 GLU A O \n2278 C CB . GLU A 293 ? 1.1650 1.0799 1.0786 -0.0152 0.0972 0.0115 985 GLU A CB \n2279 C CG . GLU A 293 ? 1.3974 1.3229 1.3185 -0.0176 0.1077 0.0131 985 GLU A CG \n2280 C CD . GLU A 293 ? 1.5493 1.4875 1.4873 -0.0213 0.1042 0.0153 985 GLU A CD \n2281 O OE1 . GLU A 293 ? 1.4291 1.3597 1.3618 -0.0253 0.0961 0.0169 985 GLU A OE1 \n2282 O OE2 . GLU A 293 ? 1.5574 1.5126 1.5137 -0.0202 0.1092 0.0155 985 GLU A OE2 \n2283 N N . ARG A 294 ? 0.9454 0.8588 0.8568 -0.0020 0.1001 0.0053 986 ARG A N \n2284 C CA . ARG A 294 ? 1.0036 0.9156 0.9109 0.0034 0.1070 0.0027 986 ARG A CA \n2285 C C . ARG A 294 ? 1.0976 1.0136 1.0132 0.0082 0.1006 0.0006 986 ARG A C \n2286 O O . ARG A 294 ? 1.3179 1.2208 1.2196 0.0107 0.0978 -0.0009 986 ARG A O \n2287 C CB . ARG A 294 ? 1.0660 0.9569 0.9466 0.0030 0.1102 0.0022 986 ARG A CB \n2288 C CG . ARG A 294 ? 1.2138 1.1018 1.0855 0.0000 0.1208 0.0036 986 ARG A CG \n2289 C CD . ARG A 294 ? 1.2418 1.1218 1.1052 -0.0071 0.1162 0.0066 986 ARG A CD \n2290 N NE . ARG A 294 ? 1.4330 1.2896 1.2708 -0.0091 0.1111 0.0068 986 ARG A NE \n2291 C CZ . ARG A 294 ? 1.5835 1.4251 1.4003 -0.0122 0.1169 0.0077 986 ARG A CZ \n2292 N NH1 . ARG A 294 ? 1.5502 1.3985 1.3688 -0.0138 0.1287 0.0086 986 ARG A NH1 \n2293 N NH2 . ARG A 294 ? 1.4309 1.2504 1.2245 -0.0139 0.1109 0.0079 986 ARG A NH2 \n2294 N N . MET A 295 ? 1.0734 1.0065 1.0106 0.0091 0.0982 0.0007 987 MET A N \n2295 C CA . MET A 295 ? 0.9874 0.9254 0.9335 0.0132 0.0926 -0.0011 987 MET A CA \n2296 C C . MET A 295 ? 1.0151 0.9701 0.9801 0.0172 0.0979 -0.0022 987 MET A C \n2297 O O . MET A 295 ? 0.8481 0.8175 0.8297 0.0154 0.0990 -0.0008 987 MET A O \n2298 C CB . MET A 295 ? 1.0538 0.9933 1.0060 0.0106 0.0814 -0.0001 987 MET A CB \n2299 C CG . MET A 295 ? 0.9017 0.8253 0.8384 0.0105 0.0736 -0.0007 987 MET A CG \n2300 S SD . MET A 295 ? 0.9838 0.9087 0.9268 0.0066 0.0616 0.0007 987 MET A SD \n2301 C CE . MET A 295 ? 1.0024 0.9063 0.9240 0.0060 0.0545 0.0004 987 MET A CE \n2302 N N . HIS A 296 ? 1.2215 1.1739 1.1835 0.0227 0.1003 -0.0046 988 HIS A N \n2303 C CA . HIS A 296 ? 1.2213 1.1877 1.1991 0.0274 0.1056 -0.0061 988 HIS A CA \n2304 C C . HIS A 296 ? 0.9897 0.9581 0.9739 0.0308 0.0983 -0.0077 988 HIS A C \n2305 O O . HIS A 296 ? 1.0129 0.9685 0.9836 0.0328 0.0946 -0.0091 988 HIS A O \n2306 C CB . HIS A 296 ? 1.4909 1.4523 1.4595 0.0315 0.1162 -0.0079 988 HIS A CB \n2307 C CG . HIS A 296 ? 1.7146 1.6561 1.6601 0.0335 0.1148 -0.0096 988 HIS A CG \n2308 N ND1 . HIS A 296 ? 1.6524 1.5779 1.5781 0.0295 0.1136 -0.0084 988 HIS A ND1 \n2309 C CD2 . HIS A 296 ? 1.6681 1.6020 1.6065 0.0389 0.1138 -0.0122 988 HIS A CD2 \n2310 C CE1 . HIS A 296 ? 1.5913 1.5005 1.4989 0.0323 0.1119 -0.0102 988 HIS A CE1 \n2311 N NE2 . HIS A 296 ? 1.5946 1.5085 1.5094 0.0380 0.1121 -0.0126 988 HIS A NE2 \n2312 N N . LEU A 297 ? 0.7822 0.7659 0.7861 0.0310 0.0958 -0.0072 989 LEU A N \n2313 C CA . LEU A 297 ? 0.9211 0.9070 0.9312 0.0340 0.0893 -0.0086 989 LEU A CA \n2314 C C . LEU A 297 ? 1.0864 1.0735 1.0982 0.0406 0.0943 -0.0112 989 LEU A C \n2315 O O . LEU A 297 ? 0.8567 0.8540 0.8789 0.0428 0.1019 -0.0114 989 LEU A O \n2316 C CB . LEU A 297 ? 0.8475 0.8472 0.8758 0.0318 0.0840 -0.0074 989 LEU A CB \n2317 C CG . LEU A 297 ? 0.8525 0.8489 0.8785 0.0270 0.0753 -0.0059 989 LEU A CG \n2318 C CD1 . LEU A 297 ? 0.8156 0.8254 0.8593 0.0258 0.0710 -0.0052 989 LEU A CD1 \n2319 C CD2 . LEU A 297 ? 0.6451 0.6285 0.6578 0.0276 0.0689 -0.0069 989 LEU A CD2 \n2320 N N . PRO A 298 ? 1.1030 1.0796 1.1047 0.0437 0.0898 -0.0130 990 PRO A N \n2321 C CA . PRO A 298 ? 1.1468 1.1222 1.1483 0.0503 0.0933 -0.0156 990 PRO A CA \n2322 C C . PRO A 298 ? 1.0815 1.0734 1.1044 0.0529 0.0936 -0.0159 990 PRO A C \n2323 O O . PRO A 298 ? 1.0015 1.0022 1.0364 0.0497 0.0877 -0.0144 990 PRO A O \n2324 C CB . PRO A 298 ? 1.1898 1.1517 1.1785 0.0512 0.0851 -0.0166 990 PRO A CB \n2325 C CG . PRO A 298 ? 1.1807 1.1329 1.1573 0.0455 0.0804 -0.0148 990 PRO A CG \n2326 C CD . PRO A 298 ? 1.0711 1.0358 1.0609 0.0408 0.0808 -0.0125 990 PRO A CD \n2327 N N . SER A 299 ? 1.0622 1.0578 1.0896 0.0588 0.1003 -0.0180 991 SER A N \n2328 C CA . SER A 299 ? 1.1644 1.1743 1.2115 0.0623 0.1002 -0.0186 991 SER A CA \n2329 C C . SER A 299 ? 1.1519 1.1608 1.2021 0.0615 0.0895 -0.0185 991 SER A C \n2330 O O . SER A 299 ? 1.1508 1.1469 1.1875 0.0628 0.0847 -0.0197 991 SER A O \n2331 C CB . SER A 299 ? 1.2245 1.2337 1.2715 0.0700 0.1071 -0.0215 991 SER A CB \n2332 O OG . SER A 299 ? 1.1389 1.1625 1.2062 0.0734 0.1071 -0.0220 991 SER A OG \n2333 N N . PRO A 300 ? 1.1896 1.2117 1.2568 0.0589 0.0858 -0.0169 992 PRO A N \n2334 C CA . PRO A 300 ? 1.1501 1.1718 1.2200 0.0570 0.0760 -0.0164 992 PRO A CA \n2335 C C . PRO A 300 ? 1.2577 1.2724 1.3232 0.0620 0.0723 -0.0187 992 PRO A C \n2336 O O . PRO A 300 ? 1.3139 1.3201 1.3708 0.0602 0.0650 -0.0186 992 PRO A O \n2337 C CB . PRO A 300 ? 1.0954 1.1331 1.1855 0.0551 0.0751 -0.0149 992 PRO A CB \n2338 C CG . PRO A 300 ? 1.1592 1.2041 1.2544 0.0534 0.0828 -0.0136 992 PRO A CG \n2339 C CD . PRO A 300 ? 1.2345 1.2721 1.3189 0.0575 0.0907 -0.0154 992 PRO A CD \n2340 N N . THR A 301 ? 1.0058 1.0240 1.0773 0.0682 0.0771 -0.0206 993 THR A N \n2341 C CA . THR A 301 ? 1.1309 1.1427 1.1992 0.0737 0.0734 -0.0229 993 THR A CA \n2342 C C . THR A 301 ? 1.3328 1.3273 1.3804 0.0766 0.0743 -0.0249 993 THR A C \n2343 O O . THR A 301 ? 1.3010 1.2870 1.3424 0.0803 0.0699 -0.0266 993 THR A O \n2344 C CB . THR A 301 ? 1.1084 1.1311 1.1929 0.0797 0.0772 -0.0244 993 THR A CB \n2345 O OG1 . THR A 301 ? 1.1895 1.2200 1.2798 0.0811 0.0873 -0.0244 993 THR A OG1 \n2346 C CG2 . THR A 301 ? 1.0346 1.0696 1.1366 0.0774 0.0714 -0.0228 993 THR A CG2 \n2347 N N . ASP A 302 ? 1.4030 1.3914 1.4392 0.0749 0.0797 -0.0246 994 ASP A N \n2348 C CA . ASP A 302 ? 1.2990 1.2692 1.3133 0.0765 0.0798 -0.0260 994 ASP A CA \n2349 C C . ASP A 302 ? 1.1727 1.1328 1.1756 0.0708 0.0706 -0.0244 994 ASP A C \n2350 O O . ASP A 302 ? 1.1835 1.1277 1.1680 0.0712 0.0686 -0.0252 994 ASP A O \n2351 C CB . ASP A 302 ? 1.3105 1.2771 1.3158 0.0767 0.0892 -0.0263 994 ASP A CB \n2352 C CG . ASP A 302 ? 1.3941 1.3683 1.4078 0.0831 0.0992 -0.0284 994 ASP A CG \n2353 O OD1 . ASP A 302 ? 1.2311 1.2166 1.2614 0.0869 0.0987 -0.0292 994 ASP A OD1 \n2354 O OD2 . ASP A 302 ? 1.2450 1.2140 1.2488 0.0844 0.1076 -0.0292 994 ASP A OD2 \n2355 N N . SER A 303 ? 1.0468 1.0163 1.0608 0.0657 0.0652 -0.0222 995 SER A N \n2356 C CA . SER A 303 ? 0.9300 0.8923 0.9361 0.0603 0.0567 -0.0206 995 SER A CA \n2357 C C . SER A 303 ? 0.9723 0.9255 0.9718 0.0626 0.0500 -0.0218 995 SER A C \n2358 O O . SER A 303 ? 0.9060 0.8628 0.9127 0.0671 0.0499 -0.0233 995 SER A O \n2359 C CB . SER A 303 ? 0.9694 0.9441 0.9893 0.0548 0.0530 -0.0182 995 SER A CB \n2360 O OG . SER A 303 ? 0.7121 0.6917 0.7406 0.0546 0.0469 -0.0181 995 SER A OG \n2361 N N . ASN A 304 ? 0.9182 0.8593 0.9039 0.0592 0.0440 -0.0210 996 ASN A N \n2362 C CA . ASN A 304 ? 0.9673 0.8986 0.9452 0.0599 0.0369 -0.0217 996 ASN A CA \n2363 C C . ASN A 304 ? 0.9795 0.9208 0.9711 0.0583 0.0316 -0.0208 996 ASN A C \n2364 O O . ASN A 304 ? 0.9483 0.8872 0.9406 0.0619 0.0290 -0.0222 996 ASN A O \n2365 C CB . ASN A 304 ? 0.8458 0.7637 0.8079 0.0554 0.0313 -0.0204 996 ASN A CB \n2366 C CG . ASN A 304 ? 0.9948 0.8992 0.9400 0.0576 0.0355 -0.0215 996 ASN A CG \n2367 O OD1 . ASN A 304 ? 0.9191 0.8199 0.8604 0.0636 0.0415 -0.0238 996 ASN A OD1 \n2368 N ND2 . ASN A 304 ? 0.8242 0.7209 0.7593 0.0528 0.0325 -0.0199 996 ASN A ND2 \n2369 N N . PHE A 305 ? 0.8717 0.8238 0.8738 0.0530 0.0301 -0.0187 997 PHE A N \n2370 C CA . PHE A 305 ? 0.5837 0.5446 0.5974 0.0506 0.0251 -0.0178 997 PHE A CA \n2371 C C . PHE A 305 ? 0.6597 0.6282 0.6849 0.0555 0.0270 -0.0191 997 PHE A C \n2372 O O . PHE A 305 ? 0.7922 0.7591 0.8187 0.0560 0.0217 -0.0193 997 PHE A O \n2373 C CB . PHE A 305 ? 0.6989 0.6702 0.7218 0.0449 0.0244 -0.0156 997 PHE A CB \n2374 C CG . PHE A 305 ? 0.5710 0.5466 0.5998 0.0411 0.0179 -0.0145 997 PHE A CG \n2375 C CD1 . PHE A 305 ? 0.5133 0.4985 0.5547 0.0421 0.0174 -0.0146 997 PHE A CD1 \n2376 C CD2 . PHE A 305 ? 0.6193 0.5889 0.6406 0.0364 0.0123 -0.0133 997 PHE A CD2 \n2377 C CE1 . PHE A 305 ? 0.4505 0.4383 0.4956 0.0385 0.0118 -0.0136 997 PHE A CE1 \n2378 C CE2 . PHE A 305 ? 0.6139 0.5873 0.6400 0.0328 0.0070 -0.0122 997 PHE A CE2 \n2379 C CZ . PHE A 305 ? 0.4722 0.4542 0.5094 0.0338 0.0069 -0.0124 997 PHE A CZ \n2380 N N . TYR A 306 ? 0.5537 0.5301 0.5872 0.0589 0.0342 -0.0198 998 TYR A N \n2381 C CA . TYR A 306 ? 0.6233 0.6085 0.6701 0.0635 0.0360 -0.0210 998 TYR A CA \n2382 C C . TYR A 306 ? 0.6620 0.6372 0.7016 0.0695 0.0342 -0.0233 998 TYR A C \n2383 O O . TYR A 306 ? 0.6307 0.6072 0.6756 0.0707 0.0291 -0.0236 998 TYR A O \n2384 C CB . TYR A 306 ? 0.6187 0.6147 0.6762 0.0658 0.0446 -0.0212 998 TYR A CB \n2385 C CG . TYR A 306 ? 0.6522 0.6584 0.7253 0.0704 0.0460 -0.0221 998 TYR A CG \n2386 C CD1 . TYR A 306 ? 0.7964 0.8152 0.8852 0.0677 0.0439 -0.0206 998 TYR A CD1 \n2387 C CD2 . TYR A 306 ? 0.8168 0.8194 0.8888 0.0777 0.0491 -0.0247 998 TYR A CD2 \n2388 C CE1 . TYR A 306 ? 0.8622 0.8901 0.9657 0.0717 0.0443 -0.0212 998 TYR A CE1 \n2389 C CE2 . TYR A 306 ? 0.8160 0.8283 0.9035 0.0822 0.0499 -0.0256 998 TYR A CE2 \n2390 C CZ . TYR A 306 ? 0.9878 1.0128 1.0913 0.0789 0.0472 -0.0237 998 TYR A CZ \n2391 O OH . TYR A 306 ? 1.0108 1.0453 1.1301 0.0831 0.0472 -0.0244 998 TYR A OH \n2392 N N . ARG A 307 ? 0.7174 0.6820 0.7441 0.0731 0.0381 -0.0250 999 ARG A N \n2393 C CA . ARG A 307 ? 0.8550 0.8086 0.8730 0.0794 0.0367 -0.0275 999 ARG A CA \n2394 C C . ARG A 307 ? 0.9285 0.8721 0.9382 0.0771 0.0269 -0.0270 999 ARG A C \n2395 O O . ARG A 307 ? 0.7012 0.6425 0.7131 0.0810 0.0233 -0.0283 999 ARG A O \n2396 C CB . ARG A 307 ? 0.9740 0.9158 0.9767 0.0830 0.0423 -0.0293 999 ARG A CB \n2397 C CG . ARG A 307 ? 0.9624 0.9122 0.9726 0.0881 0.0527 -0.0309 999 ARG A CG \n2398 C CD . ARG A 307 ? 1.1962 1.1316 1.1893 0.0932 0.0575 -0.0334 999 ARG A CD \n2399 N NE . ARG A 307 ? 1.2909 1.2335 1.2903 0.0984 0.0684 -0.0352 999 ARG A NE \n2400 C CZ . ARG A 307 ? 1.1736 1.1212 1.1823 0.1060 0.0723 -0.0377 999 ARG A CZ \n2401 N NH1 . ARG A 307 ? 1.0498 1.0047 1.0644 0.1101 0.0829 -0.0390 999 ARG A NH1 \n2402 N NH2 . ARG A 307 ? 0.9480 0.8934 0.9601 0.1095 0.0657 -0.0389 999 ARG A NH2 \n2403 N N . ALA A 308 ? 0.7442 0.6822 0.7448 0.0705 0.0226 -0.0250 1000 ALA A N \n2404 C CA . ALA A 308 ? 0.8914 0.8215 0.8849 0.0663 0.0134 -0.0238 1000 ALA A CA \n2405 C C . ALA A 308 ? 0.9300 0.8682 0.9354 0.0649 0.0086 -0.0230 1000 ALA A C \n2406 O O . ALA A 308 ? 0.8472 0.7773 0.8462 0.0638 0.0016 -0.0228 1000 ALA A O \n2407 C CB . ALA A 308 ? 0.5397 0.4677 0.5269 0.0589 0.0109 -0.0214 1000 ALA A CB \n2408 N N . LEU A 309 ? 0.5935 0.5469 0.6153 0.0647 0.0120 -0.0224 1001 LEU A N \n2409 C CA . LEU A 309 ? 0.5147 0.4758 0.5478 0.0631 0.0077 -0.0216 1001 LEU A CA \n2410 C C . LEU A 309 ? 0.6766 0.6404 0.7181 0.0698 0.0082 -0.0235 1001 LEU A C \n2411 O O . LEU A 309 ? 0.6805 0.6418 0.7232 0.0700 0.0020 -0.0235 1001 LEU A O \n2412 C CB . LEU A 309 ? 0.5725 0.5480 0.6186 0.0586 0.0101 -0.0197 1001 LEU A CB \n2413 C CG . LEU A 309 ? 0.5529 0.5297 0.5978 0.0510 0.0053 -0.0175 1001 LEU A CG \n2414 C CD1 . LEU A 309 ? 0.6187 0.5872 0.6508 0.0476 0.0047 -0.0167 1001 LEU A CD1 \n2415 C CD2 . LEU A 309 ? 0.5059 0.4968 0.5648 0.0481 0.0077 -0.0162 1001 LEU A CD2 \n2416 N N . MET A 310 ? 0.6670 0.6361 0.7145 0.0753 0.0156 -0.0251 1002 MET A N \n2417 C CA . MET A 310 ? 0.7759 0.7525 0.8369 0.0814 0.0172 -0.0266 1002 MET A CA \n2418 C C . MET A 310 ? 0.8752 0.8422 0.9299 0.0895 0.0178 -0.0296 1002 MET A C \n2419 O O . MET A 310 ? 0.7655 0.7355 0.8294 0.0943 0.0156 -0.0308 1002 MET A O \n2420 C CB . MET A 310 ? 0.7211 0.7130 0.7973 0.0821 0.0250 -0.0262 1002 MET A CB \n2421 C CG . MET A 310 ? 0.8481 0.8499 0.9318 0.0747 0.0244 -0.0234 1002 MET A CG \n2422 S SD . MET A 310 ? 0.8166 0.8200 0.9049 0.0698 0.0148 -0.0216 1002 MET A SD \n2423 C CE . MET A 310 ? 0.8744 0.8854 0.9788 0.0759 0.0136 -0.0229 1002 MET A CE \n2424 N N . ASP A 311 ? 0.9365 0.8916 0.9755 0.0912 0.0203 -0.0308 1003 ASP A N \n2425 C CA . ASP A 311 ? 1.1948 1.1396 1.2260 0.0994 0.0219 -0.0341 1003 ASP A CA \n2426 C C . ASP A 311 ? 1.1255 1.0573 1.1479 0.1012 0.0126 -0.0349 1003 ASP A C \n2427 O O . ASP A 311 ? 1.1393 1.0642 1.1587 0.1088 0.0129 -0.0378 1003 ASP A O \n2428 C CB . ASP A 311 ? 1.1500 1.0846 1.1655 0.1006 0.0275 -0.0352 1003 ASP A CB \n2429 C CG . ASP A 311 ? 1.2027 1.1484 1.2268 0.1027 0.0384 -0.0357 1003 ASP A CG \n2430 O OD1 . ASP A 311 ? 1.1370 1.0982 1.1768 0.0993 0.0407 -0.0338 1003 ASP A OD1 \n2431 O OD2 . ASP A 311 ? 1.4065 1.3447 1.4208 0.1075 0.0445 -0.0379 1003 ASP A OD2 \n2432 N N . GLU A 312 ? 1.0995 1.0280 1.1177 0.0941 0.0047 -0.0325 1004 GLU A N \n2433 C CA . GLU A 312 ? 1.2079 1.1246 1.2180 0.0943 -0.0045 -0.0327 1004 GLU A CA \n2434 C C . GLU A 312 ? 1.1771 1.0982 1.1993 0.1009 -0.0063 -0.0345 1004 GLU A C \n2435 O O . GLU A 312 ? 1.0493 0.9855 1.0893 0.1013 -0.0036 -0.0339 1004 GLU A O \n2436 C CB . GLU A 312 ? 1.2077 1.1246 1.2158 0.0850 -0.0114 -0.0294 1004 GLU A CB \n2437 C CG . GLU A 312 ? 1.2246 1.1282 1.2222 0.0836 -0.0212 -0.0291 1004 GLU A CG \n2438 C CD . GLU A 312 ? 1.3187 1.2237 1.3149 0.0741 -0.0269 -0.0258 1004 GLU A CD \n2439 O OE1 . GLU A 312 ? 1.0602 0.9566 1.0502 0.0721 -0.0348 -0.0252 1004 GLU A OE1 \n2440 O OE2 . GLU A 312 ? 1.0657 0.9800 1.0666 0.0687 -0.0234 -0.0240 1004 GLU A OE2 \n2441 N N . GLU A 313 ? 1.2401 1.1473 1.2526 0.1061 -0.0114 -0.0365 1005 GLU A N \n2442 C CA . GLU A 313 ? 1.3509 1.2601 1.3737 0.1134 -0.0139 -0.0386 1005 GLU A CA \n2443 C C . GLU A 313 ? 1.3670 1.2826 1.4002 0.1091 -0.0212 -0.0364 1005 GLU A C \n2444 O O . GLU A 313 ? 1.4257 1.3496 1.4739 0.1138 -0.0217 -0.0374 1005 GLU A O \n2445 C CB . GLU A 313 ? 1.3511 1.2418 1.3587 0.1197 -0.0184 -0.0413 1005 GLU A CB \n2446 C CG . GLU A 313 ? 1.4030 1.2900 1.4061 0.1280 -0.0100 -0.0447 1005 GLU A CG \n2447 C CD . GLU A 313 ? 1.4556 1.3215 1.4394 0.1332 -0.0146 -0.0473 1005 GLU A CD \n2448 O OE1 . GLU A 313 ? 1.2632 1.1232 1.2395 0.1395 -0.0079 -0.0501 1005 GLU A OE1 \n2449 O OE2 . GLU A 313 ? 1.3645 1.2187 1.3395 0.1308 -0.0248 -0.0464 1005 GLU A OE2 \n2450 N N . ASP A 314 ? 1.5115 1.4232 1.5368 0.1000 -0.0267 -0.0335 1006 ASP A N \n2451 C CA . ASP A 314 ? 1.5722 1.4894 1.6053 0.0947 -0.0330 -0.0311 1006 ASP A CA \n2452 C C . ASP A 314 ? 1.4561 1.3925 1.5094 0.0942 -0.0278 -0.0303 1006 ASP A C \n2453 O O . ASP A 314 ? 1.3729 1.3149 1.4371 0.0941 -0.0321 -0.0297 1006 ASP A O \n2454 C CB . ASP A 314 ? 1.5887 1.4996 1.6096 0.0848 -0.0378 -0.0282 1006 ASP A CB \n2455 C CG . ASP A 314 ? 1.5604 1.4523 1.5633 0.0840 -0.0461 -0.0283 1006 ASP A CG \n2456 O OD1 . ASP A 314 ? 1.4088 1.2927 1.4103 0.0902 -0.0506 -0.0302 1006 ASP A OD1 \n2457 O OD2 . ASP A 314 ? 1.4157 1.3007 1.4062 0.0771 -0.0484 -0.0264 1006 ASP A OD2 \n2458 N N . MET A 315 ? 1.2051 1.1505 1.2626 0.0935 -0.0190 -0.0302 1007 MET A N \n2459 C CA . MET A 315 ? 1.1385 1.1017 1.2148 0.0940 -0.0131 -0.0296 1007 MET A CA \n2460 C C . MET A 315 ? 1.2377 1.2057 1.3253 0.1037 -0.0090 -0.0325 1007 MET A C \n2461 O O . MET A 315 ? 1.3695 1.3422 1.4596 0.1075 -0.0003 -0.0339 1007 MET A O \n2462 C CB . MET A 315 ? 1.0381 1.0079 1.1136 0.0898 -0.0054 -0.0285 1007 MET A CB \n2463 C CG . MET A 315 ? 0.8406 0.8029 0.9019 0.0818 -0.0082 -0.0264 1007 MET A CG \n2464 S SD . MET A 315 ? 0.8532 0.8189 0.9172 0.0730 -0.0155 -0.0234 1007 MET A SD \n2465 C CE . MET A 315 ? 0.7163 0.7010 0.7988 0.0708 -0.0095 -0.0220 1007 MET A CE \n2466 N N . ASP A 316 ? 1.3918 1.3585 1.4860 0.1076 -0.0154 -0.0333 1008 ASP A N \n2467 C CA . ASP A 316 ? 1.3811 1.3507 1.4855 0.1176 -0.0130 -0.0363 1008 ASP A CA \n2468 C C . ASP A 316 ? 1.2967 1.2857 1.4229 0.1198 -0.0054 -0.0361 1008 ASP A C \n2469 O O . ASP A 316 ? 1.2923 1.2873 1.4204 0.1218 0.0041 -0.0370 1008 ASP A O \n2470 C CB . ASP A 316 ? 1.5407 1.5023 1.6457 0.1208 -0.0233 -0.0370 1008 ASP A CB \n2471 C CG . ASP A 316 ? 1.5026 1.4633 1.6144 0.1321 -0.0217 -0.0407 1008 ASP A CG \n2472 O OD1 . ASP A 316 ? 0.9855 0.9578 1.1165 0.1362 -0.0221 -0.0411 1008 ASP A OD1 \n2473 O OD2 . ASP A 316 ? 1.4722 1.4205 1.5703 0.1370 -0.0203 -0.0432 1008 ASP A OD2 \n2474 N N . ASP A 317 ? 1.2479 1.2462 1.3899 0.1192 -0.0101 -0.0349 1009 ASP A N \n2475 C CA . ASP A 317 ? 1.2146 1.2316 1.3785 0.1206 -0.0043 -0.0343 1009 ASP A CA \n2476 C C . ASP A 317 ? 1.1221 1.1469 1.2920 0.1116 -0.0074 -0.0308 1009 ASP A C \n2477 O O . ASP A 317 ? 0.8749 0.8976 1.0474 0.1092 -0.0163 -0.0295 1009 ASP A O \n2478 C CB . ASP A 317 ? 1.2222 1.2441 1.4022 0.1289 -0.0070 -0.0363 1009 ASP A CB \n2479 C CG . ASP A 317 ? 1.3698 1.3878 1.5478 0.1389 -0.0013 -0.0402 1009 ASP A CG \n2480 O OD1 . ASP A 317 ? 1.2606 1.2696 1.4365 0.1452 -0.0074 -0.0424 1009 ASP A OD1 \n2481 O OD2 . ASP A 317 ? 1.3719 1.3954 1.5501 0.1405 0.0093 -0.0411 1009 ASP A OD2 \n2482 N N . VAL A 318 ? 1.1107 1.1436 1.2818 0.1069 -0.0001 -0.0293 1010 VAL A N \n2483 C CA . VAL A 318 ? 0.9458 0.9838 1.1185 0.0980 -0.0025 -0.0261 1010 VAL A CA \n2484 C C . VAL A 318 ? 0.9217 0.9768 1.1124 0.0964 0.0032 -0.0246 1010 VAL A C \n2485 O O . VAL A 318 ? 0.9048 0.9681 1.1038 0.1007 0.0116 -0.0257 1010 VAL A O \n2486 C CB . VAL A 318 ? 0.9821 1.0111 1.1362 0.0917 -0.0015 -0.0251 1010 VAL A CB \n2487 C CG1 . VAL A 318 ? 1.0631 1.0754 1.2000 0.0916 -0.0088 -0.0259 1010 VAL A CG1 \n2488 C CG2 . VAL A 318 ? 0.9500 0.9808 1.0999 0.0932 0.0083 -0.0261 1010 VAL A CG2 \n2489 N N . VAL A 319 ? 0.7884 0.8483 0.9844 0.0900 -0.0012 -0.0220 1011 VAL A N \n2490 C CA . VAL A 319 ? 0.7216 0.7965 0.9330 0.0869 0.0028 -0.0200 1011 VAL A CA \n2491 C C . VAL A 319 ? 0.8856 0.9594 1.0883 0.0784 0.0028 -0.0178 1011 VAL A C \n2492 O O . VAL A 319 ? 0.7692 0.8361 0.9642 0.0738 -0.0042 -0.0167 1011 VAL A O \n2493 C CB . VAL A 319 ? 0.7737 0.8567 1.0028 0.0878 -0.0032 -0.0190 1011 VAL A CB \n2494 C CG1 . VAL A 319 ? 0.8115 0.9085 1.0547 0.0834 0.0001 -0.0166 1011 VAL A CG1 \n2495 C CG2 . VAL A 319 ? 0.6617 0.7479 0.9024 0.0967 -0.0028 -0.0212 1011 VAL A CG2 \n2496 N N . ASP A 320 ? 0.8943 0.9746 1.0983 0.0765 0.0108 -0.0171 1012 ASP A N \n2497 C CA . ASP A 320 ? 0.9051 0.9855 1.1025 0.0691 0.0117 -0.0152 1012 ASP A CA \n2498 C C . ASP A 320 ? 0.8442 0.9289 1.0489 0.0641 0.0053 -0.0130 1012 ASP A C \n2499 O O . ASP A 320 ? 0.7356 0.8291 0.9560 0.0656 0.0038 -0.0123 1012 ASP A O \n2500 C CB . ASP A 320 ? 0.9345 1.0230 1.1359 0.0685 0.0211 -0.0147 1012 ASP A CB \n2501 C CG . ASP A 320 ? 1.1620 1.2475 1.3527 0.0621 0.0224 -0.0133 1012 ASP A CG \n2502 O OD1 . ASP A 320 ? 1.2353 1.3109 1.4108 0.0617 0.0231 -0.0142 1012 ASP A OD1 \n2503 O OD2 . ASP A 320 ? 1.1828 1.2757 1.3807 0.0576 0.0226 -0.0114 1012 ASP A OD2 \n2504 N N . ALA A 321 ? 0.5800 0.6584 0.7737 0.0583 0.0016 -0.0120 1013 ALA A N \n2505 C CA . ALA A 321 ? 0.6606 0.7410 0.8583 0.0534 -0.0043 -0.0102 1013 ALA A CA \n2506 C C . ALA A 321 ? 0.7590 0.8517 0.9715 0.0514 -0.0017 -0.0084 1013 ALA A C \n2507 O O . ALA A 321 ? 0.7342 0.8301 0.9551 0.0497 -0.0072 -0.0071 1013 ALA A O \n2508 C CB . ALA A 321 ? 0.7095 0.7819 0.8927 0.0476 -0.0069 -0.0096 1013 ALA A CB \n2509 N N . ASP A 322 ? 0.6516 0.7502 0.8662 0.0513 0.0060 -0.0082 1014 ASP A N \n2510 C CA . ASP A 322 ? 0.8273 0.9376 1.0556 0.0493 0.0092 -0.0064 1014 ASP A CA \n2511 C C . ASP A 322 ? 0.8225 0.9420 1.0687 0.0536 0.0089 -0.0063 1014 ASP A C \n2512 O O . ASP A 322 ? 0.9168 1.0441 1.1756 0.0512 0.0063 -0.0044 1014 ASP A O \n2513 C CB . ASP A 322 ? 0.9484 1.0616 1.1736 0.0485 0.0179 -0.0063 1014 ASP A CB \n2514 C CG . ASP A 322 ? 0.9938 1.0991 1.2034 0.0441 0.0180 -0.0062 1014 ASP A CG \n2515 O OD1 . ASP A 322 ? 1.1208 1.2225 1.3216 0.0450 0.0234 -0.0071 1014 ASP A OD1 \n2516 O OD2 . ASP A 322 ? 1.0642 1.1666 1.2703 0.0398 0.0126 -0.0053 1014 ASP A OD2 \n2517 N N . GLU A 323 ? 0.7600 0.8784 1.0073 0.0599 0.0113 -0.0084 1015 GLU A N \n2518 C CA . GLU A 323 ? 0.9332 1.0605 1.1980 0.0651 0.0114 -0.0087 1015 GLU A CA \n2519 C C . GLU A 323 ? 0.8977 1.0222 1.1676 0.0658 0.0011 -0.0085 1015 GLU A C \n2520 O O . GLU A 323 ? 0.8178 0.9513 1.1049 0.0675 -0.0012 -0.0076 1015 GLU A O \n2521 C CB . GLU A 323 ? 0.9994 1.1254 1.2624 0.0723 0.0175 -0.0114 1015 GLU A CB \n2522 C CG . GLU A 323 ? 1.2026 1.3410 1.4854 0.0779 0.0213 -0.0119 1015 GLU A CG \n2523 C CD . GLU A 323 ? 1.3718 1.5076 1.6513 0.0854 0.0276 -0.0149 1015 GLU A CD \n2524 O OE1 . GLU A 323 ? 1.4469 1.5725 1.7086 0.0855 0.0310 -0.0163 1015 GLU A OE1 \n2525 O OE2 . GLU A 323 ? 1.4349 1.5786 1.7296 0.0915 0.0290 -0.0160 1015 GLU A OE2 \n2526 N N . TYR A 324 ? 0.7778 0.8895 1.0324 0.0642 -0.0050 -0.0091 1016 TYR A N \n2527 C CA . TYR A 324 ? 0.7955 0.9016 1.0509 0.0642 -0.0153 -0.0088 1016 TYR A CA \n2528 C C . TYR A 324 ? 0.8272 0.9353 1.0860 0.0577 -0.0208 -0.0063 1016 TYR A C \n2529 O O . TYR A 324 ? 0.9020 1.0115 1.1703 0.0581 -0.0279 -0.0054 1016 TYR A O \n2530 C CB . TYR A 324 ? 0.9663 1.0574 1.2032 0.0645 -0.0195 -0.0103 1016 TYR A CB \n2531 C CG . TYR A 324 ? 0.9966 1.0793 1.2290 0.0619 -0.0300 -0.0095 1016 TYR A CG \n2532 C CD1 . TYR A 324 ? 1.0568 1.1350 1.2801 0.0548 -0.0334 -0.0079 1016 TYR A CD1 \n2533 C CD2 . TYR A 324 ? 0.8997 0.9781 1.1360 0.0666 -0.0367 -0.0105 1016 TYR A CD2 \n2534 C CE1 . TYR A 324 ? 1.1146 1.1843 1.3324 0.0522 -0.0426 -0.0072 1016 TYR A CE1 \n2535 C CE2 . TYR A 324 ? 0.9442 1.0137 1.1751 0.0638 -0.0466 -0.0097 1016 TYR A CE2 \n2536 C CZ . TYR A 324 ? 1.1348 1.1998 1.3559 0.0564 -0.0493 -0.0080 1016 TYR A CZ \n2537 O OH . TYR A 324 ? 1.0923 1.1476 1.3063 0.0534 -0.0587 -0.0072 1016 TYR A OH \n2538 N N . LEU A 325 ? 0.8852 0.9924 1.1356 0.0521 -0.0179 -0.0052 1017 LEU A N \n2539 C CA . LEU A 325 ? 0.8728 0.9807 1.1242 0.0460 -0.0225 -0.0031 1017 LEU A CA \n2540 C C . LEU A 325 ? 0.8820 1.0022 1.1468 0.0439 -0.0178 -0.0013 1017 LEU A C \n2541 O O . LEU A 325 ? 0.9603 1.0889 1.2414 0.0449 -0.0201 0.0000 1017 LEU A O \n2542 C CB . LEU A 325 ? 1.1072 1.2053 1.3403 0.0410 -0.0233 -0.0031 1017 LEU A CB \n2543 C CG . LEU A 325 ? 1.3628 1.4608 1.5937 0.0346 -0.0258 -0.0014 1017 LEU A CG \n2544 C CD1 . LEU A 325 ? 1.4320 1.5260 1.6651 0.0327 -0.0351 -0.0003 1017 LEU A CD1 \n2545 C CD2 . LEU A 325 ? 1.2948 1.3856 1.5092 0.0310 -0.0236 -0.0020 1017 LEU A CD2 \n2546 C C1 . W32 B . ? 0.3488 0.3979 0.4502 -0.0021 -0.0090 -0.0069 1101 W32 A C1 \n2547 C C2 . W32 B . ? 0.3304 0.3824 0.4388 0.0006 -0.0086 -0.0068 1101 W32 A C2 \n2548 C C3 . W32 B . ? 0.3084 0.3425 0.3969 0.0079 -0.0063 -0.0070 1101 W32 A C3 \n2549 C C4 . W32 B . ? 0.3327 0.3768 0.4287 -0.0018 -0.0102 -0.0066 1101 W32 A C4 \n2550 C C5 . W32 B . ? 0.3174 0.3543 0.4079 0.0049 -0.0078 -0.0067 1101 W32 A C5 \n2551 C C6 . W32 B . ? 0.3119 0.3574 0.4166 0.0048 -0.0099 -0.0067 1101 W32 A C6 \n2552 C C7 . W32 B . ? 0.3057 0.3331 0.3928 0.0119 -0.0105 -0.0074 1101 W32 A C7 \n2553 C C8 . W32 B . ? 0.3558 0.3896 0.4565 0.0258 0.0003 -0.0094 1101 W32 A C8 \n2554 C C9 . W32 B . ? 0.4116 0.4324 0.4927 0.0225 -0.0010 -0.0092 1101 W32 A C9 \n2555 C C10 . W32 B . ? 0.2743 0.3251 0.3848 0.0040 -0.0089 -0.0066 1101 W32 A C10 \n2556 C C11 . W32 B . ? 0.3278 0.3571 0.4143 0.0114 -0.0073 -0.0074 1101 W32 A C11 \n2557 C C12 . W32 B . ? 0.3650 0.4069 0.4621 0.0017 -0.0109 -0.0066 1101 W32 A C12 \n2558 C C13 . W32 B . ? 0.3118 0.3462 0.4019 0.0051 -0.0108 -0.0067 1101 W32 A C13 \n2559 C C14 . W32 B . ? 0.3293 0.3590 0.4181 0.0086 -0.0125 -0.0070 1101 W32 A C14 \n2560 C C15 . W32 B . ? 0.3358 0.3580 0.4212 0.0274 0.0021 -0.0101 1101 W32 A C15 \n2561 C C16 . W32 B . ? 0.4117 0.4379 0.4987 0.0196 -0.0029 -0.0086 1101 W32 A C16 \n2562 C C17 . W32 B . ? 0.4094 0.4229 0.4802 0.0202 -0.0026 -0.0089 1101 W32 A C17 \n2563 C C18 . W32 B . ? 0.3766 0.3848 0.4408 0.0216 -0.0008 -0.0092 1101 W32 A C18 \n2564 C C19 . W32 B . ? 0.5119 0.5121 0.5659 0.0185 -0.0041 -0.0086 1101 W32 A C19 \n2565 C C20 . W32 B . ? 0.4085 0.4176 0.4743 0.0256 0.0042 -0.0100 1101 W32 A C20 \n2566 C C21 . W32 B . ? 0.3992 0.4070 0.4671 0.0306 0.0046 -0.0112 1101 W32 A C21 \n2567 C C22 . W32 B . ? 1.0864 1.0790 1.1254 0.0035 -0.0118 -0.0045 1101 W32 A C22 \n2568 C C23 . W32 B . ? 0.6635 0.6600 0.7102 0.0099 -0.0106 -0.0066 1101 W32 A C23 \n2569 C C24 . W32 B . ? 0.7736 0.7706 0.8194 0.0090 -0.0088 -0.0063 1101 W32 A C24 \n2570 C C25 . W32 B . ? 0.2907 0.3458 0.4100 0.0068 -0.0081 -0.0064 1101 W32 A C25 \n2571 N N26 . W32 B . ? 0.3345 0.3640 0.4305 0.0291 0.0030 -0.0102 1101 W32 A N26 \n2572 N N27 . W32 B . ? 0.3665 0.3987 0.4627 0.0212 -0.0024 -0.0087 1101 W32 A N27 \n2573 N N28 . W32 B . ? 0.3585 0.3756 0.4385 0.0312 0.0051 -0.0111 1101 W32 A N28 \n2574 N N29 . W32 B . ? 0.3213 0.3467 0.4044 0.0147 -0.0055 -0.0079 1101 W32 A N29 \n2575 N N30 . W32 B . ? 0.4898 0.4922 0.5444 0.0136 -0.0073 -0.0075 1101 W32 A N30 \n2576 O O31 . W32 B . ? 0.6301 0.6221 0.6755 0.0204 -0.0040 -0.0090 1101 W32 A O31 \n2577 O O32 . W32 B . ? 0.7976 0.7911 0.8373 0.0001 -0.0162 -0.0040 1101 W32 A O32 \n2578 O O33 . W32 B . ? 1.0303 1.0076 1.0557 0.0072 -0.0152 -0.0054 1101 W32 A O33 \n2579 O O34 . W32 B . ? 0.3399 0.3755 0.4303 0.0020 -0.0125 -0.0064 1101 W32 A O34 \n2580 F F35 . W32 B . ? 0.3839 0.4435 0.5071 0.0076 -0.0044 -0.0063 1101 W32 A F35 \n2581 F F36 . W32 B . ? 0.3739 0.4273 0.4947 0.0101 -0.0087 -0.0064 1101 W32 A F36 \n2582 F F37 . W32 B . ? 0.3464 0.4030 0.4690 0.0054 -0.0102 -0.0061 1101 W32 A F37 \n2583 S S38 . W32 B . ? 1.0567 1.0459 1.0932 0.0047 -0.0136 -0.0050 1101 W32 A S38 \n2584 CL CL1 . W32 B . ? 0.3946 0.4202 0.4828 0.0089 -0.0173 -0.0069 1101 W32 A CL1 \n# \nloop_\n_pdbx_poly_seq_scheme.asym_id \n_pdbx_poly_seq_scheme.entity_id \n_pdbx_poly_seq_scheme.seq_id \n_pdbx_poly_seq_scheme.mon_id \n_pdbx_poly_seq_scheme.ndb_seq_num \n_pdbx_poly_seq_scheme.pdb_seq_num \n_pdbx_poly_seq_scheme.auth_seq_num \n_pdbx_poly_seq_scheme.pdb_mon_id \n_pdbx_poly_seq_scheme.auth_mon_id \n_pdbx_poly_seq_scheme.pdb_strand_id \n_pdbx_poly_seq_scheme.pdb_ins_code \n_pdbx_poly_seq_scheme.hetero \nA 1 1 GLY 1 693 ? ? ? A . n \nA 1 2 ALA 2 694 ? ? ? A . n \nA 1 3 MET 3 695 ? ? ? A . n \nA 1 4 GLY 4 696 ? ? ? A . n \nA 1 5 GLU 5 697 ? ? ? A . n \nA 1 6 ALA 6 698 ? ? ? A . n \nA 1 7 PRO 7 699 ? ? ? A . n \nA 1 8 ASN 8 700 ? ? ? A . n \nA 1 9 GLN 9 701 701 GLN GLN A . n \nA 1 10 ALA 10 702 702 ALA ALA A . n \nA 1 11 LEU 11 703 703 LEU LEU A . n \nA 1 12 LEU 12 704 704 LEU LEU A . n \nA 1 13 ARG 13 705 705 ARG ARG A . n \nA 1 14 ILE 14 706 706 ILE ILE A . n \nA 1 15 LEU 15 707 707 LEU LEU A . n \nA 1 16 LYS 16 708 708 LYS LYS A . n \nA 1 17 GLU 17 709 709 GLU GLU A . n \nA 1 18 THR 18 710 710 THR THR A . n \nA 1 19 GLU 19 711 711 GLU GLU A . n \nA 1 20 PHE 20 712 712 PHE PHE A . n \nA 1 21 LYS 21 713 713 LYS LYS A . n \nA 1 22 LYS 22 714 714 LYS LYS A . n \nA 1 23 ILE 23 715 715 ILE ILE A . n \nA 1 24 LYS 24 716 716 LYS LYS A . n \nA 1 25 VAL 25 717 717 VAL VAL A . n \nA 1 26 LEU 26 718 718 LEU LEU A . n \nA 1 27 GLY 27 719 719 GLY GLY A . n \nA 1 28 SER 28 720 720 SER SER A . n \nA 1 29 GLY 29 721 721 GLY GLY A . n \nA 1 30 ALA 30 722 722 ALA ALA A . n \nA 1 31 PHE 31 723 723 PHE PHE A . n \nA 1 32 GLY 32 724 724 GLY GLY A . n \nA 1 33 THR 33 725 725 THR THR A . n \nA 1 34 VAL 34 726 726 VAL VAL A . n \nA 1 35 TYR 35 727 727 TYR TYR A . n \nA 1 36 LYS 36 728 728 LYS LYS A . n \nA 1 37 GLY 37 729 729 GLY GLY A . n \nA 1 38 LEU 38 730 730 LEU LEU A . n \nA 1 39 TRP 39 731 731 TRP TRP A . n \nA 1 40 ILE 40 732 732 ILE ILE A . n \nA 1 41 PRO 41 733 733 PRO PRO A . n \nA 1 42 GLU 42 734 734 GLU GLU A . n \nA 1 43 GLY 43 735 735 GLY GLY A . n \nA 1 44 GLU 44 736 736 GLU GLU A . n \nA 1 45 LYS 45 737 737 LYS LYS A . n \nA 1 46 VAL 46 738 738 VAL VAL A . n \nA 1 47 LYS 47 739 739 LYS LYS A . n \nA 1 48 ILE 48 740 740 ILE ILE A . n \nA 1 49 PRO 49 741 741 PRO PRO A . n \nA 1 50 VAL 50 742 742 VAL VAL A . n \nA 1 51 ALA 51 743 743 ALA ALA A . n \nA 1 52 ILE 52 744 744 ILE ILE A . n \nA 1 53 LYS 53 745 745 LYS LYS A . n \nA 1 54 GLU 54 746 746 GLU GLU A . n \nA 1 55 LEU 55 747 747 LEU LEU A . n \nA 1 56 ARG 56 748 748 ARG ARG A . n \nA 1 57 GLU 57 749 749 GLU GLU A . n \nA 1 58 ALA 58 750 750 ALA ALA A . n \nA 1 59 THR 59 751 751 THR THR A . n \nA 1 60 SER 60 752 752 SER SER A . n \nA 1 61 PRO 61 753 753 PRO PRO A . n \nA 1 62 LYS 62 754 754 LYS LYS A . n \nA 1 63 ALA 63 755 755 ALA ALA A . n \nA 1 64 ASN 64 756 756 ASN ASN A . n \nA 1 65 LYS 65 757 757 LYS LYS A . n \nA 1 66 GLU 66 758 758 GLU GLU A . n \nA 1 67 ILE 67 759 759 ILE ILE A . n \nA 1 68 LEU 68 760 760 LEU LEU A . n \nA 1 69 ASP 69 761 761 ASP ASP A . n \nA 1 70 GLU 70 762 762 GLU GLU A . n \nA 1 71 ALA 71 763 763 ALA ALA A . n \nA 1 72 TYR 72 764 764 TYR TYR A . n \nA 1 73 VAL 73 765 765 VAL VAL A . n \nA 1 74 MET 74 766 766 MET MET A . n \nA 1 75 ALA 75 767 767 ALA ALA A . n \nA 1 76 SER 76 768 768 SER SER A . n \nA 1 77 VAL 77 769 769 VAL VAL A . n \nA 1 78 ASP 78 770 770 ASP ASP A . n \nA 1 79 ASN 79 771 771 ASN ASN A . n \nA 1 80 PRO 80 772 772 PRO PRO A . n \nA 1 81 HIS 81 773 773 HIS HIS A . n \nA 1 82 VAL 82 774 774 VAL VAL A . n \nA 1 83 CYS 83 775 775 CYS CYS A . n \nA 1 84 ARG 84 776 776 ARG ARG A . n \nA 1 85 LEU 85 777 777 LEU LEU A . n \nA 1 86 LEU 86 778 778 LEU LEU A . n \nA 1 87 GLY 87 779 779 GLY GLY A . n \nA 1 88 ILE 88 780 780 ILE ILE A . n \nA 1 89 CYS 89 781 781 CYS CYS A . n \nA 1 90 LEU 90 782 782 LEU LEU A . n \nA 1 91 THR 91 783 783 THR THR A . n \nA 1 92 SER 92 784 784 SER SER A . n \nA 1 93 THR 93 785 785 THR THR A . n \nA 1 94 VAL 94 786 786 VAL VAL A . n \nA 1 95 GLN 95 787 787 GLN GLN A . n \nA 1 96 LEU 96 788 788 LEU LEU A . n \nA 1 97 ILE 97 789 789 ILE ILE A . n \nA 1 98 THR 98 790 790 THR THR A . n \nA 1 99 GLN 99 791 791 GLN GLN A . n \nA 1 100 LEU 100 792 792 LEU LEU A . n \nA 1 101 MET 101 793 793 MET MET A . n \nA 1 102 PRO 102 794 794 PRO PRO A . n \nA 1 103 PHE 103 795 795 PHE PHE A . n \nA 1 104 GLY 104 796 796 GLY GLY A . n \nA 1 105 CYS 105 797 797 CYS CYS A . n \nA 1 106 LEU 106 798 798 LEU LEU A . n \nA 1 107 LEU 107 799 799 LEU LEU A . n \nA 1 108 ASP 108 800 800 ASP ASP A . n \nA 1 109 TYR 109 801 801 TYR TYR A . n \nA 1 110 VAL 110 802 802 VAL VAL A . n \nA 1 111 ARG 111 803 803 ARG ARG A . n \nA 1 112 GLU 112 804 804 GLU GLU A . n \nA 1 113 HIS 113 805 805 HIS HIS A . n \nA 1 114 LYS 114 806 806 LYS LYS A . n \nA 1 115 ASP 115 807 807 ASP ASP A . n \nA 1 116 ASN 116 808 808 ASN ASN A . n \nA 1 117 ILE 117 809 809 ILE ILE A . n \nA 1 118 GLY 118 810 810 GLY GLY A . n \nA 1 119 SER 119 811 811 SER SER A . n \nA 1 120 GLN 120 812 812 GLN GLN A . n \nA 1 121 TYR 121 813 813 TYR TYR A . n \nA 1 122 LEU 122 814 814 LEU LEU A . n \nA 1 123 LEU 123 815 815 LEU LEU A . n \nA 1 124 ASN 124 816 816 ASN ASN A . n \nA 1 125 TRP 125 817 817 TRP TRP A . n \nA 1 126 CYS 126 818 818 CYS CYS A . n \nA 1 127 VAL 127 819 819 VAL VAL A . n \nA 1 128 GLN 128 820 820 GLN GLN A . n \nA 1 129 ILE 129 821 821 ILE ILE A . n \nA 1 130 ALA 130 822 822 ALA ALA A . n \nA 1 131 LYS 131 823 823 LYS LYS A . n \nA 1 132 GLY 132 824 824 GLY GLY A . n \nA 1 133 MET 133 825 825 MET MET A . n \nA 1 134 ASN 134 826 826 ASN ASN A . n \nA 1 135 TYR 135 827 827 TYR TYR A . n \nA 1 136 LEU 136 828 828 LEU LEU A . n \nA 1 137 GLU 137 829 829 GLU GLU A . n \nA 1 138 ASP 138 830 830 ASP ASP A . n \nA 1 139 ARG 139 831 831 ARG ARG A . n \nA 1 140 ARG 140 832 832 ARG ARG A . n \nA 1 141 LEU 141 833 833 LEU LEU A . n \nA 1 142 VAL 142 834 834 VAL VAL A . n \nA 1 143 HIS 143 835 835 HIS HIS A . n \nA 1 144 ARG 144 836 836 ARG ARG A . n \nA 1 145 ASP 145 837 837 ASP ASP A . n \nA 1 146 LEU 146 838 838 LEU LEU A . n \nA 1 147 ALA 147 839 839 ALA ALA A . n \nA 1 148 ALA 148 840 840 ALA ALA A . n \nA 1 149 ARG 149 841 841 ARG ARG A . n \nA 1 150 ASN 150 842 842 ASN ASN A . n \nA 1 151 VAL 151 843 843 VAL VAL A . n \nA 1 152 LEU 152 844 844 LEU LEU A . n \nA 1 153 VAL 153 845 845 VAL VAL A . n \nA 1 154 LYS 154 846 846 LYS LYS A . n \nA 1 155 THR 155 847 847 THR THR A . n \nA 1 156 PRO 156 848 848 PRO PRO A . n \nA 1 157 GLN 157 849 849 GLN GLN A . n \nA 1 158 HIS 158 850 850 HIS HIS A . n \nA 1 159 VAL 159 851 851 VAL VAL A . n \nA 1 160 LYS 160 852 852 LYS LYS A . n \nA 1 161 ILE 161 853 853 ILE ILE A . n \nA 1 162 THR 162 854 854 THR THR A . n \nA 1 163 ASP 163 855 855 ASP ASP A . n \nA 1 164 PHE 164 856 856 PHE PHE A . n \nA 1 165 GLY 165 857 857 GLY GLY A . n \nA 1 166 LEU 166 858 858 LEU LEU A . n \nA 1 167 ALA 167 859 859 ALA ALA A . n \nA 1 168 LYS 168 860 860 LYS LYS A . n \nA 1 169 LEU 169 861 861 LEU LEU A . n \nA 1 170 LEU 170 862 862 LEU LEU A . n \nA 1 171 GLY 171 863 863 GLY GLY A . n \nA 1 172 ALA 172 864 864 ALA ALA A . n \nA 1 173 GLU 173 865 865 GLU GLU A . n \nA 1 174 GLU 174 866 866 GLU GLU A . n \nA 1 175 LYS 175 867 867 LYS LYS A . n \nA 1 176 GLU 176 868 868 GLU GLU A . n \nA 1 177 TYR 177 869 869 TYR TYR A . n \nA 1 178 HIS 178 870 870 HIS HIS A . n \nA 1 179 ALA 179 871 871 ALA ALA A . n \nA 1 180 GLU 180 872 872 GLU GLU A . n \nA 1 181 GLY 181 873 873 GLY GLY A . n \nA 1 182 GLY 182 874 874 GLY GLY A . n \nA 1 183 LYS 183 875 875 LYS LYS A . n \nA 1 184 VAL 184 876 876 VAL VAL A . n \nA 1 185 PRO 185 877 877 PRO PRO A . n \nA 1 186 ILE 186 878 878 ILE ILE A . n \nA 1 187 LYS 187 879 879 LYS LYS A . n \nA 1 188 TRP 188 880 880 TRP TRP A . n \nA 1 189 MET 189 881 881 MET MET A . n \nA 1 190 ALA 190 882 882 ALA ALA A . n \nA 1 191 LEU 191 883 883 LEU LEU A . n \nA 1 192 GLU 192 884 884 GLU GLU A . n \nA 1 193 SER 193 885 885 SER SER A . n \nA 1 194 ILE 194 886 886 ILE ILE A . n \nA 1 195 LEU 195 887 887 LEU LEU A . n \nA 1 196 HIS 196 888 888 HIS HIS A . n \nA 1 197 ARG 197 889 889 ARG ARG A . n \nA 1 198 ILE 198 890 890 ILE ILE A . n \nA 1 199 TYR 199 891 891 TYR TYR A . n \nA 1 200 THR 200 892 892 THR THR A . n \nA 1 201 HIS 201 893 893 HIS HIS A . n \nA 1 202 GLN 202 894 894 GLN GLN A . n \nA 1 203 SER 203 895 895 SER SER A . n \nA 1 204 ASP 204 896 896 ASP ASP A . n \nA 1 205 VAL 205 897 897 VAL VAL A . n \nA 1 206 TRP 206 898 898 TRP TRP A . n \nA 1 207 SER 207 899 899 SER SER A . n \nA 1 208 TYR 208 900 900 TYR TYR A . n \nA 1 209 GLY 209 901 901 GLY GLY A . n \nA 1 210 VAL 210 902 902 VAL VAL A . n \nA 1 211 THR 211 903 903 THR THR A . n \nA 1 212 VAL 212 904 904 VAL VAL A . n \nA 1 213 TRP 213 905 905 TRP TRP A . n \nA 1 214 GLU 214 906 906 GLU GLU A . n \nA 1 215 LEU 215 907 907 LEU LEU A . n \nA 1 216 MET 216 908 908 MET MET A . n \nA 1 217 THR 217 909 909 THR THR A . n \nA 1 218 PHE 218 910 910 PHE PHE A . n \nA 1 219 GLY 219 911 911 GLY GLY A . n \nA 1 220 SER 220 912 912 SER SER A . n \nA 1 221 LYS 221 913 913 LYS LYS A . n \nA 1 222 PRO 222 914 914 PRO PRO A . n \nA 1 223 TYR 223 915 915 TYR TYR A . n \nA 1 224 ASP 224 916 916 ASP ASP A . n \nA 1 225 GLY 225 917 917 GLY GLY A . n \nA 1 226 ILE 226 918 918 ILE ILE A . n \nA 1 227 PRO 227 919 919 PRO PRO A . n \nA 1 228 ALA 228 920 920 ALA ALA A . n \nA 1 229 SER 229 921 921 SER SER A . n \nA 1 230 GLU 230 922 922 GLU GLU A . n \nA 1 231 ILE 231 923 923 ILE ILE A . n \nA 1 232 SER 232 924 924 SER SER A . n \nA 1 233 SER 233 925 925 SER SER A . n \nA 1 234 ILE 234 926 926 ILE ILE A . n \nA 1 235 LEU 235 927 927 LEU LEU A . n \nA 1 236 GLU 236 928 928 GLU GLU A . n \nA 1 237 LYS 237 929 929 LYS LYS A . n \nA 1 238 GLY 238 930 930 GLY GLY A . n \nA 1 239 GLU 239 931 931 GLU GLU A . n \nA 1 240 ARG 240 932 932 ARG ARG A . n \nA 1 241 LEU 241 933 933 LEU LEU A . n \nA 1 242 PRO 242 934 934 PRO PRO A . n \nA 1 243 GLN 243 935 935 GLN GLN A . n \nA 1 244 PRO 244 936 936 PRO PRO A . n \nA 1 245 PRO 245 937 937 PRO PRO A . n \nA 1 246 ILE 246 938 938 ILE ILE A . n \nA 1 247 CYS 247 939 939 CYS CYS A . n \nA 1 248 THR 248 940 940 THR THR A . n \nA 1 249 ILE 249 941 941 ILE ILE A . n \nA 1 250 ASP 250 942 942 ASP ASP A . n \nA 1 251 VAL 251 943 943 VAL VAL A . n \nA 1 252 TYR 252 944 944 TYR TYR A . n \nA 1 253 MET 253 945 945 MET MET A . n \nA 1 254 ILE 254 946 946 ILE ILE A . n \nA 1 255 MET 255 947 947 MET MET A . n \nA 1 256 VAL 256 948 948 VAL VAL A . n \nA 1 257 LYS 257 949 949 LYS LYS A . n \nA 1 258 CYS 258 950 950 CYS CYS A . n \nA 1 259 TRP 259 951 951 TRP TRP A . n \nA 1 260 MET 260 952 952 MET MET A . n \nA 1 261 ILE 261 953 953 ILE ILE A . n \nA 1 262 ASP 262 954 954 ASP ASP A . n \nA 1 263 ALA 263 955 955 ALA ALA A . n \nA 1 264 ASP 264 956 956 ASP ASP A . n \nA 1 265 SER 265 957 957 SER SER A . n \nA 1 266 ARG 266 958 958 ARG ARG A . n \nA 1 267 PRO 267 959 959 PRO PRO A . n \nA 1 268 LYS 268 960 960 LYS LYS A . n \nA 1 269 PHE 269 961 961 PHE PHE A . n \nA 1 270 ARG 270 962 962 ARG ARG A . n \nA 1 271 GLU 271 963 963 GLU GLU A . n \nA 1 272 LEU 272 964 964 LEU LEU A . n \nA 1 273 ILE 273 965 965 ILE ILE A . n \nA 1 274 ILE 274 966 966 ILE ILE A . n \nA 1 275 GLU 275 967 967 GLU GLU A . n \nA 1 276 PHE 276 968 968 PHE PHE A . n \nA 1 277 SER 277 969 969 SER SER A . n \nA 1 278 LYS 278 970 970 LYS LYS A . n \nA 1 279 MET 279 971 971 MET MET A . n \nA 1 280 ALA 280 972 972 ALA ALA A . n \nA 1 281 ARG 281 973 973 ARG ARG A . n \nA 1 282 ASP 282 974 974 ASP ASP A . n \nA 1 283 PRO 283 975 975 PRO PRO A . n \nA 1 284 GLN 284 976 976 GLN GLN A . n \nA 1 285 ARG 285 977 977 ARG ARG A . n \nA 1 286 TYR 286 978 978 TYR TYR A . n \nA 1 287 LEU 287 979 979 LEU LEU A . n \nA 1 288 VAL 288 980 980 VAL VAL A . n \nA 1 289 ILE 289 981 981 ILE ILE A . n \nA 1 290 GLN 290 982 982 GLN GLN A . n \nA 1 291 GLY 291 983 983 GLY GLY A . n \nA 1 292 ASP 292 984 984 ASP ASP A . n \nA 1 293 GLU 293 985 985 GLU GLU A . n \nA 1 294 ARG 294 986 986 ARG ARG A . n \nA 1 295 MET 295 987 987 MET MET A . n \nA 1 296 HIS 296 988 988 HIS HIS A . n \nA 1 297 LEU 297 989 989 LEU LEU A . n \nA 1 298 PRO 298 990 990 PRO PRO A . n \nA 1 299 SER 299 991 991 SER SER A . n \nA 1 300 PRO 300 992 992 PRO PRO A . n \nA 1 301 THR 301 993 993 THR THR A . n \nA 1 302 ASP 302 994 994 ASP ASP A . n \nA 1 303 SER 303 995 995 SER SER A . n \nA 1 304 ASN 304 996 996 ASN ASN A . n \nA 1 305 PHE 305 997 997 PHE PHE A . n \nA 1 306 TYR 306 998 998 TYR TYR A . n \nA 1 307 ARG 307 999 999 ARG ARG A . n \nA 1 308 ALA 308 1000 1000 ALA ALA A . n \nA 1 309 LEU 309 1001 1001 LEU LEU A . n \nA 1 310 MET 310 1002 1002 MET MET A . n \nA 1 311 ASP 311 1003 1003 ASP ASP A . n \nA 1 312 GLU 312 1004 1004 GLU GLU A . n \nA 1 313 GLU 313 1005 1005 GLU GLU A . n \nA 1 314 ASP 314 1006 1006 ASP ASP A . n \nA 1 315 MET 315 1007 1007 MET MET A . n \nA 1 316 ASP 316 1008 1008 ASP ASP A . n \nA 1 317 ASP 317 1009 1009 ASP ASP A . n \nA 1 318 VAL 318 1010 1010 VAL VAL A . n \nA 1 319 VAL 319 1011 1011 VAL VAL A . n \nA 1 320 ASP 320 1012 1012 ASP ASP A . n \nA 1 321 ALA 321 1013 1013 ALA ALA A . n \nA 1 322 ASP 322 1014 1014 ASP ASP A . n \nA 1 323 GLU 323 1015 1015 GLU GLU A . n \nA 1 324 TYR 324 1016 1016 TYR TYR A . n \nA 1 325 LEU 325 1017 1017 LEU LEU A . n \nA 1 326 ILE 326 1018 ? ? ? A . n \nA 1 327 PRO 327 1019 ? ? ? A . n \nA 1 328 GLN 328 1020 ? ? ? A . n \nA 1 329 GLN 329 1021 ? ? ? A . n \nA 1 330 GLY 330 1022 ? ? ? A . n \n# \n_pdbx_struct_assembly.id 1 \n_pdbx_struct_assembly.details author_and_software_defined_assembly \n_pdbx_struct_assembly.method_details PISA \n_pdbx_struct_assembly.oligomeric_details monomeric \n_pdbx_struct_assembly.oligomeric_count 1 \n# \n_pdbx_struct_assembly_gen.assembly_id 1 \n_pdbx_struct_assembly_gen.oper_expression 1 \n_pdbx_struct_assembly_gen.asym_id_list A,B,C,D \n# \n_pdbx_struct_oper_list.id 1 \n_pdbx_struct_oper_list.type 'identity operation' \n_pdbx_struct_oper_list.name 1_555 \n_pdbx_struct_oper_list.symmetry_operation x,y,z \n_pdbx_struct_oper_list.matrix[1][1] 1.0000000000 \n_pdbx_struct_oper_list.matrix[1][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[1][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[2][2] 1.0000000000 \n_pdbx_struct_oper_list.matrix[2][3] 0.0000000000 \n_pdbx_struct_oper_list.vector[2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][1] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][2] 0.0000000000 \n_pdbx_struct_oper_list.matrix[3][3] 1.0000000000 \n_pdbx_struct_oper_list.vector[3] 0.0000000000 \n# \nloop_\n_pdbx_audit_revision_history.ordinal \n_pdbx_audit_revision_history.data_content_type \n_pdbx_audit_revision_history.major_revision \n_pdbx_audit_revision_history.minor_revision \n_pdbx_audit_revision_history.revision_date \n1 'Structure model' 1 0 2013-03-06 \n2 'Structure model' 1 1 2013-08-14 \n# \n_pdbx_audit_revision_details.ordinal 1 \n_pdbx_audit_revision_details.revision_ordinal 1 \n_pdbx_audit_revision_details.data_content_type 'Structure model' \n_pdbx_audit_revision_details.provider repository \n_pdbx_audit_revision_details.type 'Initial release' \n_pdbx_audit_revision_details.description ? \n# \n_pdbx_audit_revision_group.ordinal 1 \n_pdbx_audit_revision_group.revision_ordinal 2 \n_pdbx_audit_revision_group.data_content_type 'Structure model' \n_pdbx_audit_revision_group.group 'Database references' \n# \n_pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' \n_pdbx_refine_tls.id 1 \n_pdbx_refine_tls.details ? \n_pdbx_refine_tls.method refined \n_pdbx_refine_tls.origin_x 18.7873 \n_pdbx_refine_tls.origin_y 25.9155 \n_pdbx_refine_tls.origin_z 14.3167 \n_pdbx_refine_tls.T[1][1] 0.0200 \n_pdbx_refine_tls.T[2][2] 0.0753 \n_pdbx_refine_tls.T[3][3] 0.1267 \n_pdbx_refine_tls.T[1][2] 0.0062 \n_pdbx_refine_tls.T[1][3] 0.0065 \n_pdbx_refine_tls.T[2][3] -0.0066 \n_pdbx_refine_tls.L[1][1] 0.1474 \n_pdbx_refine_tls.L[2][2] 0.8224 \n_pdbx_refine_tls.L[3][3] 0.5626 \n_pdbx_refine_tls.L[1][2] 0.1030 \n_pdbx_refine_tls.L[1][3] 0.2626 \n_pdbx_refine_tls.L[2][3] -0.0418 \n_pdbx_refine_tls.S[1][1] -0.0344 \n_pdbx_refine_tls.S[1][2] -0.0030 \n_pdbx_refine_tls.S[1][3] -0.0099 \n_pdbx_refine_tls.S[2][1] 0.0695 \n_pdbx_refine_tls.S[2][2] 0.0195 \n_pdbx_refine_tls.S[2][3] 0.0685 \n_pdbx_refine_tls.S[3][1] -0.0921 \n_pdbx_refine_tls.S[3][2] -0.0269 \n_pdbx_refine_tls.S[3][3] 0.0149 \n# \nloop_\n_pdbx_refine_tls_group.pdbx_refine_id \n_pdbx_refine_tls_group.id \n_pdbx_refine_tls_group.refine_tls_id \n_pdbx_refine_tls_group.beg_auth_asym_id \n_pdbx_refine_tls_group.beg_auth_seq_id \n_pdbx_refine_tls_group.beg_label_asym_id \n_pdbx_refine_tls_group.beg_label_seq_id \n_pdbx_refine_tls_group.end_auth_asym_id \n_pdbx_refine_tls_group.end_auth_seq_id \n_pdbx_refine_tls_group.end_label_asym_id \n_pdbx_refine_tls_group.end_label_seq_id \n_pdbx_refine_tls_group.selection \n_pdbx_refine_tls_group.selection_details \n'X-RAY DIFFRACTION' 1 1 A 701 ? ? A 1017 ? ? ? ? \n'X-RAY DIFFRACTION' 2 1 A 1101 ? ? A 1101 ? ? ? ? \n# \nloop_\n_software.name \n_software.classification \n_software.version \n_software.citation_id \n_software.pdbx_ordinal \nADSC 'data collection' Quantum ? 1 \nMOLREP phasing . ? 2 \nREFMAC refinement 5.7.0029 ? 3 \nHKL-2000 'data reduction' . ? 4 \nHKL-2000 'data scaling' . ? 5 \n# \nloop_\n_pdbx_validate_torsion.id \n_pdbx_validate_torsion.PDB_model_num \n_pdbx_validate_torsion.auth_comp_id \n_pdbx_validate_torsion.auth_asym_id \n_pdbx_validate_torsion.auth_seq_id \n_pdbx_validate_torsion.PDB_ins_code \n_pdbx_validate_torsion.label_alt_id \n_pdbx_validate_torsion.phi \n_pdbx_validate_torsion.psi \n1 1 LEU A 718 ? ? -97.29 -61.72 \n2 1 THR A 783 ? ? -137.24 -130.68 \n3 1 ARG A 836 ? ? 76.05 -4.36 \n4 1 ASP A 837 ? ? -148.74 39.52 \n5 1 ARG A 986 ? ? -100.19 60.75 \n6 1 ASP A 1008 ? ? -70.75 -90.39 \n# \nloop_\n_pdbx_unobs_or_zero_occ_residues.id \n_pdbx_unobs_or_zero_occ_residues.PDB_model_num \n_pdbx_unobs_or_zero_occ_residues.polymer_flag \n_pdbx_unobs_or_zero_occ_residues.occupancy_flag \n_pdbx_unobs_or_zero_occ_residues.auth_asym_id \n_pdbx_unobs_or_zero_occ_residues.auth_comp_id \n_pdbx_unobs_or_zero_occ_residues.auth_seq_id \n_pdbx_unobs_or_zero_occ_residues.PDB_ins_code \n_pdbx_unobs_or_zero_occ_residues.label_asym_id \n_pdbx_unobs_or_zero_occ_residues.label_comp_id \n_pdbx_unobs_or_zero_occ_residues.label_seq_id \n1 1 Y 1 A GLY 693 ? A GLY 1 \n2 1 Y 1 A ALA 694 ? A ALA 2 \n3 1 Y 1 A MET 695 ? A MET 3 \n4 1 Y 1 A GLY 696 ? A GLY 4 \n5 1 Y 1 A GLU 697 ? A GLU 5 \n6 1 Y 1 A ALA 698 ? A ALA 6 \n7 1 Y 1 A PRO 699 ? A PRO 7 \n8 1 Y 1 A ASN 700 ? A ASN 8 \n9 1 Y 1 A ILE 1018 ? A ILE 326 \n10 1 Y 1 A PRO 1019 ? A PRO 327 \n11 1 Y 1 A GLN 1020 ? A GLN 328 \n12 1 Y 1 A GLN 1021 ? A GLN 329 \n13 1 Y 1 A GLY 1022 ? A GLY 330 \n# \nloop_\n_pdbx_entity_nonpoly.entity_id \n_pdbx_entity_nonpoly.name \n_pdbx_entity_nonpoly.comp_id \n2 \n;4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-N-[2-(methylsulfonyl)ethyl]-8,9-dihydro-7H-pyrimido[4,5-b]azepine-6-carboxamide\n;\nW32 \n3 'SULFATE ION' SO4 \n4 water HOH \n# \nloop_\n_pdbx_nonpoly_scheme.asym_id \n_pdbx_nonpoly_scheme.entity_id \n_pdbx_nonpoly_scheme.mon_id \n_pdbx_nonpoly_scheme.ndb_seq_num \n_pdbx_nonpoly_scheme.pdb_seq_num \n_pdbx_nonpoly_scheme.auth_seq_num \n_pdbx_nonpoly_scheme.pdb_mon_id \n_pdbx_nonpoly_scheme.auth_mon_id \n_pdbx_nonpoly_scheme.pdb_strand_id \n_pdbx_nonpoly_scheme.pdb_ins_code \nB 2 W32 1 1101 1101 W32 LIG A . \nC 3 SO4 1 1102 1102 SO4 SO4 A . \nD 4 HOH 1 2001 2001 HOH HOH A . \nD 4 HOH 2 2002 2002 HOH HOH A . \nD 4 HOH 3 2003 2003 HOH HOH A . \nD 4 HOH 4 2004 2004 HOH HOH A . \nD 4 HOH 5 2005 2005 HOH HOH A . \nD 4 HOH 6 2006 2006 HOH HOH A . \nD 4 HOH 7 2007 2007 HOH HOH A . \nD 4 HOH 8 2008 2008 HOH HOH A . \nD 4 HOH 9 2009 2009 HOH HOH A . \nD 4 HOH 10 2010 2010 HOH HOH A . \nD 4 HOH 11 2011 2011 HOH HOH A . \nD 4 HOH 12 2012 2012 HOH HOH A . \nD 4 HOH 13 2013 2013 HOH HOH A . \nD 4 HOH 14 2014 2014 HOH HOH A . \nD 4 HOH 15 2015 2015 HOH HOH A . \nD 4 HOH 16 2016 2016 HOH HOH A . \nD 4 HOH 17 2017 2017 HOH HOH A . \nD 4 HOH 18 2018 2018 HOH HOH A . \nD 4 HOH 19 2019 2019 HOH HOH A . \nD 4 HOH 20 2020 2020 HOH HOH A . \nD 4 HOH 21 2021 2021 HOH HOH A . \nD 4 HOH 22 2022 2022 HOH HOH A . \nD 4 HOH 23 2023 2023 HOH HOH A . \nD 4 HOH 24 2024 2024 HOH HOH A . \nD 4 HOH 25 2025 2025 HOH HOH A . \nD 4 HOH 26 2026 2026 HOH HOH A . \nD 4 HOH 27 2027 2027 HOH HOH A . \nD 4 HOH 28 2028 2028 HOH HOH A . \nD 4 HOH 29 2029 2029 HOH HOH A . \nD 4 HOH 30 2030 2030 HOH HOH A . \nD 4 HOH 31 2031 2031 HOH HOH A . \nD 4 HOH 32 2032 2032 HOH HOH A . \nD 4 HOH 33 2033 2033 HOH HOH A . \nD 4 HOH 34 2034 2034 HOH HOH A . \nD 4 HOH 35 2035 2035 HOH HOH A . \nD 4 HOH 36 2036 2036 HOH HOH A . \nD 4 HOH 37 2037 2037 HOH HOH A . \nD 4 HOH 38 2038 2038 HOH HOH A . \nD 4 HOH 39 2039 2039 HOH HOH A . \nD 4 HOH 40 2040 2040 HOH HOH A . \nD 4 HOH 41 2041 2041 HOH HOH A . \nD 4 HOH 42 2042 2042 HOH HOH A . \nD 4 HOH 43 2043 2043 HOH HOH A . \nD 4 HOH 44 2044 2044 HOH HOH A . \nD 4 HOH 45 2045 2045 HOH HOH A . \nD 4 HOH 46 2046 2046 HOH HOH A . \nD 4 HOH 47 2047 2047 HOH HOH A . \nD 4 HOH 48 2048 2048 HOH HOH A . \nD 4 HOH 49 2049 2049 HOH HOH A . \nD 4 HOH 50 2050 2050 HOH HOH A . \nD 4 HOH 51 2051 2051 HOH HOH A . \nD 4 HOH 52 2052 2052 HOH HOH A . \nD 4 HOH 53 2053 2053 HOH HOH A . \nD 4 HOH 54 2054 2054 HOH HOH A . \nD 4 HOH 55 2055 2055 HOH HOH A . \nD 4 HOH 56 2056 2056 HOH HOH A . \nD 4 HOH 57 2057 2057 HOH HOH A . \nD 4 HOH 58 2058 2058 HOH HOH A . \nD 4 HOH 59 2059 2059 HOH HOH A . \nD 4 HOH 60 2060 2060 HOH HOH A . \nD 4 HOH 61 2061 2061 HOH HOH A . \nD 4 HOH 62 2062 2062 HOH HOH A . \nD 4 HOH 63 2063 2063 HOH HOH A . \nD 4 HOH 64 2064 2064 HOH HOH A . \nD 4 HOH 65 2065 2065 HOH HOH A . \nD 4 HOH 66 2066 2066 HOH HOH A . \nD 4 HOH 67 2067 2067 HOH HOH A . \nD 4 HOH 68 2068 2068 HOH HOH A . \nD 4 HOH 69 2069 2069 HOH HOH A . \nD 4 HOH 70 2070 2070 HOH HOH A . \nD 4 HOH 71 2071 2071 HOH HOH A . \nD 4 HOH 72 2072 2072 HOH HOH A . \nD 4 HOH 73 2073 2073 HOH HOH A . \nD 4 HOH 74 2074 2074 HOH HOH A . \nD 4 HOH 75 2075 2075 HOH HOH A . \nD 4 HOH 76 2076 2076 HOH HOH A . \nD 4 HOH 77 2077 2077 HOH HOH A . \nD 4 HOH 78 2078 2078 HOH HOH A . \nD 4 HOH 79 2079 2079 HOH HOH A . \nD 4 HOH 80 2080 2080 HOH HOH A . \nD 4 HOH 81 2081 2081 HOH HOH A . \nD 4 HOH 82 2082 2082 HOH HOH A . \n# \n",
+ "type": "blob"
+ }
+ ],
+ "kwargs": {
+ "defaultRepresentation": true,
+ "ext": "cif",
+ "height": "600px"
+ },
+ "methodName": "loadFile",
+ "reconstruc_color_scheme": false,
+ "target": "Stage",
+ "type": "call_method"
},
- "6": {
+ {
+ "args": [
+ "ball+stick"
+ ],
+ "component_index": 0,
+ "kwargs": {
+ "sele": "hetero and not water"
+ },
+ "methodName": "addRepresentation",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ }
+ ],
+ "_ngl_original_stage_parameters": {
+ "ambientColor": 14540253,
+ "ambientIntensity": 0.2,
+ "backgroundColor": "white",
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+ "cameraFov": 40,
+ "cameraType": "perspective",
+ "clipDist": 10,
+ "clipFar": 100,
+ "clipNear": 0,
+ "fogFar": 100,
+ "fogNear": 50,
+ "hoverTimeout": 0,
+ "impostor": true,
+ "lightColor": 14540253,
+ "lightIntensity": 1,
+ "mousePreset": "default",
+ "panSpeed": 1,
+ "quality": "medium",
+ "rotateSpeed": 2,
+ "sampleLevel": 0,
+ "tooltip": true,
+ "workerDefault": true,
+ "zoomSpeed": 1.2
+ },
+ "_ngl_repr_dict": {
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"0": {
"params": {
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+ "assembly": "default",
+ "capped": true,
"clipCenter": {
"x": 0,
"y": 0,
@@ -37939,7 +40292,12 @@
},
"clipNear": 0,
"clipRadius": 0,
- "colorReverse": false,
+ "colorMode": "hcl",
+ "colorReverse": true,
+ "colorScale": "spectral",
+ "colorScheme": "residueindex",
+ "colorValue": 9474192,
+ "defaultAssembly": "BU1",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
@@ -37970,19 +40328,29 @@
},
"metalness": 0,
"opacity": 1,
- "quality": "medium",
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 0.7,
+ "radiusSize": 1,
+ "radiusType": "sstruc",
"roughness": 0.4,
+ "sele": "",
"side": "double",
- "useInteriorColor": false,
+ "smoothSheet": false,
+ "subdiv": 6,
+ "tension": null,
+ "useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "buffer"
- }
- },
- "7": {
- "0": {
+ "type": "cartoon"
+ },
+ "1": {
"params": {
+ "aspectRatio": 1,
+ "assembly": "default",
+ "bondScale": 0.4,
"clipCenter": {
"x": 0,
"y": 0,
@@ -37990,15 +40358,24 @@
},
"clipNear": 0,
"clipRadius": 0,
- "colorReverse": false,
+ "colorMode": "hcl",
+ "colorReverse": true,
+ "colorScale": "spectral",
+ "colorScheme": "residueindex",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "BU1",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -38021,19 +40398,29 @@
},
"metalness": 0,
"opacity": 1,
- "quality": "medium",
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 0.3,
+ "radiusType": "size",
"roughness": 0.4,
+ "sele": "",
"side": "double",
- "useInteriorColor": false,
+ "sphereDetail": 2,
+ "useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "buffer"
- }
- },
- "8": {
- "0": {
+ "type": "base"
+ },
+ "2": {
"params": {
+ "aspectRatio": 1.5,
+ "assembly": "default",
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -38041,15 +40428,24 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "BU1",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -38071,20 +40467,31 @@
]
},
"metalness": 0,
+ "multipleBond": "off",
"opacity": 1,
- "quality": "medium",
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 2,
+ "radiusSize": 0.15,
+ "radiusType": "size",
"roughness": 0.4,
+ "sele": "ligand",
"side": "double",
- "useInteriorColor": false,
+ "sphereDetail": 2,
+ "useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "buffer"
- }
- },
- "9": {
- "0": {
+ "type": "ball+stick"
+ },
+ "3": {
"params": {
+ "aspectRatio": 2,
+ "assembly": "default",
+ "bondScale": 0.4,
+ "bondSpacing": 1,
"clipCenter": {
"x": 0,
"y": 0,
@@ -38092,15 +40499,24 @@
},
"clipNear": 0,
"clipRadius": 0,
+ "colorMode": "hcl",
"colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "BU1",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
"matrix": {
"elements": [
1,
@@ -38122,40 +40538,102 @@
]
},
"metalness": 0,
+ "multipleBond": "off",
"opacity": 1,
+ "openEnded": true,
"quality": "medium",
+ "radialSegments": 10,
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 0.15,
+ "radiusType": "size",
"roughness": 0.4,
+ "sele": "hetero and not water",
"side": "double",
- "useInteriorColor": false,
+ "sphereDetail": 1,
+ "useInteriorColor": true,
"visible": true,
"wireframe": false
},
- "type": "buffer"
+ "type": "ball+stick"
}
}
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"_ngl_version": "2.0.0-dev.36",
"_ngl_view_id": [
- "72DE036D-C60D-41BE-B56F-CE0A6F35C1CB"
+ "37688AB6-7E25-40BC-90FA-A413E92715FB"
],
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"_synced_model_ids": [],
"_synced_repr_model_ids": [],
- "_view_height": "860px",
+ "_view_height": "600px",
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"gui_style": null,
- "layout": "IPY_MODEL_5aa81b759a2c4e0aaf5bc649d9365bce",
+ "layout": "IPY_MODEL_d03ca1ed69f64f64bc85e98432a87181",
"max_frame": 0,
- "n_components": 12,
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"picked": {}
}
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+ "model_module": "@jupyter-widgets/base",
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+ "model_module": "@jupyter-widgets/controls",
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+ "model_name": "LinkModel",
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+ "max"
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+ "target": [
+ "IPY_MODEL_76214e4398d64e458ea06e8ef08d49a5",
+ "max_frame"
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+ "c70bb49b01994c2cad286c0f862127df": {
+ "model_module": "@jupyter-widgets/controls",
+ "model_module_version": "1.5.0",
+ "model_name": "IntSliderModel",
+ "state": {
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+ "max": 0,
+ "style": "IPY_MODEL_a63ba691727743faa4bf9c4c814bc411"
+ }
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+ "c714fe54687d40d98262db602ff2d356": {
+ "model_module": "@jupyter-widgets/controls",
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+ "model_name": "ButtonModel",
+ "state": {
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+ "layout": "IPY_MODEL_8977dc9294444f7da1ba3139ad65907b",
+ "style": "IPY_MODEL_14eee7f842ae4f02a135c5d2138e15d6"
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+ "c82ddafe62ac44efa481556c995221a9": {
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"model_module_version": "3.0.1",
"model_name": "NGLModel",
@@ -38180,9 +40658,9 @@
],
"_camera_str": "orthographic",
"_gui_theme": null,
- "_ibtn_fullscreen": "IPY_MODEL_d14c499524f24d5db889546eccefe3b0",
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"_igui": null,
- "_iplayer": "IPY_MODEL_8fdb44ab21a14aa395625f0a6f208321",
+ "_iplayer": "IPY_MODEL_22ae1e747b4948468a8ad27f0bfd3eee",
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"_ngl_full_stage_parameters": {
@@ -38241,6 +40719,23 @@
"reconstruc_color_scheme": false,
"target": "compList",
"type": "call_method"
+ },
+ {
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_15\nREMARK 2 A between atoms: N_4 and C_19\nREMARK 3 A between atoms: C_19 and C_20\nREMARK 4 A between atoms: C_20 and C_21\nREMARK 5 A between atoms: C_23 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.901 33.212 15.029 0.00 0.00 -0.319 N \nATOM 2 C UNL 1 20.979 32.803 14.122 0.00 0.00 +0.156 C \nATOM 3 C UNL 1 20.472 32.825 12.666 0.00 0.00 +0.150 C \nATOM 4 N UNL 1 19.176 32.008 12.505 0.00 0.00 +0.238 N \nATOM 5 C UNL 1 18.113 32.493 13.504 0.00 0.00 +0.150 C \nATOM 6 C UNL 1 18.649 32.458 14.950 0.00 0.00 +0.156 C \nATOM 7 H UNL 1 19.408 31.035 12.743 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 15\nATOM 8 C UNL 1 18.283 38.246 18.918 0.00 0.00 +0.065 C \nATOM 9 C UNL 1 18.792 37.040 18.187 0.00 0.00 +0.039 C \nATOM 10 N UNL 1 19.747 36.302 18.798 0.00 0.00 -0.252 NA\nATOM 11 C UNL 1 20.223 35.208 18.179 0.00 0.00 +0.073 C \nATOM 12 C UNL 1 19.779 34.791 16.904 0.00 0.00 +0.021 C \nATOM 13 C UNL 1 18.783 35.583 16.300 0.00 0.00 +0.013 C \nATOM 14 C UNL 1 18.286 36.714 16.940 0.00 0.00 +0.024 C \nATOM 15 C UNL 1 20.323 33.618 16.305 0.00 0.00 +0.039 C \nATOM 16 C UNL 1 21.299 32.890 16.997 0.00 0.00 +0.024 C \nATOM 17 C UNL 1 21.731 33.305 18.253 0.00 0.00 +0.004 C \nATOM 18 C UNL 1 21.191 34.455 18.825 0.00 0.00 +0.028 C \nENDBRANCH 1 15\nBRANCH 4 19\nATOM 19 C UNL 1 18.704 32.062 11.063 0.00 0.00 +0.136 C \nBRANCH 19 20\nATOM 20 C UNL 1 17.512 33.007 10.876 0.00 0.00 +0.086 C \nBRANCH 20 21\nATOM 21 C UNL 1 16.837 32.762 9.548 0.00 0.00 -0.041 C \nATOM 22 C UNL 1 16.978 31.531 8.881 0.00 0.00 +0.027 C \nATOM 23 C UNL 1 16.383 31.303 7.626 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 15.639 32.344 7.059 0.00 0.00 +0.023 C \nATOM 25 C UNL 1 15.480 33.565 7.719 0.00 0.00 +0.002 C \nATOM 26 C UNL 1 16.071 33.773 8.959 0.00 0.00 +0.004 C \nBRANCH 23 27\nATOM 27 N UNL 1 16.523 30.052 6.972 0.00 0.00 -0.254 N \nATOM 28 C UNL 1 15.524 29.004 7.022 0.00 0.00 +0.134 C \nATOM 29 C UNL 1 15.999 27.961 6.020 0.00 0.00 +0.125 C \nATOM 30 N UNL 1 17.341 28.354 5.727 0.00 0.00 -0.297 N \nATOM 31 C UNL 1 17.636 29.613 6.227 0.00 0.00 +0.307 C \nATOM 32 O UNL 1 18.704 30.164 6.020 0.00 0.00 -0.252 OA\nATOM 33 H UNL 1 18.004 27.870 5.134 0.00 0.00 +0.150 HD\nENDBRANCH 23 27\nENDBRANCH 20 21\nENDBRANCH 19 20\nENDBRANCH 4 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: N_3 and C_27\nREMARK 3 A between atoms: N_13 and C_18\nREMARK 4 A between atoms: C_18 and C_19\nREMARK 5 A between atoms: C_19 and N_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.394 34.726 14.860 0.00 0.00 -0.018 C \nATOM 2 C UNL 1 18.546 34.103 13.636 0.00 0.00 +0.096 C \nATOM 3 N UNL 1 17.316 33.963 13.011 0.00 0.00 -0.316 N \nATOM 4 C UNL 1 16.333 34.412 13.890 0.00 0.00 +0.054 C \nATOM 5 C UNL 1 16.983 34.924 15.024 0.00 0.00 +0.005 C \nATOM 6 C UNL 1 16.203 35.484 16.061 0.00 0.00 +0.030 C \nATOM 7 C UNL 1 14.810 35.482 15.964 0.00 0.00 +0.042 C \nATOM 8 C UNL 1 14.176 34.921 14.867 0.00 0.00 +0.022 C \nATOM 9 C UNL 1 14.924 34.371 13.822 0.00 0.00 +0.028 C \nATOM 10 CL UNL 1 13.873 36.156 17.240 0.00 0.00 -0.084 Cl\nENDROOT\nBRANCH 1 16\nATOM 11 C UNL 1 20.245 36.374 15.427 0.00 0.00 +0.059 C \nATOM 12 C UNL 1 21.298 36.091 14.370 0.00 0.00 +0.132 C \nATOM 13 N UNL 1 22.233 34.983 14.825 0.00 0.00 +0.236 N \nATOM 14 C UNL 1 21.497 33.717 15.197 0.00 0.00 +0.132 C \nATOM 15 C UNL 1 20.418 33.993 16.231 0.00 0.00 +0.059 C \nATOM 16 C UNL 1 19.464 35.129 15.852 0.00 0.00 +0.031 C \nATOM 17 H UNL 1 22.730 35.331 15.656 0.00 0.00 +0.203 HD\nBRANCH 13 18\nATOM 18 C UNL 1 23.279 34.748 13.730 0.00 0.00 +0.150 C \nBRANCH 18 19\nATOM 19 C UNL 1 22.744 33.939 12.531 0.00 0.00 +0.160 C \nBRANCH 19 20\nATOM 20 N UNL 1 23.663 32.919 12.055 0.00 0.00 -0.279 N \nATOM 21 C UNL 1 24.410 33.051 10.817 0.00 0.00 +0.128 C \nATOM 22 C UNL 1 25.203 31.750 10.726 0.00 0.00 +0.124 C \nATOM 23 N UNL 1 24.595 30.911 11.721 0.00 0.00 -0.298 N \nATOM 24 C UNL 1 23.718 31.609 12.519 0.00 0.00 +0.302 C \nATOM 25 O UNL 1 23.105 31.161 13.472 0.00 0.00 -0.253 OA\nATOM 26 H UNL 1 24.808 29.935 11.893 0.00 0.00 +0.150 HD\nENDBRANCH 19 20\nENDBRANCH 18 19\nENDBRANCH 13 18\nENDBRANCH 1 16\nBRANCH 3 27\nATOM 27 C UNL 1 17.154 33.464 11.681 0.00 0.00 +0.047 C \nATOM 28 C UNL 1 16.417 34.183 10.730 0.00 0.00 +0.029 C \nATOM 29 C UNL 1 16.292 33.697 9.425 0.00 0.00 +0.040 C \nATOM 30 C UNL 1 16.902 32.500 9.073 0.00 0.00 +0.124 C \nATOM 31 C UNL 1 17.645 31.780 9.999 0.00 0.00 +0.040 C \nATOM 32 C UNL 1 17.778 32.262 11.305 0.00 0.00 +0.029 C \nATOM 33 F UNL 1 16.784 32.039 7.822 0.00 0.00 -0.205 F \nENDBRANCH 3 27\nTORSDOF 5\n",
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@@ -38716,7 +41486,7 @@
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+ "-10.3 kcal/mol"
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"sele": "@0",
@@ -38731,7 +41501,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_15\nREMARK 2 A between atoms: N_4 and C_19\nREMARK 3 A between atoms: C_19 and C_20\nREMARK 4 A between atoms: C_20 and C_21\nREMARK 5 A between atoms: C_23 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.390 33.457 15.066 0.00 0.00 -0.319 N \nATOM 2 C UNL 1 19.002 32.096 14.679 0.00 0.00 +0.156 C \nATOM 3 C UNL 1 18.300 32.124 13.307 0.00 0.00 +0.150 C \nATOM 4 N UNL 1 17.137 33.134 13.286 0.00 0.00 +0.238 N \nATOM 5 C UNL 1 17.631 34.524 13.721 0.00 0.00 +0.150 C \nATOM 6 C UNL 1 18.327 34.464 15.096 0.00 0.00 +0.156 C \nATOM 7 H UNL 1 16.453 32.814 13.984 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 15\nATOM 8 C UNL 1 25.952 33.349 14.971 0.00 0.00 +0.065 C \nATOM 9 C UNL 1 24.472 33.388 15.209 0.00 0.00 +0.039 C \nATOM 10 N UNL 1 24.053 33.479 16.492 0.00 0.00 -0.252 NA\nATOM 11 C UNL 1 22.734 33.526 16.746 0.00 0.00 +0.073 C \nATOM 12 C UNL 1 21.753 33.473 15.731 0.00 0.00 +0.021 C \nATOM 13 C UNL 1 22.227 33.380 14.408 0.00 0.00 +0.013 C \nATOM 14 C UNL 1 23.591 33.336 14.142 0.00 0.00 +0.024 C \nATOM 15 C UNL 1 20.369 33.532 16.069 0.00 0.00 +0.039 C \nATOM 16 C UNL 1 20.002 33.641 17.416 0.00 0.00 +0.024 C \nATOM 17 C UNL 1 20.973 33.694 18.411 0.00 0.00 +0.004 C \nATOM 18 C UNL 1 22.322 33.634 18.065 0.00 0.00 +0.028 C \nENDBRANCH 1 15\nBRANCH 4 19\nATOM 19 C UNL 1 16.478 33.140 11.919 0.00 0.00 +0.136 C \nBRANCH 19 20\nATOM 20 C UNL 1 17.502 33.116 10.779 0.00 0.00 +0.086 C \nBRANCH 20 21\nATOM 21 C UNL 1 16.828 32.836 9.458 0.00 0.00 -0.041 C \nATOM 22 C UNL 1 16.972 31.589 8.822 0.00 0.00 +0.027 C \nATOM 23 C UNL 1 16.377 31.328 7.574 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 15.630 32.352 6.980 0.00 0.00 +0.023 C \nATOM 25 C UNL 1 15.467 33.589 7.609 0.00 0.00 +0.002 C \nATOM 26 C UNL 1 16.058 33.830 8.844 0.00 0.00 +0.004 C \nBRANCH 23 27\nATOM 27 N UNL 1 16.521 30.061 6.951 0.00 0.00 -0.254 N \nATOM 28 C UNL 1 15.530 29.007 7.038 0.00 0.00 +0.134 C \nATOM 29 C UNL 1 16.004 27.942 6.059 0.00 0.00 +0.125 C \nATOM 30 N UNL 1 17.339 28.337 5.743 0.00 0.00 -0.297 N \nATOM 31 C UNL 1 17.630 29.611 6.207 0.00 0.00 +0.307 C \nATOM 32 O UNL 1 18.692 30.164 5.975 0.00 0.00 -0.252 OA\nATOM 33 H UNL 1 18.000 27.843 5.156 0.00 0.00 +0.150 HD\nENDBRANCH 23 27\nENDBRANCH 20 21\nENDBRANCH 19 20\nENDBRANCH 4 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: N_3 and C_27\nREMARK 3 A between atoms: N_13 and C_18\nREMARK 4 A between atoms: C_18 and C_19\nREMARK 5 A between atoms: C_19 and N_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.691 34.261 14.162 0.00 0.00 -0.018 C \nATOM 2 C UNL 1 18.692 33.762 12.873 0.00 0.00 +0.096 C \nATOM 3 N UNL 1 17.397 33.702 12.379 0.00 0.00 -0.316 N \nATOM 4 C UNL 1 16.528 34.075 13.402 0.00 0.00 +0.054 C \nATOM 5 C UNL 1 17.312 34.462 14.500 0.00 0.00 +0.005 C \nATOM 6 C UNL 1 16.665 34.925 15.668 0.00 0.00 +0.030 C \nATOM 7 C UNL 1 15.270 34.951 15.728 0.00 0.00 +0.042 C \nATOM 8 C UNL 1 14.505 34.512 14.659 0.00 0.00 +0.022 C \nATOM 9 C UNL 1 15.120 34.060 13.488 0.00 0.00 +0.028 C \nATOM 10 CL UNL 1 14.495 35.508 17.161 0.00 0.00 -0.084 Cl\nENDROOT\nBRANCH 1 16\nATOM 11 C UNL 1 21.030 35.243 14.341 0.00 0.00 +0.059 C \nATOM 12 C UNL 1 21.869 34.297 13.500 0.00 0.00 +0.132 C \nATOM 13 N UNL 1 22.364 33.130 14.338 0.00 0.00 +0.236 N \nATOM 14 C UNL 1 21.241 32.384 15.018 0.00 0.00 +0.132 C \nATOM 15 C UNL 1 20.374 33.326 15.837 0.00 0.00 +0.059 C \nATOM 16 C UNL 1 19.873 34.548 15.063 0.00 0.00 +0.031 C \nATOM 17 H UNL 1 22.986 33.520 15.059 0.00 0.00 +0.203 HD\nBRANCH 13 18\nATOM 18 C UNL 1 23.213 32.218 13.446 0.00 0.00 +0.150 C \nBRANCH 18 19\nATOM 19 C UNL 1 24.607 32.794 13.125 0.00 0.00 +0.160 C \nBRANCH 19 20\nATOM 20 N UNL 1 25.500 31.847 12.479 0.00 0.00 -0.279 N \nATOM 21 C UNL 1 26.743 31.403 13.083 0.00 0.00 +0.128 C \nATOM 22 C UNL 1 27.336 30.453 12.046 0.00 0.00 +0.124 C \nATOM 23 N UNL 1 26.552 30.702 10.868 0.00 0.00 -0.298 N \nATOM 24 C UNL 1 25.458 31.493 11.135 0.00 0.00 +0.302 C \nATOM 25 O UNL 1 24.597 31.817 10.336 0.00 0.00 -0.253 OA\nATOM 26 H UNL 1 26.712 30.309 9.947 0.00 0.00 +0.150 HD\nENDBRANCH 19 20\nENDBRANCH 18 19\nENDBRANCH 13 18\nENDBRANCH 1 16\nBRANCH 3 27\nATOM 27 C UNL 1 17.078 33.341 11.033 0.00 0.00 +0.047 C \nATOM 28 C UNL 1 16.271 34.170 10.240 0.00 0.00 +0.029 C \nATOM 29 C UNL 1 15.992 33.818 8.916 0.00 0.00 +0.040 C \nATOM 30 C UNL 1 16.518 32.647 8.388 0.00 0.00 +0.124 C \nATOM 31 C UNL 1 17.328 31.820 9.154 0.00 0.00 +0.040 C \nATOM 32 C UNL 1 17.616 32.167 10.478 0.00 0.00 +0.029 C \nATOM 33 F UNL 1 16.251 32.315 7.119 0.00 0.00 -0.205 F \nENDBRANCH 3 27\nTORSDOF 5\n",
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@@ -38752,7 +41522,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-9.9 kcal/mol"
+ "-10.2 kcal/mol"
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@@ -38767,7 +41537,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_15\nREMARK 2 A between atoms: N_4 and C_19\nREMARK 3 A between atoms: C_19 and C_20\nREMARK 4 A between atoms: C_20 and C_21\nREMARK 5 A between atoms: C_23 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.772 32.060 8.949 0.00 0.00 -0.319 N \nATOM 2 C UNL 1 17.606 31.750 10.115 0.00 0.00 +0.156 C \nATOM 3 C UNL 1 16.945 32.303 11.393 0.00 0.00 +0.150 C \nATOM 4 N UNL 1 16.602 33.798 11.251 0.00 0.00 +0.238 N \nATOM 5 C UNL 1 15.743 34.031 9.997 0.00 0.00 +0.150 C \nATOM 6 C UNL 1 16.431 33.468 8.737 0.00 0.00 +0.156 C \nATOM 7 H UNL 1 17.491 34.295 11.116 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 15\nATOM 8 C UNL 1 13.300 27.589 5.627 0.00 0.00 +0.065 C \nATOM 9 C UNL 1 14.251 28.571 6.242 0.00 0.00 +0.039 C \nATOM 10 N UNL 1 15.466 28.704 5.662 0.00 0.00 -0.252 NA\nATOM 11 C UNL 1 16.344 29.581 6.178 0.00 0.00 +0.073 C \nATOM 12 C UNL 1 16.063 30.373 7.314 0.00 0.00 +0.021 C \nATOM 13 C UNL 1 14.788 30.209 7.889 0.00 0.00 +0.013 C \nATOM 14 C UNL 1 13.876 29.304 7.355 0.00 0.00 +0.024 C \nATOM 15 C UNL 1 17.038 31.288 7.808 0.00 0.00 +0.039 C \nATOM 16 C UNL 1 18.271 31.388 7.152 0.00 0.00 +0.024 C \nATOM 17 C UNL 1 18.541 30.607 6.033 0.00 0.00 +0.004 C \nATOM 18 C UNL 1 17.578 29.715 5.563 0.00 0.00 +0.028 C \nENDBRANCH 1 15\nBRANCH 4 19\nATOM 19 C UNL 1 15.945 34.304 12.523 0.00 0.00 +0.136 C \nBRANCH 19 20\nATOM 20 C UNL 1 16.542 33.662 13.780 0.00 0.00 +0.086 C \nBRANCH 20 21\nATOM 21 C UNL 1 17.760 34.425 14.243 0.00 0.00 -0.041 C \nATOM 22 C UNL 1 19.056 33.937 13.995 0.00 0.00 +0.027 C \nATOM 23 C UNL 1 20.199 34.620 14.452 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 20.005 35.809 15.165 0.00 0.00 +0.023 C \nATOM 25 C UNL 1 18.724 36.311 15.403 0.00 0.00 +0.002 C \nATOM 26 C UNL 1 17.606 35.627 14.942 0.00 0.00 +0.004 C \nBRANCH 23 27\nATOM 27 N UNL 1 21.500 34.122 14.183 0.00 0.00 -0.254 N \nATOM 28 C UNL 1 22.019 32.891 14.743 0.00 0.00 +0.134 C \nATOM 29 C UNL 1 23.338 32.657 14.019 0.00 0.00 +0.125 C \nATOM 30 N UNL 1 23.590 33.897 13.356 0.00 0.00 -0.297 N \nATOM 31 C UNL 1 22.489 34.739 13.391 0.00 0.00 +0.307 C \nATOM 32 O UNL 1 22.472 35.815 12.818 0.00 0.00 -0.252 OA\nATOM 33 H UNL 1 24.407 34.144 12.812 0.00 0.00 +0.150 HD\nENDBRANCH 23 27\nENDBRANCH 20 21\nENDBRANCH 19 20\nENDBRANCH 4 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 23.900 34.384 14.638 0.00 0.00 +0.237 N \nATOM 2 C UNL 1 23.192 34.445 13.275 0.00 0.00 +0.150 C \nATOM 3 C UNL 1 22.274 35.687 13.211 0.00 0.00 +0.157 C \nATOM 4 N UNL 1 21.360 35.747 14.363 0.00 0.00 -0.305 N \nATOM 5 C UNL 1 21.995 35.670 15.686 0.00 0.00 +0.157 C \nATOM 6 C UNL 1 22.881 34.404 15.784 0.00 0.00 +0.150 C \nATOM 7 C UNL 1 20.185 35.006 14.230 0.00 0.00 +0.122 C \nATOM 8 N UNL 1 20.192 33.934 13.421 0.00 0.00 -0.237 NA\nATOM 9 C UNL 1 19.056 33.197 13.285 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 17.863 33.491 13.959 0.00 0.00 -0.018 C \nATOM 11 C UNL 1 16.617 32.653 13.762 0.00 0.00 +0.037 C \nATOM 12 C UNL 1 15.781 33.036 12.539 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 16.297 32.517 11.191 0.00 0.00 +0.000 C \nATOM 14 C UNL 1 17.523 33.256 10.653 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 18.855 32.529 10.860 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 19.157 32.073 12.286 0.00 0.00 +0.056 C \nATOM 17 C UNL 1 17.865 34.620 14.804 0.00 0.00 -0.010 C \nATOM 18 C UNL 1 19.046 35.367 14.933 0.00 0.00 +0.052 C \nATOM 19 H UNL 1 24.415 35.270 14.713 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 17 20\nATOM 20 C UNL 1 16.680 35.071 15.546 0.00 0.00 -0.017 C \nATOM 21 C UNL 1 15.536 35.523 14.864 0.00 0.00 +0.011 C \nATOM 22 C UNL 1 14.407 35.941 15.572 0.00 0.00 +0.039 C \nATOM 23 C UNL 1 14.415 35.904 16.961 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 15.532 35.456 17.657 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 16.661 35.039 16.951 0.00 0.00 +0.011 C \nATOM 26 F UNL 1 13.332 36.303 17.638 0.00 0.00 -0.205 F \nENDBRANCH 17 20\nBRANCH 1 28\nATOM 27 C UNL 1 25.078 32.470 13.484 0.00 0.00 +0.060 C \nATOM 28 C UNL 1 24.938 33.299 14.747 0.00 0.00 +0.128 C \nENDBRANCH 1 28\nTORSDOF 2\n",
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@@ -38788,7 +41558,7 @@
"kwargs": {
"backgroundColor": "black",
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- "-9.8 kcal/mol"
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"sele": "@0",
@@ -38803,7 +41573,7 @@
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- "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_15\nREMARK 2 A between atoms: N_4 and C_19\nREMARK 3 A between atoms: C_19 and C_20\nREMARK 4 A between atoms: C_20 and C_21\nREMARK 5 A between atoms: C_23 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.001 33.103 11.028 0.00 0.00 -0.319 N \nATOM 2 C UNL 1 18.461 33.249 11.004 0.00 0.00 +0.156 C \nATOM 3 C UNL 1 19.086 32.440 12.157 0.00 0.00 +0.150 C \nATOM 4 N UNL 1 18.445 32.796 13.512 0.00 0.00 +0.238 N \nATOM 5 C UNL 1 16.918 32.631 13.439 0.00 0.00 +0.150 C \nATOM 6 C UNL 1 16.323 33.452 12.277 0.00 0.00 +0.156 C \nATOM 7 H UNL 1 18.643 33.790 13.681 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 15\nATOM 8 C UNL 1 16.161 29.981 5.315 0.00 0.00 +0.065 C \nATOM 9 C UNL 1 16.244 30.858 6.528 0.00 0.00 +0.039 C \nATOM 10 N UNL 1 15.665 32.079 6.452 0.00 0.00 -0.252 NA\nATOM 11 C UNL 1 15.710 32.891 7.521 0.00 0.00 +0.073 C \nATOM 12 C UNL 1 16.345 32.535 8.732 0.00 0.00 +0.021 C \nATOM 13 C UNL 1 16.934 31.256 8.775 0.00 0.00 +0.013 C \nATOM 14 C UNL 1 16.886 30.412 7.671 0.00 0.00 +0.024 C \nATOM 15 C UNL 1 16.352 33.443 9.831 0.00 0.00 +0.039 C \nATOM 16 C UNL 1 15.722 34.686 9.691 0.00 0.00 +0.024 C \nATOM 17 C UNL 1 15.097 35.030 8.497 0.00 0.00 +0.004 C \nATOM 18 C UNL 1 15.100 34.132 7.430 0.00 0.00 +0.028 C \nENDBRANCH 1 15\nBRANCH 4 19\nATOM 19 C UNL 1 19.079 31.973 14.619 0.00 0.00 +0.136 C \nBRANCH 19 20\nATOM 20 C UNL 1 19.973 32.818 15.532 0.00 0.00 +0.086 C \nBRANCH 20 21\nATOM 21 C UNL 1 21.094 33.454 14.746 0.00 0.00 -0.041 C \nATOM 22 C UNL 1 22.227 32.709 14.370 0.00 0.00 +0.027 C \nATOM 23 C UNL 1 23.294 33.298 13.667 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 23.193 34.657 13.349 0.00 0.00 +0.023 C \nATOM 25 C UNL 1 22.067 35.403 13.704 0.00 0.00 +0.002 C \nATOM 26 C UNL 1 21.020 34.806 14.394 0.00 0.00 +0.004 C \nBRANCH 23 27\nATOM 27 N UNL 1 24.424 32.530 13.283 0.00 0.00 -0.254 N \nATOM 28 C UNL 1 24.409 31.566 12.202 0.00 0.00 +0.134 C \nATOM 29 C UNL 1 25.865 31.159 12.020 0.00 0.00 +0.125 C \nATOM 30 N UNL 1 26.514 31.679 13.181 0.00 0.00 -0.297 N \nATOM 31 C UNL 1 25.694 32.540 13.894 0.00 0.00 +0.307 C \nATOM 32 O UNL 1 26.084 33.149 14.876 0.00 0.00 -0.252 OA\nATOM 33 H UNL 1 27.486 31.564 13.441 0.00 0.00 +0.150 HD\nENDBRANCH 23 27\nENDBRANCH 20 21\nENDBRANCH 19 20\nENDBRANCH 4 19\nTORSDOF 5\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_4 and C_20\nREMARK 2 A between atoms: C_20 and N_21\nREMARK 3 A between atoms: C_22 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK 5 A between atoms: C_26 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.478 32.395 12.707 0.00 0.00 +0.190 C \nATOM 2 N UNL 1 20.081 32.438 13.265 0.00 0.00 +0.236 N \nATOM 3 C UNL 1 19.066 32.923 12.241 0.00 0.00 +0.136 C \nATOM 4 C UNL 1 17.658 32.703 12.795 0.00 0.00 +0.052 C \nATOM 5 C UNL 1 17.473 33.412 14.142 0.00 0.00 +0.024 C \nATOM 6 C UNL 1 18.518 32.979 15.178 0.00 0.00 +0.069 C \nATOM 7 C UNL 1 19.984 33.154 14.622 0.00 0.00 +0.076 C \nATOM 8 C UNL 1 20.514 34.631 14.542 0.00 0.00 +0.092 C \nATOM 9 C UNL 1 20.175 35.372 15.786 0.00 0.00 -0.017 C \nATOM 10 C UNL 1 20.669 36.519 16.362 0.00 0.00 +0.090 C \nATOM 11 N UNL 1 19.941 36.756 17.513 0.00 0.00 -0.349 N \nATOM 12 C UNL 1 18.992 35.770 17.693 0.00 0.00 +0.049 C \nATOM 13 C UNL 1 18.014 35.543 18.666 0.00 0.00 +0.026 C \nATOM 14 C UNL 1 17.192 34.414 18.496 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 17.337 33.549 17.404 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 18.324 33.785 16.442 0.00 0.00 -0.030 C \nATOM 17 C UNL 1 19.136 34.911 16.620 0.00 0.00 +0.007 C \nATOM 18 C UNL 1 20.130 37.893 18.390 0.00 0.00 +0.149 C \nATOM 19 H UNL 1 19.850 31.454 13.459 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 4 20\nATOM 20 C UNL 1 16.579 33.093 11.771 0.00 0.00 +0.116 C \nBRANCH 20 21\nATOM 21 N UNL 1 16.474 32.207 10.638 0.00 0.00 -0.281 N \nATOM 22 C UNL 1 16.376 32.684 9.361 0.00 0.00 +0.401 C \nATOM 23 O UNL 1 16.128 33.839 9.060 0.00 0.00 -0.226 OA\nATOM 24 H UNL 1 16.829 31.258 10.658 0.00 0.00 +0.152 HD\nBRANCH 22 25\nATOM 25 O UNL 1 16.656 31.676 8.509 0.00 0.00 -0.446 OA\nBRANCH 25 26\nATOM 26 C UNL 1 16.156 31.873 7.182 0.00 0.00 +0.269 C \nBRANCH 26 27\nATOM 27 C UNL 1 15.392 30.637 6.776 0.00 0.00 -0.010 C \nATOM 28 C UNL 1 14.274 30.214 7.507 0.00 0.00 +0.007 C \nATOM 29 C UNL 1 13.560 29.079 7.119 0.00 0.00 +0.000 C \nATOM 30 C UNL 1 13.954 28.355 5.997 0.00 0.00 +0.000 C \nATOM 31 C UNL 1 15.061 28.766 5.258 0.00 0.00 +0.000 C \nATOM 32 C UNL 1 15.775 29.902 5.643 0.00 0.00 +0.007 C \nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 22 25\nENDBRANCH 20 21\nENDBRANCH 4 20\nTORSDOF 5\n",
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@@ -38824,7 +41594,7 @@
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@@ -38839,7 +41609,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.312 33.342 13.260 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 20.080 34.121 13.749 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 19.514 33.503 14.966 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 20.485 33.318 16.071 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 21.720 32.538 15.595 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 22.318 33.199 14.376 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 18.316 34.010 15.373 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 18.154 34.897 16.326 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 16.802 35.114 16.409 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 16.090 35.977 17.254 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 14.693 36.016 17.154 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 14.022 35.211 16.232 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 14.717 34.344 15.383 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 16.113 34.322 15.497 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 17.105 33.613 14.849 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 23.129 32.659 14.050 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 22.665 34.131 14.637 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 16.874 32.523 13.911 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 16.848 32.944 12.459 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 15.934 33.883 11.953 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 15.923 34.208 10.594 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 16.809 33.586 9.718 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 17.704 32.634 10.198 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 17.721 32.311 11.556 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_4 and C_20\nREMARK 2 A between atoms: C_20 and N_21\nREMARK 3 A between atoms: C_22 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK 5 A between atoms: C_26 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.217 35.314 15.943 0.00 0.00 +0.190 C \nATOM 2 N UNL 1 15.413 35.191 15.036 0.00 0.00 +0.236 N \nATOM 3 C UNL 1 15.434 33.870 14.284 0.00 0.00 +0.136 C \nATOM 4 C UNL 1 16.524 33.925 13.214 0.00 0.00 +0.052 C \nATOM 5 C UNL 1 17.893 34.237 13.829 0.00 0.00 +0.024 C \nATOM 6 C UNL 1 17.885 35.541 14.637 0.00 0.00 +0.069 C \nATOM 7 C UNL 1 16.743 35.535 15.725 0.00 0.00 +0.076 C \nATOM 8 C UNL 1 17.001 34.628 16.982 0.00 0.00 +0.092 C \nATOM 9 C UNL 1 18.394 34.804 17.473 0.00 0.00 -0.017 C \nATOM 10 C UNL 1 19.010 34.536 18.673 0.00 0.00 +0.090 C \nATOM 11 N UNL 1 20.343 34.876 18.544 0.00 0.00 -0.349 N \nATOM 12 C UNL 1 20.593 35.371 17.279 0.00 0.00 +0.049 C \nATOM 13 C UNL 1 21.745 35.839 16.640 0.00 0.00 +0.026 C \nATOM 14 C UNL 1 21.612 36.249 15.301 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 20.385 36.196 14.627 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 19.240 35.731 15.281 0.00 0.00 -0.030 C \nATOM 17 C UNL 1 19.383 35.324 16.614 0.00 0.00 +0.007 C \nATOM 18 C UNL 1 21.342 34.711 19.579 0.00 0.00 +0.149 C \nATOM 19 H UNL 1 15.276 35.926 14.328 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 4 20\nATOM 20 C UNL 1 16.542 32.647 12.358 0.00 0.00 +0.116 C \nBRANCH 20 21\nATOM 21 N UNL 1 15.803 32.738 11.122 0.00 0.00 -0.281 N \nATOM 22 C UNL 1 16.397 32.504 9.914 0.00 0.00 +0.401 C \nATOM 23 O UNL 1 17.599 32.442 9.722 0.00 0.00 -0.226 OA\nATOM 24 H UNL 1 14.800 32.603 11.080 0.00 0.00 +0.152 HD\nBRANCH 22 25\nATOM 25 O UNL 1 15.428 32.301 8.998 0.00 0.00 -0.446 OA\nBRANCH 25 26\nATOM 26 C UNL 1 15.904 32.200 7.651 0.00 0.00 +0.269 C \nBRANCH 26 27\nATOM 27 C UNL 1 15.323 30.950 7.036 0.00 0.00 -0.010 C \nATOM 28 C UNL 1 15.951 30.329 5.948 0.00 0.00 +0.007 C \nATOM 29 C UNL 1 15.419 29.164 5.392 0.00 0.00 +0.000 C \nATOM 30 C UNL 1 14.256 28.607 5.917 0.00 0.00 +0.000 C \nATOM 31 C UNL 1 13.623 29.211 7.001 0.00 0.00 +0.000 C \nATOM 32 C UNL 1 14.154 30.375 7.559 0.00 0.00 +0.007 C \nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 22 25\nENDBRANCH 20 21\nENDBRANCH 4 20\nTORSDOF 5\n",
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@@ -38860,7 +41630,7 @@
"kwargs": {
"backgroundColor": "black",
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+ "-9.9 kcal/mol"
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@@ -38875,7 +41645,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.158 33.771 13.658 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 18.576 34.433 13.108 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 18.921 33.660 17.516 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 19.357 33.202 16.123 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 18.827 34.192 15.082 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 17.344 34.463 15.231 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 16.695 34.267 16.450 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 17.394 33.677 17.647 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 15.333 34.567 16.504 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 14.682 35.052 15.372 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 15.412 35.208 14.206 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 16.730 34.919 14.103 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 20.590 33.985 13.244 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 21.233 32.637 12.883 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 22.517 32.371 13.681 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 23.675 31.993 12.757 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 23.752 30.520 12.618 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 23.922 30.042 13.514 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 24.527 30.251 11.994 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 22.897 30.117 12.207 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 18.558 32.452 13.211 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 17.955 32.552 11.846 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 18.115 31.684 10.861 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 17.375 32.181 9.811 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 17.179 31.662 8.523 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 16.365 32.372 7.632 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 15.765 33.574 8.013 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 15.951 34.108 9.293 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 16.763 33.378 10.162 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 17.151 33.599 11.459 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 16.880 34.402 12.013 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: N_4 and C_7\nREMARK 3 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.403 33.935 14.929 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 18.777 34.729 15.813 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 17.512 35.154 15.545 0.00 0.00 +0.047 C \nATOM 4 C UNL 1 16.818 34.811 14.376 0.00 0.00 -0.018 C \nATOM 5 C UNL 1 15.403 35.292 14.129 0.00 0.00 +0.037 C \nATOM 6 C UNL 1 14.317 34.433 14.781 0.00 0.00 +0.005 C \nATOM 7 C UNL 1 14.094 34.667 16.280 0.00 0.00 +0.000 C \nATOM 8 C UNL 1 15.179 34.079 17.184 0.00 0.00 +0.000 C \nATOM 9 C UNL 1 16.204 35.093 17.702 0.00 0.00 +0.006 C \nATOM 10 C UNL 1 16.880 35.966 16.646 0.00 0.00 +0.056 C \nATOM 11 C UNL 1 17.482 33.975 13.456 0.00 0.00 -0.010 C \nATOM 12 C UNL 1 18.787 33.549 13.749 0.00 0.00 +0.052 C \nENDROOT\nBRANCH 1 16\nATOM 13 N UNL 1 22.617 35.392 16.306 0.00 0.00 +0.237 N \nATOM 14 C UNL 1 21.494 34.825 17.189 0.00 0.00 +0.150 C \nATOM 15 C UNL 1 21.040 33.451 16.648 0.00 0.00 +0.157 C \nATOM 16 N UNL 1 20.702 33.514 15.217 0.00 0.00 -0.305 N \nATOM 17 C UNL 1 21.742 34.071 14.340 0.00 0.00 +0.157 C \nATOM 18 C UNL 1 22.174 35.471 14.840 0.00 0.00 +0.150 C \nATOM 19 H UNL 1 23.361 34.684 16.331 0.00 0.00 +0.203 HD\nBRANCH 13 21\nATOM 20 C UNL 1 22.388 37.358 17.877 0.00 0.00 +0.060 C \nATOM 21 C UNL 1 23.241 36.656 16.837 0.00 0.00 +0.128 C \nENDBRANCH 13 21\nENDBRANCH 1 16\nBRANCH 11 22\nATOM 22 C UNL 1 16.867 33.506 12.207 0.00 0.00 -0.017 C \nATOM 23 C UNL 1 17.317 33.982 10.963 0.00 0.00 +0.011 C \nATOM 24 C UNL 1 16.737 33.525 9.777 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 15.711 32.590 9.831 0.00 0.00 +0.123 C \nATOM 26 C UNL 1 15.252 32.101 11.048 0.00 0.00 +0.039 C \nATOM 27 C UNL 1 15.831 32.557 12.234 0.00 0.00 +0.011 C \nATOM 28 F UNL 1 15.157 32.153 8.693 0.00 0.00 -0.205 F \nENDBRANCH 11 22\nTORSDOF 3\n",
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@@ -38896,7 +41666,7 @@
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@@ -38911,7 +41681,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.106 34.638 14.184 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 16.823 34.771 12.877 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 16.760 33.660 12.125 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 16.926 32.426 12.621 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 17.176 32.322 13.936 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 17.284 33.403 14.769 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 16.545 33.887 10.768 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 16.458 34.881 10.619 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.483 33.062 9.641 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 17.329 31.969 9.427 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 17.239 31.196 8.262 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.297 31.509 7.281 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 15.442 32.594 7.477 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 15.537 33.358 8.646 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 16.212 30.727 6.083 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 16.140 30.091 5.115 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.212 35.819 14.921 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.034 36.636 14.349 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 20.082 37.023 19.735 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 19.329 36.727 18.472 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 17.948 36.518 18.494 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 17.244 36.210 17.319 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 17.940 36.070 16.099 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 19.329 36.324 16.064 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 20.011 36.618 17.257 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 20.122 36.272 14.784 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 15.755 35.998 17.388 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_4 and C_20\nREMARK 2 A between atoms: C_20 and N_21\nREMARK 3 A between atoms: C_22 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK 5 A between atoms: C_26 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.609 34.530 17.046 0.00 0.00 +0.190 C \nATOM 2 N UNL 1 16.056 34.478 16.634 0.00 0.00 +0.236 N \nATOM 3 C UNL 1 16.747 35.824 16.783 0.00 0.00 +0.136 C \nATOM 4 C UNL 1 18.251 35.633 16.588 0.00 0.00 +0.052 C \nATOM 5 C UNL 1 18.561 34.997 15.228 0.00 0.00 +0.024 C \nATOM 6 C UNL 1 17.833 33.661 15.031 0.00 0.00 +0.069 C \nATOM 7 C UNL 1 16.281 33.813 15.266 0.00 0.00 +0.076 C \nATOM 8 C UNL 1 15.484 34.542 14.125 0.00 0.00 +0.092 C \nATOM 9 C UNL 1 15.915 34.044 12.791 0.00 0.00 -0.017 C \nATOM 10 C UNL 1 15.340 34.080 11.542 0.00 0.00 +0.090 C \nATOM 11 N UNL 1 16.220 33.485 10.659 0.00 0.00 -0.349 N \nATOM 12 C UNL 1 17.351 33.055 11.324 0.00 0.00 +0.049 C \nATOM 13 C UNL 1 18.524 32.413 10.913 0.00 0.00 +0.026 C \nATOM 14 C UNL 1 19.490 32.150 11.900 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 19.297 32.509 13.241 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 18.117 33.145 13.639 0.00 0.00 -0.030 C \nATOM 17 C UNL 1 17.162 33.403 12.648 0.00 0.00 +0.007 C \nATOM 18 C UNL 1 16.000 33.356 9.234 0.00 0.00 +0.149 C \nATOM 19 H UNL 1 16.496 33.848 17.318 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 4 20\nATOM 20 C UNL 1 19.022 36.946 16.812 0.00 0.00 +0.116 C \nBRANCH 20 21\nATOM 21 N UNL 1 20.288 37.027 16.125 0.00 0.00 -0.281 N \nATOM 22 C UNL 1 21.449 36.606 16.711 0.00 0.00 +0.401 C \nATOM 23 O UNL 1 21.589 36.361 17.896 0.00 0.00 -0.226 OA\nATOM 24 H UNL 1 20.356 37.029 15.115 0.00 0.00 +0.152 HD\nBRANCH 22 25\nATOM 25 O UNL 1 22.380 36.458 15.746 0.00 0.00 -0.446 OA\nBRANCH 25 26\nATOM 26 C UNL 1 21.843 36.144 14.455 0.00 0.00 +0.269 C \nBRANCH 26 27\nATOM 27 C UNL 1 22.274 34.744 14.092 0.00 0.00 -0.010 C \nATOM 28 C UNL 1 22.198 33.706 15.029 0.00 0.00 +0.007 C \nATOM 29 C UNL 1 22.583 32.409 14.684 0.00 0.00 +0.000 C \nATOM 30 C UNL 1 23.046 32.135 13.399 0.00 0.00 +0.000 C \nATOM 31 C UNL 1 23.123 33.157 12.456 0.00 0.00 +0.000 C \nATOM 32 C UNL 1 22.737 34.454 12.798 0.00 0.00 +0.007 C \nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 22 25\nENDBRANCH 20 21\nENDBRANCH 4 20\nTORSDOF 5\n",
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@@ -38932,7 +41702,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.4 kcal/mol"
+ "-9.8 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -38947,7 +41717,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.804 33.344 11.470 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 18.150 33.235 11.579 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 18.652 33.097 12.839 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 20.012 33.004 13.112 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 20.519 32.874 14.348 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 19.646 32.851 15.349 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 18.328 32.938 15.210 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 17.843 33.060 13.978 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 16.514 33.151 13.848 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 15.988 33.276 12.611 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 14.607 33.375 12.576 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 20.140 32.722 16.614 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 14.187 33.295 13.495 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 14.127 32.922 11.809 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 21.134 32.637 16.730 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 19.485 32.679 17.375 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 15.339 33.807 7.460 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.906 32.602 7.866 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 16.388 32.460 9.170 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.302 33.514 10.097 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 15.739 34.727 9.659 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 15.260 34.871 8.354 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 20.938 32.975 12.074 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 20.666 33.432 11.212 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 21.908 32.961 12.356 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.990 31.891 11.592 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 16.905 32.776 12.223 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 17.401 33.607 13.428 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 18.606 32.877 14.136 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 19.046 33.460 15.520 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 17.853 33.692 16.376 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 17.667 33.788 17.735 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 16.332 34.071 17.954 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 15.663 34.169 16.754 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.337 34.461 16.437 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 14.010 34.497 15.072 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 14.960 34.236 14.073 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 16.282 33.909 14.406 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 16.599 33.915 15.771 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 19.788 32.741 13.152 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 19.358 32.592 11.694 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 20.874 33.777 13.257 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 15.907 34.209 18.863 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 20.237 31.842 13.385 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.862 32.025 8.085 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 17.154 32.467 9.356 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 16.993 33.627 9.732 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 17.629 31.524 10.231 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 18.020 30.686 9.829 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 14.914 33.125 7.030 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 16.430 33.020 7.099 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 16.906 30.632 7.626 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 17.829 30.461 6.431 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
"type": "blob"
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@@ -38968,7 +41738,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.2 kcal/mol"
+ "-9.7 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -38983,7 +41753,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.269 34.489 14.488 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 16.864 34.693 13.223 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 16.892 33.653 12.373 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 17.266 32.418 12.734 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 17.635 32.238 14.012 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 17.662 33.248 14.937 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 16.538 33.963 11.062 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 16.303 34.944 11.017 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.498 33.239 9.868 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 15.715 33.593 8.765 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 15.693 32.810 7.604 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.458 31.645 7.528 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 17.249 31.274 8.616 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 17.266 32.066 9.770 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 16.428 30.835 6.346 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 16.403 30.176 5.391 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.272 35.606 15.327 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 16.937 36.435 14.851 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 20.588 36.478 19.922 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 19.726 36.232 18.718 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 20.171 36.572 17.438 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 19.357 36.372 16.313 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 18.053 35.856 16.471 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 17.616 35.468 17.757 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 18.446 35.691 18.868 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 16.269 34.837 17.990 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 19.878 36.748 14.951 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_4 and C_20\nREMARK 2 A between atoms: C_20 and N_21\nREMARK 3 A between atoms: C_22 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK 5 A between atoms: C_26 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 23.371 33.322 13.800 0.00 0.00 +0.190 C \nATOM 2 N UNL 1 21.909 32.976 13.895 0.00 0.00 +0.236 N \nATOM 3 C UNL 1 21.172 33.218 12.587 0.00 0.00 +0.136 C \nATOM 4 C UNL 1 19.771 32.616 12.687 0.00 0.00 +0.052 C \nATOM 5 C UNL 1 18.999 33.198 13.877 0.00 0.00 +0.024 C \nATOM 6 C UNL 1 19.746 33.012 15.204 0.00 0.00 +0.069 C \nATOM 7 C UNL 1 21.213 33.587 15.122 0.00 0.00 +0.076 C \nATOM 8 C UNL 1 21.337 35.153 15.143 0.00 0.00 +0.092 C \nATOM 9 C UNL 1 20.448 35.730 16.188 0.00 0.00 -0.017 C \nATOM 10 C UNL 1 20.422 36.942 16.836 0.00 0.00 +0.090 C \nATOM 11 N UNL 1 19.338 36.935 17.693 0.00 0.00 -0.349 N \nATOM 12 C UNL 1 18.671 35.729 17.614 0.00 0.00 +0.049 C \nATOM 13 C UNL 1 17.535 35.215 18.246 0.00 0.00 +0.026 C \nATOM 14 C UNL 1 17.130 33.919 17.881 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 17.828 33.165 16.928 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 18.966 33.689 16.308 0.00 0.00 -0.030 C \nATOM 17 C UNL 1 19.360 34.981 16.678 0.00 0.00 +0.007 C \nATOM 18 C UNL 1 18.942 38.045 18.533 0.00 0.00 +0.149 C \nATOM 19 H UNL 1 21.895 31.959 14.052 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 4 20\nATOM 20 C UNL 1 19.001 32.751 11.363 0.00 0.00 +0.116 C \nBRANCH 20 21\nATOM 21 N UNL 1 17.812 33.565 11.437 0.00 0.00 -0.281 N \nATOM 22 C UNL 1 16.626 33.150 10.899 0.00 0.00 +0.401 C \nATOM 23 O UNL 1 16.493 32.220 10.124 0.00 0.00 -0.226 OA\nATOM 24 H UNL 1 17.674 34.256 12.164 0.00 0.00 +0.152 HD\nBRANCH 22 25\nATOM 25 O UNL 1 15.638 33.908 11.419 0.00 0.00 -0.446 OA\nBRANCH 25 26\nATOM 26 C UNL 1 14.802 33.220 12.357 0.00 0.00 +0.269 C \nBRANCH 26 27\nATOM 27 C UNL 1 14.702 34.061 13.606 0.00 0.00 -0.010 C \nATOM 28 C UNL 1 13.542 34.040 14.392 0.00 0.00 +0.007 C \nATOM 29 C UNL 1 13.458 34.807 15.555 0.00 0.00 +0.000 C \nATOM 30 C UNL 1 14.533 35.603 15.947 0.00 0.00 +0.000 C \nATOM 31 C UNL 1 15.693 35.631 15.177 0.00 0.00 +0.000 C \nATOM 32 C UNL 1 15.779 34.863 14.015 0.00 0.00 +0.007 C \nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 22 25\nENDBRANCH 20 21\nENDBRANCH 4 20\nTORSDOF 5\n",
"type": "blob"
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@@ -39004,7 +41774,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.1 kcal/mol"
+ "-9.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39019,7 +41789,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.974 33.882 14.956 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.619 33.204 15.922 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 20.611 33.827 16.579 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 20.962 35.099 16.348 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 20.279 35.761 15.399 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 19.273 35.195 14.663 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.283 33.033 17.505 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.860 32.117 17.509 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.390 33.232 18.335 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 23.709 33.303 17.875 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 24.781 33.473 18.760 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 24.551 33.573 20.133 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 23.243 33.507 20.612 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 22.177 33.340 19.719 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 25.648 33.735 21.041 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 26.539 33.865 21.774 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.983 33.184 14.263 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.874 32.240 14.612 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 15.859 33.890 8.985 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 16.407 33.688 10.367 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 15.684 34.095 11.491 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 16.207 33.934 12.784 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 17.498 33.392 12.957 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 18.214 32.938 11.828 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 17.672 33.121 10.544 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 19.561 32.275 11.945 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 15.392 34.383 13.967 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.669 33.582 9.791 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 17.781 32.599 10.186 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 18.435 33.022 11.497 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.415 32.996 12.656 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 18.048 33.720 13.901 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.014 33.979 14.935 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 17.077 34.231 16.284 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 15.783 34.404 16.737 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.893 34.264 15.694 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 13.501 34.343 15.636 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 12.906 34.142 14.380 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 13.668 33.880 13.233 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 15.064 33.813 13.307 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 15.651 34.004 14.566 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 16.038 33.556 12.220 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 15.728 33.843 10.941 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 19.659 32.190 11.766 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 18.732 34.000 11.387 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 15.522 34.606 17.693 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.800 31.625 8.594 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 15.933 32.995 8.584 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 15.468 33.710 7.702 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 16.125 31.083 9.386 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.120 30.898 7.516 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 15.824 29.783 5.308 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 16.152 30.032 6.772 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 13.936 30.094 8.087 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 12.841 30.034 7.184 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 12.489 30.936 7.080 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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@@ -39040,7 +41810,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-9.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39055,7 +41825,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.514 33.627 11.808 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 15.516 33.960 12.662 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 15.821 33.952 13.990 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 14.896 34.243 14.986 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 15.182 34.232 16.298 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 16.427 33.909 16.633 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 17.391 33.608 15.770 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 17.091 33.628 14.475 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 18.068 33.319 13.615 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 17.798 33.330 12.291 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 18.866 32.987 11.479 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 16.738 33.890 17.960 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 19.716 32.817 12.005 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 18.959 33.478 10.599 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 16.022 34.134 18.621 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 17.683 33.670 18.221 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 15.427 33.652 7.653 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.377 34.826 8.399 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.725 34.810 9.753 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.140 33.624 10.384 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 16.167 32.448 9.613 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 15.817 32.462 8.260 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 13.603 34.634 14.655 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 13.244 34.301 13.767 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 12.977 34.773 15.434 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.810 34.206 13.235 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 15.721 34.488 14.047 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 14.284 34.179 13.779 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 13.540 33.804 15.057 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 13.264 34.941 15.913 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 14.136 35.753 16.587 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 13.673 36.563 17.390 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 15.602 35.689 16.382 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 16.209 35.142 15.226 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 17.599 35.206 15.103 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 18.422 35.772 16.081 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 17.801 36.298 17.209 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 16.424 36.271 17.366 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 18.558 36.855 18.165 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 17.932 34.643 13.895 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 12.301 35.117 16.175 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 18.876 34.566 13.544 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 17.073 32.395 9.377 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 17.710 31.813 10.484 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 17.616 32.403 11.747 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 16.882 33.579 11.924 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 16.236 34.157 10.828 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 16.326 33.568 9.564 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 17.153 31.747 8.024 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 15.985 29.913 6.788 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 16.589 30.369 8.063 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 17.335 29.720 8.346 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 15.889 30.325 8.815 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
"type": "blob"
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@@ -39076,7 +41846,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.1 kcal/mol"
+ "-9.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39091,7 +41861,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.712 33.671 14.901 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.428 32.996 15.818 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 20.364 33.666 16.509 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 20.592 34.978 16.359 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 19.839 35.632 15.459 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 18.883 35.022 14.693 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.119 32.881 17.378 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.784 31.931 17.324 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.211 33.130 18.214 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 23.524 33.287 17.758 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 24.583 33.504 18.647 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 24.346 33.564 20.021 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 23.044 33.413 20.497 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 21.991 33.199 19.599 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 25.431 33.775 20.935 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 26.311 33.941 21.673 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.783 32.928 14.169 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.767 31.958 14.456 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 15.829 34.066 8.901 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 16.348 33.786 10.280 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 17.591 33.176 10.467 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 18.066 32.884 11.756 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 17.267 33.173 12.882 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 16.030 33.831 12.701 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 15.572 34.100 11.400 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 15.162 34.241 13.861 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 19.413 32.230 11.911 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.482 34.126 13.109 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 17.369 34.488 14.113 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 18.858 34.360 14.098 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 19.531 35.524 14.819 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 19.415 35.447 16.262 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 18.298 35.527 17.049 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 18.451 35.600 18.268 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 16.927 35.526 16.486 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 16.608 35.026 15.201 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 15.268 35.003 14.803 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 14.228 35.468 15.614 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 14.570 35.959 16.870 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 15.883 35.987 17.312 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 13.598 36.408 17.675 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 15.222 34.450 13.546 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 20.268 35.461 16.809 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 14.371 34.304 13.021 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 17.109 32.296 9.303 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 16.327 33.455 9.417 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 16.129 34.056 10.663 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 16.713 33.513 11.811 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 17.503 32.366 11.701 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 17.704 31.762 10.456 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 17.342 31.664 7.960 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 15.299 30.469 7.151 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 16.604 30.374 7.847 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 17.208 29.696 7.365 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 16.467 29.994 8.793 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
"type": "blob"
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@@ -39112,7 +41882,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-8.0 kcal/mol"
+ "-9.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39127,7 +41897,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.947 34.559 14.078 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 16.785 34.772 12.760 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 16.611 33.705 11.965 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 16.543 32.449 12.423 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 16.672 32.272 13.749 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 16.886 33.300 14.628 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 16.559 33.999 10.605 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 16.651 34.997 10.485 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.467 33.223 9.445 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 15.628 33.525 8.369 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 15.552 32.690 7.247 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.317 31.524 7.186 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 17.161 31.204 8.249 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 17.232 32.048 9.364 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 16.233 30.663 6.044 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 16.170 29.965 5.118 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.192 35.691 14.860 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.162 36.530 14.292 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 20.147 35.731 14.658 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 19.389 35.893 15.951 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 20.129 36.138 17.122 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 19.501 36.377 18.348 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 18.106 36.315 18.409 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 17.342 36.054 17.257 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.982 35.818 16.021 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.839 36.036 17.362 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 20.344 36.707 19.505 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 21.446 36.018 19.834 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 22.166 36.275 21.148 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 22.763 36.487 22.237 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.224 32.557 12.696 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 18.783 32.803 11.245 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 17.311 32.454 11.062 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 16.416 33.360 11.936 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 14.957 32.770 11.946 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 14.136 33.427 12.993 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 12.781 33.556 13.181 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 12.588 34.272 14.347 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 13.803 34.605 14.905 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.139 35.313 16.060 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.507 35.471 16.333 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 16.495 34.939 15.493 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.142 34.223 14.344 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 14.773 34.078 14.072 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.027 33.583 13.342 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 18.271 33.192 13.678 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 16.941 32.485 9.605 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 17.181 31.494 11.404 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 11.688 34.517 14.739 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 21.648 32.185 12.670 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 20.644 33.108 12.853 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 20.853 34.295 13.083 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 21.430 31.235 12.396 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 23.067 32.542 12.781 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 23.948 33.973 14.729 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 23.448 32.612 14.271 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 23.926 31.553 11.969 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 23.875 30.236 12.499 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 24.294 30.251 13.378 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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@@ -39148,7 +41918,7 @@
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@@ -39163,7 +41933,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.216 34.047 16.436 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.961 33.288 17.258 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 21.034 33.850 17.837 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 21.369 35.137 17.673 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 20.584 35.878 16.875 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 19.491 35.377 16.218 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.814 32.973 18.587 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 21.391 32.057 18.556 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 23.021 33.096 19.281 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 24.278 32.907 18.699 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 25.453 33.009 19.455 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 25.390 33.297 20.819 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 24.145 33.489 21.419 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 22.977 33.389 20.655 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 26.590 33.391 21.595 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 27.562 33.463 22.226 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 18.149 33.406 15.801 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 18.077 32.443 16.111 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 19.634 32.564 13.381 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 18.266 33.195 13.352 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 17.633 33.338 12.104 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 16.333 33.842 11.997 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 15.679 34.260 13.159 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 16.296 34.146 14.418 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.606 33.632 14.520 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.538 34.573 15.648 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 15.713 33.880 10.666 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 16.199 33.215 9.607 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.639 33.448 8.213 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 15.175 33.640 7.057 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: N_3 and C_27\nREMARK 3 A between atoms: N_13 and C_18\nREMARK 4 A between atoms: C_18 and C_19\nREMARK 5 A between atoms: C_19 and N_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.635 33.886 12.822 0.00 0.00 -0.018 C \nATOM 2 C UNL 1 17.935 33.510 12.548 0.00 0.00 +0.096 C \nATOM 3 N UNL 1 18.747 33.739 13.649 0.00 0.00 -0.316 N \nATOM 4 C UNL 1 17.978 34.371 14.625 0.00 0.00 +0.054 C \nATOM 5 C UNL 1 16.660 34.435 14.147 0.00 0.00 +0.005 C \nATOM 6 C UNL 1 15.664 35.003 14.974 0.00 0.00 +0.030 C \nATOM 7 C UNL 1 16.008 35.525 16.222 0.00 0.00 +0.042 C \nATOM 8 C UNL 1 17.323 35.508 16.660 0.00 0.00 +0.022 C \nATOM 9 C UNL 1 18.326 34.942 15.867 0.00 0.00 +0.028 C \nATOM 10 CL UNL 1 14.786 36.223 17.213 0.00 0.00 -0.084 Cl\nENDROOT\nBRANCH 1 16\nATOM 11 C UNL 1 15.175 32.344 11.424 0.00 0.00 +0.059 C \nATOM 12 C UNL 1 16.080 31.967 10.264 0.00 0.00 +0.132 C \nATOM 13 N UNL 1 15.968 32.985 9.142 0.00 0.00 +0.236 N \nATOM 14 C UNL 1 16.254 34.394 9.605 0.00 0.00 +0.132 C \nATOM 15 C UNL 1 15.377 34.772 10.787 0.00 0.00 +0.059 C \nATOM 16 C UNL 1 15.412 33.765 11.939 0.00 0.00 +0.031 C \nATOM 17 H UNL 1 15.001 32.942 8.792 0.00 0.00 +0.203 HD\nBRANCH 13 18\nATOM 18 C UNL 1 16.888 32.550 7.997 0.00 0.00 +0.150 C \nBRANCH 18 19\nATOM 19 C UNL 1 17.249 31.051 8.033 0.00 0.00 +0.160 C \nBRANCH 19 20\nATOM 20 N UNL 1 16.564 30.258 7.026 0.00 0.00 -0.279 N \nATOM 21 C UNL 1 15.152 29.930 7.111 0.00 0.00 +0.128 C \nATOM 22 C UNL 1 14.897 29.080 5.870 0.00 0.00 +0.124 C \nATOM 23 N UNL 1 16.216 28.757 5.402 0.00 0.00 -0.298 N \nATOM 24 C UNL 1 17.188 29.474 6.060 0.00 0.00 +0.302 C \nATOM 25 O UNL 1 18.383 29.440 5.830 0.00 0.00 -0.253 OA\nATOM 26 H UNL 1 16.444 28.132 4.636 0.00 0.00 +0.150 HD\nENDBRANCH 19 20\nENDBRANCH 18 19\nENDBRANCH 13 18\nENDBRANCH 1 16\nBRANCH 3 27\nATOM 27 C UNL 1 20.119 33.345 13.720 0.00 0.00 +0.047 C \nATOM 28 C UNL 1 20.609 32.650 14.835 0.00 0.00 +0.029 C \nATOM 29 C UNL 1 21.946 32.245 14.877 0.00 0.00 +0.040 C \nATOM 30 C UNL 1 22.787 32.530 13.810 0.00 0.00 +0.124 C \nATOM 31 C UNL 1 22.317 33.208 12.693 0.00 0.00 +0.040 C \nATOM 32 C UNL 1 20.980 33.612 12.642 0.00 0.00 +0.029 C \nATOM 33 F UNL 1 24.066 32.138 13.852 0.00 0.00 -0.205 F \nENDBRANCH 3 27\nTORSDOF 5\n",
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@@ -39184,7 +41954,7 @@
"kwargs": {
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@@ -39199,7 +41969,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.297 36.099 16.829 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 17.227 35.753 15.333 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 16.678 34.396 15.131 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 15.369 34.158 15.781 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 15.426 34.498 17.278 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 15.947 35.901 17.476 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 16.746 33.926 13.853 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 15.758 33.936 12.990 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 16.255 33.366 11.845 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 15.622 33.144 10.614 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 16.346 32.530 9.585 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 17.673 32.145 9.780 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 18.320 32.357 11.002 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 17.579 32.975 12.017 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 17.871 33.335 13.318 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 16.005 36.112 18.480 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 15.278 36.567 17.068 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 19.093 32.984 14.026 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 20.277 33.871 13.707 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 21.228 33.549 12.725 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 22.326 34.382 12.496 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 22.502 35.535 13.257 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 21.582 35.855 14.251 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 20.481 35.028 14.479 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: N_3 and C_27\nREMARK 3 A between atoms: N_13 and C_18\nREMARK 4 A between atoms: C_18 and C_19\nREMARK 5 A between atoms: C_19 and N_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.355 33.570 13.352 0.00 0.00 -0.018 C \nATOM 2 C UNL 1 18.687 34.237 14.361 0.00 0.00 +0.096 C \nATOM 3 N UNL 1 17.324 34.255 14.106 0.00 0.00 -0.316 N \nATOM 4 C UNL 1 17.112 33.676 12.856 0.00 0.00 +0.054 C \nATOM 5 C UNL 1 18.352 33.211 12.391 0.00 0.00 +0.005 C \nATOM 6 C UNL 1 18.405 32.542 11.147 0.00 0.00 +0.030 C \nATOM 7 C UNL 1 17.244 32.392 10.387 0.00 0.00 +0.042 C \nATOM 8 C UNL 1 16.035 32.906 10.829 0.00 0.00 +0.022 C \nATOM 9 C UNL 1 15.953 33.562 12.060 0.00 0.00 +0.028 C \nATOM 10 CL UNL 1 17.326 31.585 8.869 0.00 0.00 -0.084 Cl\nENDROOT\nBRANCH 1 16\nATOM 11 C UNL 1 21.353 32.376 14.374 0.00 0.00 +0.059 C \nATOM 12 C UNL 1 21.581 33.128 15.673 0.00 0.00 +0.132 C \nATOM 13 N UNL 1 22.492 34.324 15.449 0.00 0.00 +0.236 N \nATOM 14 C UNL 1 21.977 35.254 14.376 0.00 0.00 +0.132 C \nATOM 15 C UNL 1 21.714 34.506 13.080 0.00 0.00 +0.059 C \nATOM 16 C UNL 1 20.834 33.264 13.242 0.00 0.00 +0.031 C \nATOM 17 H UNL 1 23.406 33.955 15.154 0.00 0.00 +0.203 HD\nBRANCH 13 18\nATOM 18 C UNL 1 22.697 35.037 16.789 0.00 0.00 +0.150 C \nBRANCH 18 19\nATOM 19 C UNL 1 21.969 34.357 17.966 0.00 0.00 +0.160 C \nBRANCH 19 20\nATOM 20 N UNL 1 20.950 35.189 18.585 0.00 0.00 -0.279 N \nATOM 21 C UNL 1 21.269 36.288 19.479 0.00 0.00 +0.128 C \nATOM 22 C UNL 1 19.905 36.836 19.888 0.00 0.00 +0.124 C \nATOM 23 N UNL 1 18.986 35.820 19.454 0.00 0.00 -0.298 N \nATOM 24 C UNL 1 19.597 34.875 18.663 0.00 0.00 +0.302 C \nATOM 25 O UNL 1 19.048 33.935 18.117 0.00 0.00 -0.253 OA\nATOM 26 H UNL 1 17.988 35.800 19.630 0.00 0.00 +0.150 HD\nENDBRANCH 19 20\nENDBRANCH 18 19\nENDBRANCH 13 18\nENDBRANCH 1 16\nBRANCH 3 27\nATOM 27 C UNL 1 16.352 34.766 15.021 0.00 0.00 +0.047 C \nATOM 28 C UNL 1 16.739 35.571 16.102 0.00 0.00 +0.029 C \nATOM 29 C UNL 1 15.774 36.088 16.972 0.00 0.00 +0.040 C \nATOM 30 C UNL 1 14.431 35.805 16.760 0.00 0.00 +0.124 C \nATOM 31 C UNL 1 14.029 35.020 15.688 0.00 0.00 +0.040 C \nATOM 32 C UNL 1 14.987 34.502 14.812 0.00 0.00 +0.029 C \nATOM 33 F UNL 1 13.510 36.305 17.593 0.00 0.00 -0.205 F \nENDBRANCH 3 27\nTORSDOF 5\n",
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@@ -39235,7 +42005,7 @@
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 20.228 33.394 13.367 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 19.740 34.263 13.072 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 21.371 32.953 17.035 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 21.045 32.519 15.604 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 20.637 33.750 14.789 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 19.563 34.573 15.468 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 19.377 34.519 16.849 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 20.148 33.566 17.725 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 18.382 35.332 17.393 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 17.631 36.161 16.564 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 17.887 36.142 15.203 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 18.833 35.362 14.629 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 21.368 33.176 12.408 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 22.615 33.922 12.905 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 23.809 32.983 13.126 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 23.900 31.933 12.018 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 23.828 30.573 12.604 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 24.598 30.379 13.259 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 23.885 29.854 11.867 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 22.943 30.405 13.103 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 19.094 32.395 13.244 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 18.312 32.596 11.986 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 17.497 33.607 11.733 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 17.011 33.377 10.465 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 16.119 34.134 9.692 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 15.785 33.674 8.412 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 16.325 32.486 7.915 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 17.215 31.718 8.672 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 17.534 32.200 9.943 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 18.354 31.716 10.930 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.885 30.857 10.868 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.853 33.627 11.239 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 18.087 32.828 11.684 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 18.909 33.621 12.693 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 18.094 33.894 13.976 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 18.862 34.957 14.845 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.992 35.467 15.935 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 18.252 36.090 17.131 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 17.039 36.346 17.741 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 16.006 35.892 16.950 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.620 35.912 17.118 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 13.847 35.348 16.090 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 14.432 34.796 14.942 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 15.823 34.793 14.784 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 16.589 35.348 15.819 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 16.626 34.269 13.654 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 16.093 34.175 12.421 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 20.220 32.935 12.958 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 19.108 34.537 12.270 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 16.920 36.802 18.636 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 16.411 32.529 9.090 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 15.980 32.703 10.386 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 14.997 32.135 10.851 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 17.277 32.950 8.775 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.695 31.674 8.137 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 14.973 34.045 7.449 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 14.998 32.567 7.094 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 16.661 30.644 7.522 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 16.097 29.341 7.471 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 15.972 29.033 8.385 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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@@ -39256,7 +42026,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-9.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39271,7 +42041,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.212 33.309 11.516 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 18.526 33.004 11.643 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 19.025 32.971 12.911 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 20.358 32.702 13.198 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 20.864 32.672 14.441 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 20.018 32.931 15.433 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 18.728 33.206 15.279 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 18.243 33.226 14.041 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 16.944 33.507 13.895 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 16.418 33.536 12.652 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 15.070 33.847 12.599 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 20.511 32.908 16.704 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 14.661 33.967 13.519 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 14.509 33.371 11.904 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 21.482 32.684 16.835 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 19.874 33.079 17.462 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 15.757 33.489 7.479 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.483 34.522 8.371 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.953 34.453 9.686 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.715 33.359 10.131 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 16.966 32.321 9.216 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 16.493 32.386 7.902 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 21.247 32.378 12.178 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 21.033 32.745 11.258 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 22.208 32.251 12.462 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.743 33.125 11.302 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 17.133 32.726 11.821 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 17.451 33.272 13.232 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 16.649 34.603 13.496 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 17.062 35.412 14.771 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 18.542 35.539 14.835 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 19.390 36.428 15.452 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.684 36.010 15.206 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 20.676 34.858 14.451 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 21.698 34.040 13.970 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.307 32.909 13.237 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 19.958 32.620 12.980 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 18.941 33.469 13.439 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 19.348 34.572 14.201 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 15.133 34.322 13.443 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 14.751 33.200 12.478 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 14.441 34.113 14.763 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 21.519 36.468 15.548 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 14.710 35.171 13.038 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 15.344 31.457 8.038 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 15.795 32.370 8.966 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 16.567 33.290 8.701 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 15.313 32.227 10.241 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 14.935 31.323 10.486 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 17.115 30.627 6.524 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 15.900 31.529 6.684 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 14.322 30.430 8.268 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 13.538 30.121 7.003 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
"type": "blob"
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@@ -39292,7 +42062,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.9 kcal/mol"
+ "-9.2 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39307,7 +42077,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.227 34.118 15.730 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.777 33.409 16.732 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 20.867 33.908 17.335 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 21.402 35.096 17.022 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 20.808 35.797 16.042 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 19.714 35.347 15.351 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.440 33.068 18.286 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.890 32.224 18.344 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.587 33.140 19.082 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 22.566 33.364 20.461 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 23.752 33.462 21.202 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 24.989 33.342 20.567 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 25.032 33.118 19.191 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 23.841 33.018 18.461 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 26.203 33.452 21.320 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 27.184 33.545 21.932 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 18.136 33.530 15.085 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.896 32.647 15.524 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 19.925 32.528 12.948 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 18.554 33.101 12.697 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 18.073 33.105 11.376 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 16.782 33.547 11.069 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 15.981 34.044 12.100 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 16.444 34.069 13.428 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.746 33.617 13.733 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.532 34.578 14.514 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 16.327 33.439 9.677 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 15.962 32.281 9.107 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.692 32.194 7.614 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 15.469 32.121 6.376 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: N_3 and C_27\nREMARK 3 A between atoms: N_13 and C_18\nREMARK 4 A between atoms: C_18 and C_19\nREMARK 5 A between atoms: C_19 and N_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.149 33.989 16.057 0.00 0.00 -0.018 C \nATOM 2 C UNL 1 18.429 33.392 14.843 0.00 0.00 +0.096 C \nATOM 3 N UNL 1 17.405 33.633 13.939 0.00 0.00 -0.316 N \nATOM 4 C UNL 1 16.392 34.316 14.610 0.00 0.00 +0.054 C \nATOM 5 C UNL 1 16.850 34.579 15.910 0.00 0.00 +0.005 C \nATOM 6 C UNL 1 16.016 35.303 16.792 0.00 0.00 +0.030 C \nATOM 7 C UNL 1 14.745 35.705 16.377 0.00 0.00 +0.042 C \nATOM 8 C UNL 1 14.280 35.388 15.110 0.00 0.00 +0.022 C \nATOM 9 C UNL 1 15.088 34.684 14.215 0.00 0.00 +0.028 C \nATOM 10 CL UNL 1 13.736 36.575 17.466 0.00 0.00 -0.084 Cl\nENDROOT\nBRANCH 1 16\nATOM 11 C UNL 1 19.593 35.416 17.587 0.00 0.00 +0.059 C \nATOM 12 C UNL 1 20.797 35.745 16.723 0.00 0.00 +0.132 C \nATOM 13 N UNL 1 21.856 34.661 16.841 0.00 0.00 +0.236 N \nATOM 14 C UNL 1 21.321 33.287 16.511 0.00 0.00 +0.132 C \nATOM 15 C UNL 1 20.095 32.960 17.348 0.00 0.00 +0.059 C \nATOM 16 C UNL 1 19.004 34.033 17.305 0.00 0.00 +0.031 C \nATOM 17 H UNL 1 22.180 34.663 17.817 0.00 0.00 +0.203 HD\nBRANCH 13 18\nATOM 18 C UNL 1 23.049 35.048 15.962 0.00 0.00 +0.150 C \nBRANCH 18 19\nATOM 19 C UNL 1 22.671 35.305 14.489 0.00 0.00 +0.160 C \nBRANCH 19 20\nATOM 20 N UNL 1 23.143 34.280 13.573 0.00 0.00 -0.279 N \nATOM 21 C UNL 1 24.039 33.214 13.983 0.00 0.00 +0.128 C \nATOM 22 C UNL 1 24.270 32.416 12.704 0.00 0.00 +0.124 C \nATOM 23 N UNL 1 23.757 33.273 11.671 0.00 0.00 -0.298 N \nATOM 24 C UNL 1 23.068 34.347 12.186 0.00 0.00 +0.302 C \nATOM 25 O UNL 1 22.485 35.200 11.541 0.00 0.00 -0.253 OA\nATOM 26 H UNL 1 23.814 33.108 10.672 0.00 0.00 +0.150 HD\nENDBRANCH 19 20\nENDBRANCH 18 19\nENDBRANCH 13 18\nENDBRANCH 1 16\nBRANCH 3 27\nATOM 27 C UNL 1 17.453 33.249 12.564 0.00 0.00 +0.047 C \nATOM 28 C UNL 1 18.250 32.173 12.147 0.00 0.00 +0.029 C \nATOM 29 C UNL 1 18.264 31.789 10.803 0.00 0.00 +0.040 C \nATOM 30 C UNL 1 17.484 32.476 9.881 0.00 0.00 +0.124 C \nATOM 31 C UNL 1 16.680 33.536 10.277 0.00 0.00 +0.040 C \nATOM 32 C UNL 1 16.657 33.922 11.621 0.00 0.00 +0.029 C \nATOM 33 F UNL 1 17.498 32.104 8.595 0.00 0.00 -0.205 F \nENDBRANCH 3 27\nTORSDOF 5\n",
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@@ -39328,7 +42098,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.9 kcal/mol"
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"sele": "@0",
@@ -39343,7 +42113,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.262 33.314 17.138 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 19.456 32.868 15.908 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 19.823 33.667 14.719 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 21.272 33.684 14.413 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 22.090 34.131 15.635 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 21.741 33.284 16.835 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 19.037 33.472 13.623 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 19.335 32.701 12.605 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 18.280 32.806 11.734 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 18.082 32.179 10.496 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 16.911 32.456 9.779 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 15.959 33.342 10.286 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 16.141 33.978 11.518 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 17.317 33.684 12.220 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 17.828 34.108 13.431 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 22.273 33.604 17.653 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 22.027 32.312 16.653 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 17.260 35.168 14.251 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 16.107 34.730 15.127 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 14.769 34.761 14.699 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 13.736 34.384 15.561 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 14.021 33.990 16.866 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 15.338 33.978 17.313 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 16.374 34.349 16.454 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.429 36.633 15.762 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 20.411 36.390 17.279 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 19.066 36.792 17.873 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.925 35.930 17.292 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 16.548 36.576 17.697 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 15.437 35.961 16.929 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 14.081 35.886 17.134 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.536 35.190 16.073 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.527 34.816 15.192 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.492 34.108 13.989 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.719 33.901 13.338 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 16.925 34.386 13.861 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.942 35.103 15.063 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 15.715 35.297 15.713 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 18.100 35.699 15.770 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 19.212 36.046 15.093 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 19.126 36.761 19.376 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 18.883 37.761 17.582 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 12.553 34.983 15.954 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 21.550 35.126 14.184 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 21.723 36.031 15.208 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 22.824 36.370 15.628 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 20.627 34.942 13.811 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 22.683 34.456 13.535 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 21.688 32.526 14.914 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 22.530 32.934 13.717 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 22.783 34.895 12.062 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 22.759 36.308 11.920 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 21.883 36.623 12.203 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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@@ -39364,7 +42134,7 @@
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@@ -39379,7 +42149,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.435 33.754 16.747 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 15.938 34.059 16.642 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 16.259 34.684 15.341 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 15.460 35.890 15.024 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 13.955 35.598 15.124 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 13.627 34.998 16.470 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 17.589 34.826 15.077 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 18.278 35.930 15.236 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 19.559 35.631 14.847 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 20.698 36.448 14.830 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 21.908 35.909 14.374 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 21.980 34.584 13.943 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 20.853 33.755 13.952 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 19.654 34.313 14.414 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 18.374 33.817 14.561 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 12.624 34.784 16.521 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 13.821 35.695 17.203 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 17.923 32.517 14.084 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 17.395 32.520 12.667 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 16.036 32.698 12.360 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 15.591 32.652 11.036 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 16.492 32.409 10.003 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 17.838 32.205 10.291 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 18.287 32.256 11.612 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.077 32.743 11.774 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.439 33.874 12.593 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.756 33.712 14.075 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.276 33.810 14.330 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 17.572 33.340 15.802 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 19.029 33.137 16.001 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.828 33.093 17.118 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 21.124 32.866 16.696 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 21.164 32.767 15.322 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 22.216 32.547 14.430 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.892 32.505 13.064 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 20.576 32.668 12.610 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 19.532 32.877 13.518 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.863 32.929 14.880 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 18.088 33.064 13.242 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.534 32.564 12.120 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 14.954 34.687 14.894 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 15.472 32.762 14.345 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 21.929 32.782 17.302 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.759 31.981 9.464 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 15.887 33.074 10.292 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 15.814 34.232 9.894 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 15.738 31.045 9.849 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.566 32.117 8.016 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 17.355 30.727 6.798 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 16.942 32.091 7.326 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 14.600 31.029 7.507 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 13.857 30.435 8.562 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 14.480 29.952 9.133 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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@@ -39400,7 +42170,7 @@
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@@ -39415,7 +42185,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.437 33.595 14.890 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 19.238 33.707 15.904 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 16.403 33.478 12.496 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 17.833 33.801 12.936 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 18.057 33.254 14.349 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 16.978 33.681 15.321 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 15.708 34.049 14.873 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 15.373 34.151 13.408 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 14.767 34.402 15.841 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 15.110 34.367 17.190 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 16.397 33.992 17.536 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 17.347 33.653 16.633 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 20.466 32.503 14.756 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 21.417 32.825 13.594 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 22.873 32.456 13.910 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 23.618 32.013 12.651 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 23.714 30.535 12.614 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 24.232 30.148 13.415 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 24.212 30.221 11.768 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 22.790 30.079 12.592 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 19.943 34.987 14.562 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 20.071 35.833 15.788 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 21.205 36.208 16.357 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 20.835 36.973 17.441 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 21.630 37.632 18.390 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 20.996 38.357 19.407 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 19.603 38.421 19.479 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 18.795 37.769 18.541 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 19.452 37.056 17.537 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 18.985 36.319 16.479 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.006 36.170 16.266 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.486 32.683 10.674 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 17.482 32.566 11.632 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 18.769 31.814 11.516 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 19.906 32.530 12.238 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 19.828 32.418 13.681 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 18.888 32.919 14.542 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 19.107 32.842 15.750 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 17.628 33.541 14.068 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 17.073 33.308 12.787 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 15.839 33.886 12.476 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 15.135 34.699 13.369 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 15.706 34.915 14.619 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 16.920 34.350 14.976 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 15.057 35.685 15.503 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 15.507 33.487 11.204 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 20.626 32.031 14.173 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 14.656 33.753 10.729 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 16.161 30.958 6.782 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 15.011 31.270 7.522 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 15.120 31.842 8.792 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 16.377 32.114 9.340 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 17.525 31.815 8.603 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 17.420 31.245 7.330 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 16.045 30.366 5.406 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 16.111 27.934 5.985 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 15.319 29.065 5.449 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 14.465 29.189 6.009 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 14.992 28.843 4.499 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
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@@ -39451,7 +42221,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.318 33.987 15.501 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 17.443 33.386 14.830 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 17.598 33.236 13.474 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 18.827 32.597 13.349 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 19.368 32.250 12.162 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 18.610 32.576 11.088 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 17.364 33.218 11.105 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 16.831 33.567 12.353 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 19.402 32.373 14.568 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 18.555 32.854 15.442 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 18.720 32.847 16.769 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 19.570 32.435 17.141 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 18.072 33.217 17.450 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.639 33.510 9.862 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 15.857 34.671 9.739 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 15.168 34.952 8.555 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.249 34.073 7.477 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 16.017 32.917 7.580 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 16.708 32.639 8.762 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.701 32.789 12.182 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 14.901 33.908 12.875 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.049 33.804 14.383 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 16.502 33.995 14.823 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 16.901 35.500 15.024 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 18.354 35.569 15.359 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.133 36.499 16.005 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 20.427 36.013 16.033 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 20.491 34.776 15.421 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 21.535 33.873 15.192 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.224 32.685 14.506 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 19.927 32.403 14.061 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 18.894 33.311 14.301 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.205 34.498 14.989 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.475 33.239 13.893 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.107 32.679 12.726 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 21.555 36.705 16.615 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 14.049 34.635 15.126 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 14.838 32.828 14.626 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.661 32.002 9.861 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 15.735 33.103 10.684 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 15.807 34.253 10.262 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 15.542 31.074 10.249 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.725 32.128 8.400 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 17.369 30.754 6.977 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 17.179 31.917 7.939 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 14.728 31.169 7.720 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 13.904 30.503 8.669 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 14.473 29.905 9.185 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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- "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_15\nREMARK 3 A between atoms: N_8 and C_20\nREMARK 4 A between atoms: C_23 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.710 33.783 15.227 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.449 33.156 16.160 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 20.238 33.902 16.950 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 20.296 35.238 16.880 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 19.524 35.839 15.961 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 18.711 35.154 15.098 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 21.032 33.174 17.832 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.833 32.193 17.708 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.024 33.515 18.757 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 21.814 34.361 19.851 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 22.855 34.691 20.727 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 24.137 34.178 20.520 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 24.367 33.330 19.438 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 23.319 33.004 18.569 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 25.207 34.524 21.409 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 26.074 34.808 22.127 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.941 32.968 14.394 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 18.037 31.989 14.632 0.00 0.00 +0.154 HD\nBRANCH 17 23\nATOM 19 C UNL 1 15.935 33.826 9.092 0.00 0.00 +0.044 C \nATOM 20 C UNL 1 16.454 33.583 10.479 0.00 0.00 -0.050 C \nATOM 21 C UNL 1 15.661 33.850 11.597 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 16.153 33.653 12.897 0.00 0.00 -0.029 C \nATOM 23 C UNL 1 17.482 33.217 13.086 0.00 0.00 +0.038 C \nATOM 24 C UNL 1 18.273 32.902 11.959 0.00 0.00 -0.029 C \nATOM 25 C UNL 1 17.759 33.120 10.669 0.00 0.00 +0.008 C \nATOM 26 C UNL 1 19.670 32.356 12.086 0.00 0.00 +0.045 C \nATOM 27 C UNL 1 15.262 33.949 14.073 0.00 0.00 +0.045 C \nENDBRANCH 17 23\nENDBRANCH 1 17\nTORSDOF 4\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.168 33.431 12.866 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 18.324 33.362 13.631 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 19.711 33.076 13.155 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 20.751 33.876 13.935 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 20.974 33.370 15.275 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 20.116 33.330 16.343 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 20.570 33.005 17.440 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 18.677 33.660 16.218 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 17.967 33.621 14.994 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 16.592 33.875 15.007 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 15.889 34.183 16.176 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 16.612 34.219 17.364 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 17.972 33.959 17.400 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 15.969 34.505 18.504 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 16.138 33.747 13.717 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 21.919 33.117 15.538 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 15.175 33.868 13.439 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 16.599 32.859 8.674 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 17.325 31.925 9.429 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 17.503 32.111 10.803 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 16.957 33.228 11.442 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 16.223 34.154 10.697 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 16.041 33.971 9.322 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 16.386 32.647 7.201 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 14.520 30.990 7.369 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 15.910 31.262 6.930 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 15.998 31.080 5.922 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 16.554 30.601 7.384 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
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@@ -39508,7 +42278,7 @@
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@@ -39523,7 +42293,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.004 32.532 11.333 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.143 31.887 10.917 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 19.001 31.729 11.891 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.392 32.291 12.996 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.128 32.811 12.679 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.340 33.442 13.688 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 15.063 34.019 13.496 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 14.383 34.610 14.562 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.966 34.633 15.821 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 16.229 34.068 16.011 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.935 33.473 14.976 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 18.140 32.969 15.269 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.888 32.380 14.313 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 20.121 31.886 14.673 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 20.411 31.988 15.632 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.690 31.445 13.966 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 15.899 32.774 10.425 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.804 33.134 7.942 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.230 33.746 9.278 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 15.573 35.116 9.449 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: N_4 and C_7\nREMARK 3 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.057 32.783 9.806 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 15.935 32.494 10.485 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 15.986 32.392 11.841 0.00 0.00 +0.047 C \nATOM 4 C UNL 1 17.164 32.565 12.581 0.00 0.00 -0.018 C \nATOM 5 C UNL 1 17.170 32.462 14.092 0.00 0.00 +0.037 C \nATOM 6 C UNL 1 16.768 33.747 14.818 0.00 0.00 +0.005 C \nATOM 7 C UNL 1 15.262 34.033 14.882 0.00 0.00 +0.000 C \nATOM 8 C UNL 1 14.652 34.520 13.567 0.00 0.00 +0.000 C \nATOM 9 C UNL 1 13.894 33.450 12.774 0.00 0.00 +0.006 C \nATOM 10 C UNL 1 14.652 32.152 12.500 0.00 0.00 +0.056 C \nATOM 11 C UNL 1 18.336 32.870 11.860 0.00 0.00 -0.010 C \nATOM 12 C UNL 1 18.264 32.970 10.461 0.00 0.00 +0.052 C \nENDROOT\nBRANCH 1 16\nATOM 13 N UNL 1 15.462 30.927 6.914 0.00 0.00 +0.237 N \nATOM 14 C UNL 1 14.746 32.024 7.719 0.00 0.00 +0.150 C \nATOM 15 C UNL 1 15.671 33.252 7.876 0.00 0.00 +0.157 C \nATOM 16 N UNL 1 16.988 32.877 8.415 0.00 0.00 -0.305 N \nATOM 17 C UNL 1 17.696 31.815 7.687 0.00 0.00 +0.157 C \nATOM 18 C UNL 1 16.801 30.558 7.563 0.00 0.00 +0.150 C \nATOM 19 H UNL 1 15.703 31.367 6.017 0.00 0.00 +0.203 HD\nBRANCH 13 21\nATOM 20 C UNL 1 15.206 28.829 5.529 0.00 0.00 +0.060 C \nATOM 21 C UNL 1 14.591 29.749 6.568 0.00 0.00 +0.128 C \nENDBRANCH 13 21\nENDBRANCH 1 16\nBRANCH 11 22\nATOM 22 C UNL 1 19.635 33.114 12.502 0.00 0.00 -0.017 C \nATOM 23 C UNL 1 20.712 32.232 12.300 0.00 0.00 +0.011 C \nATOM 24 C UNL 1 21.948 32.472 12.904 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 22.113 33.594 13.707 0.00 0.00 +0.123 C \nATOM 26 C UNL 1 21.065 34.482 13.918 0.00 0.00 +0.039 C \nATOM 27 C UNL 1 19.829 34.243 13.315 0.00 0.00 +0.011 C \nATOM 28 F UNL 1 23.299 33.823 14.284 0.00 0.00 -0.205 F \nENDBRANCH 11 22\nTORSDOF 3\n",
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@@ -39544,7 +42314,7 @@
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@@ -39559,7 +42329,7 @@
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.634 32.385 9.084 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 16.305 33.350 8.199 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 15.773 34.505 8.655 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 15.508 34.849 9.920 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 15.837 33.882 10.792 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 16.389 32.670 10.416 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 16.560 31.994 11.592 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 16.117 32.800 12.604 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 15.674 33.950 12.151 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 16.941 31.065 11.694 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 17.177 31.196 8.668 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 17.460 30.484 9.320 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 17.377 30.956 7.257 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 14.317 28.232 5.899 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 15.661 27.929 5.686 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 16.653 28.811 6.120 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 16.308 30.007 6.763 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 14.952 30.296 6.980 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 13.961 29.413 6.547 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.485 33.732 12.812 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 17.638 33.002 11.629 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 18.875 32.426 11.354 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 19.953 32.510 12.171 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 19.789 33.202 13.311 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 18.599 33.816 13.666 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 16.436 32.785 10.352 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 15.199 32.455 11.029 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 16.562 33.955 9.509 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 16.918 31.442 9.504 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 16.382 31.109 8.272 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 15.341 31.570 7.835 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 17.160 30.208 7.603 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 17.811 31.064 9.787 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 18.057 29.970 7.993 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 16.844 29.762 6.257 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 18.121 29.594 5.437 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 16.062 28.453 6.311 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 16.294 34.339 13.269 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 15.938 35.038 12.614 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 17.320 36.645 17.518 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 16.377 35.843 16.671 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.755 35.411 15.392 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 15.896 34.634 14.597 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 14.641 34.296 15.108 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 14.260 34.706 16.388 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 15.125 35.471 17.168 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.311 31.601 7.740 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 14.997 31.347 7.917 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 14.452 30.265 7.320 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 15.053 29.362 6.538 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 16.359 29.625 6.367 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 17.002 30.707 6.941 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 18.297 30.601 6.513 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 18.383 29.490 5.720 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 17.226 28.877 5.613 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 19.052 31.231 6.739 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 16.909 32.688 8.325 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 17.895 32.867 8.230 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.117 33.597 9.123 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 17.485 33.384 13.211 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 16.202 33.852 12.931 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 15.758 33.926 11.609 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 16.599 33.541 10.556 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 17.885 33.064 10.850 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 18.326 32.988 12.173 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: C_18 and C_24\nREMARK 3 A between atoms: C_24 and N_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.616 33.019 11.775 0.00 0.00 +0.051 A \nATOM 2 C UNL 1 18.368 33.502 13.052 0.00 0.00 -0.012 A \nATOM 3 C UNL 1 17.064 33.977 13.605 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.909 33.610 15.078 0.00 0.00 +0.109 C \nATOM 5 N UNL 1 17.722 34.426 15.959 0.00 0.00 -0.311 N \nATOM 6 C UNL 1 19.085 34.503 16.060 0.00 0.00 +0.245 C \nATOM 7 O UNL 1 19.563 35.145 16.995 0.00 0.00 -0.270 OA\nATOM 8 C UNL 1 19.992 33.847 15.089 0.00 0.00 +0.049 C \nATOM 9 C UNL 1 19.600 33.467 13.783 0.00 0.00 +0.016 A \nATOM 10 C UNL 1 20.561 32.926 12.924 0.00 0.00 +0.051 A \nATOM 11 C UNL 1 21.892 32.728 13.304 0.00 0.00 +0.064 C \nATOM 12 C UNL 1 22.249 33.105 14.595 0.00 0.00 +0.126 C \nATOM 13 C UNL 1 21.334 33.659 15.475 0.00 0.00 +0.052 C \nATOM 14 F UNL 1 23.518 32.934 14.991 0.00 0.00 -0.205 F \nATOM 15 N UNL 1 19.944 32.674 11.723 0.00 0.00 -0.354 N \nATOM 16 H UNL 1 17.256 34.930 16.705 0.00 0.00 +0.149 HD\nATOM 17 H UNL 1 20.411 32.288 10.915 0.00 0.00 +0.166 HD\nENDROOT\nBRANCH 1 21\nATOM 18 C UNL 1 16.072 32.580 8.375 0.00 0.00 -0.003 C \nATOM 19 C UNL 1 16.930 31.540 8.763 0.00 0.00 +0.009 C \nATOM 20 C UNL 1 17.757 31.684 9.880 0.00 0.00 +0.010 C \nATOM 21 C UNL 1 17.734 32.864 10.629 0.00 0.00 -0.001 C \nATOM 22 C UNL 1 16.873 33.898 10.254 0.00 0.00 +0.010 C \nATOM 23 C UNL 1 16.043 33.757 9.138 0.00 0.00 +0.009 C \nBRANCH 18 24\nATOM 24 C UNL 1 15.165 32.417 7.188 0.00 0.00 +0.165 C \nBRANCH 24 26\nATOM 25 C UNL 1 13.826 30.305 7.188 0.00 0.00 +0.189 C \nATOM 26 N UNL 1 15.078 30.986 6.781 0.00 0.00 +0.228 N \nATOM 27 H UNL 1 15.189 30.931 5.760 0.00 0.00 +0.201 HD\nATOM 28 H UNL 1 15.888 30.488 7.171 0.00 0.00 +0.201 HD\nENDBRANCH 24 26\nENDBRANCH 18 24\nENDBRANCH 1 21\nTORSDOF 3\n",
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@@ -39616,7 +42386,7 @@
"kwargs": {
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@@ -39631,7 +42401,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.861 32.596 9.159 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 15.911 33.554 9.103 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 15.704 34.337 10.184 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 16.335 34.300 11.364 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 17.276 33.343 11.409 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 17.557 32.497 10.350 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 18.558 31.690 10.815 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 18.835 32.069 12.101 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 18.075 33.067 12.488 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 19.009 30.947 10.304 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 17.106 31.776 8.086 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 17.835 31.084 8.103 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.317 31.918 6.883 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 13.848 28.418 6.345 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 13.496 29.379 7.292 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 14.295 30.509 7.472 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 15.459 30.685 6.711 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 15.798 29.715 5.755 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 14.997 28.587 5.574 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.502 33.792 12.141 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 17.564 33.318 13.144 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 17.223 33.651 14.615 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 16.307 34.932 14.688 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.093 35.544 16.112 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 17.396 35.655 16.818 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 17.850 36.442 17.850 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 19.149 36.061 18.127 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 19.530 35.032 17.293 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 20.706 34.289 17.191 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 20.729 33.279 16.216 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 19.635 33.035 15.372 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 18.471 33.810 15.462 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 18.452 34.790 16.465 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 14.975 34.665 13.955 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 15.104 33.698 12.780 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 13.803 34.268 14.812 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 19.733 36.461 18.850 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 14.712 35.566 13.526 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.437 32.884 8.568 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 16.273 33.652 9.700 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 15.828 34.799 9.690 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 16.615 33.061 10.888 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 17.234 32.265 10.839 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 14.697 33.368 6.879 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 16.159 33.511 7.272 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 16.833 31.472 8.536 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 17.550 31.116 7.244 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
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@@ -39652,7 +42422,7 @@
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@@ -39667,7 +42437,7 @@
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- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.016 34.649 14.184 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 16.839 34.789 12.858 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 16.693 33.677 12.120 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 16.667 32.445 12.643 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 16.809 32.340 13.974 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 16.999 33.418 14.798 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 16.622 33.899 10.747 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 16.683 34.892 10.576 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.547 33.062 9.629 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 17.346 31.930 9.448 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 17.250 31.149 8.289 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.349 31.494 7.281 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 15.542 32.620 7.442 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 15.643 33.392 8.605 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 16.257 30.702 6.090 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 16.184 30.057 5.128 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.233 35.826 14.905 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.173 36.634 14.295 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 15.958 36.246 17.545 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 17.449 36.188 17.330 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 18.281 36.279 18.460 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 19.670 36.156 18.356 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 20.236 35.993 17.089 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 19.428 35.917 15.940 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 18.026 36.037 16.051 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 20.078 35.701 14.598 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 20.462 36.179 19.593 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 21.800 36.098 19.614 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 22.553 35.924 20.924 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 23.178 35.780 22.008 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_4 and N_7\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.772 33.584 11.995 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 17.634 32.479 12.040 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 17.884 31.687 10.979 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 17.260 31.953 9.815 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 16.376 33.018 9.695 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 16.127 33.841 10.795 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 18.293 32.127 13.218 0.00 0.00 -0.342 N \nATOM 8 H UNL 1 17.693 32.024 14.025 0.00 0.00 +0.144 HD\nATOM 9 H UNL 1 18.905 31.336 13.043 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 12\nATOM 10 C UNL 1 15.534 34.542 13.939 0.00 0.00 +0.405 C \nATOM 11 O UNL 1 14.442 34.009 13.823 0.00 0.00 -0.226 OA\nATOM 12 N UNL 1 16.633 34.375 13.150 0.00 0.00 -0.248 N \nATOM 13 H UNL 1 17.444 34.913 13.425 0.00 0.00 +0.158 HD\nBRANCH 10 14\nATOM 14 O UNL 1 15.854 35.416 14.931 0.00 0.00 -0.450 OA\nBRANCH 14 16\nATOM 15 C UNL 1 14.502 35.887 16.844 0.00 0.00 +0.048 C \nATOM 16 C UNL 1 15.537 34.952 16.249 0.00 0.00 +0.230 C \nENDBRANCH 14 16\nENDBRANCH 10 14\nENDBRANCH 1 12\nBRANCH 4 17\nATOM 17 N UNL 1 17.552 31.091 8.796 0.00 0.00 -0.325 N \nATOM 18 H UNL 1 18.208 30.365 9.054 0.00 0.00 +0.148 HD\nBRANCH 17 19\nATOM 19 C UNL 1 17.249 31.311 7.406 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 16.196 30.327 6.949 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 14.838 30.552 7.231 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 13.869 29.638 6.814 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.255 28.495 6.124 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 15.594 28.248 5.842 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 16.565 29.162 6.254 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.324 27.619 5.726 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 17 19\nENDBRANCH 4 17\nTORSDOF 6\n",
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@@ -39688,7 +42458,7 @@
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@@ -39703,7 +42473,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_15 and C_18\nREMARK 2 A between atoms: C_18 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 22.790 32.916 15.381 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 21.399 32.590 14.816 0.00 0.00 +0.159 C \nATOM 3 N UNL 1 21.119 33.394 13.607 0.00 0.00 -0.291 N \nATOM 4 C UNL 1 22.148 33.290 12.547 0.00 0.00 +0.159 C \nATOM 5 C UNL 1 23.544 33.615 13.099 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 23.841 32.761 14.308 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 19.842 33.312 13.138 0.00 0.00 +0.200 A \nATOM 8 N UNL 1 19.449 32.555 12.142 0.00 0.00 -0.214 NA\nATOM 9 C UNL 1 18.104 32.787 12.003 0.00 0.00 +0.091 A \nATOM 10 C UNL 1 17.193 32.226 11.097 0.00 0.00 +0.030 C \nATOM 11 C UNL 1 15.855 32.636 11.146 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 15.434 33.586 12.078 0.00 0.00 +0.002 C \nATOM 13 C UNL 1 16.330 34.157 12.988 0.00 0.00 +0.028 C \nATOM 14 C UNL 1 17.663 33.731 12.923 0.00 0.00 +0.070 A \nATOM 15 N UNL 1 18.798 34.063 13.636 0.00 0.00 -0.307 N \nATOM 16 H UNL 1 24.766 33.001 14.685 0.00 0.00 +0.201 HD\nATOM 17 H UNL 1 23.882 31.774 14.018 0.00 0.00 +0.201 HD\nENDROOT\nBRANCH 15 18\nATOM 18 C UNL 1 18.885 35.141 14.611 0.00 0.00 +0.160 C \nBRANCH 18 19\nATOM 19 C UNL 1 17.987 34.967 15.816 0.00 0.00 -0.028 C \nATOM 20 C UNL 1 17.906 33.766 16.540 0.00 0.00 +0.005 C \nATOM 21 C UNL 1 17.030 33.643 17.621 0.00 0.00 +0.000 C \nATOM 22 C UNL 1 16.209 34.708 17.983 0.00 0.00 +0.000 C \nATOM 23 C UNL 1 16.258 35.896 17.260 0.00 0.00 +0.000 C \nATOM 24 C UNL 1 17.136 36.025 16.183 0.00 0.00 +0.005 C \nENDBRANCH 18 19\nENDBRANCH 15 18\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 23.113 35.384 19.538 0.00 0.00 +0.237 N \nATOM 2 C UNL 1 23.368 35.407 18.023 0.00 0.00 +0.150 C \nATOM 3 C UNL 1 22.431 36.433 17.345 0.00 0.00 +0.157 C \nATOM 4 N UNL 1 21.024 36.210 17.711 0.00 0.00 -0.305 N \nATOM 5 C UNL 1 20.740 36.159 19.152 0.00 0.00 +0.157 C \nATOM 6 C UNL 1 21.636 35.100 19.840 0.00 0.00 +0.150 C \nATOM 7 C UNL 1 20.353 35.254 16.946 0.00 0.00 +0.122 C \nATOM 8 N UNL 1 21.071 34.276 16.371 0.00 0.00 -0.237 NA\nATOM 9 C UNL 1 20.432 33.332 15.627 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 19.045 33.318 15.431 0.00 0.00 -0.018 C \nATOM 11 C UNL 1 18.378 32.258 14.577 0.00 0.00 +0.037 C \nATOM 12 C UNL 1 18.381 32.556 13.077 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.696 32.267 12.343 0.00 0.00 +0.000 C \nATOM 14 C UNL 1 20.807 33.284 12.603 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 21.869 32.835 13.613 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 21.348 32.338 14.959 0.00 0.00 +0.056 C \nATOM 17 C UNL 1 18.300 34.350 16.036 0.00 0.00 -0.010 C \nATOM 18 C UNL 1 18.976 35.313 16.802 0.00 0.00 +0.052 C \nATOM 19 H UNL 1 23.277 36.349 19.853 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 17 20\nATOM 20 C UNL 1 16.844 34.484 15.889 0.00 0.00 -0.017 C \nATOM 21 C UNL 1 16.290 35.064 14.734 0.00 0.00 +0.011 C \nATOM 22 C UNL 1 14.906 35.181 14.593 0.00 0.00 +0.039 C \nATOM 23 C UNL 1 14.071 34.714 15.602 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 14.595 34.133 16.750 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 15.979 34.017 16.893 0.00 0.00 +0.011 C \nATOM 26 F UNL 1 12.744 34.825 15.464 0.00 0.00 -0.205 F \nENDBRANCH 17 20\nBRANCH 1 28\nATOM 27 C UNL 1 23.460 33.268 20.874 0.00 0.00 +0.060 C \nATOM 28 C UNL 1 24.082 34.533 20.314 0.00 0.00 +0.128 C \nENDBRANCH 1 28\nTORSDOF 2\n",
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@@ -39724,7 +42494,7 @@
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@@ -39739,7 +42509,7 @@
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.045 33.293 17.066 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 17.696 33.755 16.861 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 17.022 33.801 15.666 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 15.781 34.330 16.005 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 14.797 34.552 15.108 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 15.116 34.215 13.837 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 16.332 33.678 13.391 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 17.332 33.457 14.348 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 15.695 34.589 17.344 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 16.855 34.237 17.838 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 17.208 34.321 19.125 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 16.527 34.688 19.783 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 18.100 34.050 19.514 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.553 33.361 11.975 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 17.460 32.359 11.593 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 17.670 32.055 10.245 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 16.978 32.752 9.257 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 16.076 33.750 9.615 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.865 34.051 10.963 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.781 33.641 12.059 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 17.930 32.846 11.987 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 18.095 32.010 10.887 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 17.218 31.922 9.858 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 16.126 32.700 9.932 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 15.871 33.557 10.991 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 19.201 32.703 13.206 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 19.481 34.056 13.640 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 18.736 31.683 14.121 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 20.539 32.148 12.397 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 21.731 32.852 12.360 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 21.834 34.033 12.648 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 22.777 32.065 11.971 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 20.529 31.158 12.196 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 22.617 31.078 11.863 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 24.142 32.560 11.928 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 24.849 32.291 13.254 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 24.897 31.909 10.773 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 16.477 34.576 13.074 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 17.210 35.278 13.187 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 16.654 34.176 17.996 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 15.857 34.259 16.728 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.498 34.331 15.483 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 15.767 34.380 14.284 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 14.373 34.357 14.354 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 13.723 34.268 15.588 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 14.461 34.214 16.768 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
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@@ -39760,7 +42530,7 @@
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"labelText": [
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+ "-8.6 kcal/mol"
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"sele": "@0",
@@ -39775,7 +42545,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.974 33.853 14.965 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 18.692 35.002 14.960 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 20.042 34.878 14.820 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 20.912 35.962 14.825 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 22.244 35.852 14.695 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 22.730 34.622 14.567 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 21.997 33.514 14.554 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 20.680 33.642 14.679 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 19.951 32.520 14.668 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 18.610 32.613 14.794 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 17.941 31.400 14.784 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 24.080 34.488 14.435 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 18.563 30.613 14.638 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 17.042 31.368 14.320 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 24.643 35.320 14.426 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 24.454 33.563 14.314 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 13.746 34.368 15.515 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 14.588 34.251 16.617 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.963 34.076 16.431 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.523 34.026 15.142 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 15.649 34.131 14.045 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 14.274 34.303 14.229 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 20.419 37.260 14.905 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 19.526 37.377 15.369 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 21.117 37.988 14.960 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.845 34.680 15.880 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 19.180 34.420 17.375 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 17.940 34.299 18.289 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 16.653 34.912 17.741 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 16.321 34.332 16.393 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 17.534 33.894 15.607 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.250 33.776 14.174 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 16.057 33.946 13.536 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 14.857 34.398 14.291 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 15.295 35.144 15.585 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 16.292 33.593 12.185 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 15.456 33.501 11.053 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 15.992 33.102 9.827 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 17.344 32.801 9.714 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 18.201 32.893 10.815 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 17.668 33.292 12.053 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 18.272 33.525 13.288 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 19.610 33.569 13.725 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 19.926 34.091 14.944 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 15.832 33.448 16.586 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 20.111 36.929 15.234 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 18.822 36.229 15.656 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 20.755 33.197 12.869 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 20.961 32.070 12.457 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 21.483 34.313 12.619 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 22.902 34.115 12.512 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 23.534 34.134 13.891 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
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@@ -39796,7 +42566,7 @@
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"backgroundColor": "black",
"labelText": [
- "-7.7 kcal/mol"
+ "-8.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39811,7 +42581,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_20\nREMARK 2 A between atoms: C_4 and N_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.562 34.166 14.178 0.00 0.00 +0.111 A \nATOM 2 N UNL 1 17.598 33.751 13.410 0.00 0.00 -0.237 NA\nATOM 3 C UNL 1 17.282 33.217 12.196 0.00 0.00 +0.148 A \nATOM 4 C UNL 1 18.232 32.722 11.310 0.00 0.00 +0.149 A \nATOM 5 N UNL 1 17.934 32.189 10.115 0.00 0.00 -0.198 NA\nATOM 6 C UNL 1 16.646 32.133 9.793 0.00 0.00 +0.216 A \nATOM 7 N UNL 1 15.653 32.569 10.560 0.00 0.00 -0.193 NA\nATOM 8 C UNL 1 15.967 33.099 11.738 0.00 0.00 +0.187 A \nATOM 9 N UNL 1 14.959 33.531 12.504 0.00 0.00 -0.209 NA\nATOM 10 C UNL 1 15.242 34.075 13.707 0.00 0.00 +0.145 A \nATOM 11 N UNL 1 14.136 34.483 14.434 0.00 0.00 -0.341 N \nATOM 12 N UNL 1 16.321 31.593 8.584 0.00 0.00 -0.327 N \nATOM 13 H UNL 1 13.267 34.349 13.929 0.00 0.00 +0.144 HD\nATOM 14 H UNL 1 14.225 35.329 14.982 0.00 0.00 +0.144 HD\nATOM 15 H UNL 1 17.065 31.277 7.988 0.00 0.00 +0.145 HD\nATOM 16 H UNL 1 15.351 31.569 8.323 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 1 20\nATOM 17 C UNL 1 17.670 35.796 17.994 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 17.940 36.500 16.824 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 17.583 35.961 15.585 0.00 0.00 +0.010 C \nATOM 20 C UNL 1 16.940 34.714 15.491 0.00 0.00 +0.004 C \nATOM 21 C UNL 1 16.693 34.014 16.685 0.00 0.00 +0.010 C \nATOM 22 C UNL 1 17.052 34.551 17.925 0.00 0.00 +0.001 C \nENDBRANCH 1 20\nBRANCH 4 23\nATOM 23 N UNL 1 19.588 32.819 11.606 0.00 0.00 -0.341 N \nATOM 24 H UNL 1 19.836 32.847 12.588 0.00 0.00 +0.144 HD\nATOM 25 H UNL 1 20.211 32.387 10.939 0.00 0.00 +0.144 HD\nENDBRANCH 4 23\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.337 33.119 13.481 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.275 34.174 13.843 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 14.911 34.070 15.314 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 16.112 34.358 16.217 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 16.315 35.886 16.516 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.561 36.054 17.321 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 18.010 37.031 18.177 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 19.248 36.636 18.649 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 19.599 35.412 18.116 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 20.719 34.586 18.269 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 20.740 33.384 17.538 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 19.693 33.016 16.685 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 18.581 33.847 16.546 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 18.558 35.047 17.280 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.391 33.680 15.684 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.479 33.103 14.470 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 20.062 37.402 19.567 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 13.664 34.823 15.661 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 14.697 33.080 15.488 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.880 33.796 11.170 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 16.854 33.446 12.078 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 18.049 33.410 11.800 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 14.911 33.871 11.455 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 16.206 34.097 9.771 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 17.114 31.967 8.651 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 15.909 32.858 8.906 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 15.465 35.362 9.292 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 14.910 35.190 7.994 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 15.650 35.113 7.366 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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@@ -39832,7 +42602,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.7 kcal/mol"
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@@ -39847,7 +42617,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 19.676 33.168 13.558 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 19.143 34.060 13.573 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 22.778 32.890 15.850 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 21.554 32.393 15.077 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 20.942 33.564 14.302 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 20.698 34.779 15.171 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 21.419 34.980 16.349 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 22.392 33.959 16.878 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 21.147 36.141 17.074 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 20.198 37.046 16.607 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 19.531 36.757 15.429 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 19.751 35.638 14.699 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 19.872 32.790 12.113 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 18.741 31.854 11.663 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 17.916 32.446 10.511 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 16.429 32.495 10.864 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 16.052 33.869 11.272 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 16.563 34.193 12.104 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 15.050 33.918 11.509 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 16.205 34.559 10.523 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 18.721 32.272 14.324 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 17.583 33.047 14.909 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 16.457 33.358 14.290 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 15.714 34.061 15.212 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 14.435 34.624 15.097 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 13.897 35.295 16.202 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 14.618 35.407 17.393 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 15.896 34.854 17.524 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 16.407 34.187 16.410 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 17.597 33.540 16.192 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.340 33.456 16.875 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.594 32.825 12.231 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.755 34.032 12.693 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.659 34.056 14.209 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.033 34.228 14.860 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 17.474 35.728 15.001 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 18.857 35.769 15.559 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.573 36.722 16.244 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 20.819 36.190 16.519 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 20.913 34.902 16.028 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 21.932 33.943 16.044 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.671 32.712 15.415 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 20.446 32.443 14.791 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 19.438 33.408 14.787 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.699 34.637 15.419 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 18.099 33.356 14.163 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.890 32.709 13.001 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 21.877 36.887 17.218 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 14.600 34.987 14.711 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 15.362 33.114 14.493 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 15.761 33.148 9.949 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 16.880 33.005 10.738 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 18.023 33.033 10.293 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 14.837 33.178 10.363 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 15.860 33.285 8.491 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 16.358 31.358 6.862 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 15.365 31.988 7.827 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 15.109 34.541 8.004 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 15.203 35.609 8.938 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 14.709 35.348 9.735 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
"type": "blob"
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@@ -39868,7 +42638,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.6 kcal/mol"
+ "-8.5 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -39883,7 +42653,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.496 33.048 12.716 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 20.231 32.815 13.365 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 18.991 32.873 12.778 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 18.117 32.585 13.821 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 16.775 32.544 13.677 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 16.342 32.807 12.422 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 17.135 33.107 11.306 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 18.524 33.140 11.488 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 18.787 32.355 14.989 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 20.054 32.498 14.693 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 21.073 32.359 15.548 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 20.856 32.123 16.511 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 22.052 32.466 15.327 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.535 33.380 9.994 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 16.645 32.454 8.944 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 16.072 32.712 7.695 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.384 33.903 7.476 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.266 34.835 8.505 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.835 34.574 9.753 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.561 33.316 12.034 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.061 33.504 12.459 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 19.245 33.727 13.976 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 18.479 32.674 14.816 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 18.630 32.937 16.353 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.780 34.084 16.757 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 17.823 34.979 17.800 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 16.706 35.784 17.702 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 15.952 35.421 16.606 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.744 35.900 16.098 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 14.235 35.261 14.955 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 14.914 34.202 14.336 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.141 33.755 14.838 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 16.622 34.372 16.002 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.013 32.678 14.293 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 16.877 32.337 12.992 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 20.701 33.868 14.305 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 18.795 34.629 14.189 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 16.456 36.518 18.354 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.503 32.869 8.530 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 16.676 33.487 9.750 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 16.274 34.622 9.998 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 17.378 32.790 10.695 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 17.517 31.804 10.546 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 14.673 32.826 6.868 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 15.817 33.623 7.476 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 16.929 31.510 8.176 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 17.991 31.521 7.087 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
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@@ -39904,7 +42674,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.6 kcal/mol"
+ "-8.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -39919,7 +42689,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.186 34.667 15.411 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 15.542 34.235 15.186 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 16.125 33.977 13.970 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 17.419 33.585 14.299 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 18.344 33.230 13.382 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 17.908 33.285 12.101 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 16.631 33.664 11.665 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 15.694 34.030 12.642 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 17.622 33.609 15.649 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 16.484 34.002 16.163 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 16.235 34.166 17.466 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 16.986 33.973 18.122 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 15.361 34.470 17.870 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.283 33.675 10.239 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 15.614 34.770 9.668 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 15.284 34.782 8.310 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.616 33.697 7.502 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 16.279 32.602 8.049 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 16.611 32.592 9.406 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.031 33.585 14.115 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 21.338 32.750 14.026 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 21.881 32.277 15.392 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 21.386 33.061 16.607 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 19.882 33.067 16.657 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 19.230 32.976 15.298 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.841 33.441 15.320 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 17.108 33.854 16.394 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 17.740 33.970 17.735 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 19.280 34.137 17.584 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 15.797 34.069 15.903 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 14.585 34.438 16.521 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 13.425 34.559 15.753 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 13.459 34.325 14.384 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 14.648 33.969 13.740 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 15.819 33.842 14.507 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 17.136 33.562 14.144 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 17.798 33.424 12.909 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 19.160 33.416 12.848 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 19.617 32.181 17.106 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 21.825 35.516 13.751 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 20.432 35.096 14.212 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 17.097 33.423 11.609 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 16.754 34.431 11.018 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 16.942 32.138 11.206 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 17.744 31.740 10.083 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 16.921 31.797 8.811 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
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@@ -39940,7 +42710,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.6 kcal/mol"
+ "-8.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -39955,7 +42725,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and C_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.215 34.635 15.457 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 15.568 34.204 15.212 0.00 0.00 -0.314 N \nATOM 3 C UNL 1 16.136 33.956 13.988 0.00 0.00 +0.089 A \nATOM 4 C UNL 1 17.434 33.561 14.297 0.00 0.00 +0.180 A \nATOM 5 N UNL 1 18.347 33.213 13.366 0.00 0.00 -0.234 NA\nATOM 6 C UNL 1 17.896 33.279 12.092 0.00 0.00 +0.121 C \nATOM 7 C UNL 1 16.614 33.661 11.674 0.00 0.00 +0.002 C \nATOM 8 C UNL 1 15.690 34.019 12.665 0.00 0.00 +0.039 C \nATOM 9 N UNL 1 17.654 33.574 15.645 0.00 0.00 -0.195 NA\nATOM 10 C UNL 1 16.522 33.963 16.175 0.00 0.00 +0.195 A \nATOM 11 N UNL 1 16.288 34.117 17.483 0.00 0.00 -0.329 N \nATOM 12 H UNL 1 17.047 33.918 18.128 0.00 0.00 +0.145 HD\nATOM 13 H UNL 1 15.419 34.417 17.900 0.00 0.00 +0.145 HD\nENDROOT\nBRANCH 7 14\nATOM 14 C UNL 1 16.250 33.684 10.252 0.00 0.00 -0.016 C \nATOM 15 C UNL 1 16.520 32.584 9.421 0.00 0.00 +0.008 C \nATOM 16 C UNL 1 16.171 32.603 8.067 0.00 0.00 +0.001 C \nATOM 17 C UNL 1 15.550 33.725 7.523 0.00 0.00 +0.000 C \nATOM 18 C UNL 1 15.275 34.826 8.331 0.00 0.00 +0.001 C \nATOM 19 C UNL 1 15.621 34.804 9.684 0.00 0.00 +0.008 C \nENDBRANCH 7 14\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_4 and N_7\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.856 32.860 12.559 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 17.980 32.166 12.088 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 18.149 31.812 10.799 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 17.181 32.120 9.914 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 16.029 32.790 10.306 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 15.862 33.163 11.641 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 19.008 31.788 12.952 0.00 0.00 -0.342 N \nATOM 8 H UNL 1 18.708 31.278 13.771 0.00 0.00 +0.144 HD\nATOM 9 H UNL 1 19.751 31.342 12.423 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 12\nATOM 10 C UNL 1 17.571 34.159 14.567 0.00 0.00 +0.405 C \nATOM 11 O UNL 1 18.426 34.891 14.096 0.00 0.00 -0.226 OA\nATOM 12 N UNL 1 16.815 33.230 13.916 0.00 0.00 -0.248 N \nATOM 13 H UNL 1 16.157 32.729 14.497 0.00 0.00 +0.158 HD\nBRANCH 10 14\nATOM 14 O UNL 1 17.202 34.164 15.876 0.00 0.00 -0.450 OA\nBRANCH 14 16\nATOM 15 C UNL 1 15.478 35.503 16.847 0.00 0.00 +0.048 C \nATOM 16 C UNL 1 15.786 34.227 16.089 0.00 0.00 +0.230 C \nENDBRANCH 14 16\nENDBRANCH 10 14\nENDBRANCH 1 12\nBRANCH 4 17\nATOM 17 N UNL 1 17.420 31.707 8.634 0.00 0.00 -0.325 N \nATOM 18 H UNL 1 18.303 31.226 8.521 0.00 0.00 +0.148 HD\nBRANCH 17 19\nATOM 19 C UNL 1 16.699 32.147 7.468 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 15.851 31.015 6.933 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 14.564 30.784 7.445 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 13.786 29.733 6.953 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.297 28.909 5.959 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 15.572 29.113 5.444 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 16.350 30.165 5.930 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.550 27.900 5.490 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 17 19\nENDBRANCH 4 17\nTORSDOF 6\n",
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@@ -39976,7 +42746,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.6 kcal/mol"
+ "-8.4 kcal/mol"
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"sele": "@0",
@@ -39991,7 +42761,7 @@
"args": [
{
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.845 32.206 10.226 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 18.189 32.094 10.282 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 18.839 32.543 11.378 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 18.320 33.112 12.472 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 16.983 33.220 12.404 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 16.235 32.786 11.324 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 14.944 33.085 11.660 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 14.961 33.672 12.897 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 16.182 33.766 13.373 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 14.126 32.909 11.097 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 16.141 31.765 9.133 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 15.137 31.810 9.095 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.850 31.197 8.008 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 14.194 28.500 5.934 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 15.573 28.374 5.778 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 16.435 29.248 6.444 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 15.922 30.261 7.266 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 14.532 30.373 7.422 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 13.673 29.497 6.757 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.415 33.598 13.270 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 14.717 34.227 13.732 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 14.757 34.289 15.240 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.040 34.953 15.719 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.256 34.223 15.160 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 17.198 34.235 13.630 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 15.943 33.513 13.140 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 14.704 35.181 13.355 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 15.887 33.386 11.640 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 15.776 34.410 10.815 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 15.696 33.874 9.552 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 15.524 34.508 8.315 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 15.479 33.717 7.159 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 15.610 32.329 7.236 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 15.778 31.680 8.464 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 15.810 32.492 9.600 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 15.924 32.202 10.936 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 15.980 31.266 11.312 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 18.505 34.786 15.649 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 19.344 34.012 16.432 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 19.067 32.844 16.675 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 20.457 34.703 16.841 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 18.797 35.719 15.396 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 20.448 35.704 16.715 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 21.580 34.175 17.514 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 21.614 33.919 18.888 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 22.757 33.375 19.485 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 23.883 33.080 18.714 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 23.857 33.331 17.340 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 22.711 33.872 16.744 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 25.051 32.519 19.327 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 25.993 32.063 19.825 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
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@@ -40012,7 +42782,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-8.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40027,7 +42797,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: C_13 and C_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.130 31.177 7.324 0.00 0.00 +0.148 C \nATOM 2 N UNL 1 17.439 31.206 6.993 0.00 0.00 -0.219 NA\nATOM 3 C UNL 1 17.950 30.202 6.249 0.00 0.00 +0.225 C \nATOM 4 N UNL 1 17.318 29.126 5.767 0.00 0.00 -0.214 NA\nATOM 5 C UNL 1 16.017 29.105 6.103 0.00 0.00 +0.183 C \nATOM 6 C UNL 1 15.409 30.091 6.859 0.00 0.00 +0.125 C \nATOM 7 N UNL 1 14.108 29.684 6.967 0.00 0.00 -0.340 N \nATOM 8 C UNL 1 13.985 28.501 6.291 0.00 0.00 +0.199 C \nATOM 9 N UNL 1 15.124 28.125 5.756 0.00 0.00 -0.216 NA\nATOM 10 H UNL 1 13.371 30.167 7.460 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 1 11\nATOM 11 N UNL 1 15.566 32.174 8.078 0.00 0.00 -0.323 N \nATOM 12 H UNL 1 14.585 32.182 8.300 0.00 0.00 +0.148 HD\nBRANCH 11 13\nATOM 13 C UNL 1 16.389 33.263 8.555 0.00 0.00 +0.138 C \nBRANCH 13 17\nATOM 14 C UNL 1 17.131 32.779 12.779 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 18.086 32.361 11.853 0.00 0.00 +0.000 C \nATOM 16 C UNL 1 17.847 32.512 10.486 0.00 0.00 +0.005 C \nATOM 17 C UNL 1 16.646 33.075 10.033 0.00 0.00 -0.030 C \nATOM 18 C UNL 1 15.696 33.499 10.975 0.00 0.00 +0.005 C \nATOM 19 C UNL 1 15.938 33.350 12.341 0.00 0.00 +0.000 C \nENDBRANCH 13 17\nENDBRANCH 11 13\nENDBRANCH 1 11\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 19.548 34.016 15.611 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 19.811 34.041 17.095 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 21.222 34.696 17.049 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 21.207 35.585 15.740 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 21.387 34.451 14.146 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 19.701 33.886 13.511 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 19.148 32.168 13.239 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 17.289 32.044 13.653 0.00 0.00 -0.360 N \nATOM 9 C UNK A 0 16.665 33.708 14.297 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 15.653 34.046 15.201 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 15.790 35.257 15.971 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 16.923 36.146 16.073 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 18.094 35.962 15.332 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 18.030 34.879 14.217 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 19.650 36.483 15.841 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 19.863 35.728 14.842 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 21.554 35.460 18.286 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 21.930 33.963 16.920 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 17.059 31.267 14.251 0.00 0.00 +0.165 HD\nATOM 20 N ALA A 1 18.014 33.542 12.832 0.00 0.00 -0.310 N \nATOM 21 C UNK A 0 18.432 33.082 14.782 0.00 0.00 +0.225 C \nATOM 22 O UNK A 0 18.057 32.153 15.574 0.00 0.00 -0.275 OA\nATOM 23 H ALA A 1 18.441 34.349 12.360 0.00 0.00 +0.149 HD\nENDROOT\nBRANCH 20 25\nATOM 24 CB ALA A 1 15.946 33.944 11.120 0.00 0.00 +0.030 C \nATOM 25 CA ALA A 1 17.126 33.037 11.509 0.00 0.00 +0.095 C \nBRANCH 25 26\nATOM 26 C ALA A 1 17.905 32.476 10.294 0.00 0.00 +0.177 C \nBRANCH 26 27\nATOM 27 O ALA A 1 17.630 31.084 10.138 0.00 0.00 -0.393 OA\nATOM 28 H ALA A 1 18.155 30.770 9.382 0.00 0.00 +0.209 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 20 25\nTORSDOF 3\n",
"type": "blob"
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@@ -40048,7 +42818,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.6 kcal/mol"
+ "-8.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40063,7 +42833,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_2\nREMARK 2 A between atoms: N_1 and C_17\nREMARK 3 A between atoms: N_8 and C_23\nREMARK 4 A between atoms: C_14 and C_19\nREMARK 5 A between atoms: C_20 and C_21\nREMARK 6 A between atoms: C_26 and C_29\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.560 34.046 15.000 0.00 0.00 +0.128 C \nATOM 2 N UNL 1 19.042 33.529 16.145 0.00 0.00 -0.199 NA\nATOM 3 C UNL 1 19.916 34.264 16.851 0.00 0.00 +0.221 C \nATOM 4 N UNL 1 20.291 35.501 16.498 0.00 0.00 -0.223 NA\nATOM 5 C UNL 1 19.764 36.003 15.369 0.00 0.00 +0.118 C \nATOM 6 C UNL 1 18.894 35.309 14.570 0.00 0.00 +0.063 C \nATOM 7 N UNL 1 20.449 33.619 17.963 0.00 0.00 -0.284 N \nATOM 8 H UNL 1 20.046 32.696 18.027 0.00 0.00 +0.155 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 21.417 33.960 18.914 0.00 0.00 +0.034 C \nATOM 10 C UNL 1 22.442 33.103 19.325 0.00 0.00 +0.024 C \nATOM 11 C UNL 1 23.362 33.488 20.308 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 23.267 34.745 20.907 0.00 0.00 +0.052 C \nATOM 13 C UNL 1 22.251 35.615 20.512 0.00 0.00 +0.020 C \nATOM 14 C UNL 1 21.339 35.223 19.525 0.00 0.00 +0.024 C \nBRANCH 12 15\nATOM 15 C UNL 1 24.201 35.136 21.921 0.00 0.00 +0.099 C \nATOM 16 N UNL 1 24.954 35.454 22.745 0.00 0.00 -0.191 NA\nENDBRANCH 12 15\nENDBRANCH 7 9\nBRANCH 1 17\nATOM 17 N UNL 1 17.708 33.221 14.262 0.00 0.00 -0.299 N \nATOM 18 H UNL 1 17.546 32.347 14.751 0.00 0.00 +0.154 HD\nBRANCH 17 25\nATOM 19 C UNL 1 19.950 32.313 12.553 0.00 0.00 +0.046 C \nATOM 20 C UNL 1 18.577 32.650 12.031 0.00 0.00 -0.028 C \nATOM 21 C UNL 1 18.331 32.465 10.659 0.00 0.00 +0.013 C \nATOM 22 C UNL 1 17.064 32.681 10.108 0.00 0.00 -0.024 C \nATOM 23 C UNL 1 16.040 33.141 10.941 0.00 0.00 +0.013 C \nATOM 24 C UNL 1 16.264 33.353 12.313 0.00 0.00 -0.028 C \nATOM 25 C UNL 1 17.544 33.129 12.865 0.00 0.00 +0.038 C \nATOM 26 C UNL 1 15.122 33.813 13.181 0.00 0.00 +0.046 C \nBRANCH 22 27\nATOM 27 C UNL 1 16.869 32.384 8.683 0.00 0.00 +0.019 C \nATOM 28 C UNL 1 16.051 31.420 8.235 0.00 0.00 +0.089 C \nBRANCH 28 29\nATOM 29 C UNL 1 16.039 31.023 6.768 0.00 0.00 +0.091 C \nATOM 30 N UNL 1 16.030 30.693 5.552 0.00 0.00 -0.191 NA\nENDBRANCH 28 29\nENDBRANCH 22 27\nENDBRANCH 17 25\nENDBRANCH 1 17\nTORSDOF 6\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.920 33.765 14.669 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 21.262 33.085 15.060 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 21.465 32.914 16.581 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 20.619 33.827 17.467 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 19.157 33.666 17.151 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 18.886 33.274 15.718 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.509 33.570 15.315 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 16.497 34.069 16.081 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 16.751 34.481 17.488 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 18.262 34.798 17.683 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 15.345 34.045 15.257 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 13.992 34.368 15.483 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 13.064 34.223 14.449 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 13.467 33.769 13.199 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 14.804 33.451 12.941 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 15.743 33.592 13.978 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 17.125 33.410 14.004 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 18.092 33.146 13.014 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 19.421 33.286 13.286 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 18.848 32.843 17.684 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 21.569 35.796 14.183 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 20.176 35.307 14.569 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 17.752 32.845 11.609 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 17.773 31.727 11.127 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 17.400 34.002 10.995 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 16.676 33.853 9.764 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 15.690 34.994 9.601 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
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@@ -40084,7 +42854,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.6 kcal/mol"
+ "-8.3 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -40099,7 +42869,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.381 31.338 7.525 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 15.576 31.802 6.514 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.116 33.000 6.762 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 15.651 33.338 7.990 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 16.454 32.309 8.504 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.093 32.464 9.770 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 17.911 31.499 10.405 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 18.486 31.763 11.648 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 18.252 32.982 12.270 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 17.440 33.933 11.647 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.852 33.706 10.412 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 16.087 34.684 9.911 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 15.476 34.535 8.718 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 14.698 35.571 8.257 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 14.617 36.394 8.832 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 14.235 35.470 7.366 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 17.034 30.046 7.438 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 18.379 29.287 5.458 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.969 29.403 6.041 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.300 28.028 6.047 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.108 33.300 13.100 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 20.595 32.893 13.050 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 21.260 32.785 14.443 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 20.685 33.929 15.364 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 21.483 34.254 16.667 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 22.938 34.331 16.371 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 23.999 34.937 17.001 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 25.149 34.574 16.326 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 24.838 33.737 15.275 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 25.626 33.067 14.341 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 24.952 32.250 13.420 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 23.554 32.133 13.416 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 22.770 32.840 14.338 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 23.462 33.612 15.278 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 19.169 33.691 15.597 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 18.495 32.934 14.452 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 26.089 34.847 16.585 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 18.753 34.628 15.630 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 17.474 31.707 9.525 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 16.618 32.408 10.331 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 15.421 32.483 10.066 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 17.209 33.060 11.428 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 18.343 32.517 12.032 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 18.789 31.401 11.741 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 18.357 31.397 9.921 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 17.138 32.021 7.100 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 17.044 31.078 8.289 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 16.528 34.247 12.001 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.517 34.044 13.145 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 15.608 35.088 14.253 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 14.243 35.321 14.877 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 13.224 34.250 14.563 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 14.338 35.540 16.366 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 13.861 36.195 14.485 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 18.772 33.048 16.920 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 17.517 33.638 17.482 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 17.470 34.573 18.442 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
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@@ -40120,7 +42890,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.5 kcal/mol"
+ "-8.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40135,7 +42905,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.971 34.539 15.284 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 17.687 34.369 16.443 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 18.737 33.610 16.266 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.709 33.273 14.926 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.604 33.841 14.275 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.394 33.605 12.883 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 16.315 34.103 12.116 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 16.213 33.806 10.757 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 17.178 33.012 10.152 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 18.241 32.516 10.909 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 18.375 32.790 12.263 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.429 32.256 12.892 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 19.623 32.473 14.210 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 20.720 31.893 14.803 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 21.329 31.332 14.230 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.875 32.047 15.789 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.791 35.381 15.243 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 14.182 36.023 17.060 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.638 34.891 16.138 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.444 34.364 15.340 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.647 32.735 13.765 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 18.484 33.928 14.730 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 19.803 34.366 15.412 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 20.654 33.077 15.731 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 21.824 33.239 16.753 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 21.371 34.025 17.931 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 21.818 34.128 19.227 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 21.068 35.105 19.853 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 20.149 35.634 18.971 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 19.213 36.659 19.091 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 18.458 36.960 17.947 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 18.614 36.248 16.747 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.534 35.195 16.649 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 20.310 34.942 17.787 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 21.069 32.390 14.403 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 20.087 32.646 13.259 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 21.197 35.418 20.807 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 21.047 31.383 14.603 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 16.352 34.300 10.560 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 15.657 33.702 11.577 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 14.441 33.552 11.506 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 16.418 33.332 12.700 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 17.754 32.960 12.544 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 18.281 32.803 11.437 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 17.351 34.125 10.497 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 15.694 33.868 8.221 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 15.699 34.847 9.384 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 15.738 33.218 14.014 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 15.122 34.482 14.644 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 13.936 34.208 15.562 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 14.232 34.691 16.972 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 15.574 34.251 17.511 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 14.078 36.187 17.095 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 13.527 34.280 17.602 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 22.487 32.652 13.909 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 22.546 33.783 12.932 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 22.786 35.063 13.251 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
"type": "blob"
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@@ -40156,7 +42926,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.5 kcal/mol"
+ "-8.3 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -40171,7 +42941,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.795 34.020 13.009 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 14.860 33.464 12.171 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.401 32.658 11.295 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 16.753 32.683 11.578 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.039 33.536 12.654 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 18.385 33.703 13.097 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 18.808 34.542 14.155 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 20.157 34.626 14.500 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 21.094 33.880 13.798 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 20.679 33.056 12.750 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 19.347 32.948 12.378 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.063 32.133 11.354 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 17.791 31.981 10.931 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 17.562 31.135 9.871 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 18.352 30.668 9.457 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 16.614 31.014 9.544 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.410 34.911 14.086 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.827 34.509 16.530 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.908 34.188 15.350 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.465 34.545 15.709 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.291 34.247 7.489 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 15.851 33.834 8.839 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 15.720 34.970 9.824 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.313 34.587 11.172 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 15.657 33.314 11.698 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 15.866 32.180 10.691 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 15.216 32.532 9.352 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 16.846 33.647 8.671 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 15.282 31.406 8.354 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 14.223 30.850 7.796 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 14.700 29.833 7.005 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 14.006 28.897 6.227 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 14.744 27.953 5.500 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 16.140 27.948 5.545 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 16.848 28.872 6.321 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 16.086 29.795 7.041 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 16.436 30.799 7.909 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 17.385 31.005 8.187 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 16.149 32.950 13.018 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 17.502 33.045 13.295 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 18.280 33.479 12.454 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 17.802 32.629 14.567 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 15.519 32.667 13.755 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 17.084 32.128 15.068 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 19.049 32.740 15.221 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 20.273 32.438 14.616 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 21.474 32.591 15.319 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 21.465 33.047 16.639 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 20.246 33.352 17.250 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 19.047 33.202 16.544 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 22.696 33.206 17.356 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 23.692 33.330 17.935 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
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@@ -40192,7 +42962,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.5 kcal/mol"
+ "-8.2 kcal/mol"
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"sele": "@0",
@@ -40207,7 +42977,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_5\nREMARK 2 A between atoms: N_1 and C_13\nREMARK 3 A between atoms: N_1 and C_21\nREMARK 4 A between atoms: C_13 and C_14\nREMARK 5 A between atoms: C_14 and C_15\nREMARK 6 A between atoms: C_15 and C_16\nREMARK 7 A between atoms: C_16 and N_17\nREMARK 8 A between atoms: C_21 and C_22\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.567 33.774 14.289 0.00 0.00 +0.247 N \nATOM 2 H UNL 1 18.040 33.130 13.624 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 5\nATOM 3 C UNL 1 19.745 36.654 15.670 0.00 0.00 +0.011 C \nATOM 4 C UNL 1 18.482 35.989 15.119 0.00 0.00 +0.061 C \nATOM 5 C UNL 1 18.755 34.498 14.903 0.00 0.00 +0.115 C \nATOM 6 C UNL 1 20.014 34.242 14.102 0.00 0.00 +0.092 C \nATOM 7 C UNL 1 21.039 35.187 14.047 0.00 0.00 -0.021 C \nATOM 8 C UNL 1 20.910 36.548 14.681 0.00 0.00 +0.037 C \nATOM 9 C UNL 1 22.174 34.856 13.306 0.00 0.00 +0.007 C \nATOM 10 C UNL 1 22.254 33.620 12.670 0.00 0.00 +0.020 C \nATOM 11 C UNL 1 21.183 32.750 12.779 0.00 0.00 +0.111 C \nATOM 12 N UNL 1 20.056 33.032 13.476 0.00 0.00 -0.254 NA\nENDBRANCH 1 5\nBRANCH 1 13\nATOM 13 C UNL 1 16.771 32.923 15.243 0.00 0.00 +0.132 C \nBRANCH 13 14\nATOM 14 C UNL 1 16.487 33.713 16.530 0.00 0.00 +0.056 C \nBRANCH 14 15\nATOM 15 C UNL 1 15.045 34.238 16.586 0.00 0.00 +0.056 C \nBRANCH 15 16\nATOM 16 C UNL 1 14.991 35.644 17.185 0.00 0.00 +0.127 C \nBRANCH 16 17\nATOM 17 N UNL 1 13.581 36.079 17.325 0.00 0.00 +0.219 N \nATOM 18 H UNL 1 13.085 36.123 16.424 0.00 0.00 +0.199 HD\nATOM 19 H UNL 1 13.529 37.026 17.731 0.00 0.00 +0.199 HD\nATOM 20 H UNL 1 13.039 35.467 17.950 0.00 0.00 +0.199 HD\nENDBRANCH 16 17\nENDBRANCH 15 16\nENDBRANCH 14 15\nENDBRANCH 13 14\nENDBRANCH 1 13\nBRANCH 1 21\nATOM 21 C UNL 1 16.732 34.591 13.321 0.00 0.00 +0.207 C \nBRANCH 21 22\nATOM 22 C UNL 1 16.706 33.978 11.957 0.00 0.00 +0.154 A \nATOM 23 N UNL 1 16.016 34.423 10.920 0.00 0.00 -0.227 NA\nATOM 24 C UNL 1 16.303 33.555 9.890 0.00 0.00 +0.089 A \nATOM 25 C UNL 1 15.854 33.555 8.561 0.00 0.00 +0.030 C \nATOM 26 C UNL 1 16.306 32.546 7.702 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 17.181 31.557 8.156 0.00 0.00 +0.002 C \nATOM 28 C UNL 1 17.638 31.540 9.479 0.00 0.00 +0.028 C \nATOM 29 C UNL 1 17.175 32.559 10.313 0.00 0.00 +0.066 A \nATOM 30 N UNL 1 17.413 32.844 11.633 0.00 0.00 -0.338 N \nATOM 31 H UNL 1 18.009 32.297 12.243 0.00 0.00 +0.167 HD\nENDBRANCH 21 22\nENDBRANCH 1 21\nTORSDOF 8\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.871 32.270 15.804 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 20.097 32.278 14.497 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 18.691 32.777 14.730 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 17.889 32.754 13.437 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 18.597 33.569 12.359 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 19.995 32.991 12.121 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 20.828 33.069 13.400 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 20.062 31.297 14.199 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 22.254 32.626 13.200 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 23.257 32.994 13.974 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 24.386 32.434 13.425 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 25.726 32.540 13.819 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 26.697 31.855 13.078 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 26.338 31.077 11.974 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 25.005 30.965 11.565 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 24.060 31.666 12.317 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 22.702 31.806 12.187 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 22.156 31.400 11.440 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 17.829 33.629 11.126 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 17.594 32.469 10.408 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 17.985 31.387 10.828 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 16.889 32.705 9.254 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 17.425 34.495 10.799 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 16.804 33.665 8.957 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 16.352 31.737 8.379 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 17.129 30.923 7.549 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 16.528 29.968 6.720 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 15.139 29.817 6.709 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 14.356 30.627 7.536 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 14.959 31.577 8.367 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 14.527 28.837 5.862 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 14.031 28.041 5.180 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
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@@ -40228,7 +42998,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-8.2 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40243,7 +43013,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.302 32.680 13.137 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.529 32.064 13.098 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 19.147 32.124 14.248 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.281 32.805 15.081 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.105 33.174 14.411 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.084 33.894 15.101 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 14.864 34.339 14.538 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 13.937 35.037 15.312 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.215 35.300 16.647 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 15.421 34.867 17.202 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.366 34.171 16.463 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 17.490 33.810 17.095 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.458 33.136 16.441 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 19.593 32.797 17.141 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 19.652 33.069 18.109 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.326 32.294 16.662 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 16.426 32.693 11.982 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 17.334 32.162 9.702 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 17.071 33.280 10.713 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.223 34.373 10.062 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.404 33.301 13.536 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 16.605 33.492 12.403 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 15.274 33.858 12.579 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 14.692 34.061 13.786 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 15.473 33.888 14.865 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 16.805 33.516 14.790 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 17.072 33.233 10.719 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 16.981 34.530 10.083 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 18.313 32.491 10.779 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 15.886 32.270 10.068 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 15.787 32.030 8.708 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 16.343 32.702 7.856 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 14.999 30.949 8.437 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 15.443 31.645 10.726 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 14.675 30.389 9.207 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 14.803 30.454 7.084 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 16.010 29.634 6.637 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 13.527 29.621 7.013 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 18.779 32.977 13.542 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 18.961 32.063 13.961 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 23.303 34.228 11.995 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 22.106 34.495 12.859 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 21.013 33.617 12.859 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 19.897 33.836 13.684 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 19.892 34.960 14.511 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 20.982 35.834 14.532 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 22.086 35.600 13.714 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
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@@ -40264,7 +43034,7 @@
"kwargs": {
"backgroundColor": "black",
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+ "-8.2 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40279,7 +43049,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.286 34.497 8.156 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 15.750 33.499 7.303 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.629 32.511 7.755 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 17.028 32.565 9.097 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 16.581 33.554 9.979 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 15.692 34.536 9.496 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 17.195 33.303 11.244 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 17.994 32.178 11.095 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.876 31.745 9.805 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 18.766 31.590 12.027 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 18.721 32.192 13.229 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 17.969 33.331 13.507 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 17.179 33.908 12.510 0.00 0.00 +0.015 C \nATOM 14 N UNL 1 19.537 31.651 14.209 0.00 0.00 -0.343 N \nATOM 15 H UNL 1 18.361 30.941 9.441 0.00 0.00 +0.167 HD\nATOM 16 H UNL 1 20.038 30.836 13.876 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 19.170 31.610 15.148 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.840 34.048 15.221 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 16.644 34.582 16.234 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 16.125 35.599 17.031 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 14.874 36.103 16.905 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 14.108 35.572 15.938 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 14.539 34.565 15.091 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 18.327 34.172 16.582 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 18.719 35.029 17.681 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 18.352 32.729 16.686 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 19.190 34.643 15.244 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 20.499 34.247 15.027 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 21.222 33.782 15.892 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 20.879 34.433 13.729 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 18.626 34.973 14.475 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 20.180 34.716 13.063 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 22.184 34.023 13.239 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 22.133 32.588 12.723 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 22.652 34.975 12.143 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 16.186 32.986 14.355 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 16.529 32.168 14.863 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 15.788 34.704 9.739 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 16.565 33.961 10.785 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.030 33.762 12.066 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 16.732 33.043 13.049 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 17.988 32.526 12.726 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 18.523 32.704 11.448 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 17.814 33.414 10.481 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
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@@ -40300,7 +43070,7 @@
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"sele": "@0",
@@ -40315,7 +43085,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.531 32.553 11.003 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.894 32.774 11.117 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.386 33.466 12.223 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.551 33.950 13.223 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 15.162 33.736 13.127 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 14.674 33.028 11.997 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 14.348 34.256 14.174 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 14.961 34.941 15.262 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 14.262 35.495 16.368 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 14.928 36.162 17.397 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 16.307 36.288 17.346 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 17.004 35.747 16.266 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 16.363 35.081 15.230 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 17.125 34.601 14.241 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 12.962 34.039 14.166 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.507 33.616 13.372 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.367 34.457 14.863 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_6 and C_7\nREMARK 2 A between atoms: C_7 and N_8\nREMARK 3 A between atoms: N_20 and CA_25\nREMARK 4 A between atoms: CA_25 and C_26\nREMARK 5 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 20.864 34.279 14.792 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 21.046 35.424 13.830 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 22.479 35.066 13.343 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 22.567 33.493 13.485 0.00 0.00 +0.100 C \nATOM 5 N UNK A 0 18.645 33.871 17.574 0.00 0.00 -0.360 NA\nATOM 6 C UNK A 0 18.047 33.274 15.884 0.00 0.00 +0.047 C \nATOM 7 C UNK A 0 17.000 33.691 15.056 0.00 0.00 +0.026 C \nATOM 8 C UNK A 0 17.138 33.527 13.631 0.00 0.00 +0.003 C \nATOM 9 C UNK A 0 18.294 33.116 12.871 0.00 0.00 +0.009 C \nATOM 10 C UNK A 0 19.497 32.737 13.475 0.00 0.00 -0.007 C \nATOM 11 C UNK A 0 19.455 32.559 15.019 0.00 0.00 +0.011 C \nATOM 12 C UNK A 0 21.040 32.901 12.738 0.00 0.00 +0.005 C \nATOM 13 C UNK A 0 21.281 32.623 13.954 0.00 0.00 +0.000 C \nATOM 14 C UNK A 0 22.771 35.558 11.966 0.00 0.00 +0.191 C \nATOM 15 H UNK A 0 23.166 35.477 13.987 0.00 0.00 +0.204 HD\nATOM 16 H UNK A 0 18.356 34.809 17.798 0.00 0.00 +0.165 HD\nATOM 17 C UNK A 0 19.762 34.158 16.048 0.00 0.00 +0.225 C \nATOM 18 O UNK A 0 19.664 32.920 16.345 0.00 0.00 -0.275 OA\nENDROOT\nBRANCH 5 19\nATOM 19 C UNK A 0 20.527 33.593 17.728 0.00 0.00 +0.087 C \nBRANCH 19 21\nATOM 20 C UNK A 0 22.794 32.993 15.372 0.00 0.00 +0.096 C \nATOM 21 C UNK A 0 21.126 32.751 16.223 0.00 0.00 -0.016 C \nENDBRANCH 19 21\nENDBRANCH 5 19\nTORSDOF 2\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_6 and C_7\nREMARK 2 A between atoms: C_7 and N_8\nREMARK 3 A between atoms: N_20 and CA_25\nREMARK 4 A between atoms: CA_25 and C_26\nREMARK 5 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 CB ALA A 1 18.034 37.719 18.522 0.00 0.00 +0.030 C \nATOM 2 CA ALA A 1 17.688 36.406 17.799 0.00 0.00 +0.095 C \nENDROOT\nBRANCH 2 3\nATOM 3 N ALA A 1 18.836 35.857 16.716 0.00 0.00 -0.310 NA\nATOM 4 H ALA A 1 19.055 36.784 16.328 0.00 0.00 +0.149 HD\nENDBRANCH 2 3\nBRANCH 2 5\nATOM 5 C ALA A 1 16.200 36.300 17.382 0.00 0.00 +0.177 C \nBRANCH 5 6\nATOM 6 O ALA A 1 15.645 35.076 17.860 0.00 0.00 -0.393 OA\nATOM 7 H ALA A 1 14.720 35.041 17.557 0.00 0.00 +0.209 HD\nENDBRANCH 5 6\nENDBRANCH 2 5\nTORSDOF 3\n",
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"labelText": [
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@@ -40351,7 +43121,7 @@
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{
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.478 36.328 17.508 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.845 36.433 17.313 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.422 35.869 16.175 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.668 35.197 15.222 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 15.275 35.077 15.400 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 14.701 35.658 16.562 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 14.547 34.374 14.399 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 15.239 33.845 13.272 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 14.627 33.135 12.204 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 15.370 32.638 11.133 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 16.740 32.840 11.103 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 17.353 33.537 12.144 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 16.634 34.039 13.221 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 17.318 34.692 14.167 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 13.152 34.258 14.489 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.657 34.567 15.311 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.632 33.707 13.825 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 21.096 34.951 15.906 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 21.488 35.993 14.891 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 22.468 35.118 14.057 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 21.927 33.641 14.226 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 22.394 32.945 16.004 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 21.051 33.342 17.271 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 21.259 34.234 18.850 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 19.691 35.270 19.185 0.00 0.00 -0.360 NA\nATOM 9 C UNK A 0 18.494 35.106 17.733 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 17.543 35.980 17.195 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 17.236 35.886 15.790 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 17.882 35.098 14.768 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 18.928 34.213 15.048 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 19.208 33.947 16.555 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 20.158 33.787 13.927 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 20.560 33.341 15.046 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 22.580 35.554 12.636 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 23.402 35.159 14.484 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 19.886 36.224 19.444 0.00 0.00 +0.165 HD\nATOM 20 C UNK A 0 20.401 35.194 17.411 0.00 0.00 +0.225 C \nATOM 21 O UNK A 0 19.943 34.067 17.800 0.00 0.00 -0.275 OA\nENDROOT\nTORSDOF 0\nREMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 CB ALA A 1 20.924 38.630 20.351 0.00 0.00 +0.030 C \nATOM 2 CA ALA A 1 19.825 37.976 19.496 0.00 0.00 +0.095 C \nENDROOT\nBRANCH 2 3\nATOM 3 N ALA A 1 20.366 37.087 18.188 0.00 0.00 -0.310 NA\nATOM 4 H ALA A 1 20.794 37.883 17.699 0.00 0.00 +0.149 HD\nENDBRANCH 2 3\nBRANCH 2 5\nATOM 5 C ALA A 1 18.583 38.876 19.287 0.00 0.00 +0.177 C \nBRANCH 5 6\nATOM 6 O ALA A 1 18.928 40.243 19.502 0.00 0.00 -0.393 OA\nATOM 7 H ALA A 1 18.117 40.768 19.384 0.00 0.00 +0.209 HD\nENDBRANCH 5 6\nENDBRANCH 2 5\nTORSDOF 3\n",
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@@ -40372,7 +43142,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.4 kcal/mol"
+ "-8.2 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40387,7 +43157,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.672 32.260 11.098 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 16.347 32.713 10.506 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 15.301 32.810 11.608 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 15.772 33.583 12.813 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.787 34.013 13.634 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.116 34.666 14.754 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 14.082 35.071 15.588 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 14.319 35.753 16.783 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 15.621 36.038 17.158 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 16.675 35.641 16.335 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.449 34.952 15.115 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.475 34.533 14.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.130 33.784 13.077 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.182 33.279 12.116 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.827 34.747 14.527 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.071 35.425 15.234 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.526 34.590 13.815 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.373 33.149 12.476 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 18.234 34.305 13.477 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 19.430 34.434 14.449 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 20.118 33.031 14.658 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 21.174 32.948 15.811 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 20.633 33.580 17.042 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 20.920 33.445 18.380 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.126 34.341 19.070 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 19.343 35.058 18.191 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 18.414 36.081 18.377 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 17.811 36.601 17.220 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 18.109 36.108 15.941 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.020 35.056 15.770 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 19.639 34.575 16.932 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 20.670 32.512 13.314 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 19.855 32.959 12.102 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 22.134 32.744 13.054 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 20.131 34.473 20.073 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 20.552 31.487 13.346 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.475 32.658 9.353 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 17.329 32.368 10.394 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 17.932 31.302 10.509 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 17.509 33.360 11.324 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 16.802 34.078 11.366 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 17.348 31.397 7.413 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 16.194 31.595 8.385 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 15.841 33.956 9.096 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 15.282 34.041 7.684 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
"type": "blob"
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@@ -40408,7 +43178,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-8.2 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -40423,7 +43193,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.679 32.882 10.768 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.027 32.455 11.326 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 17.548 33.523 12.279 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.530 33.959 13.302 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.042 34.603 14.374 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.207 35.069 15.310 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.763 35.749 16.386 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.978 36.279 17.411 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.603 36.130 17.363 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.022 35.450 16.292 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 14.808 34.901 15.245 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 14.284 34.182 14.133 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 15.160 33.753 13.115 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 14.653 33.023 11.892 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 12.902 34.005 13.978 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.295 34.144 14.773 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.561 33.362 13.278 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.040 34.362 15.648 0.00 0.00 +0.120 C \nATOM 2 C UNL 1 19.034 34.392 14.487 0.00 0.00 +0.041 C \nATOM 3 C UNL 1 17.703 35.099 14.833 0.00 0.00 +0.070 C \nATOM 4 C UNL 1 17.415 34.994 16.380 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 15.985 35.431 16.843 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 14.957 34.819 15.962 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 13.623 34.528 16.126 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.159 34.011 14.931 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.175 33.978 14.001 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.216 33.580 12.665 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.450 33.710 12.007 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 16.593 34.196 12.660 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 16.547 34.561 14.013 0.00 0.00 -0.029 C \nATOM 14 C UNL 1 15.298 34.460 14.643 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 18.534 35.703 17.171 0.00 0.00 +0.237 N \nATOM 16 C UNL 1 19.900 35.645 16.490 0.00 0.00 +0.154 C \nATOM 17 C UNL 1 18.251 37.111 17.620 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 12.207 33.719 14.752 0.00 0.00 +0.165 HD\nATOM 19 H UNL 1 18.649 35.153 18.037 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 23.027 32.851 14.103 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 21.731 32.954 14.558 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 20.902 32.048 14.476 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 21.390 34.141 15.153 0.00 0.00 -0.291 N \nATOM 24 H UNL 1 21.973 34.938 14.944 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 24.415 31.906 12.287 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 23.404 31.627 13.389 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 24.089 33.844 14.298 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 24.892 33.570 15.559 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
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@@ -40444,7 +43214,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-8.2 kcal/mol"
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"labelType": "text",
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@@ -40459,7 +43229,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.163 32.898 11.782 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 17.421 33.230 12.322 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.555 34.057 13.447 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 18.765 34.400 13.952 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 18.782 35.205 15.038 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 17.623 35.667 15.618 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 16.404 35.342 15.135 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 16.374 34.542 14.057 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 15.137 34.181 13.543 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 15.018 33.359 12.420 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 18.989 32.541 11.467 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 16.105 32.035 10.644 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 16.404 31.075 10.795 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 15.468 33.603 7.456 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 15.288 32.108 7.152 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 15.533 31.441 8.433 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 15.810 32.382 9.384 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 15.801 33.652 8.882 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 15.468 30.450 8.623 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 16.165 34.450 9.384 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.683 35.003 14.198 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.549 36.317 15.218 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 19.278 35.125 15.214 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 18.003 34.394 16.467 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 17.858 33.897 17.773 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 16.498 33.683 18.054 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 15.733 34.057 16.984 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 14.375 34.072 16.667 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 14.049 34.497 15.352 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 15.025 34.869 14.404 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 16.345 34.845 14.795 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 16.648 34.467 16.064 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 16.135 33.299 18.918 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 19.526 36.067 16.813 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 18.818 36.047 17.565 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 20.464 37.205 17.109 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 18.605 37.711 18.716 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 20.096 37.839 18.443 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.438 34.380 16.909 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 19.849 33.050 15.705 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 18.516 33.276 14.378 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 21.123 32.456 15.069 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 21.627 33.385 13.593 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 22.821 32.211 12.908 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
"type": "blob"
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@@ -40480,7 +43250,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40495,7 +43265,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.341 31.452 7.037 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 15.363 31.181 8.359 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 15.599 32.181 9.232 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 15.605 31.916 10.597 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 15.846 32.918 11.541 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 16.088 34.221 11.122 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.089 34.516 9.761 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 15.846 33.504 8.817 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 15.832 33.766 7.446 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 15.577 32.733 6.551 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 15.272 28.276 7.440 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 14.339 29.267 6.715 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 15.094 30.400 6.152 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 16.213 30.043 5.269 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 17.179 29.082 5.998 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 16.425 27.884 6.535 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 17.071 27.282 7.061 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 16.063 27.327 5.751 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_4 and N_7\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.185 33.317 12.435 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 15.833 33.406 12.072 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 15.387 33.216 10.815 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 16.284 32.946 9.847 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 17.643 32.861 10.122 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 18.099 33.049 11.428 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 14.852 33.709 13.016 0.00 0.00 -0.342 N \nATOM 8 H UNL 1 15.032 34.540 13.562 0.00 0.00 +0.144 HD\nATOM 9 H UNL 1 13.937 33.681 12.577 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 12\nATOM 10 C UNL 1 17.993 32.539 14.664 0.00 0.00 +0.405 C \nATOM 11 O UNL 1 18.240 31.364 14.441 0.00 0.00 -0.226 OA\nATOM 12 N UNL 1 17.528 33.475 13.791 0.00 0.00 -0.248 N \nATOM 13 H UNL 1 17.393 34.398 14.182 0.00 0.00 +0.158 HD\nBRANCH 10 14\nATOM 14 O UNL 1 18.167 33.137 15.874 0.00 0.00 -0.450 OA\nBRANCH 14 16\nATOM 15 C UNL 1 16.534 34.010 17.384 0.00 0.00 +0.048 C \nATOM 16 C UNL 1 17.308 34.260 16.104 0.00 0.00 +0.230 C \nENDBRANCH 14 16\nENDBRANCH 10 14\nENDBRANCH 1 12\nBRANCH 4 17\nATOM 17 N UNL 1 15.752 32.789 8.598 0.00 0.00 -0.325 N \nATOM 18 H UNL 1 14.746 32.892 8.570 0.00 0.00 +0.148 HD\nBRANCH 17 19\nATOM 19 C UNL 1 16.439 32.228 7.464 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 15.666 31.043 6.931 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 16.177 30.274 5.873 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 15.457 29.185 5.379 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.223 28.870 5.933 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 13.693 29.623 6.974 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 14.412 30.710 7.474 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.533 27.826 5.456 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 17 19\nENDBRANCH 4 17\nTORSDOF 6\n",
"type": "blob"
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@@ -40516,7 +43286,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-8.2 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -40531,7 +43301,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.375 34.907 8.607 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.147 34.642 9.735 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.787 33.410 9.901 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 16.621 32.453 8.891 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 15.852 32.688 7.747 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 15.220 33.941 7.605 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 15.899 31.501 6.953 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 16.687 30.585 7.634 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.117 31.174 8.789 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 16.994 29.329 7.262 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 16.458 28.965 6.083 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 15.643 29.785 5.307 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 15.352 31.084 5.730 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 17.706 30.713 9.464 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 16.707 27.664 5.679 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 17.300 27.171 6.336 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 16.881 27.507 4.698 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_28\nREMARK 2 A between atoms: C_17 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 22.247 36.158 19.349 0.00 0.00 +0.237 N \nATOM 2 C UNL 1 22.643 36.044 17.868 0.00 0.00 +0.150 C \nATOM 3 C UNL 1 21.708 36.919 17.002 0.00 0.00 +0.157 C \nATOM 4 N UNL 1 20.290 36.628 17.268 0.00 0.00 -0.305 N \nATOM 5 C UNL 1 19.875 36.704 18.675 0.00 0.00 +0.157 C \nATOM 6 C UNL 1 20.771 35.794 19.550 0.00 0.00 +0.150 C \nATOM 7 C UNL 1 19.760 35.549 16.557 0.00 0.00 +0.122 C \nATOM 8 N UNL 1 20.594 34.575 16.157 0.00 0.00 -0.237 NA\nATOM 9 C UNL 1 20.093 33.514 15.468 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 18.734 33.373 15.154 0.00 0.00 -0.018 C \nATOM 11 C UNL 1 18.224 32.183 14.368 0.00 0.00 +0.037 C \nATOM 12 C UNL 1 18.348 32.324 12.850 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 19.744 32.062 12.269 0.00 0.00 +0.000 C \nATOM 14 C UNL 1 20.754 33.183 12.512 0.00 0.00 +0.000 C \nATOM 15 C UNL 1 21.743 32.923 13.653 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 21.131 32.529 14.996 0.00 0.00 +0.056 C \nATOM 17 C UNL 1 17.867 34.402 15.576 0.00 0.00 -0.010 C \nATOM 18 C UNL 1 18.402 35.488 16.287 0.00 0.00 +0.052 C \nATOM 19 H UNL 1 22.316 37.160 19.568 0.00 0.00 +0.203 HD\nENDROOT\nBRANCH 17 20\nATOM 20 C UNL 1 16.427 34.408 15.289 0.00 0.00 -0.017 C \nATOM 21 C UNL 1 15.491 34.149 16.307 0.00 0.00 +0.011 C \nATOM 22 C UNL 1 14.122 34.166 16.033 0.00 0.00 +0.039 C \nATOM 23 C UNL 1 13.683 34.445 14.744 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 14.588 34.708 13.723 0.00 0.00 +0.039 C \nATOM 25 C UNL 1 15.957 34.691 13.996 0.00 0.00 +0.011 C \nATOM 26 F UNL 1 12.370 34.462 14.483 0.00 0.00 -0.205 F \nENDBRANCH 17 20\nBRANCH 1 28\nATOM 27 C UNL 1 24.335 34.756 19.593 0.00 0.00 +0.060 C \nATOM 28 C UNL 1 23.194 35.468 20.295 0.00 0.00 +0.128 C \nENDBRANCH 1 28\nTORSDOF 2\n",
"type": "blob"
}
],
@@ -40552,7 +43322,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-8.1 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -40567,7 +43337,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.526 35.945 17.198 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.223 35.667 16.819 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 13.985 35.019 15.607 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 15.017 34.641 14.757 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 16.349 34.914 15.123 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 16.578 35.572 16.360 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.371 34.511 14.216 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 17.012 33.847 13.008 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 17.935 33.389 12.030 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 17.511 32.752 10.863 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 16.156 32.555 10.648 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 15.240 32.999 11.602 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 15.639 33.637 12.769 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 14.680 34.025 13.618 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 18.722 34.710 14.539 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 18.989 35.236 15.355 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.451 34.492 13.879 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.817 34.428 15.514 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.493 35.602 16.504 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 17.992 35.714 16.851 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.388 34.349 17.272 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 15.855 34.463 17.575 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 15.094 34.568 16.306 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 13.864 35.083 15.974 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.650 34.819 14.636 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.732 34.149 14.104 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.989 33.646 12.828 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 16.208 32.974 12.643 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 17.138 32.828 13.681 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.880 33.367 14.946 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 15.643 34.001 15.135 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.760 33.341 16.147 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 19.088 33.160 15.967 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 17.768 36.835 17.821 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 17.514 35.968 15.975 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 12.811 35.056 14.121 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 23.111 33.332 14.271 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 21.780 33.692 14.237 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 21.109 33.707 13.207 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 21.225 34.092 15.420 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 21.722 33.881 16.270 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 23.688 31.470 12.750 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 23.751 32.969 13.003 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 23.962 33.263 15.465 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 25.410 33.598 15.141 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
"type": "blob"
}
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@@ -40588,7 +43358,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-8.1 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -40603,7 +43373,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.621 32.706 10.939 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.269 32.513 10.712 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.343 32.981 11.644 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 15.731 33.639 12.804 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 17.101 33.847 13.055 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 18.033 33.367 12.097 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.449 34.522 14.260 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 16.417 34.965 15.137 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 16.633 35.655 16.360 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 15.573 36.053 17.174 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 14.273 35.773 16.785 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 14.048 35.098 15.586 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 15.087 34.690 14.760 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 14.763 34.048 13.632 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 18.792 34.804 14.551 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.536 34.439 13.976 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.058 35.219 15.429 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_19\nREMARK 2 A between atoms: C_2 and S_7\nREMARK 3 A between atoms: S_7 and N_10\nREMARK 4 A between atoms: N_13 and C_16\nREMARK 5 A between atoms: N_19 and C_24\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.212 34.677 14.802 0.00 0.00 +0.061 C \nATOM 2 C UNL 1 20.488 34.323 14.350 0.00 0.00 +0.148 C \nATOM 3 C UNL 1 21.467 35.309 14.275 0.00 0.00 +0.141 C \nATOM 4 N UNL 1 21.275 36.603 14.629 0.00 0.00 -0.261 NA\nATOM 5 C UNL 1 20.050 36.927 15.075 0.00 0.00 +0.112 C \nATOM 6 C UNL 1 19.010 36.017 15.176 0.00 0.00 +0.045 C \nENDROOT\nBRANCH 2 7\nATOM 7 S UNL 1 21.004 32.740 13.759 0.00 0.00 +0.079 S \nATOM 8 O UNL 1 22.448 32.804 13.676 0.00 0.00 -0.150 OA\nATOM 9 O UNL 1 20.324 31.780 14.602 0.00 0.00 -0.150 OA\nBRANCH 7 10\nATOM 10 N UNL 1 20.416 32.625 12.211 0.00 0.00 -0.169 N \nATOM 11 C UNL 1 19.099 32.293 11.939 0.00 0.00 +0.319 C \nATOM 12 O UNL 1 18.345 31.780 12.748 0.00 0.00 -0.251 OA\nATOM 13 N UNL 1 18.747 32.612 10.659 0.00 0.00 -0.296 N \nATOM 14 H UNL 1 20.974 33.094 11.513 0.00 0.00 +0.178 HD\nATOM 15 H UNL 1 19.401 33.134 10.100 0.00 0.00 +0.151 HD\nBRANCH 13 16\nATOM 16 C UNL 1 17.395 32.427 10.160 0.00 0.00 +0.068 C \nATOM 17 C UNL 1 16.652 33.760 10.125 0.00 0.00 +0.027 C \nATOM 18 C UNL 1 17.432 31.794 8.773 0.00 0.00 +0.027 C \nENDBRANCH 13 16\nENDBRANCH 7 10\nENDBRANCH 2 7\nBRANCH 1 19\nATOM 19 N UNL 1 18.119 33.800 14.985 0.00 0.00 -0.313 N \nATOM 20 H UNL 1 18.307 32.866 14.618 0.00 0.00 +0.152 HD\nBRANCH 19 24\nATOM 21 C UNL 1 14.269 35.924 17.241 0.00 0.00 +0.044 C \nATOM 22 C UNL 1 14.846 35.209 16.055 0.00 0.00 -0.049 C \nATOM 23 C UNL 1 16.183 34.785 16.057 0.00 0.00 +0.026 C \nATOM 24 C UNL 1 16.732 34.088 14.967 0.00 0.00 +0.032 C \nATOM 25 C UNL 1 15.914 33.824 13.867 0.00 0.00 +0.023 C \nATOM 26 C UNL 1 14.577 34.226 13.861 0.00 0.00 +0.002 C \nATOM 27 C UNL 1 14.044 34.911 14.951 0.00 0.00 +0.003 C \nENDBRANCH 19 24\nENDBRANCH 1 19\nTORSDOF 5\n",
"type": "blob"
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@@ -40624,7 +43394,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.3 kcal/mol"
+ "-8.1 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40639,7 +43409,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.682 36.464 15.616 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 19.687 35.579 14.923 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 18.306 35.841 15.113 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 17.286 35.103 14.533 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.633 34.026 13.702 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 16.613 33.266 13.105 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.289 33.600 13.351 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 15.038 34.677 14.184 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 16.001 35.427 14.771 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 18.998 33.718 13.476 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 19.998 34.489 14.081 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 21.167 33.898 13.635 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 20.831 32.843 12.814 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 19.538 32.715 12.704 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 21.737 32.061 12.217 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 22.526 34.269 13.935 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 22.741 32.151 12.295 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 21.401 31.305 11.629 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.449 33.502 13.353 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 16.968 33.194 11.908 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 15.471 33.485 11.664 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 14.598 33.550 12.917 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 15.138 34.564 13.887 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 16.635 34.745 13.804 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 17.186 35.354 15.017 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 16.511 35.806 16.113 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 15.040 35.616 16.222 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 14.590 34.431 15.318 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 17.487 36.417 16.938 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 17.415 37.114 18.162 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 18.580 37.625 18.737 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 19.810 37.445 18.116 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 19.916 36.748 16.908 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 18.747 36.234 16.321 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 18.549 35.464 15.175 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 19.416 34.827 14.268 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 18.941 33.906 13.382 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 14.772 35.472 13.571 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 18.561 31.438 14.610 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 17.300 32.192 14.197 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 20.884 34.992 14.298 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 21.459 36.029 14.018 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 21.439 33.825 14.707 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 21.989 33.833 16.034 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 21.079 33.071 16.977 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
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@@ -40660,7 +43430,7 @@
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@@ -40675,7 +43445,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.356 32.685 10.858 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 19.347 32.374 11.968 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 19.262 33.448 13.045 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 17.853 33.733 13.495 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.753 34.379 14.678 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.541 34.717 15.132 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.474 35.403 16.337 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.259 35.806 16.894 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.078 35.520 16.231 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.121 34.831 15.018 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 15.349 34.410 14.444 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 15.463 33.691 13.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.745 33.397 12.711 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.926 32.672 11.396 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 14.327 33.381 12.459 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 13.417 33.423 12.893 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 14.411 32.737 11.685 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.885 33.890 14.982 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 19.692 33.731 14.016 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 18.548 34.743 14.264 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 18.406 34.969 15.819 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 17.084 35.636 16.318 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 15.912 35.018 15.643 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 14.577 34.932 15.960 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.932 34.330 14.897 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.838 34.035 13.899 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.690 33.484 12.627 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.855 33.365 11.853 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 17.112 33.755 12.340 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 17.253 34.275 13.634 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 16.074 34.429 14.373 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 19.694 35.642 16.363 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 20.939 35.313 15.538 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 12.936 34.163 14.837 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 19.833 35.241 17.297 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 24.219 32.311 12.891 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 24.469 32.854 14.123 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 25.617 32.954 14.547 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 23.335 33.227 14.866 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 22.183 33.658 14.208 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 22.144 33.865 12.990 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 23.334 32.529 12.444 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 24.981 31.959 10.570 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 25.270 31.766 12.050 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 23.440 33.279 16.345 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 24.185 34.460 16.996 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 23.639 34.868 18.360 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 22.704 33.799 18.900 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 23.284 32.979 20.030 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 21.367 34.373 19.297 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 22.512 33.132 18.138 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 19.636 37.147 16.596 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 19.734 37.499 18.047 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 18.752 38.053 18.772 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
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@@ -40696,7 +43466,7 @@
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@@ -40711,7 +43481,7 @@
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.659 32.168 10.349 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.066 33.550 10.127 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 16.107 33.884 11.263 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.693 33.641 12.630 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 16.047 34.260 13.643 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.468 34.062 14.897 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.767 34.691 15.918 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 16.122 34.544 17.260 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.203 33.747 17.595 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.922 33.105 16.587 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 17.576 33.250 15.217 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 18.276 32.639 14.139 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.788 32.794 12.824 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.466 32.133 11.646 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 19.364 31.788 14.377 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.823 31.815 15.276 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.942 31.495 13.602 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 19.034 35.467 16.244 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 19.847 36.613 16.788 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 18.701 37.345 17.545 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 17.688 36.197 17.943 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 16.652 35.631 16.372 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 17.520 34.234 15.443 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 17.997 34.216 13.682 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 19.634 33.252 13.494 0.00 0.00 -0.360 NA\nATOM 9 C UNK A 0 20.263 32.725 15.196 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 21.552 32.517 15.699 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 21.789 32.736 17.104 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 20.907 33.300 18.098 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 19.591 33.675 17.811 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 19.048 33.240 16.420 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 18.738 34.913 18.642 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 18.023 34.641 17.628 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 19.183 38.145 18.707 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 18.217 37.977 16.894 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 20.323 33.731 12.938 0.00 0.00 +0.165 HD\nATOM 20 C UNK A 0 19.417 34.451 14.968 0.00 0.00 +0.225 C \nATOM 21 O UNK A 0 18.587 33.481 14.998 0.00 0.00 -0.275 OA\nENDROOT\nTORSDOF 0\nREMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 CB ALA A 1 22.675 35.421 11.698 0.00 0.00 +0.030 C \nATOM 2 CA ALA A 1 21.942 34.341 12.512 0.00 0.00 +0.095 C \nENDROOT\nBRANCH 2 3\nATOM 3 N ALA A 1 21.036 34.902 13.800 0.00 0.00 -0.310 NA\nATOM 4 H ALA A 1 21.596 35.750 13.950 0.00 0.00 +0.149 HD\nENDBRANCH 2 3\nBRANCH 2 5\nATOM 5 C ALA A 1 22.774 33.054 12.728 0.00 0.00 +0.177 C \nBRANCH 5 6\nATOM 6 O ALA A 1 22.092 31.931 12.171 0.00 0.00 -0.393 OA\nATOM 7 H ALA A 1 22.638 31.145 12.349 0.00 0.00 +0.209 HD\nENDBRANCH 5 6\nENDBRANCH 2 5\nTORSDOF 3\n",
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@@ -40732,7 +43502,7 @@
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@@ -40747,7 +43517,7 @@
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.630 27.998 5.574 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 14.205 28.526 5.582 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 13.897 29.146 6.940 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 14.951 30.115 7.407 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.556 30.953 8.392 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.442 31.816 8.902 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.013 32.645 9.930 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.860 33.574 10.535 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.172 33.680 10.106 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.626 32.858 9.073 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.773 31.912 8.446 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.165 31.056 7.378 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.250 30.100 6.890 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.626 29.138 5.786 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.481 31.065 6.894 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.078 31.851 7.105 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 18.697 30.572 6.039 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.808 32.661 14.734 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.976 33.015 16.377 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 18.114 33.284 15.311 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.102 34.911 14.981 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 19.001 36.312 14.963 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.271 36.879 14.771 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 21.218 35.896 14.694 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 22.598 35.834 14.506 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 23.155 34.530 14.421 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 22.374 33.358 14.502 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 21.020 33.499 14.705 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 20.498 34.748 14.817 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.460 37.872 14.690 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 17.763 34.407 16.768 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 18.351 35.234 16.965 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 16.940 34.137 17.998 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 18.597 35.857 18.764 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 17.580 34.815 19.201 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.646 34.902 15.287 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 17.229 34.334 13.582 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 18.752 33.261 13.240 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 15.993 33.722 12.891 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 15.946 34.132 11.123 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 16.358 32.506 10.441 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
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@@ -40783,7 +43553,7 @@
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.718 33.895 13.628 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 18.234 34.018 13.822 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 17.760 34.664 14.992 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 16.419 34.844 15.294 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 15.462 34.360 14.388 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 14.097 34.533 14.677 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 13.731 35.179 15.849 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 14.741 35.624 16.685 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 16.063 35.471 16.431 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 15.878 33.706 13.202 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 17.244 33.545 12.935 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 17.252 32.880 11.721 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 15.945 32.680 11.329 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 15.105 33.167 12.199 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 15.608 32.063 10.192 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 18.388 32.444 10.949 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 16.250 31.683 9.510 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 14.620 31.959 9.980 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.898 36.273 14.907 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.074 35.840 14.947 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 18.467 36.461 16.135 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.304 34.804 16.671 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 19.267 33.775 17.627 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.146 32.745 17.253 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 20.741 33.045 16.058 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 21.675 32.445 15.215 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 22.055 33.200 14.073 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 21.542 34.485 13.800 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 20.609 35.005 14.670 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 20.227 34.266 15.744 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.323 31.906 17.793 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 17.071 35.248 16.433 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 17.245 34.231 16.491 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 15.590 35.443 16.254 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 13.522 34.356 15.340 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 14.952 34.135 15.807 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.665 35.974 18.109 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 19.398 36.724 18.120 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 20.536 36.891 16.616 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 19.267 38.088 18.830 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 19.814 37.996 20.558 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 21.192 36.839 20.363 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.537 33.270 16.263 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 17.705 33.408 15.021 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 18.319 33.151 13.769 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 17.667 33.242 12.548 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 16.312 33.609 12.543 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 15.635 33.706 11.316 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 16.321 33.435 10.141 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 17.656 33.080 10.239 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 18.333 32.978 11.408 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 15.648 33.878 13.765 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 16.343 33.775 14.977 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 15.385 34.103 15.919 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 14.206 34.377 15.260 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 14.338 34.248 13.969 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 13.079 34.728 15.890 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 15.528 34.168 17.352 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 12.965 34.830 16.888 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 12.255 34.912 15.326 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_2 and N_16\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.711 32.083 8.747 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 16.033 33.309 8.812 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 15.918 34.035 9.942 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 16.462 33.553 11.076 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 17.133 32.337 11.097 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 17.258 31.593 9.923 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 16.281 34.340 12.179 0.00 0.00 -0.325 N \nATOM 8 H UNL 1 15.763 35.188 11.992 0.00 0.00 +0.148 HD\nENDROOT\nBRANCH 1 11\nATOM 9 C UNL 1 15.849 30.808 6.782 0.00 0.00 +0.405 C \nATOM 10 O UNL 1 14.666 30.693 7.062 0.00 0.00 -0.226 OA\nATOM 11 N UNL 1 16.819 31.441 7.499 0.00 0.00 -0.248 N \nATOM 12 H UNL 1 17.741 31.422 7.084 0.00 0.00 +0.158 HD\nBRANCH 9 13\nATOM 13 O UNL 1 16.414 30.316 5.647 0.00 0.00 -0.450 OA\nBRANCH 13 15\nATOM 14 C UNL 1 16.322 27.949 5.965 0.00 0.00 +0.048 C \nATOM 15 C UNL 1 17.232 29.157 5.851 0.00 0.00 +0.230 C \nENDBRANCH 13 15\nENDBRANCH 9 13\nENDBRANCH 1 11\nBRANCH 2 16\nATOM 16 N UNL 1 15.420 33.854 7.685 0.00 0.00 -0.342 N \nATOM 17 H UNL 1 14.789 33.231 7.201 0.00 0.00 +0.144 HD\nATOM 18 H UNL 1 15.025 34.761 7.916 0.00 0.00 +0.144 HD\nENDBRANCH 2 16\nBRANCH 7 19\nATOM 19 C UNL 1 16.988 34.201 13.426 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 16.143 34.742 14.557 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 16.746 35.329 15.681 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 15.963 35.821 16.727 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.579 35.718 16.655 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 13.961 35.132 15.556 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 14.742 34.643 14.507 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 13.830 36.188 17.660 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 7 19\nTORSDOF 6\n",
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.332 36.442 17.271 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 17.313 35.576 16.044 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 18.552 35.204 15.464 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 18.677 34.411 14.334 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.506 33.939 13.720 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.613 33.133 12.573 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 18.871 32.824 12.079 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 19.972 33.332 12.747 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 19.899 34.110 13.854 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 16.240 34.278 14.257 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 16.158 35.083 15.400 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 14.795 35.190 15.614 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 14.146 34.475 14.631 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 14.990 33.919 13.807 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 12.814 34.377 14.554 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 14.109 35.907 16.659 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 12.151 34.803 15.187 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 12.419 33.830 13.796 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.732 34.317 16.499 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 18.906 34.121 15.211 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 17.617 34.976 15.158 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 16.998 35.040 16.607 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 15.513 35.511 16.720 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 14.681 34.836 15.689 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 13.336 34.576 15.583 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.115 34.010 14.342 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.303 33.909 13.650 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.608 33.465 12.364 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.953 33.546 11.972 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 16.950 34.023 12.837 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 16.637 34.432 14.141 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 15.283 34.388 14.496 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 17.971 35.794 17.552 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 19.435 35.680 17.125 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 12.210 33.742 13.975 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 17.881 35.326 18.460 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 23.634 33.409 15.108 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 23.453 33.414 16.466 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 24.401 33.254 17.229 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 22.124 33.561 16.903 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 21.219 34.301 16.141 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 21.557 34.962 15.153 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 22.926 33.850 14.530 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 24.798 32.342 13.211 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 24.924 33.149 14.494 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 21.752 33.032 18.238 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 21.949 33.930 19.474 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 22.704 33.263 20.618 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 24.003 33.999 20.899 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 25.248 33.165 20.697 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 24.097 35.287 20.118 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 24.005 34.270 21.894 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 17.650 37.256 17.841 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 18.566 37.844 18.868 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 18.448 39.073 19.391 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.193 33.601 11.269 0.00 0.00 +0.046 C \nATOM 2 C UNL 1 16.320 33.752 12.758 0.00 0.00 -0.023 C \nATOM 3 C UNL 1 15.285 34.423 13.456 0.00 0.00 +0.033 C \nATOM 4 C UNL 1 15.277 34.630 14.827 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 16.359 34.146 15.580 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 16.368 34.347 16.970 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.308 35.016 17.564 0.00 0.00 +0.020 C \nATOM 8 C UNL 1 14.283 35.459 16.746 0.00 0.00 +0.111 C \nATOM 9 N UNL 1 14.248 35.279 15.404 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 17.422 33.468 14.934 0.00 0.00 +0.100 A \nATOM 11 C UNL 1 17.391 33.279 13.546 0.00 0.00 +0.073 A \nATOM 12 N UNL 1 18.568 32.597 13.294 0.00 0.00 -0.315 N \nATOM 13 C UNL 1 19.226 32.412 14.491 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 18.559 32.925 15.487 0.00 0.00 -0.214 NA\nATOM 15 N UNL 1 20.401 31.781 14.592 0.00 0.00 -0.329 N \nATOM 16 C UNL 1 19.076 32.131 12.028 0.00 0.00 +0.152 C \nATOM 17 H UNL 1 20.925 31.380 13.827 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 20.815 31.690 15.514 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.918 34.128 7.457 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 15.808 33.815 8.647 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 15.770 34.954 9.637 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.689 34.674 10.817 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 16.316 33.350 11.477 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 16.423 32.221 10.448 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 15.456 32.464 9.289 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 16.756 33.735 8.261 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 15.426 31.327 8.302 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 14.326 30.869 7.735 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 14.713 29.803 6.959 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 13.942 28.931 6.179 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 14.595 27.913 5.471 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 15.984 27.776 5.534 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 16.767 28.636 6.311 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 16.089 29.634 7.013 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 16.522 30.608 7.876 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 17.483 30.726 8.166 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 17.127 33.077 12.653 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 17.243 34.037 13.643 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 16.629 35.094 13.560 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 18.071 33.637 14.661 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 17.578 32.182 12.785 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 18.644 32.824 14.494 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 18.285 34.302 15.888 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 17.710 33.903 17.099 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 17.983 34.599 18.282 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 18.834 35.705 18.269 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 19.414 36.110 17.064 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 19.143 35.410 15.882 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 19.115 36.414 19.483 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 19.344 36.990 20.463 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.156 34.306 12.035 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 17.106 33.493 12.649 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.684 32.416 11.970 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 17.271 32.185 10.652 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 16.319 32.982 10.008 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 15.755 34.063 10.716 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 16.140 32.451 8.694 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 16.980 31.352 8.579 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.654 31.212 9.758 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 17.129 30.541 7.516 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 16.361 30.875 6.464 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 15.470 31.946 6.454 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 15.348 32.765 7.578 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 18.328 30.483 9.931 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 16.444 30.040 5.362 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 17.117 29.296 5.503 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 16.422 30.472 4.451 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_5 and N_19\nREMARK 2 A between atoms: C_7 and C_9\nREMARK 3 A between atoms: N_22 and C_25\nREMARK 4 A between atoms: C_28 and C_31\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.690 34.021 13.846 0.00 0.00 +0.191 C \nATOM 2 N UNL 1 14.996 34.583 14.378 0.00 0.00 +0.241 N \nATOM 3 C UNL 1 14.898 34.804 15.868 0.00 0.00 +0.133 C \nATOM 4 C UNL 1 16.187 35.404 16.411 0.00 0.00 +0.073 C \nATOM 5 C UNL 1 17.376 34.516 16.057 0.00 0.00 +0.085 C \nATOM 6 C UNL 1 17.465 34.367 14.535 0.00 0.00 +0.085 C \nATOM 7 C UNL 1 16.199 33.707 13.990 0.00 0.00 +0.133 C \nATOM 8 H UNL 1 15.111 35.488 13.909 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 7 9\nATOM 9 C UNL 1 16.275 33.423 12.513 0.00 0.00 +0.157 A \nATOM 10 N UNL 1 16.875 32.369 11.993 0.00 0.00 -0.227 NA\nATOM 11 C UNL 1 16.778 32.510 10.629 0.00 0.00 +0.089 A \nATOM 12 C UNL 1 17.282 31.701 9.602 0.00 0.00 +0.030 C \nATOM 13 C UNL 1 17.033 32.074 8.275 0.00 0.00 +0.002 C \nATOM 14 C UNL 1 16.294 33.222 7.980 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 15.788 34.043 8.994 0.00 0.00 +0.028 C \nATOM 16 C UNL 1 16.058 33.652 10.307 0.00 0.00 +0.066 A \nATOM 17 N UNL 1 15.754 34.221 11.518 0.00 0.00 -0.337 N \nATOM 18 H UNL 1 15.266 35.099 11.628 0.00 0.00 +0.167 HD\nENDBRANCH 7 9\nBRANCH 5 19\nATOM 19 N UNL 1 18.621 35.019 16.616 0.00 0.00 -0.296 N \nATOM 20 C UNL 1 19.534 34.133 17.162 0.00 0.00 +0.304 C \nATOM 21 O UNL 1 19.324 32.927 17.133 0.00 0.00 -0.253 OA\nATOM 22 N UNL 1 20.633 34.772 17.678 0.00 0.00 -0.269 N \nATOM 23 H UNL 1 18.855 36.001 16.579 0.00 0.00 +0.151 HD\nATOM 24 H UNL 1 20.571 35.772 17.793 0.00 0.00 +0.156 HD\nBRANCH 22 25\nATOM 25 C UNL 1 21.812 34.166 18.164 0.00 0.00 +0.035 C \nATOM 26 C UNL 1 22.002 33.793 19.497 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 23.192 33.177 19.904 0.00 0.00 +0.020 C \nATOM 28 C UNL 1 24.209 32.928 18.980 0.00 0.00 +0.052 C \nATOM 29 C UNL 1 24.026 33.297 17.645 0.00 0.00 +0.020 C \nATOM 30 C UNL 1 22.834 33.908 17.239 0.00 0.00 +0.024 C \nBRANCH 28 31\nATOM 31 C UNL 1 25.424 32.294 19.398 0.00 0.00 +0.099 C \nATOM 32 N UNL 1 26.405 31.778 19.738 0.00 0.00 -0.191 NA\nENDBRANCH 28 31\nENDBRANCH 22 25\nENDBRANCH 5 19\nTORSDOF 4\n",
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@@ -40948,7 +43718,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.9 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40963,7 +43733,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.889 35.414 16.083 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.988 35.766 16.849 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.268 35.435 16.405 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.483 34.757 15.211 0.00 0.00 +0.073 A \nATOM 5 C UNL 1 15.379 34.389 14.417 0.00 0.00 +0.022 A \nATOM 6 C UNL 1 14.082 34.734 14.879 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 15.651 33.691 13.205 0.00 0.00 +0.043 A \nATOM 8 C UNL 1 17.001 33.412 12.846 0.00 0.00 +0.022 A \nATOM 9 C UNL 1 17.402 32.734 11.663 0.00 0.00 +0.012 C \nATOM 10 C UNL 1 18.746 32.489 11.379 0.00 0.00 +0.001 C \nATOM 11 C UNL 1 19.719 32.918 12.266 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 19.339 33.586 13.430 0.00 0.00 +0.028 C \nATOM 13 C UNL 1 18.007 33.840 13.735 0.00 0.00 +0.073 A \nATOM 14 N UNL 1 17.750 34.488 14.877 0.00 0.00 -0.247 NA\nENDROOT\nBRANCH 7 15\nATOM 15 N UNL 1 14.603 33.336 12.343 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 13.641 33.465 12.614 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 14.773 32.784 11.518 0.00 0.00 +0.142 HD\nENDBRANCH 7 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.651 32.754 11.597 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 14.278 33.001 12.316 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 14.423 33.673 13.700 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 15.341 34.921 13.647 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 15.522 35.566 15.063 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 16.448 34.745 15.881 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 16.635 34.584 17.233 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 17.713 33.738 17.405 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 18.214 33.349 16.180 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 19.290 32.537 15.821 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 19.539 32.380 14.448 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 18.735 32.990 13.475 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 17.639 33.775 13.851 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 17.422 33.960 15.224 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 16.662 34.464 12.963 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 16.515 34.014 11.697 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 13.072 33.902 14.307 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 14.916 32.994 14.297 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 18.102 33.462 18.298 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 16.415 31.721 8.141 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 16.607 31.932 9.490 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 17.650 31.657 10.077 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 15.541 32.430 10.187 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 14.781 32.833 9.664 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 17.012 30.126 6.348 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 17.517 31.120 7.383 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 15.211 32.053 7.371 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 15.132 33.541 7.067 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
"type": "blob"
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@@ -40984,7 +43754,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.1 kcal/mol"
+ "-7.9 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -40999,7 +43769,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.594 32.550 12.864 0.00 0.00 +0.148 C \nATOM 2 C UNL 1 21.698 34.089 12.882 0.00 0.00 +0.157 C \nATOM 3 N UNL 1 21.318 34.636 14.196 0.00 0.00 -0.305 N \nATOM 4 C UNL 1 22.042 34.082 15.349 0.00 0.00 +0.157 C \nATOM 5 C UNL 1 21.912 32.542 15.368 0.00 0.00 +0.148 C \nATOM 6 N UNL 1 22.350 31.961 14.040 0.00 0.00 +0.229 N \nATOM 7 C UNL 1 19.949 34.837 14.387 0.00 0.00 +0.122 C \nATOM 8 N UNL 1 19.089 34.092 13.662 0.00 0.00 -0.232 NA\nATOM 9 C UNL 1 17.762 34.269 13.830 0.00 0.00 +0.073 C \nATOM 10 C UNL 1 16.867 33.520 13.074 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 15.484 33.666 13.212 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 14.971 34.580 14.126 0.00 0.00 +0.001 C \nATOM 13 C UNL 1 15.844 35.343 14.897 0.00 0.00 +0.010 C \nATOM 14 C UNL 1 17.234 35.192 14.753 0.00 0.00 +0.001 C \nATOM 15 C UNL 1 18.136 35.946 15.504 0.00 0.00 +0.013 C \nATOM 16 C UNL 1 19.503 35.767 15.320 0.00 0.00 +0.044 C \nATOM 17 H UNL 1 22.209 30.943 14.050 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 23.356 32.125 13.910 0.00 0.00 +0.201 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_20 and CA_25\nREMARK 2 A between atoms: CA_25 and C_26\nREMARK 3 A between atoms: C_26 and O_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNK A 0 19.608 34.332 14.076 0.00 0.00 +0.143 C \nATOM 2 C UNK A 0 18.500 35.206 14.604 0.00 0.00 +0.148 C \nATOM 3 N UNK A 0 17.310 34.487 13.905 0.00 0.00 +0.240 N \nATOM 4 C UNK A 0 17.788 32.986 13.748 0.00 0.00 +0.100 C \nATOM 5 C UNK A 0 19.089 32.836 12.284 0.00 0.00 +0.096 C \nATOM 6 C UNK A 0 20.854 33.097 12.905 0.00 0.00 -0.016 C \nATOM 7 C UNK A 0 22.064 34.320 12.296 0.00 0.00 +0.087 C \nATOM 8 N UNK A 0 23.126 34.922 13.763 0.00 0.00 -0.360 N \nATOM 9 C UNK A 0 22.512 34.130 15.364 0.00 0.00 +0.047 C \nATOM 10 C UNK A 0 22.513 34.570 16.692 0.00 0.00 +0.026 C \nATOM 11 C UNK A 0 21.476 34.103 17.576 0.00 0.00 +0.003 C \nATOM 12 C UNK A 0 20.295 33.332 17.266 0.00 0.00 +0.009 C \nATOM 13 C UNK A 0 20.024 32.855 15.981 0.00 0.00 -0.007 C \nATOM 14 C UNK A 0 21.176 32.998 14.945 0.00 0.00 +0.011 C \nATOM 15 C UNK A 0 18.444 32.566 15.371 0.00 0.00 +0.005 C \nATOM 16 C UNK A 0 19.208 32.493 14.359 0.00 0.00 +0.000 C \nATOM 17 C UNK A 0 16.023 34.630 14.642 0.00 0.00 +0.191 C \nATOM 18 H UNK A 0 17.190 34.876 12.961 0.00 0.00 +0.204 HD\nATOM 19 H UNK A 0 23.213 35.924 13.814 0.00 0.00 +0.165 HD\nATOM 20 N ALA A 1 22.559 33.163 13.603 0.00 0.00 -0.310 N \nATOM 21 C UNK A 0 21.245 34.679 14.007 0.00 0.00 +0.225 C \nATOM 22 O UNK A 0 21.370 35.937 14.187 0.00 0.00 -0.275 OA\nATOM 23 H ALA A 1 22.247 32.192 13.477 0.00 0.00 +0.149 HD\nENDROOT\nBRANCH 20 25\nATOM 24 CB ALA A 1 25.074 32.930 14.599 0.00 0.00 +0.030 C \nATOM 25 CA ALA A 1 24.180 32.843 13.350 0.00 0.00 +0.095 C \nBRANCH 25 26\nATOM 26 C ALA A 1 24.540 31.668 12.408 0.00 0.00 +0.177 C \nBRANCH 26 27\nATOM 27 O ALA A 1 23.651 30.574 12.629 0.00 0.00 -0.393 OA\nATOM 28 H ALA A 1 23.927 29.853 12.036 0.00 0.00 +0.209 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 20 25\nTORSDOF 3\n",
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@@ -41020,7 +43790,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.0 kcal/mol"
+ "-7.9 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41035,7 +43805,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.304 33.275 13.182 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 19.370 33.962 13.871 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 18.076 33.868 13.501 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 17.104 34.558 14.216 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 15.751 34.495 13.870 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 15.349 33.726 12.784 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.301 33.025 12.049 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 17.660 33.093 12.402 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 18.639 32.397 11.691 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 19.970 32.489 12.085 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 21.777 35.277 15.201 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 21.840 33.749 14.999 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 21.637 33.387 13.585 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 22.533 34.045 12.625 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 22.450 35.580 12.787 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 22.711 35.972 14.227 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 22.601 36.989 14.329 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 23.682 35.747 14.473 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 4 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_22\nREMARK 2 A between atoms: C_18 and C_23\nREMARK 3 A between atoms: C_23 and O_25\nREMARK 4 A between atoms: O_25 and C_26\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.131 34.611 16.980 0.00 0.00 +0.040 C \nATOM 2 C UNL 1 15.833 34.394 17.808 0.00 0.00 +0.022 C \nATOM 3 C UNL 1 14.598 34.021 16.961 0.00 0.00 +0.052 C \nATOM 4 C UNL 1 14.678 34.386 15.479 0.00 0.00 +0.132 C \nATOM 5 N UNL 1 15.901 33.777 14.849 0.00 0.00 +0.243 N \nATOM 6 C UNL 1 17.050 33.594 15.811 0.00 0.00 +0.123 C \nATOM 7 C UNL 1 18.333 33.450 15.117 0.00 0.00 +0.077 A \nATOM 8 C UNL 1 18.562 33.400 13.773 0.00 0.00 -0.008 A \nATOM 9 C UNL 1 17.444 33.600 12.812 0.00 0.00 +0.088 C \nATOM 10 C UNL 1 16.292 34.392 13.495 0.00 0.00 +0.136 C \nATOM 11 C UNL 1 19.943 33.123 13.630 0.00 0.00 +0.004 A \nATOM 12 C UNL 1 20.770 32.893 12.511 0.00 0.00 +0.010 C \nATOM 13 C UNL 1 22.128 32.625 12.697 0.00 0.00 +0.001 C \nATOM 14 C UNL 1 22.671 32.591 13.975 0.00 0.00 +0.002 C \nATOM 15 C UNL 1 21.880 32.826 15.104 0.00 0.00 +0.027 C \nATOM 16 C UNL 1 20.512 33.093 14.925 0.00 0.00 +0.055 A \nATOM 17 N UNL 1 19.505 33.415 15.836 0.00 0.00 -0.302 N \nATOM 18 C UNL 1 19.495 33.707 17.214 0.00 0.00 +0.129 C \nATOM 19 C UNL 1 18.394 34.258 17.799 0.00 0.00 +0.019 C \nATOM 20 H UNL 1 15.637 32.812 14.609 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 22\nATOM 21 C UNL 1 17.783 37.103 17.648 0.00 0.00 +0.005 C \nATOM 22 C UNL 1 17.217 36.132 16.615 0.00 0.00 +0.013 C \nENDBRANCH 1 22\nBRANCH 18 23\nATOM 23 C UNL 1 20.686 33.577 18.078 0.00 0.00 +0.356 C \nATOM 24 O UNL 1 21.225 32.518 18.342 0.00 0.00 -0.243 OA\nBRANCH 23 25\nATOM 25 O UNL 1 21.062 34.816 18.480 0.00 0.00 -0.460 OA\nBRANCH 25 26\nATOM 26 C UNL 1 22.074 35.445 17.678 0.00 0.00 +0.229 C \nATOM 27 C UNL 1 21.479 36.612 16.913 0.00 0.00 +0.048 C \nENDBRANCH 25 26\nENDBRANCH 23 25\nENDBRANCH 18 23\nTORSDOF 4\n",
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"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-7.0 kcal/mol"
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"sele": "@0",
@@ -41071,7 +43841,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.430 32.668 12.059 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 16.648 33.678 11.624 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 16.347 33.761 10.312 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 15.527 34.787 9.858 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 15.188 34.916 8.507 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 15.675 34.003 7.580 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.500 32.965 8.007 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 16.837 32.840 9.366 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 17.654 31.809 9.828 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 17.952 31.722 11.184 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 17.029 34.762 14.447 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 16.749 33.252 14.312 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 17.727 32.603 13.422 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 19.139 32.811 13.770 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 19.446 34.323 13.869 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 18.481 34.994 14.824 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 18.663 36.005 14.838 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 18.642 34.644 15.776 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_23\nREMARK 2 A between atoms: N_15 and C_35\nREMARK 3 A between atoms: N_19 and C_27\nREMARK 4 A between atoms: N_22 and C_28\nREMARK 5 A between atoms: C_28 and C_29\nREMARK 6 A between atoms: C_29 and C_30\nREMARK 7 A between atoms: C_30 and N_31\nREMARK 8 A between atoms: C_35 and C_36\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.123 35.720 17.360 0.00 0.00 +0.122 C \nATOM 2 C UNL 1 19.357 35.745 16.434 0.00 0.00 +0.031 C \nATOM 3 C UNL 1 19.044 35.371 14.965 0.00 0.00 +0.069 C \nATOM 4 C UNL 1 17.954 34.231 14.959 0.00 0.00 +0.077 C \nATOM 5 C UNL 1 17.772 33.436 13.627 0.00 0.00 +0.092 C \nATOM 6 C UNL 1 19.098 33.067 13.065 0.00 0.00 -0.017 C \nATOM 7 C UNL 1 19.515 32.092 12.190 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.859 32.298 11.944 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 21.307 33.398 12.645 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 22.542 34.041 12.697 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 22.623 35.183 13.509 0.00 0.00 +0.002 C \nATOM 12 C UNL 1 21.526 35.643 14.254 0.00 0.00 +0.005 C \nATOM 13 C UNL 1 20.299 34.967 14.221 0.00 0.00 -0.030 C \nATOM 14 C UNL 1 20.225 33.857 13.370 0.00 0.00 +0.007 C \nATOM 15 N UNL 1 16.629 34.781 15.550 0.00 0.00 +0.241 N \nATOM 16 C UNL 1 16.841 35.917 16.551 0.00 0.00 +0.144 C \nATOM 17 H UNL 1 21.427 31.748 11.311 0.00 0.00 +0.165 HD\nATOM 18 H UNL 1 16.217 33.994 16.064 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 23\nATOM 19 N UNL 1 19.137 39.223 19.525 0.00 0.00 -0.299 N \nATOM 20 C UNL 1 19.363 38.028 20.153 0.00 0.00 +0.309 C \nATOM 21 O UNL 1 19.752 37.990 21.317 0.00 0.00 -0.252 OA\nATOM 22 N UNL 1 19.171 36.879 19.365 0.00 0.00 -0.225 N \nATOM 23 C UNL 1 18.219 36.887 18.344 0.00 0.00 +0.231 C \nATOM 24 O UNL 1 17.423 37.818 18.176 0.00 0.00 -0.275 OA\nATOM 25 H UNL 1 18.530 39.228 18.710 0.00 0.00 +0.150 HD\nBRANCH 19 27\nATOM 26 C UNL 1 18.356 41.547 19.812 0.00 0.00 +0.024 C \nATOM 27 C UNL 1 19.405 40.501 20.160 0.00 0.00 +0.102 C \nENDBRANCH 19 27\nBRANCH 22 28\nATOM 28 C UNL 1 19.896 35.637 19.728 0.00 0.00 +0.123 C \nBRANCH 28 29\nATOM 29 C UNL 1 21.396 35.528 19.393 0.00 0.00 +0.070 C \nBRANCH 29 30\nATOM 30 C UNL 1 21.981 34.134 19.590 0.00 0.00 +0.132 C \nBRANCH 30 31\nATOM 31 N UNL 1 22.371 33.527 18.252 0.00 0.00 +0.231 N \nATOM 32 C UNL 1 21.215 32.938 17.476 0.00 0.00 +0.190 C \nATOM 33 C UNL 1 23.139 34.503 17.397 0.00 0.00 +0.190 C \nATOM 34 H UNL 1 23.014 32.743 18.436 0.00 0.00 +0.203 HD\nENDBRANCH 30 31\nENDBRANCH 29 30\nENDBRANCH 28 29\nENDBRANCH 22 28\nENDBRANCH 1 23\nBRANCH 15 35\nATOM 35 C UNL 1 15.552 35.192 14.553 0.00 0.00 +0.159 C \nBRANCH 35 36\nATOM 36 C UNL 1 14.173 35.014 15.104 0.00 0.00 +0.015 C \nATOM 37 C UNL 1 13.213 34.262 14.546 0.00 0.00 +0.009 C \nENDBRANCH 35 36\nENDBRANCH 15 35\nTORSDOF 8\n",
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@@ -41092,7 +43862,7 @@
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+ "-7.9 kcal/mol"
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@@ -41107,7 +43877,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.994 35.133 15.265 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.545 34.227 14.211 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 17.408 33.185 14.525 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 17.929 32.342 13.598 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 17.565 32.561 12.320 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 18.049 31.744 11.304 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 17.703 31.927 9.959 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.833 32.981 9.666 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 16.317 33.827 10.646 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.685 33.619 11.997 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 16.168 34.461 12.934 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 15.490 34.772 10.065 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 15.491 34.522 8.782 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 16.290 33.446 8.485 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 16.547 32.866 7.192 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 14.809 35.216 7.867 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 14.246 35.996 8.193 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 14.791 35.046 6.872 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.705 35.239 19.027 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.941 34.824 18.207 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 19.728 33.451 17.593 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 18.554 33.447 16.611 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 18.955 33.885 15.157 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 17.723 33.932 14.316 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 17.498 33.850 12.963 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 16.134 33.945 12.760 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 15.475 34.079 13.966 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 14.124 34.204 14.312 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 13.816 34.338 15.678 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 14.810 34.351 16.665 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.152 34.220 16.306 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 16.459 34.083 14.940 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.355 34.244 17.165 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.420 35.024 18.261 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 15.489 33.915 11.465 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 20.992 32.844 17.070 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 19.418 32.839 18.358 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 19.587 36.957 20.536 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 18.864 36.717 19.389 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 18.394 37.612 18.694 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 20.009 36.192 21.049 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 19.794 38.318 21.045 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 18.773 39.451 23.115 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 19.627 38.315 22.575 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 21.156 38.876 20.585 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 21.287 38.848 19.169 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 21.324 37.914 18.895 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
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@@ -41143,7 +43913,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.094 29.939 6.339 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.711 31.115 7.180 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 15.830 32.084 6.718 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 15.458 33.164 7.449 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 15.993 33.264 8.681 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 15.666 34.338 9.501 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 16.193 34.491 10.790 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 17.077 33.504 11.236 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 17.436 32.407 10.454 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.889 32.279 9.155 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 17.257 31.198 8.413 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 18.321 31.602 11.150 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 18.501 32.174 12.312 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 17.771 33.331 12.416 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 17.704 34.237 13.535 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 19.292 31.704 13.281 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 19.790 30.837 13.101 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 19.450 32.123 14.185 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.528 33.300 17.233 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.280 33.187 15.838 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 19.575 32.950 15.371 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.912 34.849 15.479 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 20.219 35.989 14.718 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.150 37.136 15.527 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 19.774 36.794 16.796 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 19.552 37.462 18.000 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 19.234 36.642 19.115 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 19.157 35.236 19.033 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 19.372 34.648 17.807 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 19.646 35.440 16.737 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.358 38.079 15.219 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 18.511 33.742 14.049 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 18.315 34.756 14.051 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 17.533 33.096 13.105 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 15.315 34.087 13.730 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 16.454 34.099 12.722 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.311 33.559 13.406 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 21.647 33.359 14.726 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 21.343 33.239 16.592 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 22.530 32.182 14.264 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 24.090 32.761 13.538 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 24.354 31.437 12.333 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
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@@ -41164,7 +43934,7 @@
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@@ -41179,7 +43949,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.984 32.057 11.318 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 16.984 32.741 12.037 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.289 33.632 13.076 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 16.328 34.271 13.787 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 16.731 35.107 14.769 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 18.062 35.311 15.049 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 19.041 34.687 14.358 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 18.653 33.854 13.379 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 19.635 33.206 12.642 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 19.316 32.318 11.612 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 15.152 32.413 11.584 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 17.596 31.177 10.261 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 17.790 30.189 10.407 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 16.571 32.722 7.164 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 16.142 31.258 6.983 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 16.538 30.603 8.232 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 17.114 31.524 9.060 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 17.175 32.766 8.499 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 16.381 29.636 8.485 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 17.730 33.521 8.878 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 20.132 32.914 16.043 0.00 0.00 +0.069 C \nATOM 2 C UNL 1 18.696 33.564 17.060 0.00 0.00 +0.076 C \nATOM 3 C UNL 1 18.334 33.416 15.718 0.00 0.00 +0.092 C \nATOM 4 C UNL 1 19.328 35.023 15.319 0.00 0.00 -0.017 C \nATOM 5 C UNL 1 19.206 36.340 14.846 0.00 0.00 +0.087 C \nATOM 6 N UNL 1 20.431 37.014 14.991 0.00 0.00 -0.360 N \nATOM 7 C UNL 1 21.353 36.192 15.577 0.00 0.00 +0.047 C \nATOM 8 C UNL 1 22.692 36.282 15.956 0.00 0.00 +0.026 C \nATOM 9 C UNL 1 23.269 35.095 16.482 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 22.553 33.887 16.607 0.00 0.00 +0.005 C \nATOM 11 C UNL 1 21.229 33.879 16.228 0.00 0.00 -0.030 C \nATOM 12 C UNL 1 20.674 35.025 15.754 0.00 0.00 +0.007 C \nATOM 13 H UNL 1 20.610 37.966 14.695 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 3 14\nATOM 14 N UNL 1 17.393 34.821 16.524 0.00 0.00 +0.238 NA\nATOM 15 H UNL 1 17.829 35.745 16.673 0.00 0.00 +0.204 HD\nBRANCH 14 16\nATOM 16 C UNL 1 16.149 34.768 17.369 0.00 0.00 +0.131 C \nBRANCH 16 18\nATOM 17 C UNL 1 14.059 36.122 17.065 0.00 0.00 +0.009 C \nATOM 18 C UNL 1 15.529 36.156 17.453 0.00 0.00 +0.047 C \nENDBRANCH 16 18\nENDBRANCH 14 16\nENDBRANCH 3 14\nTORSDOF 3\nREMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_7\nREMARK 2 A between atoms: N_1 and C_19\nREMARK 3 A between atoms: C_3 and C_22\nREMARK 4 A between atoms: C_19 and C_21\nREMARK 5 A between atoms: C_22 and S_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.961 34.742 14.655 0.00 0.00 +0.136 C \nATOM 2 C UNL 1 18.199 33.835 13.555 0.00 0.00 +0.045 C \nATOM 3 C UNL 1 19.757 32.940 14.154 0.00 0.00 +0.023 C \nENDROOT\nBRANCH 2 4\nATOM 4 C UNL 1 17.366 32.891 12.663 0.00 0.00 +0.077 C \nBRANCH 4 5\nATOM 5 S UNL 1 17.587 33.270 10.901 0.00 0.00 -0.164 S \nATOM 6 C UNL 1 16.008 34.098 10.586 0.00 0.00 +0.084 C \nENDBRANCH 4 5\nENDBRANCH 2 4\nTORSDOF 2\n",
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"labelText": [
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@@ -41215,7 +43985,7 @@
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.541 32.898 7.195 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 16.321 33.424 8.519 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 16.874 32.951 9.688 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 16.354 33.788 10.673 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 16.725 33.578 12.024 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.610 32.531 12.355 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 18.098 31.726 11.333 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 17.753 31.905 9.984 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 17.985 32.300 13.626 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 17.485 33.108 14.590 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 16.613 34.158 14.356 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.224 34.398 13.047 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 15.517 34.732 10.118 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 15.515 34.493 8.831 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 14.829 35.181 7.914 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 14.257 35.958 8.227 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 14.825 34.998 6.920 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.953 32.538 11.331 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.086 31.908 10.884 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 18.959 31.730 11.843 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.373 32.285 12.965 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.110 32.814 12.675 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.340 33.445 13.692 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 15.060 34.019 13.512 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 14.394 34.611 14.584 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.993 34.634 15.836 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 16.258 34.068 16.014 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.951 33.471 14.971 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 18.159 32.958 15.245 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.890 32.365 14.276 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 20.124 31.861 14.616 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 20.427 31.955 15.571 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.680 31.417 13.900 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 15.838 32.853 10.458 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.802 33.108 7.961 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.208 33.770 9.279 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 15.545 35.145 9.392 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
"type": "blob"
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@@ -41236,7 +44006,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.9 kcal/mol"
+ "-7.8 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41251,7 +44021,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.876 34.400 14.602 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.314 34.473 15.922 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.640 34.189 16.261 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 16.509 33.826 15.224 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 16.100 33.742 13.890 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 14.757 34.038 13.577 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 17.235 33.338 13.122 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 18.294 33.187 14.007 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.843 33.489 15.260 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 19.553 32.806 13.723 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 19.766 32.562 12.417 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 18.788 32.667 11.431 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 17.494 33.068 11.770 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 18.422 33.454 16.084 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 21.035 32.121 12.082 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 21.645 32.076 12.890 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 21.436 32.469 11.225 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 22.174 33.323 16.961 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 20.797 33.296 16.927 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 21.009 34.723 15.609 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 20.748 36.066 15.307 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 21.384 36.428 14.107 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 22.072 35.365 13.589 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 22.814 35.108 12.435 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 23.237 33.763 12.243 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 22.923 32.725 13.145 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 22.240 33.060 14.289 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 21.855 34.368 14.492 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 21.486 32.482 15.397 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 21.302 37.336 13.666 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 21.299 34.739 17.914 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 22.088 36.011 17.975 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 21.258 34.427 18.897 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 20.005 32.555 15.050 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 18.845 33.624 16.059 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 19.420 34.876 17.400 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 16.516 34.491 15.592 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.840 34.377 15.177 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 18.240 34.923 14.145 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 14.709 34.264 13.904 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 15.595 35.210 14.701 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 15.983 34.083 16.901 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 15.075 35.122 17.543 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
"type": "blob"
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@@ -41272,7 +44042,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.9 kcal/mol"
+ "-7.8 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41287,7 +44057,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_11 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.883 35.391 16.131 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.901 35.827 16.975 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 16.246 35.637 16.645 0.00 0.00 +0.026 C \nATOM 4 C UNL 1 16.530 34.991 15.435 0.00 0.00 +0.049 A \nATOM 5 C UNL 1 15.531 34.541 14.566 0.00 0.00 +0.009 A \nATOM 6 C UNL 1 14.183 34.749 14.923 0.00 0.00 +0.010 C \nATOM 7 C UNL 1 16.182 33.929 13.451 0.00 0.00 +0.027 A \nATOM 8 C UNL 1 17.549 34.022 13.674 0.00 0.00 +0.141 A \nATOM 9 N UNL 1 17.739 34.666 14.863 0.00 0.00 -0.339 N \nATOM 10 N UNL 1 18.542 33.566 12.889 0.00 0.00 -0.215 NA\nATOM 11 C UNL 1 18.114 32.965 11.765 0.00 0.00 +0.118 C \nATOM 12 C UNL 1 16.773 32.799 11.427 0.00 0.00 +0.044 C \nATOM 13 C UNL 1 15.773 33.290 12.271 0.00 0.00 +0.015 C \nATOM 14 H UNL 1 18.648 34.857 15.254 0.00 0.00 +0.167 HD\nENDROOT\nBRANCH 11 15\nATOM 15 N UNL 1 19.099 32.437 10.946 0.00 0.00 -0.343 N \nATOM 16 H UNL 1 20.027 32.615 11.310 0.00 0.00 +0.144 HD\nATOM 17 H UNL 1 18.972 32.528 9.950 0.00 0.00 +0.144 HD\nENDBRANCH 11 15\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 5 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_21\nREMARK 2 A between atoms: N_20 and CA_24\nREMARK 3 A between atoms: CA_24 and C_26\nREMARK 4 A between atoms: CA_24 and C_27\nREMARK 5 A between atoms: C_27 and O_28\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.054 33.710 14.831 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 15.278 34.976 15.242 0.00 0.00 +0.148 C \nATOM 3 N UNL 1 15.190 35.071 16.755 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 16.574 35.202 17.395 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 17.089 36.684 17.468 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 18.476 36.680 18.021 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 19.241 37.625 18.662 0.00 0.00 +0.090 C \nATOM 8 N UNL 1 20.460 37.044 18.957 0.00 0.00 -0.349 N \nATOM 9 C UNL 1 20.488 35.733 18.523 0.00 0.00 +0.050 C \nATOM 10 C UNL 1 21.458 34.726 18.578 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 21.133 33.483 18.005 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 19.894 33.248 17.396 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 18.935 34.261 17.352 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.259 35.503 17.929 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.592 34.249 16.735 0.00 0.00 +0.005 C \nATOM 16 C UNL 1 17.345 33.563 15.602 0.00 0.00 +0.000 C \nATOM 17 C UNL 1 21.555 37.717 19.622 0.00 0.00 +0.149 C \nATOM 18 C UNL 1 14.181 36.075 17.219 0.00 0.00 +0.191 C \nATOM 19 H UNL 1 14.848 34.158 17.081 0.00 0.00 +0.204 HD\nENDROOT\nBRANCH 1 21\nATOM 20 N UNL 1 17.361 33.001 12.883 0.00 0.00 -0.310 N \nATOM 21 C UNL 1 16.341 33.810 13.331 0.00 0.00 +0.225 C \nATOM 22 O UNL 1 15.695 34.546 12.592 0.00 0.00 -0.275 OA\nATOM 23 H UNL 1 17.831 32.363 13.515 0.00 0.00 +0.149 HD\nBRANCH 20 24\nATOM 24 CA UNL 1 17.790 33.010 11.479 0.00 0.00 +0.098 C \nBRANCH 24 26\nATOM 25 C UNL 1 20.077 32.967 12.656 0.00 0.00 +0.006 C \nATOM 26 C UNL 1 19.281 32.630 11.405 0.00 0.00 +0.021 C \nENDBRANCH 24 26\nBRANCH 24 27\nATOM 27 C UNL 1 16.889 32.098 10.622 0.00 0.00 +0.178 C \nBRANCH 27 28\nATOM 28 O UNL 1 17.638 31.089 9.958 0.00 0.00 -0.393 OA\nATOM 29 H UNL 1 18.205 31.528 9.298 0.00 0.00 +0.209 HD\nENDBRANCH 27 28\nENDBRANCH 24 27\nENDBRANCH 20 24\nENDBRANCH 1 21\nTORSDOF 5\n",
"type": "blob"
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@@ -41308,7 +44078,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.9 kcal/mol"
+ "-7.8 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41323,7 +44093,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.946 32.506 10.586 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 16.947 33.394 11.031 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 16.657 33.569 12.393 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 15.678 34.402 12.822 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 15.479 34.494 14.156 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 16.233 33.775 15.054 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 17.213 32.937 14.654 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 17.421 32.837 13.332 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 18.429 31.992 12.888 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 18.705 31.825 11.529 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 15.945 34.368 9.722 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 18.196 32.394 9.183 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 18.808 33.099 8.780 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 16.171 30.025 7.362 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 17.275 30.386 6.357 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 18.122 31.344 7.071 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 17.623 31.536 8.328 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 16.489 30.812 8.557 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 18.971 31.775 6.730 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 15.881 30.967 9.349 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.032 32.865 10.082 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.075 32.555 10.199 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.891 32.647 11.160 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 16.553 33.087 12.476 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 15.358 33.774 12.809 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 15.091 34.180 14.117 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 16.015 33.911 15.115 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 17.198 33.245 14.810 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 17.482 32.835 13.517 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 18.652 32.214 13.317 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 18.949 31.818 12.068 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 18.122 32.012 10.981 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 15.700 34.409 16.729 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 16.286 33.826 9.015 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 15.416 35.062 9.244 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 15.974 33.129 7.674 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 15.604 31.650 7.819 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.726 30.756 7.291 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 16.226 29.331 7.094 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.458 28.825 7.960 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 14.268 28.563 5.742 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 14.709 29.299 6.994 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 16.908 28.623 5.928 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 18.162 29.382 5.536 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
"type": "blob"
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@@ -41344,7 +44114,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.8 kcal/mol"
+ "-7.7 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41359,7 +44129,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_3 and C_7\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.718 34.913 14.779 0.00 0.00 +0.122 C \nATOM 2 N UNL 1 17.887 34.383 14.367 0.00 0.00 -0.232 NA\nATOM 3 C UNL 1 17.918 33.662 13.226 0.00 0.00 +0.073 C \nATOM 4 C UNL 1 19.122 33.127 12.783 0.00 0.00 +0.028 C \nATOM 5 C UNL 1 19.205 32.372 11.609 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 18.062 32.140 10.853 0.00 0.00 +0.001 C \nATOM 7 C UNL 1 16.842 32.663 11.273 0.00 0.00 +0.010 C \nATOM 8 C UNL 1 16.766 33.422 12.454 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 15.561 33.967 12.900 0.00 0.00 +0.013 C \nATOM 10 C UNL 1 15.537 34.718 14.071 0.00 0.00 +0.044 C \nENDROOT\nBRANCH 1 13\nATOM 11 C UNL 1 18.889 35.268 17.106 0.00 0.00 +0.148 C \nATOM 12 C UNL 1 18.001 36.264 16.332 0.00 0.00 +0.157 C \nATOM 13 N UNL 1 16.711 35.656 15.962 0.00 0.00 -0.305 N \nATOM 14 C UNL 1 15.942 35.071 17.070 0.00 0.00 +0.157 C \nATOM 15 C UNL 1 16.807 34.039 17.830 0.00 0.00 +0.148 C \nATOM 16 N UNL 1 18.115 34.667 18.264 0.00 0.00 +0.229 N \nATOM 17 H UNL 1 18.699 33.955 18.721 0.00 0.00 +0.201 HD\nATOM 18 H UNL 1 17.929 35.398 18.961 0.00 0.00 +0.201 HD\nENDBRANCH 1 13\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.379 34.115 15.711 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 19.057 32.838 14.855 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 17.627 32.837 14.272 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 17.286 34.173 13.563 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 15.818 34.182 13.018 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 14.862 34.369 14.137 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 13.537 34.053 14.319 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 13.155 34.552 15.549 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 14.222 35.176 16.160 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 14.344 35.848 17.377 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 15.600 36.403 17.675 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 16.691 36.276 16.804 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 16.561 35.570 15.603 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 15.294 35.054 15.293 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 17.612 35.304 14.581 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 18.908 35.364 14.962 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 17.406 31.605 13.446 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 16.988 32.783 15.078 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 12.222 34.495 15.938 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 22.671 34.140 17.371 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 21.339 33.850 17.165 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 20.663 33.182 17.945 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 20.788 34.304 15.999 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 21.290 35.007 15.483 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 24.642 32.945 18.267 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 23.306 33.603 18.579 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 23.528 34.953 16.501 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 23.629 36.388 16.995 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
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@@ -41380,7 +44150,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.8 kcal/mol"
+ "-7.7 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41395,7 +44165,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.352 32.717 11.075 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 17.191 33.075 11.851 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 17.186 33.757 13.047 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 15.837 33.849 13.380 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 15.466 34.506 14.580 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 16.459 35.056 15.416 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 17.789 34.936 15.036 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 18.194 34.292 13.855 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 16.144 35.687 16.562 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 14.835 35.780 16.896 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 13.797 35.271 16.135 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 14.117 34.619 14.953 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 15.055 33.243 12.421 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 15.888 32.790 11.518 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 15.547 32.131 10.407 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 14.562 31.961 10.234 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 16.188 31.780 9.709 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_11\nREMARK 2 A between atoms: C_2 and N_16\nREMARK 3 A between atoms: N_7 and C_19\nREMARK 4 A between atoms: C_9 and O_13\nREMARK 5 A between atoms: O_13 and C_15\nREMARK 6 A between atoms: C_19 and C_20\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.262 32.812 13.001 0.00 0.00 +0.076 C \nATOM 2 C UNL 1 19.093 32.395 11.951 0.00 0.00 +0.140 C \nATOM 3 N UNL 1 18.639 32.090 10.719 0.00 0.00 -0.216 NA\nATOM 4 C UNL 1 17.315 32.168 10.483 0.00 0.00 +0.121 C \nATOM 5 C UNL 1 16.424 32.554 11.476 0.00 0.00 +0.045 C \nATOM 6 C UNL 1 16.900 32.878 12.748 0.00 0.00 +0.030 C \nATOM 7 N UNL 1 16.936 31.822 9.216 0.00 0.00 -0.325 N \nATOM 8 H UNL 1 17.710 31.556 8.620 0.00 0.00 +0.148 HD\nENDROOT\nBRANCH 1 11\nATOM 9 C UNL 1 18.823 34.361 14.875 0.00 0.00 +0.405 C \nATOM 10 O UNL 1 18.243 35.380 14.535 0.00 0.00 -0.226 OA\nATOM 11 N UNL 1 18.853 33.162 14.228 0.00 0.00 -0.248 N \nATOM 12 H UNL 1 19.395 32.441 14.686 0.00 0.00 +0.158 HD\nBRANCH 9 13\nATOM 13 O UNL 1 19.552 34.244 16.018 0.00 0.00 -0.450 OA\nBRANCH 13 15\nATOM 14 C UNL 1 21.437 33.176 17.025 0.00 0.00 +0.048 C \nATOM 15 C UNL 1 20.195 32.974 16.180 0.00 0.00 +0.230 C \nENDBRANCH 13 15\nENDBRANCH 9 13\nENDBRANCH 1 11\nBRANCH 2 16\nATOM 16 N UNL 1 20.470 32.263 12.131 0.00 0.00 -0.342 N \nATOM 17 H UNL 1 20.742 31.697 12.922 0.00 0.00 +0.144 HD\nATOM 18 H UNL 1 20.905 32.000 11.252 0.00 0.00 +0.144 HD\nENDBRANCH 2 16\nBRANCH 7 19\nATOM 19 C UNL 1 15.647 32.084 8.631 0.00 0.00 +0.138 C \nBRANCH 19 20\nATOM 20 C UNL 1 15.251 30.938 7.728 0.00 0.00 -0.030 C \nATOM 21 C UNL 1 16.184 30.370 6.845 0.00 0.00 +0.008 C \nATOM 22 C UNL 1 15.813 29.316 6.008 0.00 0.00 +0.038 C \nATOM 23 C UNL 1 14.510 28.836 6.045 0.00 0.00 +0.123 C \nATOM 24 C UNL 1 13.568 29.389 6.904 0.00 0.00 +0.038 C \nATOM 25 C UNL 1 13.937 30.440 7.746 0.00 0.00 +0.008 C \nATOM 26 F UNL 1 14.156 27.826 5.239 0.00 0.00 -0.205 F \nENDBRANCH 19 20\nENDBRANCH 7 19\nTORSDOF 6\n",
"type": "blob"
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@@ -41416,7 +44186,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.8 kcal/mol"
+ "-7.7 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41431,7 +44201,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 22.545 34.183 14.043 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 21.198 33.822 13.678 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 20.042 34.415 14.134 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 19.024 33.713 13.492 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 17.676 34.071 13.740 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.381 35.128 14.626 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 18.434 35.794 15.239 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 19.781 35.467 15.017 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 16.114 35.496 14.886 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 15.117 34.819 14.268 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 15.315 33.772 13.384 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 16.621 33.389 13.114 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 19.547 32.731 12.679 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 20.847 32.818 12.808 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 21.743 32.045 12.188 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 21.402 31.325 11.560 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 22.747 32.109 12.286 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.119 34.788 18.517 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 19.774 34.689 18.233 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 20.276 35.565 16.559 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 20.114 36.702 15.756 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.980 36.644 14.650 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 21.727 35.497 14.685 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 22.672 34.882 13.862 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 23.088 33.576 14.246 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 22.578 32.912 15.380 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 21.695 33.600 16.178 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 21.313 34.876 15.825 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 20.725 33.418 17.253 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 21.010 37.332 13.908 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 20.113 36.409 18.718 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 20.909 37.654 18.472 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 19.874 36.463 19.720 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 19.342 33.297 16.627 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 18.037 34.602 16.950 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 18.374 36.271 17.841 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 15.854 35.033 15.748 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.243 34.948 15.684 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 17.855 35.208 14.644 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 14.620 34.109 13.802 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 15.145 35.354 14.502 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 15.042 34.970 16.972 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 14.174 36.201 17.194 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
"type": "blob"
}
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@@ -41452,7 +44222,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.8 kcal/mol"
+ "-7.7 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41467,7 +44237,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.972 32.628 11.968 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 15.979 33.380 12.777 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 15.601 34.388 13.655 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 16.484 35.093 14.406 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 17.783 34.768 14.265 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 18.756 35.438 14.996 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 20.121 35.139 14.888 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 20.479 34.121 14.000 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 19.543 33.417 13.243 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 18.171 33.741 13.373 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 17.278 33.039 12.623 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 20.183 32.475 12.458 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 21.460 32.589 12.717 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 21.694 33.573 13.645 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 22.962 33.994 14.185 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 22.422 31.850 12.157 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 22.140 31.147 11.480 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 23.413 31.915 12.336 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.467 32.640 12.080 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.511 32.330 11.966 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.895 32.863 13.391 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 16.158 33.707 14.275 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 14.964 34.389 13.925 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 14.294 35.203 14.839 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 14.807 35.354 16.118 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 15.980 34.701 16.482 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 16.662 33.890 15.588 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 17.790 33.315 16.023 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 18.469 32.533 15.168 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 18.073 32.287 13.869 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 13.993 36.357 17.252 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 17.127 33.188 10.901 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 16.204 34.220 10.251 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 17.447 32.011 9.956 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.639 32.028 8.654 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 17.101 30.913 7.715 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 16.005 29.869 7.546 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 15.963 29.353 8.435 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 13.531 29.507 7.501 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 14.645 30.533 7.393 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 16.304 28.876 6.428 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 17.594 29.268 5.732 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
"type": "blob"
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@@ -41488,7 +44258,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.8 kcal/mol"
+ "-7.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41503,7 +44273,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.697 31.814 7.058 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 16.668 32.669 7.428 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.364 32.177 7.546 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 15.057 30.842 7.306 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.094 29.974 6.938 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 17.415 30.473 6.811 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.709 28.645 6.715 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 14.440 28.225 6.814 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 13.543 29.149 7.174 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 13.789 30.439 7.432 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 16.612 27.668 6.324 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 17.499 27.644 6.804 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 16.157 26.774 6.183 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_23\nREMARK 2 A between atoms: N_20 and C_26\nREMARK 3 A between atoms: N_20 and C_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.353 33.609 13.698 0.00 0.00 +0.143 C \nATOM 2 C UNL 1 20.785 34.243 13.590 0.00 0.00 +0.158 C \nATOM 3 N UNL 1 21.479 34.427 14.958 0.00 0.00 +0.240 N \nATOM 4 C UNL 1 21.423 33.137 15.816 0.00 0.00 +0.100 C \nATOM 5 C UNL 1 22.085 33.347 17.221 0.00 0.00 +0.096 C \nATOM 6 C UNL 1 21.182 34.136 18.094 0.00 0.00 -0.016 C \nATOM 7 C UNL 1 21.381 34.936 19.193 0.00 0.00 +0.087 C \nATOM 8 N UNL 1 20.140 35.345 19.640 0.00 0.00 -0.360 N \nATOM 9 C UNL 1 19.149 34.822 18.836 0.00 0.00 +0.047 C \nATOM 10 C UNL 1 17.758 34.917 18.881 0.00 0.00 +0.026 C \nATOM 11 C UNL 1 17.040 34.214 17.899 0.00 0.00 +0.003 C \nATOM 12 C UNL 1 17.684 33.466 16.904 0.00 0.00 +0.009 C \nATOM 13 C UNL 1 19.081 33.409 16.853 0.00 0.00 -0.007 C \nATOM 14 C UNL 1 19.790 34.079 17.860 0.00 0.00 +0.011 C \nATOM 15 C UNL 1 19.930 32.701 15.855 0.00 0.00 +0.006 C \nATOM 16 C UNL 1 19.396 32.409 14.648 0.00 0.00 +0.010 C \nATOM 17 C UNL 1 22.848 35.008 14.770 0.00 0.00 +0.191 C \nATOM 18 H UNL 1 20.919 35.123 15.471 0.00 0.00 +0.204 HD\nATOM 19 H UNL 1 19.974 35.921 20.456 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 23\nATOM 20 N UNL 1 17.104 32.889 10.866 0.00 0.00 -0.286 N \nATOM 21 C UNL 1 17.544 33.451 12.046 0.00 0.00 +0.303 C \nATOM 22 O UNL 1 16.875 34.238 12.712 0.00 0.00 -0.253 OA\nATOM 23 N UNL 1 18.813 33.129 12.440 0.00 0.00 -0.288 N \nATOM 24 H UNL 1 19.258 32.340 12.000 0.00 0.00 +0.151 HD\nBRANCH 20 26\nATOM 25 C UNL 1 15.778 34.669 9.775 0.00 0.00 +0.024 C \nATOM 26 C UNL 1 15.774 33.274 10.383 0.00 0.00 +0.106 C \nENDBRANCH 20 26\nBRANCH 20 27\nATOM 27 C UNL 1 17.834 31.922 10.038 0.00 0.00 +0.106 C \nATOM 28 C UNL 1 17.102 31.634 8.736 0.00 0.00 +0.024 C \nENDBRANCH 20 27\nENDBRANCH 1 23\nTORSDOF 3\n",
"type": "blob"
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@@ -41524,7 +44294,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.8 kcal/mol"
+ "-7.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41539,7 +44309,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.742 35.073 16.964 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 15.460 34.601 15.632 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 16.387 34.241 14.680 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 15.618 33.864 13.581 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 16.268 33.428 12.400 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 17.676 33.379 12.350 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 18.395 33.767 13.474 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 17.785 34.204 14.661 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 18.328 32.971 11.247 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 17.589 32.603 10.173 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 16.205 32.619 10.135 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 15.529 33.040 11.271 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 14.274 33.993 13.860 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 14.207 34.435 15.090 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 13.083 34.699 15.762 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 12.197 34.549 15.291 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 13.029 35.040 16.711 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.834 35.333 14.461 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 20.493 35.255 14.154 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 20.347 34.456 15.933 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 19.999 33.310 16.660 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.308 33.484 18.020 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 20.858 34.719 18.233 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 21.290 35.455 19.337 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 21.671 36.803 19.087 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 21.609 37.392 17.807 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 21.231 36.592 16.755 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 20.890 35.278 16.990 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 20.787 36.642 15.366 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 20.105 32.808 18.745 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 21.206 33.593 13.954 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 21.966 32.465 14.579 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 21.418 33.506 12.948 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 19.265 36.581 15.353 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 18.381 35.115 14.592 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 19.256 33.503 14.019 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 15.957 34.428 14.804 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.176 34.670 15.431 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 17.327 34.473 16.641 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 13.509 34.598 15.187 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 14.835 34.018 15.659 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 15.722 34.407 13.353 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 15.857 33.024 12.731 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
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@@ -41560,7 +44330,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.6 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41575,7 +44345,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.883 36.015 17.297 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.254 35.368 16.105 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 14.877 35.372 15.917 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 14.268 34.797 14.850 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 15.075 34.201 13.951 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 14.537 33.587 12.826 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 15.330 32.954 11.860 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.712 32.962 12.069 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 17.302 33.564 13.178 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.476 34.196 14.139 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 17.079 34.776 15.213 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 18.677 33.415 13.120 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 18.927 32.750 12.022 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 17.771 32.450 11.347 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 17.634 31.733 10.105 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 20.146 32.402 11.602 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 20.938 32.674 12.178 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 20.370 31.890 10.761 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.350 31.358 7.488 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 15.534 31.825 6.491 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.094 33.032 6.743 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 15.637 33.360 7.971 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 16.427 32.320 8.475 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.072 32.449 9.738 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 17.884 31.465 10.347 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 18.469 31.701 11.590 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 18.251 32.912 12.232 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 17.447 33.885 11.631 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.849 33.685 10.396 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 16.095 34.680 9.906 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 15.480 34.552 8.710 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 14.716 35.604 8.262 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 14.651 36.423 8.843 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 14.252 35.520 7.370 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 16.961 30.042 7.446 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 18.344 29.297 5.488 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 16.926 29.382 6.056 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.303 27.984 6.102 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
"type": "blob"
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@@ -41596,7 +44366,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.7 kcal/mol"
+ "-7.5 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41611,7 +44381,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.186 32.812 13.162 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 18.815 33.368 14.403 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.596 34.037 14.586 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 17.249 34.595 15.771 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 16.051 35.219 15.839 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 15.208 35.292 14.755 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 15.529 34.746 13.562 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 16.715 34.122 13.482 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 17.070 33.540 12.273 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 18.289 32.880 12.104 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 20.037 33.218 15.869 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 20.438 32.130 13.057 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 20.468 31.189 13.440 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 23.270 34.102 11.996 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 23.791 32.660 11.899 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 22.658 31.831 12.316 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 21.597 32.638 12.615 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 21.887 33.963 12.464 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 22.624 30.820 12.344 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 21.298 34.705 12.815 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.814 33.971 13.079 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 14.874 33.434 12.237 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 15.410 32.634 11.352 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 16.766 32.663 11.619 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.056 33.507 12.698 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 18.400 33.689 13.131 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 18.810 34.520 14.199 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 20.158 34.621 14.538 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 21.103 33.900 13.821 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 20.698 33.080 12.764 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 19.367 32.955 12.397 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.081 32.144 11.369 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 17.806 31.978 10.957 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 17.577 31.136 9.893 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 18.368 30.681 9.470 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 16.628 31.005 9.575 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.471 34.894 14.145 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 15.671 34.797 16.645 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.960 34.209 15.425 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.445 34.357 15.588 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
"type": "blob"
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@@ -41632,7 +44402,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.6 kcal/mol"
+ "-7.5 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41647,7 +44417,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 19.209 31.990 12.023 0.00 0.00 +0.152 C \nATOM 2 N UNL 1 18.612 32.463 13.246 0.00 0.00 -0.315 N \nATOM 3 C UNL 1 17.370 33.045 13.377 0.00 0.00 +0.070 A \nATOM 4 C UNL 1 17.266 33.320 14.739 0.00 0.00 +0.100 A \nATOM 5 C UNL 1 16.087 33.934 15.231 0.00 0.00 +0.028 C \nATOM 6 C UNL 1 15.040 34.257 14.343 0.00 0.00 +0.073 C \nATOM 7 C UNL 1 15.197 33.961 12.995 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.350 33.353 12.473 0.00 0.00 +0.030 C \nATOM 9 N UNL 1 13.907 34.840 14.773 0.00 0.00 -0.255 NA\nATOM 10 C UNL 1 13.796 35.112 16.095 0.00 0.00 +0.111 C \nATOM 11 C UNL 1 14.772 34.829 17.035 0.00 0.00 +0.020 C \nATOM 12 C UNL 1 15.943 34.228 16.596 0.00 0.00 +0.013 C \nATOM 13 N UNL 1 18.404 32.919 15.405 0.00 0.00 -0.214 NA\nATOM 14 C UNL 1 19.191 32.411 14.492 0.00 0.00 +0.194 A \nATOM 15 N UNL 1 20.406 31.899 14.709 0.00 0.00 -0.329 N \nATOM 16 H UNL 1 20.762 31.898 15.659 0.00 0.00 +0.145 HD\nATOM 17 H UNL 1 21.015 31.507 14.005 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_13 and N_14\nREMARK 3 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.980 34.599 15.206 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 17.685 34.435 16.370 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 18.737 33.674 16.202 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.706 33.312 14.869 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.603 33.871 14.213 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 17.377 33.612 12.831 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 16.296 34.115 12.070 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 16.175 33.797 10.719 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 17.124 32.981 10.117 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 18.192 32.484 10.869 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 18.345 32.778 12.216 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 19.402 32.250 12.849 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 19.610 32.492 14.161 0.00 0.00 +0.145 A \nENDROOT\nBRANCH 13 14\nATOM 14 N UNL 1 20.710 31.919 14.756 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 21.311 31.347 14.188 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.876 32.093 15.736 0.00 0.00 +0.144 HD\nENDBRANCH 13 14\nBRANCH 1 17\nATOM 17 C UNL 1 15.770 35.397 15.131 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 14.175 35.972 16.982 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 14.622 34.875 16.014 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 13.428 34.402 15.180 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 3\n",
"type": "blob"
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"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.6 kcal/mol"
+ "-7.5 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41683,7 +44453,7 @@
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{
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- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.422 33.039 9.227 0.00 0.00 +0.067 C \nATOM 2 C UNL 1 16.999 33.082 10.605 0.00 0.00 +0.057 C \nATOM 3 C UNL 1 18.337 32.791 10.843 0.00 0.00 +0.134 C \nATOM 4 N UNL 1 18.898 32.818 12.078 0.00 0.00 -0.252 NA\nATOM 5 C UNL 1 18.082 33.149 13.097 0.00 0.00 +0.091 C \nATOM 6 C UNL 1 18.573 33.203 14.397 0.00 0.00 +0.032 C \nATOM 7 C UNL 1 17.769 33.541 15.494 0.00 0.00 +0.030 C \nATOM 8 C UNL 1 16.427 33.831 15.231 0.00 0.00 +0.072 A \nATOM 9 C UNL 1 15.885 33.793 13.948 0.00 0.00 +0.118 A \nATOM 10 C UNL 1 16.721 33.447 12.859 0.00 0.00 +0.117 C \nATOM 11 N UNL 1 16.166 33.416 11.615 0.00 0.00 -0.247 NA\nATOM 12 N UNL 1 14.542 34.122 13.992 0.00 0.00 -0.212 NA\nATOM 13 C UNL 1 14.264 34.355 15.249 0.00 0.00 +0.194 A \nATOM 14 N UNL 1 15.371 34.193 16.043 0.00 0.00 -0.315 N \nATOM 15 C UNL 1 15.467 34.359 17.471 0.00 0.00 +0.152 C \nATOM 16 N UNL 1 13.061 34.706 15.712 0.00 0.00 -0.329 N \nATOM 17 H UNL 1 12.307 34.800 15.038 0.00 0.00 +0.145 HD\nATOM 18 H UNL 1 12.817 34.892 16.674 0.00 0.00 +0.145 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.489 34.122 17.865 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 16.933 33.776 16.654 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 18.341 34.916 15.918 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 18.623 36.074 15.182 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.007 36.319 15.175 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 20.670 35.357 15.888 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 22.001 35.047 16.171 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 22.231 33.824 16.860 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 21.191 32.947 17.233 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 19.900 33.344 16.976 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 19.673 34.543 16.335 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 18.530 32.846 16.907 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 20.453 37.075 14.670 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 16.388 35.465 17.051 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 16.784 36.868 17.396 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 15.457 35.358 17.483 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 18.221 32.509 15.455 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.916 33.468 14.514 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 16.066 35.063 15.168 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 16.433 33.649 12.039 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 17.353 33.777 13.076 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 18.496 34.196 12.873 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 15.906 34.765 9.884 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 16.910 33.944 10.681 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 14.995 33.383 12.189 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 14.583 31.983 11.757 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
"type": "blob"
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@@ -41704,7 +44474,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.6 kcal/mol"
+ "-7.5 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41719,7 +44489,7 @@
"args": [
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"binary": false,
- "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and N_17\nREMARK 2 A between atoms: C_15 and N_17\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.156 32.816 11.027 0.00 0.00 +0.108 C \nATOM 2 C UNL 1 16.684 33.055 12.332 0.00 0.00 +0.082 C \nATOM 3 C UNL 1 17.529 33.014 13.452 0.00 0.00 +0.106 C \nATOM 4 N UNL 1 17.071 33.217 14.711 0.00 0.00 -0.251 NA\nATOM 5 C UNL 1 17.970 33.152 15.718 0.00 0.00 +0.131 C \nATOM 6 C UNL 1 19.301 32.888 15.489 0.00 0.00 +0.131 C \nATOM 7 N UNL 1 19.783 32.681 14.245 0.00 0.00 -0.252 NA\nATOM 8 C UNL 1 18.901 32.744 13.235 0.00 0.00 +0.090 C \nATOM 9 C UNL 1 19.367 32.546 11.943 0.00 0.00 +0.033 C \nATOM 10 C UNL 1 18.514 32.587 10.838 0.00 0.00 +0.043 C \nATOM 11 BR UNL 1 14.821 33.425 12.572 0.00 0.00 -0.045 Br\nENDROOT\nBRANCH 1 12\nATOM 12 N UNL 1 16.238 32.893 9.934 0.00 0.00 -0.208 N \nATOM 13 H UNL 1 15.469 33.549 10.042 0.00 0.00 +0.251 HD\nBRANCH 12 17\nATOM 14 C UNL 1 16.560 30.373 7.370 0.00 0.00 +0.221 C \nATOM 15 C UNL 1 15.610 31.399 6.734 0.00 0.00 +0.230 C \nATOM 16 N UNL 1 15.465 32.444 7.751 0.00 0.00 -0.279 N \nATOM 17 C UNL 1 16.219 32.117 8.842 0.00 0.00 +0.334 C \nATOM 18 N UNL 1 16.868 30.926 8.692 0.00 0.00 -0.238 N \nATOM 19 H UNL 1 14.936 33.302 7.668 0.00 0.00 +0.258 HD\nATOM 20 H UNL 1 17.313 30.435 9.456 0.00 0.00 +0.244 HD\nENDBRANCH 12 17\nENDBRANCH 1 12\nTORSDOF 2\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.993 33.031 10.576 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.033 32.793 10.789 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.896 32.983 11.641 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 16.510 33.385 12.955 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 15.220 33.865 13.301 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 14.910 34.246 14.607 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 15.884 34.157 15.590 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 17.157 33.696 15.273 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 17.486 33.316 13.982 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 18.741 32.899 13.768 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 19.080 32.535 12.520 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 18.213 32.565 11.447 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 15.516 34.626 17.203 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 16.231 33.759 9.335 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 15.530 35.115 9.414 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 15.698 32.891 8.175 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.799 32.195 7.370 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.731 30.679 7.554 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 16.148 30.016 6.314 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.239 30.703 5.553 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 18.381 29.271 5.469 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 16.993 28.824 5.890 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 14.672 29.665 6.470 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 14.371 28.385 5.714 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
"type": "blob"
}
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@@ -41740,7 +44510,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.5 kcal/mol"
+ "-7.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41755,7 +44525,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.401 28.053 5.643 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 14.131 28.395 6.085 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 13.941 29.578 6.807 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 14.993 30.438 7.099 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.277 30.099 6.650 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 16.472 28.898 5.923 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 17.285 31.016 6.980 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 17.060 32.124 7.699 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 15.792 32.336 8.068 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 14.743 31.550 7.798 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 18.612 30.816 6.627 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 18.793 30.500 5.687 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 19.205 31.562 6.970 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 2 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_17\nREMARK 2 A between atoms: C_17 and C_19\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 17.318 32.644 13.139 0.00 0.00 -0.329 N \nATOM 2 C UNL 1 18.557 32.058 13.119 0.00 0.00 +0.200 C \nATOM 3 N UNL 1 19.153 32.131 14.281 0.00 0.00 -0.232 NA\nATOM 4 C UNL 1 18.266 32.813 15.094 0.00 0.00 +0.129 A \nATOM 5 C UNL 1 17.101 33.161 14.400 0.00 0.00 +0.081 A \nATOM 6 C UNL 1 16.060 33.881 15.053 0.00 0.00 +0.026 A \nATOM 7 C UNL 1 14.848 34.291 14.451 0.00 0.00 +0.012 C \nATOM 8 C UNL 1 13.895 34.992 15.189 0.00 0.00 +0.001 C \nATOM 9 C UNL 1 14.140 35.288 16.523 0.00 0.00 +0.002 C \nATOM 10 C UNL 1 15.339 34.883 17.116 0.00 0.00 +0.028 C \nATOM 11 C UNL 1 16.310 34.185 16.415 0.00 0.00 +0.075 A \nATOM 12 N UNL 1 17.426 33.844 17.075 0.00 0.00 -0.230 NA\nATOM 13 C UNL 1 18.414 33.166 16.452 0.00 0.00 +0.145 A \nATOM 14 N UNL 1 19.537 32.849 17.181 0.00 0.00 -0.341 N \nATOM 15 H UNL 1 19.572 33.133 18.144 0.00 0.00 +0.144 HD\nATOM 16 H UNL 1 20.282 32.343 16.725 0.00 0.00 +0.144 HD\nENDROOT\nBRANCH 1 17\nATOM 17 C UNL 1 16.459 32.697 11.970 0.00 0.00 +0.126 C \nBRANCH 17 19\nATOM 18 C UNL 1 17.399 32.149 9.708 0.00 0.00 +0.009 C \nATOM 19 C UNL 1 17.144 33.270 10.717 0.00 0.00 +0.003 C \nATOM 20 C UNL 1 16.310 34.375 10.063 0.00 0.00 +0.009 C \nENDBRANCH 17 19\nENDBRANCH 1 17\nTORSDOF 2\n",
"type": "blob"
}
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@@ -41776,7 +44546,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.5 kcal/mol"
+ "-7.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41791,7 +44561,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.330 32.517 7.708 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 17.565 32.058 7.269 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.668 30.786 6.695 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.564 29.956 6.542 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 15.315 30.418 6.978 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 15.209 31.704 7.567 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 14.250 29.527 6.789 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 14.403 28.306 6.258 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 15.644 27.983 5.880 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 16.735 28.750 5.989 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 12.955 29.826 7.185 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 12.611 30.750 6.972 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 12.320 29.059 6.997 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.672 32.260 11.098 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 16.347 32.713 10.506 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 15.301 32.810 11.608 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 15.772 33.583 12.813 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.787 34.013 13.634 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.116 34.666 14.754 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 14.082 35.071 15.588 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 14.319 35.753 16.783 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 15.621 36.038 17.158 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 16.675 35.641 16.335 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.449 34.952 15.115 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.475 34.533 14.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.130 33.784 13.077 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.182 33.279 12.116 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.827 34.747 14.527 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.071 35.425 15.234 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.526 34.590 13.815 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
"type": "blob"
}
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@@ -41812,7 +44582,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.4 kcal/mol"
+ "-7.3 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41827,7 +44597,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.780 33.603 9.604 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 16.444 32.510 8.635 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 15.258 31.877 8.804 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 14.921 30.898 7.945 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 15.755 30.508 6.879 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 16.973 31.178 6.724 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.324 32.191 7.610 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 15.355 29.478 6.005 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 14.143 28.811 6.186 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 13.311 29.223 7.223 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 13.707 30.245 8.093 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 13.724 27.849 5.284 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 14.384 27.466 4.619 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 12.906 27.292 5.496 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.679 32.882 10.768 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.027 32.455 11.326 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 17.548 33.523 12.279 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.530 33.959 13.302 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.042 34.603 14.374 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.207 35.069 15.310 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.763 35.749 16.386 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.978 36.279 17.411 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.603 36.130 17.363 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.022 35.450 16.292 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 14.808 34.901 15.245 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 14.284 34.182 14.133 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 15.160 33.753 13.115 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 14.653 33.023 11.892 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 12.902 34.005 13.978 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 12.295 34.144 14.773 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 12.561 33.362 13.278 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
"type": "blob"
}
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@@ -41848,7 +44618,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.3 kcal/mol"
+ "-7.3 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -41863,7 +44633,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.571 29.647 7.109 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 13.817 28.495 6.375 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 15.103 28.248 5.881 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.158 29.124 6.106 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 15.914 30.286 6.851 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 14.611 30.541 7.347 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 17.026 31.119 7.037 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 18.234 30.854 6.521 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 18.338 29.714 5.829 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 17.361 28.829 5.600 0.00 0.00 -0.235 NA\nATOM 11 N UNL 1 16.947 32.316 7.734 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 16.432 32.308 8.601 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 17.836 32.800 7.746 0.00 0.00 +0.144 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 6 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_16\nREMARK 2 A between atoms: C_1 and C_21\nREMARK 3 A between atoms: N_3 and C_5\nREMARK 4 A between atoms: C_15 and C_16\nREMARK 5 A between atoms: N_20 and C_24\nREMARK 6 A between atoms: N_20 and C_25\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 21.153 32.988 13.239 0.00 0.00 +0.100 C \nATOM 2 C UNL 1 22.009 32.889 14.314 0.00 0.00 +0.096 C \nATOM 3 C UNL 1 21.405 34.710 14.695 0.00 0.00 -0.016 C \nATOM 4 C UNL 1 21.789 36.051 14.823 0.00 0.00 +0.087 C \nATOM 5 N UNL 1 20.658 36.864 15.012 0.00 0.00 -0.360 N \nATOM 6 C UNL 1 19.517 36.107 15.014 0.00 0.00 +0.047 C \nATOM 7 C UNL 1 18.155 36.335 15.212 0.00 0.00 +0.026 C \nATOM 8 C UNL 1 17.323 35.181 15.266 0.00 0.00 +0.003 C \nATOM 9 C UNL 1 17.825 33.869 15.146 0.00 0.00 +0.009 C \nATOM 10 C UNL 1 19.168 33.721 14.893 0.00 0.00 -0.007 C \nATOM 11 C UNL 1 19.971 34.838 14.810 0.00 0.00 +0.011 C \nATOM 12 C UNL 1 20.243 32.734 14.894 0.00 0.00 +0.005 C \nATOM 13 H UNL 1 20.690 37.863 15.173 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 2 14\nATOM 14 N UNL 1 22.828 33.903 13.044 0.00 0.00 +0.240 NA\nATOM 15 C UNL 1 22.763 35.111 12.162 0.00 0.00 +0.191 C \nATOM 16 H UNL 1 23.439 33.252 12.527 0.00 0.00 +0.204 HD\nENDBRANCH 2 14\nBRANCH 12 17\nATOM 17 C UNL 1 20.980 32.836 16.222 0.00 0.00 +0.000 C \nBRANCH 17 18\nATOM 18 C UNL 1 22.768 33.390 16.275 0.00 0.00 +0.143 C \nATOM 19 C UNL 1 23.725 34.100 14.767 0.00 0.00 +0.148 C \nBRANCH 18 21\nATOM 20 N UNL 1 24.126 34.112 18.282 0.00 0.00 -0.301 N \nATOM 21 C UNL 1 23.041 34.348 17.442 0.00 0.00 +0.228 C \nATOM 22 O UNL 1 22.329 35.348 17.576 0.00 0.00 -0.275 OA\nBRANCH 20 24\nATOM 23 C UNL 1 25.490 36.005 19.132 0.00 0.00 +0.024 C \nATOM 24 C UNL 1 24.330 35.055 19.391 0.00 0.00 +0.104 C \nENDBRANCH 20 24\nBRANCH 20 25\nATOM 25 C UNL 1 25.167 33.093 18.083 0.00 0.00 +0.104 C \nATOM 26 C UNL 1 25.346 32.160 19.272 0.00 0.00 +0.024 C \nENDBRANCH 20 25\nENDBRANCH 18 21\nENDBRANCH 17 18\nENDBRANCH 12 17\nTORSDOF 6\n",
"type": "blob"
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@@ -41884,7 +44654,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.3 kcal/mol"
+ "-7.3 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41899,7 +44669,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.228 35.868 15.917 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 16.999 35.020 14.703 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 18.083 34.427 14.148 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 17.910 33.651 13.063 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 16.645 33.434 12.483 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 15.540 34.056 13.075 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 15.716 34.858 14.198 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 16.516 32.611 11.347 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 17.632 32.012 10.763 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 18.875 32.206 11.360 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 19.005 33.026 12.487 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 17.491 31.148 9.691 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 16.615 31.117 9.185 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 18.316 30.822 9.204 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 15.789 32.796 10.234 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.080 32.090 10.084 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.051 33.140 11.562 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 17.363 33.019 12.111 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 18.492 32.545 11.395 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 19.749 32.448 11.995 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 19.898 32.818 13.323 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 18.804 33.279 14.047 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 17.548 33.381 13.470 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 16.551 33.820 14.249 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 15.325 33.917 13.710 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 15.031 33.590 12.402 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 21.439 32.700 14.074 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 16.143 33.627 9.089 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 15.593 35.036 9.311 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 15.555 32.960 7.828 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.522 31.998 7.132 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 16.136 30.544 7.411 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 15.912 29.791 6.106 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.064 30.475 5.352 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 18.298 29.346 5.505 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 16.975 28.721 5.909 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 14.494 29.244 5.979 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 13.631 29.803 7.094 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
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@@ -41920,7 +44690,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.2 kcal/mol"
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@@ -41935,7 +44705,7 @@
"args": [
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- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_7 and N_11\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.233 33.752 11.214 0.00 0.00 +0.001 C \nATOM 2 C UNL 1 17.755 32.472 11.084 0.00 0.00 +0.002 C \nATOM 3 C UNL 1 17.483 31.724 9.933 0.00 0.00 +0.028 C \nATOM 4 C UNL 1 16.699 32.223 8.899 0.00 0.00 +0.076 C \nATOM 5 C UNL 1 16.174 33.517 9.024 0.00 0.00 +0.040 C \nATOM 6 C UNL 1 16.444 34.274 10.192 0.00 0.00 +0.013 C \nATOM 7 C UNL 1 15.397 33.951 7.942 0.00 0.00 +0.127 C \nATOM 8 N UNL 1 15.140 33.187 6.871 0.00 0.00 -0.221 NA\nATOM 9 C UNL 1 15.700 31.973 6.871 0.00 0.00 +0.223 C \nATOM 10 N UNL 1 16.474 31.452 7.830 0.00 0.00 -0.235 NA\nENDROOT\nBRANCH 7 11\nATOM 11 N UNL 1 14.789 35.198 7.920 0.00 0.00 -0.343 N \nATOM 12 H UNL 1 15.344 35.984 8.223 0.00 0.00 +0.144 HD\nATOM 13 H UNL 1 14.246 35.334 7.076 0.00 0.00 +0.144 HD\nENDBRANCH 7 11\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 8 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: N_1 and C_3\nREMARK 2 A between atoms: N_1 and C_14\nREMARK 3 A between atoms: C_14 and C_16\nREMARK 4 A between atoms: C_16 and C_17\nREMARK 5 A between atoms: C_17 and C_18\nREMARK 6 A between atoms: C_18 and N_19\nREMARK 7 A between atoms: N_19 and C_22\nREMARK 8 A between atoms: N_19 and C_23\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 N UNL 1 16.427 32.141 11.189 0.00 0.00 -0.341 N \nATOM 2 H UNL 1 15.867 31.332 10.953 0.00 0.00 +0.146 HD\nENDROOT\nBRANCH 1 3\nATOM 3 C UNL 1 16.108 32.791 12.383 0.00 0.00 +0.038 C \nATOM 4 C UNL 1 17.036 32.846 13.467 0.00 0.00 +0.021 C \nATOM 5 C UNL 1 18.327 32.258 13.447 0.00 0.00 +0.013 C \nATOM 6 C UNL 1 19.185 32.345 14.544 0.00 0.00 +0.021 C \nATOM 7 C UNL 1 18.765 33.017 15.683 0.00 0.00 +0.043 C \nATOM 8 C UNL 1 17.501 33.595 15.728 0.00 0.00 +0.048 C \nATOM 9 C UNL 1 16.634 33.517 14.649 0.00 0.00 +0.074 C \nATOM 10 N UNL 1 15.431 34.090 14.790 0.00 0.00 -0.255 NA\nATOM 11 C UNL 1 14.574 34.018 13.759 0.00 0.00 +0.113 C \nATOM 12 C UNL 1 14.858 33.388 12.563 0.00 0.00 +0.043 C \nATOM 13 CL UNL 1 19.811 33.129 17.042 0.00 0.00 -0.083 Cl\nENDBRANCH 1 3\nBRANCH 1 14\nATOM 14 C UNL 1 17.193 32.749 10.108 0.00 0.00 +0.067 C \nATOM 15 C UNL 1 16.496 34.038 9.670 0.00 0.00 +0.028 C \nBRANCH 14 16\nATOM 16 C UNL 1 17.287 31.717 8.965 0.00 0.00 +0.027 C \nBRANCH 16 17\nATOM 17 C UNL 1 16.413 32.056 7.753 0.00 0.00 +0.053 C \nBRANCH 17 18\nATOM 18 C UNL 1 15.307 31.016 7.575 0.00 0.00 +0.131 C \nBRANCH 18 19\nATOM 19 N UNL 1 15.878 29.716 7.026 0.00 0.00 +0.235 N \nATOM 20 H UNL 1 16.621 29.432 7.679 0.00 0.00 +0.203 HD\nBRANCH 19 22\nATOM 21 C UNL 1 14.224 28.383 5.707 0.00 0.00 +0.060 C \nATOM 22 C UNL 1 14.841 28.605 7.076 0.00 0.00 +0.128 C \nENDBRANCH 19 22\nBRANCH 19 23\nATOM 23 C UNL 1 16.496 29.883 5.641 0.00 0.00 +0.128 C \nATOM 24 C UNL 1 17.907 29.326 5.644 0.00 0.00 +0.060 C \nENDBRANCH 19 23\nENDBRANCH 18 19\nENDBRANCH 17 18\nENDBRANCH 16 17\nENDBRANCH 14 16\nENDBRANCH 1 14\nTORSDOF 8\n",
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@@ -41956,7 +44726,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
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+ "-7.1 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -41971,7 +44741,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.617 35.485 14.920 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 15.680 34.716 14.195 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 16.965 34.950 14.553 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 17.943 34.268 13.929 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 17.679 33.323 12.919 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 16.344 33.097 12.568 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 15.331 33.800 13.212 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 18.739 32.633 12.297 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 20.065 32.883 12.650 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 20.316 33.795 13.670 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 19.265 34.484 14.287 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 21.096 32.153 12.086 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 20.921 31.593 11.261 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 22.054 32.430 12.260 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.356 32.685 10.858 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 19.347 32.374 11.968 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 19.262 33.448 13.045 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 17.853 33.733 13.495 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 17.753 34.379 14.678 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.541 34.717 15.132 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 16.474 35.403 16.337 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.259 35.806 16.894 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 14.078 35.520 16.231 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 14.121 34.831 15.018 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 15.349 34.410 14.444 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 15.463 33.691 13.221 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.745 33.397 12.711 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.926 32.672 11.396 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 14.327 33.381 12.459 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 13.417 33.423 12.893 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 14.411 32.737 11.685 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
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@@ -41992,7 +44762,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.1 kcal/mol"
+ "-7.1 kcal/mol"
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"labelType": "text",
"sele": "@0",
@@ -42007,7 +44777,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.364 27.671 6.040 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 15.807 29.016 6.398 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 16.695 30.015 6.615 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 16.228 31.238 6.928 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 14.852 31.515 7.038 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 13.954 30.467 6.807 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 14.434 29.203 6.483 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 14.413 32.813 7.366 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 15.324 33.841 7.608 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 16.682 33.567 7.466 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 17.120 32.277 7.143 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 14.887 35.129 7.860 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 13.915 35.291 8.090 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 15.554 35.831 8.153 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.659 32.168 10.349 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 17.066 33.550 10.127 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 16.107 33.884 11.263 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 16.693 33.641 12.630 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 16.047 34.260 13.643 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 16.468 34.062 14.897 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.767 34.691 15.918 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 16.122 34.544 17.260 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.203 33.747 17.595 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.922 33.105 16.587 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 17.576 33.250 15.217 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 18.276 32.639 14.139 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 17.788 32.794 12.824 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 18.466 32.133 11.646 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 19.364 31.788 14.377 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.823 31.815 15.276 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 19.942 31.495 13.602 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
"type": "blob"
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@@ -42028,7 +44798,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.1 kcal/mol"
+ "-7.1 kcal/mol"
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"labelType": "text",
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@@ -42043,7 +44813,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_9 and N_12\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 14.750 35.449 14.717 0.00 0.00 +0.065 C \nATOM 2 C UNL 1 16.144 34.981 14.426 0.00 0.00 +0.039 C \nATOM 3 N UNL 1 16.292 34.044 13.459 0.00 0.00 -0.252 NA\nATOM 4 C UNL 1 17.532 33.610 13.167 0.00 0.00 +0.071 C \nATOM 5 C UNL 1 18.677 34.092 13.829 0.00 0.00 +0.002 C \nATOM 6 C UNL 1 18.498 35.061 14.823 0.00 0.00 +0.012 C \nATOM 7 C UNL 1 17.218 35.512 15.126 0.00 0.00 +0.023 C \nATOM 8 C UNL 1 19.954 33.606 13.484 0.00 0.00 +0.032 C \nATOM 9 C UNL 1 20.111 32.629 12.501 0.00 0.00 +0.025 C \nATOM 10 C UNL 1 18.977 32.180 11.830 0.00 0.00 +0.025 C \nATOM 11 C UNL 1 17.708 32.660 12.173 0.00 0.00 +0.030 C \nENDROOT\nBRANCH 9 12\nATOM 12 N UNL 1 21.372 32.207 12.118 0.00 0.00 -0.358 N \nATOM 13 H UNL 1 22.172 32.436 12.694 0.00 0.00 +0.142 HD\nATOM 14 H UNL 1 21.462 31.415 11.496 0.00 0.00 +0.142 HD\nENDBRANCH 9 12\nTORSDOF 1\n",
+ "data": "REMARK Name = =\nREMARK 1 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_12 and N_15\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.630 27.998 5.574 0.00 0.00 +0.005 C \nATOM 2 C UNL 1 14.205 28.526 5.582 0.00 0.00 +0.006 C \nATOM 3 C UNL 1 13.897 29.146 6.940 0.00 0.00 +0.056 C \nATOM 4 C UNL 1 14.951 30.115 7.407 0.00 0.00 +0.047 A \nATOM 5 N UNL 1 14.556 30.953 8.392 0.00 0.00 -0.251 NA\nATOM 6 C UNL 1 15.442 31.816 8.902 0.00 0.00 +0.073 A \nATOM 7 C UNL 1 15.013 32.645 9.930 0.00 0.00 +0.028 C \nATOM 8 C UNL 1 15.860 33.574 10.535 0.00 0.00 +0.002 C \nATOM 9 C UNL 1 17.172 33.680 10.106 0.00 0.00 +0.001 C \nATOM 10 C UNL 1 17.626 32.858 9.073 0.00 0.00 +0.012 C \nATOM 11 C UNL 1 16.773 31.912 8.446 0.00 0.00 +0.021 A \nATOM 12 C UNL 1 17.165 31.056 7.378 0.00 0.00 +0.039 A \nATOM 13 C UNL 1 16.250 30.100 6.890 0.00 0.00 -0.005 A \nATOM 14 C UNL 1 16.626 29.138 5.786 0.00 0.00 +0.039 C \nENDROOT\nBRANCH 12 15\nATOM 15 N UNL 1 18.481 31.065 6.894 0.00 0.00 -0.357 N \nATOM 16 H UNL 1 19.078 31.851 7.105 0.00 0.00 +0.142 HD\nATOM 17 H UNL 1 18.697 30.572 6.039 0.00 0.00 +0.142 HD\nENDBRANCH 12 15\nTORSDOF 1\n",
"type": "blob"
}
],
@@ -42064,7 +44834,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.0 kcal/mol"
+ "-7.1 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -42079,7 +44849,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 18.342 31.807 6.747 0.00 0.00 +0.044 C \nATOM 2 C UNL 1 17.200 30.824 6.791 0.00 0.00 -0.045 C \nATOM 3 C UNL 1 16.030 31.181 7.493 0.00 0.00 +0.031 C \nATOM 4 C UNL 1 14.989 30.253 7.520 0.00 0.00 +0.066 C \nATOM 5 C UNL 1 15.055 29.015 6.896 0.00 0.00 +0.089 C \nATOM 6 C UNL 1 16.219 28.663 6.201 0.00 0.00 +0.033 C \nATOM 7 C UNL 1 17.297 29.570 6.147 0.00 0.00 -0.045 C \nATOM 8 C UNL 1 18.538 29.173 5.391 0.00 0.00 +0.044 C \nATOM 9 N UNL 1 13.892 28.306 7.085 0.00 0.00 -0.236 NA\nATOM 10 C UNL 1 13.126 29.090 7.807 0.00 0.00 +0.197 C \nATOM 11 N UNL 1 13.743 30.274 8.095 0.00 0.00 -0.344 N \nATOM 12 H UNL 1 13.352 31.032 8.634 0.00 0.00 +0.167 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_11\nREMARK 2 A between atoms: C_11 and C_12\nREMARK 3 A between atoms: C_12 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.529 31.874 7.368 0.00 0.00 -0.017 C \nATOM 2 C UNL 1 17.895 31.896 7.166 0.00 0.00 +0.087 C \nATOM 3 N UNL 1 18.262 30.714 6.577 0.00 0.00 -0.360 N \nATOM 4 C UNL 1 17.157 29.922 6.378 0.00 0.00 +0.047 C \nATOM 5 C UNL 1 17.057 28.647 5.808 0.00 0.00 +0.026 C \nATOM 6 C UNL 1 15.790 28.063 5.746 0.00 0.00 +0.002 C \nATOM 7 C UNL 1 14.670 28.727 6.237 0.00 0.00 +0.001 C \nATOM 8 C UNL 1 14.786 30.001 6.803 0.00 0.00 +0.010 C \nATOM 9 C UNL 1 16.054 30.616 6.874 0.00 0.00 +0.003 C \nATOM 10 H UNL 1 19.207 30.451 6.325 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 11\nATOM 11 C UNL 1 15.706 32.959 7.976 0.00 0.00 +0.088 C \nBRANCH 11 12\nATOM 12 C UNL 1 16.283 33.400 9.326 0.00 0.00 +0.135 C \nBRANCH 12 14\nATOM 13 C UNL 1 17.624 32.006 10.904 0.00 0.00 +0.190 C \nATOM 14 N UNL 1 16.250 32.272 10.348 0.00 0.00 +0.231 N \nATOM 15 C UNL 1 15.257 32.503 11.454 0.00 0.00 +0.190 C \nATOM 16 H UNL 1 15.967 31.414 9.854 0.00 0.00 +0.203 HD\nENDBRANCH 12 14\nENDBRANCH 11 12\nENDBRANCH 1 11\nTORSDOF 3\n",
"type": "blob"
}
],
@@ -42100,7 +44870,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-6.0 kcal/mol"
+ "-6.6 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -42115,7 +44885,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 13.564 28.175 6.577 0.00 0.00 +0.044 C \nATOM 2 C UNL 1 14.594 29.263 6.745 0.00 0.00 -0.045 C \nATOM 3 C UNL 1 14.185 30.499 7.286 0.00 0.00 +0.031 C \nATOM 4 C UNL 1 15.156 31.490 7.429 0.00 0.00 +0.066 C \nATOM 5 C UNL 1 16.485 31.314 7.068 0.00 0.00 +0.089 C \nATOM 6 C UNL 1 16.887 30.084 6.530 0.00 0.00 +0.033 C \nATOM 7 C UNL 1 15.939 29.054 6.367 0.00 0.00 -0.045 C \nATOM 8 C UNL 1 16.393 27.739 5.789 0.00 0.00 +0.044 C \nATOM 9 N UNL 1 17.218 32.450 7.316 0.00 0.00 -0.236 NA\nATOM 10 C UNL 1 16.361 33.307 7.821 0.00 0.00 +0.197 C \nATOM 11 N UNL 1 15.106 32.775 7.908 0.00 0.00 -0.344 N \nATOM 12 H UNL 1 14.286 33.244 8.263 0.00 0.00 +0.167 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_11\nREMARK 2 A between atoms: C_11 and C_12\nREMARK 3 A between atoms: C_12 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.466 31.608 7.356 0.00 0.00 -0.017 C \nATOM 2 C UNL 1 17.384 31.026 8.209 0.00 0.00 +0.087 C \nATOM 3 N UNL 1 17.571 31.864 9.277 0.00 0.00 -0.360 N \nATOM 4 C UNL 1 16.780 32.981 9.145 0.00 0.00 +0.047 C \nATOM 5 C UNL 1 16.641 34.087 9.992 0.00 0.00 +0.026 C \nATOM 6 C UNL 1 15.764 35.100 9.597 0.00 0.00 +0.002 C \nATOM 7 C UNL 1 15.057 35.008 8.401 0.00 0.00 +0.001 C \nATOM 8 C UNL 1 15.206 33.895 7.566 0.00 0.00 +0.010 C \nATOM 9 C UNL 1 16.083 32.857 7.944 0.00 0.00 +0.003 C \nATOM 10 H UNL 1 18.199 31.698 10.053 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 11\nATOM 11 C UNL 1 15.964 31.037 6.073 0.00 0.00 +0.088 C \nBRANCH 11 12\nATOM 12 C UNL 1 15.613 29.554 6.228 0.00 0.00 +0.135 C \nBRANCH 12 14\nATOM 13 C UNL 1 13.762 27.943 5.767 0.00 0.00 +0.190 C \nATOM 14 N UNL 1 14.108 29.329 6.245 0.00 0.00 +0.231 N \nATOM 15 C UNL 1 13.481 29.609 7.583 0.00 0.00 +0.190 C \nATOM 16 H UNL 1 13.689 29.980 5.566 0.00 0.00 +0.203 HD\nENDBRANCH 12 14\nENDBRANCH 11 12\nENDBRANCH 1 11\nTORSDOF 3\n",
"type": "blob"
}
],
@@ -42136,7 +44906,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-5.9 kcal/mol"
+ "-6.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -42151,7 +44921,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.158 33.656 10.846 0.00 0.00 +0.044 C \nATOM 2 C UNL 1 16.731 33.049 9.534 0.00 0.00 -0.045 C \nATOM 3 C UNL 1 17.211 31.767 9.197 0.00 0.00 +0.031 C \nATOM 4 C UNL 1 16.802 31.229 7.977 0.00 0.00 +0.066 C \nATOM 5 C UNL 1 15.958 31.891 7.096 0.00 0.00 +0.089 C \nATOM 6 C UNL 1 15.484 33.165 7.433 0.00 0.00 +0.033 C \nATOM 7 C UNL 1 15.871 33.749 8.657 0.00 0.00 -0.045 C \nATOM 8 C UNL 1 15.347 35.118 9.002 0.00 0.00 +0.044 C \nATOM 9 N UNL 1 15.722 31.131 5.974 0.00 0.00 -0.236 NA\nATOM 10 C UNL 1 16.405 30.025 6.160 0.00 0.00 +0.197 C \nATOM 11 N UNL 1 17.072 30.037 7.352 0.00 0.00 -0.344 N \nATOM 12 H UNL 1 17.659 29.299 7.712 0.00 0.00 +0.167 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_11\nREMARK 2 A between atoms: C_11 and C_12\nREMARK 3 A between atoms: C_12 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.863 31.630 7.787 0.00 0.00 -0.017 C \nATOM 2 C UNL 1 14.606 31.279 8.241 0.00 0.00 +0.087 C \nATOM 3 N UNL 1 14.324 30.016 7.790 0.00 0.00 -0.360 N \nATOM 4 C UNL 1 15.380 29.528 7.058 0.00 0.00 +0.047 C \nATOM 5 C UNL 1 15.534 28.292 6.418 0.00 0.00 +0.026 C \nATOM 6 C UNL 1 16.724 28.066 5.723 0.00 0.00 +0.002 C \nATOM 7 C UNL 1 17.718 29.039 5.669 0.00 0.00 +0.001 C \nATOM 8 C UNL 1 17.549 30.269 6.315 0.00 0.00 +0.010 C \nATOM 9 C UNL 1 16.358 30.522 7.027 0.00 0.00 +0.003 C \nATOM 10 H UNL 1 13.464 29.509 7.961 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 11\nATOM 11 C UNL 1 16.571 32.917 8.048 0.00 0.00 +0.088 C \nBRANCH 11 12\nATOM 12 C UNL 1 17.031 33.008 9.507 0.00 0.00 +0.135 C \nBRANCH 12 14\nATOM 13 C UNL 1 15.541 34.998 9.286 0.00 0.00 +0.190 C \nATOM 14 N UNL 1 16.408 34.199 10.222 0.00 0.00 +0.231 N \nATOM 15 C UNL 1 15.650 33.815 11.463 0.00 0.00 +0.190 C \nATOM 16 H UNL 1 17.175 34.823 10.509 0.00 0.00 +0.203 HD\nENDBRANCH 12 14\nENDBRANCH 11 12\nENDBRANCH 1 11\nTORSDOF 3\n",
"type": "blob"
}
],
@@ -42172,7 +44942,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-5.8 kcal/mol"
+ "-6.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -42187,7 +44957,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 16.087 33.165 8.110 0.00 0.00 +0.044 C \nATOM 2 C UNL 1 15.921 31.823 7.443 0.00 0.00 -0.045 C \nATOM 3 C UNL 1 14.642 31.229 7.434 0.00 0.00 +0.031 C \nATOM 4 C UNL 1 14.516 29.986 6.813 0.00 0.00 +0.066 C \nATOM 5 C UNL 1 15.577 29.321 6.215 0.00 0.00 +0.089 C \nATOM 6 C UNL 1 16.846 29.914 6.227 0.00 0.00 +0.033 C \nATOM 7 C UNL 1 17.021 31.170 6.843 0.00 0.00 -0.045 C \nATOM 8 C UNL 1 18.394 31.790 6.842 0.00 0.00 +0.044 C \nATOM 9 N UNL 1 15.169 28.121 5.683 0.00 0.00 -0.236 NA\nATOM 10 C UNL 1 13.885 28.047 5.947 0.00 0.00 +0.197 C \nATOM 11 N UNL 1 13.446 29.148 6.627 0.00 0.00 -0.344 N \nATOM 12 H UNL 1 12.500 29.315 6.936 0.00 0.00 +0.167 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_11\nREMARK 2 A between atoms: C_11 and C_12\nREMARK 3 A between atoms: C_12 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.332 32.984 11.139 0.00 0.00 -0.017 C \nATOM 2 C UNL 1 17.894 31.779 10.764 0.00 0.00 +0.087 C \nATOM 3 N UNL 1 17.540 31.525 9.465 0.00 0.00 -0.360 N \nATOM 4 C UNL 1 16.763 32.549 8.977 0.00 0.00 +0.047 C \nATOM 5 C UNL 1 16.188 32.715 7.712 0.00 0.00 +0.026 C \nATOM 6 C UNL 1 15.423 33.863 7.493 0.00 0.00 +0.002 C \nATOM 7 C UNL 1 15.240 34.805 8.502 0.00 0.00 +0.001 C \nATOM 8 C UNL 1 15.824 34.625 9.762 0.00 0.00 +0.010 C \nATOM 9 C UNL 1 16.604 33.476 10.007 0.00 0.00 +0.003 C \nATOM 10 H UNL 1 17.802 30.704 8.933 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 11\nATOM 11 C UNL 1 17.465 33.648 12.468 0.00 0.00 +0.088 C \nBRANCH 11 12\nATOM 12 C UNL 1 16.207 33.443 13.317 0.00 0.00 +0.135 C \nBRANCH 12 14\nATOM 13 C UNL 1 14.385 34.574 14.596 0.00 0.00 +0.190 C \nATOM 14 N UNL 1 15.733 34.746 13.947 0.00 0.00 +0.231 N \nATOM 15 C UNL 1 16.726 35.332 14.914 0.00 0.00 +0.190 C \nATOM 16 H UNL 1 15.603 35.428 13.188 0.00 0.00 +0.203 HD\nENDBRANCH 12 14\nENDBRANCH 11 12\nENDBRANCH 1 11\nTORSDOF 3\n",
"type": "blob"
}
],
@@ -42208,7 +44978,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-5.8 kcal/mol"
+ "-6.4 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -42223,7 +44993,7 @@
"args": [
{
"binary": false,
- "data": "REMARK Name = =\nREMARK 0 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.529 35.096 9.243 0.00 0.00 +0.044 C \nATOM 2 C UNL 1 15.971 33.746 8.740 0.00 0.00 -0.045 C \nATOM 3 C UNL 1 15.461 33.287 7.508 0.00 0.00 +0.031 C \nATOM 4 C UNL 1 15.884 32.033 7.065 0.00 0.00 +0.066 C \nATOM 5 C UNL 1 16.770 31.234 7.773 0.00 0.00 +0.089 C \nATOM 6 C UNL 1 17.275 31.693 8.996 0.00 0.00 +0.033 C \nATOM 7 C UNL 1 16.875 32.954 9.484 0.00 0.00 -0.045 C \nATOM 8 C UNL 1 17.431 33.430 10.800 0.00 0.00 +0.044 C \nATOM 9 N UNL 1 17.011 30.056 7.106 0.00 0.00 -0.236 NA\nATOM 10 C UNL 1 16.290 30.128 6.011 0.00 0.00 +0.197 C \nATOM 11 N UNL 1 15.593 31.301 5.942 0.00 0.00 -0.344 N \nATOM 12 H UNL 1 14.974 31.580 5.195 0.00 0.00 +0.167 HD\nENDROOT\nTORSDOF 0\n",
+ "data": "REMARK Name = =\nREMARK 3 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and C_11\nREMARK 2 A between atoms: C_11 and C_12\nREMARK 3 A between atoms: C_12 and N_14\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 17.314 32.990 11.173 0.00 0.00 -0.017 C \nATOM 2 C UNL 1 17.892 31.784 10.829 0.00 0.00 +0.087 C \nATOM 3 N UNL 1 17.563 31.504 9.528 0.00 0.00 -0.360 N \nATOM 4 C UNL 1 16.789 32.515 9.009 0.00 0.00 +0.047 C \nATOM 5 C UNL 1 16.235 32.655 7.731 0.00 0.00 +0.026 C \nATOM 6 C UNL 1 15.467 33.793 7.478 0.00 0.00 +0.002 C \nATOM 7 C UNL 1 15.259 34.751 8.467 0.00 0.00 +0.001 C \nATOM 8 C UNL 1 15.820 34.597 9.740 0.00 0.00 +0.010 C \nATOM 9 C UNL 1 16.604 33.458 10.020 0.00 0.00 +0.003 C \nATOM 10 H UNL 1 17.840 30.676 9.016 0.00 0.00 +0.165 HD\nENDROOT\nBRANCH 1 11\nATOM 11 C UNL 1 17.419 33.678 12.492 0.00 0.00 +0.088 C \nBRANCH 11 12\nATOM 12 C UNL 1 17.750 32.683 13.609 0.00 0.00 +0.135 C \nBRANCH 12 14\nATOM 13 C UNL 1 20.080 32.578 14.499 0.00 0.00 +0.190 C \nATOM 14 N UNL 1 18.744 33.265 14.605 0.00 0.00 +0.231 N \nATOM 15 C UNL 1 18.895 34.757 14.491 0.00 0.00 +0.190 C \nATOM 16 H UNL 1 18.390 33.062 15.550 0.00 0.00 +0.203 HD\nENDBRANCH 12 14\nENDBRANCH 11 12\nENDBRANCH 1 11\nTORSDOF 3\n",
"type": "blob"
}
],
@@ -42244,7 +45014,7 @@
"kwargs": {
"backgroundColor": "black",
"labelText": [
- "-5.7 kcal/mol"
+ "-6.1 kcal/mol"
],
"labelType": "text",
"sele": "@0",
@@ -43311,104 +46081,1200 @@
"target": "compList",
"type": "call_method"
},
- {
- "args": [
- false
- ],
- "component_index": 97,
- "kwargs": {},
- "methodName": "setVisibility",
- "reconstruc_color_scheme": false,
- "target": "compList",
- "type": "call_method"
+ {
+ "args": [
+ false
+ ],
+ "component_index": 97,
+ "kwargs": {},
+ "methodName": "setVisibility",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ false
+ ],
+ "component_index": 98,
+ "kwargs": {},
+ "methodName": "setVisibility",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ false
+ ],
+ "component_index": 99,
+ "kwargs": {},
+ "methodName": "setVisibility",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ false
+ ],
+ "component_index": 100,
+ "kwargs": {},
+ "methodName": "setVisibility",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ true
+ ],
+ "component_index": 1,
+ "kwargs": {},
+ "methodName": "setVisibility",
+ "reconstruc_color_scheme": false,
+ "target": "compList",
+ "type": "call_method"
+ },
+ {
+ "args": [
+ "\n var protein = this.stage.compList[0];\n var ligand_center = this.stage.compList[1].structure.atomCenter();\n var around = protein.structure.getAtomSetWithinPoint(ligand_center, 6);\n var around_complete = protein.structure.getAtomSetWithinGroup(around);\n var last_repr = protein.reprList[protein.reprList.length-1];\n protein.removeRepresentation(last_repr);\n protein.addRepresentation(\"licorice\", {sele: around_complete.toSeleString()});\n "
+ ],
+ "kwargs": {},
+ "methodName": "executeCode",
+ "reconstruc_color_scheme": false,
+ "target": "Widget",
+ "type": "call_method"
+ }
+ ],
+ "_ngl_original_stage_parameters": {
+ "ambientColor": 14540253,
+ "ambientIntensity": 0.2,
+ "backgroundColor": "white",
+ "cameraEyeSep": 0.3,
+ "cameraFov": 40,
+ "cameraType": "perspective",
+ "clipDist": 10,
+ "clipFar": 100,
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- "target": "compList",
- "type": "call_method"
+ "13": {
+ "0": {
+ "params": {
+ "aspectRatio": 1.5,
+ "assembly": "default",
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
+ "clipCenter": {
+ "x": 0,
+ "y": 0,
+ "z": 0
+ },
+ "clipNear": 0,
+ "clipRadius": 0,
+ "colorMode": "hcl",
+ "colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "cylinderOnly": false,
+ "defaultAssembly": "",
+ "depthWrite": true,
+ "diffuse": 16777215,
+ "diffuseInterior": false,
+ "disableImpostor": false,
+ "disablePicking": false,
+ "flatShaded": false,
+ "interiorColor": 2236962,
+ "interiorDarkening": 0,
+ "lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
+ "matrix": {
+ "elements": [
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1
+ ]
+ },
+ "metalness": 0,
+ "multipleBond": "off",
+ "opacity": 1,
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 2,
+ "radiusSize": 0.15,
+ "radiusType": "size",
+ "roughness": 0.4,
+ "sele": "",
+ "side": "double",
+ "sphereDetail": 2,
+ "useInteriorColor": true,
+ "visible": false,
+ "wireframe": false
+ },
+ "type": "ball+stick"
+ },
+ "1": {
+ "params": {
+ "assembly": "default",
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
+ "clipCenter": {
+ "x": 0,
+ "y": 0,
+ "z": 0
+ },
+ "clipNear": 0,
+ "clipRadius": 0,
+ "colorMode": "hcl",
+ "colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
+ "depthWrite": true,
+ "diffuseInterior": false,
+ "disablePicking": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
+ "interiorColor": 2236962,
+ "interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-9.6 kcal/mol"
+ ],
+ "labelType": "text",
+ "lazy": false,
+ "matrix": {
+ "elements": [
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1
+ ]
+ },
+ "opacity": 1,
+ "quality": "medium",
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 1,
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
+ "useInteriorColor": false,
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
+ },
+ "type": "label"
+ }
},
- {
- "args": [
- "\n var protein = this.stage.compList[0];\n var ligand_center = this.stage.compList[1].structure.atomCenter();\n var around = protein.structure.getAtomSetWithinPoint(ligand_center, 6);\n var around_complete = protein.structure.getAtomSetWithinGroup(around);\n var last_repr = protein.reprList[protein.reprList.length-1];\n protein.removeRepresentation(last_repr);\n protein.addRepresentation(\"licorice\", {sele: around_complete.toSeleString()});\n "
- ],
- "kwargs": {},
- "methodName": "executeCode",
- "reconstruc_color_scheme": false,
- "target": "Widget",
- "type": "call_method"
- }
- ],
- "_ngl_original_stage_parameters": {
- "ambientColor": 14540253,
- "ambientIntensity": 0.2,
- "backgroundColor": "white",
- "cameraEyeSep": 0.3,
- "cameraFov": 40,
- "cameraType": "perspective",
- "clipDist": 10,
- "clipFar": 100,
- "clipNear": 0,
- "fogFar": 100,
- "fogNear": 50,
- "hoverTimeout": 0,
- "impostor": true,
- "lightColor": 14540253,
- "lightIntensity": 1,
- "mousePreset": "default",
- "panSpeed": 1,
- "quality": "medium",
- "rotateSpeed": 2,
- "sampleLevel": 0,
- "tooltip": true,
- "workerDefault": true,
- "zoomSpeed": 1.2
- },
- "_ngl_repr_dict": {
- "0": {
+ "14": {
"0": {
"params": {
- "aspectRatio": 5,
+ "aspectRatio": 1.5,
"assembly": "default",
- "capped": true,
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -43418,18 +47284,100 @@
"clipRadius": 0,
"colorMode": "hcl",
"colorReverse": false,
- "colorScale": "RdYlBu",
- "colorScheme": "chainname",
+ "colorScale": "",
+ "colorScheme": "element",
"colorValue": 9474192,
+ "cylinderOnly": false,
"defaultAssembly": "",
"depthWrite": true,
"diffuse": 16777215,
"diffuseInterior": false,
+ "disableImpostor": false,
"disablePicking": false,
"flatShaded": false,
"interiorColor": 2236962,
"interiorDarkening": 0,
"lazy": false,
+ "lineOnly": false,
+ "linewidth": 2,
+ "matrix": {
+ "elements": [
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1
+ ]
+ },
+ "metalness": 0,
+ "multipleBond": "off",
+ "opacity": 1,
+ "openEnded": true,
+ "quality": "high",
+ "radialSegments": 20,
+ "radiusData": {},
+ "radiusScale": 2,
+ "radiusSize": 0.15,
+ "radiusType": "size",
+ "roughness": 0.4,
+ "sele": "",
+ "side": "double",
+ "sphereDetail": 2,
+ "useInteriorColor": true,
+ "visible": false,
+ "wireframe": false
+ },
+ "type": "ball+stick"
+ },
+ "1": {
+ "params": {
+ "assembly": "default",
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
+ "clipCenter": {
+ "x": 0,
+ "y": 0,
+ "z": 0
+ },
+ "clipNear": 0,
+ "clipRadius": 0,
+ "colorMode": "hcl",
+ "colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
+ "depthWrite": true,
+ "diffuseInterior": false,
+ "disablePicking": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
+ "interiorColor": 2236962,
+ "interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-9.4 kcal/mol"
+ ],
+ "labelType": "text",
+ "lazy": false,
"matrix": {
"elements": [
1,
@@ -43450,31 +47398,31 @@
1
]
},
- "metalness": 0,
"opacity": 1,
- "quality": "high",
- "radialSegments": 20,
+ "quality": "medium",
"radiusData": {},
- "radiusScale": 0.7,
+ "radiusScale": 1,
"radiusSize": 1,
- "radiusType": "sstruc",
- "roughness": 0.4,
- "sele": "",
- "side": "double",
- "smoothSheet": false,
- "subdiv": 6,
- "tension": null,
- "useInteriorColor": true,
- "visible": true,
- "wireframe": false
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
+ "useInteriorColor": false,
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
},
- "type": "cartoon"
- },
- "1": {
+ "type": "label"
+ }
+ },
+ "15": {
+ "0": {
"params": {
- "aspectRatio": 1,
+ "aspectRatio": 1.5,
"assembly": "default",
- "bondScale": 0.4,
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -43484,8 +47432,8 @@
"clipRadius": 0,
"colorMode": "hcl",
"colorReverse": false,
- "colorScale": "RdYlBu",
- "colorScheme": "chainname",
+ "colorScale": "",
+ "colorScheme": "element",
"colorValue": 9474192,
"cylinderOnly": false,
"defaultAssembly": "",
@@ -43521,29 +47469,108 @@
]
},
"metalness": 0,
+ "multipleBond": "off",
"opacity": 1,
"openEnded": true,
"quality": "high",
"radialSegments": 20,
"radiusData": {},
- "radiusScale": 1,
- "radiusSize": 0.3,
+ "radiusScale": 2,
+ "radiusSize": 0.15,
"radiusType": "size",
"roughness": 0.4,
"sele": "",
"side": "double",
"sphereDetail": 2,
"useInteriorColor": true,
- "visible": true,
+ "visible": false,
"wireframe": false
},
- "type": "base"
+ "type": "ball+stick"
},
- "2": {
+ "1": {
"params": {
"assembly": "default",
- "bondScale": 0.4,
- "bondSpacing": 1,
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
+ "clipCenter": {
+ "x": 0,
+ "y": 0,
+ "z": 0
+ },
+ "clipNear": 0,
+ "clipRadius": 0,
+ "colorMode": "hcl",
+ "colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
+ "depthWrite": true,
+ "diffuseInterior": false,
+ "disablePicking": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
+ "interiorColor": 2236962,
+ "interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-9.3 kcal/mol"
+ ],
+ "labelType": "text",
+ "lazy": false,
+ "matrix": {
+ "elements": [
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1
+ ]
+ },
+ "opacity": 1,
+ "quality": "medium",
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 1,
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
+ "useInteriorColor": false,
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
+ },
+ "type": "label"
+ }
+ },
+ "16": {
+ "0": {
+ "params": {
+ "aspectRatio": 1.5,
+ "assembly": "default",
+ "bondScale": 0.3,
+ "bondSpacing": 0.75,
"clipCenter": {
"x": 0,
"y": 0,
@@ -43593,24 +47620,99 @@
"multipleBond": "off",
"opacity": 1,
"openEnded": true,
- "quality": "medium",
- "radialSegments": 10,
+ "quality": "high",
+ "radialSegments": 20,
"radiusData": {},
- "radiusScale": 1,
+ "radiusScale": 2,
"radiusSize": 0.15,
"radiusType": "size",
"roughness": 0.4,
- "sele": "@193,194,195,196,197,198,199,344,345,346,347,348,349,350,351,352,1109,1110,1111,1112,1113,1114,1115,1116,1117,1118,1119,1120,1121,1122,1123,1124,1125,1126,1127,1135,1136,1137,1138,1139,1140,1141,1142,1216,1217,1218,1219,1220,1221,1222,1223,1224,1225,1226,1227,1228,1229,1230",
+ "sele": "",
"side": "double",
- "sphereDetail": 1,
+ "sphereDetail": 2,
"useInteriorColor": true,
- "visible": true,
+ "visible": false,
"wireframe": false
},
- "type": "licorice"
+ "type": "ball+stick"
+ },
+ "1": {
+ "params": {
+ "assembly": "default",
+ "attachment": "bottom-left",
+ "backgroundColor": "black",
+ "backgroundMargin": 0.5,
+ "backgroundOpacity": 1,
+ "borderColor": "lightgrey",
+ "borderWidth": 0.15,
+ "clipCenter": {
+ "x": 0,
+ "y": 0,
+ "z": 0
+ },
+ "clipNear": 0,
+ "clipRadius": 0,
+ "colorMode": "hcl",
+ "colorReverse": false,
+ "colorScale": "",
+ "colorScheme": "element",
+ "colorValue": 9474192,
+ "defaultAssembly": "",
+ "depthWrite": true,
+ "diffuseInterior": false,
+ "disablePicking": false,
+ "fixedSize": false,
+ "fontFamily": "sans-serif",
+ "fontStyle": "normal",
+ "fontWeight": "bold",
+ "interiorColor": 2236962,
+ "interiorDarkening": 0,
+ "labelFormat": "",
+ "labelGrouping": "atom",
+ "labelText": [
+ "-9.3 kcal/mol"
+ ],
+ "labelType": "text",
+ "lazy": false,
+ "matrix": {
+ "elements": [
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1,
+ 0,
+ 0,
+ 0,
+ 0,
+ 1
+ ]
+ },
+ "opacity": 1,
+ "quality": "medium",
+ "radiusData": {},
+ "radiusScale": 1,
+ "radiusSize": 1,
+ "radiusType": "vdw",
+ "sele": "@0",
+ "showBackground": true,
+ "showBorder": false,
+ "useInteriorColor": false,
+ "visible": false,
+ "xOffset": 0,
+ "yOffset": 0,
+ "zOffset": 0.5
+ },
+ "type": "label"
}
},
- "1": {
+ "17": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -43677,7 +47779,7 @@
"side": "double",
"sphereDetail": 2,
"useInteriorColor": true,
- "visible": true,
+ "visible": false,
"wireframe": false
},
"type": "ball+stick"
@@ -43716,7 +47818,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-10.3 kcal/mol"
+ "-9.3 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -43750,7 +47852,7 @@
"showBackground": true,
"showBorder": false,
"useInteriorColor": false,
- "visible": true,
+ "visible": false,
"xOffset": 0,
"yOffset": 0,
"zOffset": 0.5
@@ -43758,7 +47860,7 @@
"type": "label"
}
},
- "10": {
+ "18": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -43864,7 +47966,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-8.1 kcal/mol"
+ "-9.2 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -43906,7 +48008,7 @@
"type": "label"
}
},
- "100": {
+ "19": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -44012,7 +48114,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-5.7 kcal/mol"
+ "-9.2 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -44054,7 +48156,7 @@
"type": "label"
}
},
- "11": {
+ "2": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -44160,7 +48262,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-8.1 kcal/mol"
+ "-10.3 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -44202,7 +48304,7 @@
"type": "label"
}
},
- "12": {
+ "20": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -44308,7 +48410,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-8.1 kcal/mol"
+ "-9.0 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -44350,7 +48452,7 @@
"type": "label"
}
},
- "13": {
+ "21": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -44456,7 +48558,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-8.0 kcal/mol"
+ "-9.0 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -44498,7 +48600,7 @@
"type": "label"
}
},
- "14": {
+ "22": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -44604,7 +48706,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-8.0 kcal/mol"
+ "-9.0 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -44646,7 +48748,7 @@
"type": "label"
}
},
- "15": {
+ "23": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -44752,7 +48854,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-8.0 kcal/mol"
+ "-8.9 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -44794,7 +48896,7 @@
"type": "label"
}
},
- "16": {
+ "24": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -44900,7 +49002,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-8.0 kcal/mol"
+ "-8.9 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -44942,7 +49044,7 @@
"type": "label"
}
},
- "17": {
+ "25": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -45048,7 +49150,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.9 kcal/mol"
+ "-8.8 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -45090,7 +49192,7 @@
"type": "label"
}
},
- "18": {
+ "26": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -45196,7 +49298,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.9 kcal/mol"
+ "-8.8 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -45238,7 +49340,7 @@
"type": "label"
}
},
- "19": {
+ "27": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -45344,7 +49446,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.9 kcal/mol"
+ "-8.8 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -45386,7 +49488,7 @@
"type": "label"
}
},
- "2": {
+ "28": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -45492,7 +49594,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-10.2 kcal/mol"
+ "-8.7 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -45534,7 +49636,7 @@
"type": "label"
}
},
- "20": {
+ "29": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -45640,7 +49742,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.9 kcal/mol"
+ "-8.7 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -45682,7 +49784,7 @@
"type": "label"
}
},
- "21": {
+ "3": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -45788,7 +49890,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.9 kcal/mol"
+ "-10.2 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -45830,7 +49932,7 @@
"type": "label"
}
},
- "22": {
+ "30": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -45936,7 +50038,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.8 kcal/mol"
+ "-8.6 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -45978,7 +50080,7 @@
"type": "label"
}
},
- "23": {
+ "31": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -46084,7 +50186,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.8 kcal/mol"
+ "-8.6 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -46126,7 +50228,7 @@
"type": "label"
}
},
- "24": {
+ "32": {
"0": {
"params": {
"aspectRatio": 1.5,
@@ -46232,7 +50334,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.8 kcal/mol"
+ "-8.6 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -46274,7 +50376,7 @@
"type": "label"
}
},
- "25": {
+ "33": {
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"aspectRatio": 1.5,
@@ -46380,7 +50482,7 @@
"labelFormat": "",
"labelGrouping": "atom",
"labelText": [
- "-7.8 kcal/mol"
+ "-8.6 kcal/mol"
],
"labelType": "text",
"lazy": false,
@@ -46422,7 +50524,7 @@
"type": "label"
}
},
- "26": {
+ "34": {
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"params": {
"aspectRatio": 1.5,
@@ -46528,7 +50630,7 @@
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+ "data": "HEADER TRANSFERASE/TRANSFERASE INHIBITOR 07-DEC-12 3W32\nTITLE MDANALYSIS FRAME 0: Created by PDBWriter\nCOMPND MOL_ID: 1;\nCOMPND 2 MOLECULE: EPIDERMAL GROWTH FACTOR RECEPTOR;\nCOMPND 3 CHAIN: A;\nCOMPND 4 FRAGMENT: KINASE DOMAIN, UNP RESIDUES 696-1022;\nCOMPND 5 SYNONYM: PROTO-ONCOGENE C-ERBB-1, RECEPTOR TYROSINE-PROTEIN KINASE\nCOMPND 6 ERBB-1;\nCOMPND 7 EC: 2.7.10.1;\nCOMPND 8 ENGINEERED: YES\nREMARK 2\nREMARK 2 RESOLUTION. 1.80 ANGSTROMS.\nREMARK 3\nREMARK 3 REFINEMENT.\nREMARK 3 PROGRAM : REFMAC 5.7.0029\nREMARK 3 AUTHORS : MURSHUDOV,VAGIN,DODSON\nREMARK 3\nREMARK 3 REFINEMENT TARGET : MAXIMUM LIKELIHOOD\nREMARK 3\nREMARK 3 DATA USED IN REFINEMENT.\nREMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80\nREMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 40.00\nREMARK 3 DATA CUTOFF (SIGMA(F)) : NULL\nREMARK 3 COMPLETENESS FOR RANGE (%) : 99.0\nREMARK 3 NUMBER OF REFLECTIONS : 29096\nREMARK 3\nREMARK 3 FIT TO DATA USED IN REFINEMENT.\nREMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT\nREMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM\nREMARK 3 R VALUE (WORKING + TEST SET) : 0.202\nREMARK 3 R VALUE (WORKING SET) : 0.200\nREMARK 3 FREE R VALUE : 0.236\nREMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.000\nREMARK 3 FREE R VALUE TEST SET COUNT : 1539\nREMARK 3\nREMARK 3 FIT IN THE HIGHEST RESOLUTION BIN.\nREMARK 3 TOTAL NUMBER OF BINS USED : 20\nREMARK 3 BIN RESOLUTION RANGE HIGH (A) : 1.80\nREMARK 3 BIN RESOLUTION RANGE LOW (A) : 1.85\nREMARK 3 REFLECTION IN BIN (WORKING SET) : 2043\nREMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 95.73\nREMARK 3 BIN R VALUE (WORKING SET) : 0.3070\nREMARK 3 BIN FREE R VALUE SET COUNT : 110\nREMARK 3 BIN FREE R VALUE : 0.3440\nREMARK 3\nREMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.\nREMARK 3 PROTEIN ATOMS : 2545\nREMARK 3 NUCLEIC ACID ATOMS : 0\nREMARK 3 HETEROGEN ATOMS : 44\nREMARK 3 SOLVENT ATOMS : 82\nREMARK 3\nREMARK 3 B VALUES.\nREMARK 3 FROM WILSON PLOT (A**2) : NULL\nREMARK 3 MEAN B VALUE (OVERALL, A**2) : 46.45\nREMARK 3 OVERALL ANISOTROPIC B VALUE.\nREMARK 3 B11 (A**2) : 3.86000\nREMARK 3 B22 (A**2) : 0.11000\nREMARK 3 B33 (A**2) : -3.97000\nREMARK 3 B12 (A**2) : -0.00000\nREMARK 3 B13 (A**2) : -0.00000\nREMARK 3 B23 (A**2) : -0.00000\nREMARK 3\nREMARK 3 ESTIMATED OVERALL COORDINATE ERROR.\nREMARK 3 ESU BASED ON R VALUE (A): 0.141\nREMARK 3 ESU BASED ON FREE R VALUE (A): 0.131\nREMARK 3 ESU BASED ON MAXIMUM LIKELIHOOD (A): 0.103\nREMARK 3 ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): 6.930\nREMARK 3\nREMARK 3 CORRELATION COEFFICIENTS.\nREMARK 3 CORRELATION COEFFICIENT FO-FC : 0.962\nREMARK 3 CORRELATION COEFFICIENT FO-FC FREE : 0.943\nREMARK 3\nREMARK 3 RMS DEVIATIONS FROM IDEAL VALUES COUNT RMS WEIGHT\nREMARK 3 BOND LENGTHS REFINED ATOMS (A): 2647 ; 0.009 ; 0.019\nREMARK 3 BOND LENGTHS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 BOND ANGLES REFINED ATOMS (DEGREES): 3587 ; 1.362 ; 1.995\nREMARK 3 BOND ANGLES OTHERS (DEGREES): NULL ; NULL ; NULL\nREMARK 3 TORSION ANGLES, PERIOD 1 (DEGREES): 316 ; 5.462 ; 5.000\nREMARK 3 TORSION ANGLES, PERIOD 2 (DEGREES): 114 ;34.868 ;24.123\nREMARK 3 TORSION ANGLES, PERIOD 3 (DEGREES): 481 ;14.009 ;15.000\nREMARK 3 TORSION ANGLES, PERIOD 4 (DEGREES): 16 ;16.236 ;15.000\nREMARK 3 CHIRAL-CENTER RESTRAINTS (A**3): 393 ; 0.092 ; 0.200\nREMARK 3 GENERAL PLANES REFINED ATOMS (A): 2017 ; 0.006 ; 0.021\nREMARK 3 GENERAL PLANES OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED CONTACTS OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 NON-BONDED TORSION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 H-BOND (X...Y) OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 POTENTIAL METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY VDW OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY H-BOND OTHERS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION REFINED ATOMS (A): NULL ; NULL ; NULL\nREMARK 3 SYMMETRY METAL-ION OTHERS (A): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 MAIN-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 MAIN-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN BOND OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SIDE-CHAIN ANGLE OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B REFINED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 LONG RANGE B OTHER ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 ANISOTROPIC THERMAL FACTOR RESTRAINTS. COUNT RMS WEIGHT\nREMARK 3 RIGID-BOND RESTRAINTS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; FREE ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3 SPHERICITY; BONDED ATOMS (A**2): NULL ; NULL ; NULL\nREMARK 3\nREMARK 3 NCS RESTRAINTS STATISTICS\nREMARK 3 NUMBER OF DIFFERENT NCS GROUPS : NULL\nREMARK 3\nREMARK 3 TLS DETAILS\nREMARK 3 NUMBER OF TLS GROUPS : 1\nREMARK 3\nREMARK 3 TLS GROUP : 1\nREMARK 3 NUMBER OF COMPONENTS GROUP : 2\nREMARK 3 COMPONENTS C SSSEQI TO C SSSEQI\nREMARK 3 RESIDUE RANGE : A 701 A 1017\nREMARK 3 RESIDUE RANGE : A 1101 A 1101\nREMARK 3 ORIGIN FOR THE GROUP (A): 18.7873 25.9155 14.3167\nREMARK 3 T TENSOR\nREMARK 3 T11: 0.0200 T22: 0.0753\nREMARK 3 T33: 0.1267 T12: 0.0062\nREMARK 3 T13: 0.0065 T23: -0.0066\nREMARK 3 L TENSOR\nREMARK 3 L11: 0.1474 L22: 0.8224\nREMARK 3 L33: 0.5626 L12: 0.1030\nREMARK 3 L13: 0.2626 L23: -0.0418\nREMARK 3 S TENSOR\nREMARK 3 S11: -0.0344 S12: -0.0030 S13: -0.0099\nREMARK 3 S21: 0.0695 S22: 0.0195 S23: 0.0685\nREMARK 3 S31: -0.0921 S32: -0.0269 S33: 0.0149\nREMARK 3\nREMARK 3 BULK SOLVENT MODELLING.\nREMARK 3 METHOD USED : MASK\nREMARK 3 PARAMETERS FOR MASK CALCULATION\nREMARK 3 VDW PROBE RADIUS : 1.40\nREMARK 3 ION PROBE RADIUS : 0.80\nREMARK 3 SHRINKAGE RADIUS : 0.80\nREMARK 3\nREMARK 3 OTHER REFINEMENT REMARKS: NULL\nREMARK 4\nREMARK 4 3W32 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11\nREMARK 100\nREMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 19-DEC-12.\nREMARK 100 THE RCSB ID CODE IS RCSB095823.\nREMARK 200\nREMARK 200 EXPERIMENTAL DETAILS\nREMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION\nREMARK 200 DATE OF DATA COLLECTION : 21-DEC-11\nREMARK 200 TEMPERATURE (KELVIN) : 100\nREMARK 200 PH : 5.5\nREMARK 200 NUMBER OF CRYSTALS USED : 1\nREMARK 200\nREMARK 200 SYNCHROTRON (Y/N) : Y\nREMARK 200 RADIATION SOURCE : ALS\nREMARK 200 BEAMLINE : 5.0.3\nREMARK 200 X-RAY GENERATOR MODEL : NULL\nREMARK 200 MONOCHROMATIC OR LAUE (M/L) : M\nREMARK 200 WAVELENGTH OR RANGE (A) : 0.97649\nREMARK 200 MONOCHROMATOR : NULL\nREMARK 200 OPTICS : NULL\nREMARK 200\nREMARK 200 DETECTOR TYPE : CCD\nREMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315R\nREMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000\nREMARK 200 DATA SCALING SOFTWARE : HKL-2000\nREMARK 200\nREMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30817\nREMARK 200 RESOLUTION RANGE HIGH (A) : 1.800\nREMARK 200 RESOLUTION RANGE LOW (A) : 50.000\nREMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL\nREMARK 200\nREMARK 200 OVERALL.\nREMARK 200 COMPLETENESS FOR RANGE (%) : 99.7\nREMARK 200 DATA REDUNDANCY : 4.800\nREMARK 200 R MERGE (I) : NULL\nREMARK 200 R SYM (I) : 0.05400\nREMARK 200 FOR THE DATA SET : 26.1000\nREMARK 200\nREMARK 200 IN THE HIGHEST RESOLUTION SHELL.\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.80\nREMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.83\nREMARK 200 COMPLETENESS FOR SHELL (%) : 99.9\nREMARK 200 DATA REDUNDANCY IN SHELL : 4.90\nREMARK 200 R MERGE FOR SHELL (I) : NULL\nREMARK 200 R SYM FOR SHELL (I) : 0.89800\nREMARK 200 FOR SHELL : 2.000\nREMARK 200\nREMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH\nREMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT\nREMARK 200 SOFTWARE USED: MOLREP\nREMARK 200 STARTING MODEL: 1XKK\nREMARK 200\nREMARK 200 REMARK: NULL\nREMARK 280\nREMARK 280 CRYSTAL\nREMARK 280 SOLVENT CONTENT, VS (%): 43.59\nREMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.18\nREMARK 280\nREMARK 280 CRYSTALLIZATION CONDITIONS: 0.1M MES, 0.2M LITHIUM SULFATE,\nREMARK 25%\nREMARK 280 PEG 3350, PH 5.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE\nREMARK 298K\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY\nREMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21\nREMARK 290\nREMARK 290 SYMOP SYMMETRY\nREMARK 290 NNNMMM OPERATOR\nREMARK 290 1555 X,Y,Z\nREMARK 290 2555 -X+1/2,-Y,Z+1/2\nREMARK 290 3555 -X,Y+1/2,-Z+1/2\nREMARK 290 4555 X+1/2,-Y+1/2,-Z\nREMARK 290\nREMARK 290 WHERE NNN -> OPERATOR NUMBER\nREMARK 290 MMM -> TRANSLATION VECTOR\nREMARK 290\nREMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS\nREMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM\nREMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY\nREMARK 290 RELATED MOLECULES.\nREMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000\nREMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 51.63650\nREMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000\nREMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 51.63650\nREMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 23.22150\nREMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 34.15300\nREMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000\nREMARK 290\nREMARK 290 REMARK: NULL\nREMARK 300\nREMARK 300 BIOMOLECULE: 1\nREMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM\nREMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN\nREMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON\nREMARK 300 BURIED SURFACE AREA.\nREMARK 350\nREMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN\nREMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE\nREMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS\nREMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND\nREMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.\nREMARK 350\nREMARK 350 BIOMOLECULE: 1\nREMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC\nREMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC\nREMARK 350 SOFTWARE USED: PISA\nREMARK 350 APPLY THE FOLLOWING TO CHAINS: A\nREMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000\nREMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000\nREMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000\nREMARK 465\nREMARK 465 MISSING RESIDUES\nREMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE\nREMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN\nREMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)\nREMARK 465\nREMARK 465 M RES C SSSEQI\nREMARK 465 GLY A 693\nREMARK 465 ALA A 694\nREMARK 465 MET A 695\nREMARK 465 GLY A 696\nREMARK 465 GLU A 697\nREMARK 465 ALA A 698\nREMARK 465 PRO A 699\nREMARK 465 ASN A 700\nREMARK 465 ILE A 1018\nREMARK 465 PRO A 1019\nREMARK 465 GLN A 1020\nREMARK 465 GLN A 1021\nREMARK 465 GLY A 1022\nREMARK 500\nREMARK 500 GEOMETRY AND STEREOCHEMISTRY\nREMARK 500 SUBTOPIC: TORSION ANGLES\nREMARK 500\nREMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:\nREMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;\nREMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).\nREMARK 500\nREMARK 500 STANDARD TABLE:\nREMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)\nREMARK 500\nREMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-\nREMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400\nREMARK 500\nREMARK 500 M RES CSSEQI PSI PHI\nREMARK 500 LEU A 718 -61.72 -97.29\nREMARK 500 THR A 783 -130.68 -137.24\nREMARK 500 ARG A 836 -4.36 76.05\nREMARK 500 ASP A 837 39.52 -148.74\nREMARK 500 ARG A 986 60.75 -100.19\nREMARK 500 ASP A1008 -90.39 -70.75\nREMARK 500\nREMARK 500 REMARK: NULL\nREMARK 800\nREMARK 800 SITE\nREMARK 800 SITE_IDENTIFIER: AC1\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE W32 A 1101\nREMARK 800\nREMARK 800 SITE_IDENTIFIER: AC2\nREMARK 800 EVIDENCE_CODE: SOFTWARE\nREMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A 1102\nREMARK 900\nREMARK 900 RELATED ENTRIES\nREMARK 900 RELATED ID: 3POZ RELATED DB: PDB\nREMARK 900 RELATED ID: 3W33 RELATED DB: PDB\nCRYST1 46.443 68.306 103.273 90.00 90.00 90.00 P 1 1\nATOM 1 N GLN A 701 -0.023 33.326 -4.411 1.00 47.95 A N\nATOM 2 CA GLN A 701 -0.291 31.978 -3.835 1.00 50.95 A C\nATOM 3 C GLN A 701 0.946 31.062 -3.957 1.00 47.20 A C\nATOM 4 O GLN A 701 0.876 29.863 -3.659 1.00 47.25 A O\nATOM 5 CB GLN A 701 -1.501 31.341 -4.517 1.00 64.85 A C\nATOM 6 CG GLN A 701 -2.441 30.619 -3.562 1.00 84.93 A C\nATOM 7 CD GLN A 701 -3.514 29.816 -4.282 1.00102.47 A C\nATOM 8 OE1 GLN A 701 -4.681 30.215 -4.329 1.00 95.64 A O\nATOM 9 NE2 GLN A 701 -3.123 28.679 -4.849 1.00100.38 A N\nATOM 10 N ALA A 702 2.069 31.642 -4.384 1.00 45.71 A N\nATOM 11 CA ALA A 702 3.343 30.929 -4.498 1.00 43.17 A C\nATOM 12 C ALA A 702 3.775 30.322 -3.161 1.00 47.99 A C\nATOM 13 O ALA A 702 3.538 30.924 -2.110 1.00 44.37 A O\nATOM 14 CB ALA A 702 4.416 31.882 -5.023 1.00 42.30 A C\nATOM 15 N LEU A 703 4.401 29.139 -3.199 1.00 38.24 A N\nATOM 16 CA LEU A 703 5.009 28.552 -2.003 1.00 37.89 A C\nATOM 17 C LEU A 703 6.142 29.430 -1.494 1.00 37.81 A C\nATOM 18 O LEU A 703 6.222 29.735 -0.302 1.00 39.19 A O\nATOM 19 CB LEU A 703 5.530 27.130 -2.289 1.00 36.07 A C\nATOM 20 CG LEU A 703 5.658 26.188 -1.082 1.00 46.85 A C\nATOM 21 CD1 LEU A 703 4.475 26.310 -0.125 1.00 49.71 A C\nATOM 22 CD2 LEU A 703 5.791 24.740 -1.541 1.00 44.12 A C\nATOM 23 N LEU A 704 7.016 29.822 -2.415 1.00 33.81 A N\nATOM 24 CA LEU A 704 8.054 30.799 -2.155 1.00 32.97 A C\nATOM 25 C LEU A 704 7.590 32.151 -2.677 1.00 34.88 A C\nATOM 26 O LEU A 704 7.644 32.424 -3.878 1.00 34.62 A O\nATOM 27 CB LEU A 704 9.371 30.386 -2.831 1.00 33.39 A C\nATOM 28 CG LEU A 704 10.591 31.295 -2.585 1.00 38.51 A C\nATOM 29 CD1 LEU A 704 10.953 31.361 -1.104 1.00 34.30 A C\nATOM 30 CD2 LEU A 704 11.796 30.854 -3.421 1.00 39.10 A C\nATOM 31 N ARG A 705 7.120 33.006 -1.775 1.00 35.37 A N\nATOM 32 CA ARG A 705 6.680 34.346 -2.183 1.00 37.73 A C\nATOM 33 C ARG A 705 7.840 35.253 -2.555 1.00 41.05 A C\nATOM 34 O ARG A 705 8.844 35.319 -1.838 1.00 40.80 A O\nATOM 35 CB ARG A 705 5.837 34.997 -1.093 1.00 46.62 A C\nATOM 36 CG ARG A 705 4.460 34.388 -0.965 1.00 48.65 A C\nATOM 37 CD ARG A 705 3.829 34.763 0.358 1.00 65.57 A C\nATOM 38 NE ARG A 705 2.514 35.377 0.173 1.00 86.68 A N\nATOM 39 CZ ARG A 705 1.353 34.757 0.356 1.00 93.12 A C\nATOM 40 NH1 ARG A 705 1.317 33.485 0.736 1.00 98.53 A N\nATOM 41 NH2 ARG A 705 0.220 35.417 0.161 1.00 92.67 A N\nATOM 42 N ILE A 706 7.698 35.943 -3.686 1.00 39.60 A N\nATOM 43 CA ILE A 706 8.700 36.898 -4.116 1.00 43.49 A C\nATOM 44 C ILE A 706 8.207 38.234 -3.610 1.00 47.29 A C\nATOM 45 O ILE A 706 7.260 38.798 -4.160 1.00 44.25 A O\nATOM 46 CB ILE A 706 8.837 36.961 -5.649 1.00 52.42 A C\nATOM 47 CG1 ILE A 706 9.004 35.559 -6.256 1.00 51.04 A C\nATOM 48 CG2 ILE A 706 9.975 37.897 -6.048 1.00 53.78 A C\nATOM 49 CD1 ILE A 706 10.122 34.729 -5.654 1.00 43.80 A C\nATOM 50 N LEU A 707 8.836 38.729 -2.552 1.00 44.78 A N\nATOM 51 CA LEU A 707 8.365 39.947 -1.911 1.00 45.23 A C\nATOM 52 C LEU A 707 9.109 41.154 -2.458 1.00 51.28 A C\nATOM 53 O LEU A 707 10.318 41.092 -2.692 1.00 49.23 A O\nATOM 54 CB LEU A 707 8.544 39.881 -0.391 1.00 47.65 A C\nATOM 55 CG LEU A 707 8.012 38.705 0.428 1.00 54.52 A C\nATOM 56 CD1 LEU A 707 8.324 38.928 1.896 1.00 43.38 A C\nATOM 57 CD2 LEU A 707 6.521 38.497 0.232 1.00 44.93 A C\nATOM 58 N LYS A 708 8.366 42.237 -2.676 1.00 49.18 A N\nATOM 59 CA LYS A 708 8.936 43.529 -3.035 1.00 61.50 A C\nATOM 60 C LYS A 708 9.393 44.224 -1.768 1.00 50.76 A C\nATOM 61 O LYS A 708 8.770 44.070 -0.717 1.00 45.43 A O\nATOM 62 CB LYS A 708 7.891 44.407 -3.729 1.00 62.24 A C\nATOM 63 CG LYS A 708 7.556 44.004 -5.157 1.00 77.38 A C\nATOM 64 CD LYS A 708 6.048 43.943 -5.381 1.00 92.20 A C\nATOM 65 CE LYS A 708 5.334 45.228 -4.984 1.00 96.25 A C\nATOM 66 NZ LYS A 708 3.853 45.097 -5.081 1.00100.00 A N\nATOM 67 N GLU A 709 10.473 44.994 -1.879 1.00 51.48 A N\nATOM 68 CA GLU A 709 11.019 45.768 -0.758 1.00 53.55 A C\nATOM 69 C GLU A 709 9.963 46.612 -0.044 1.00 57.51 A C\nATOM 70 O GLU A 709 10.016 46.795 1.175 1.00 53.23 A O\nATOM 71 CB GLU A 709 12.169 46.651 -1.235 1.00 59.31 A C\nATOM 72 CG GLU A 709 13.434 45.873 -1.562 1.00 72.06 A C\nATOM 73 CD GLU A 709 14.597 46.768 -1.940 1.00 93.68 A C\nATOM 74 OE1 GLU A 709 15.553 46.867 -1.141 1.00 83.68 A O\nATOM 75 OE2 GLU A 709 14.556 47.370 -3.037 1.00102.62 A O\nATOM 76 N THR A 710 9.000 47.113 -0.809 1.00 57.55 A N\nATOM 77 CA THR A 710 7.909 47.910 -0.252 1.00 61.28 A C\nATOM 78 C THR A 710 6.964 47.093 0.638 1.00 54.24 A C\nATOM 79 O THR A 710 6.198 47.661 1.416 1.00 57.81 A O\nATOM 80 CB THR A 710 7.093 48.606 -1.364 1.00 63.46 A C\nATOM 81 OG1 THR A 710 6.576 47.624 -2.275 1.00 63.38 A O\nATOM 82 CG2 THR A 710 7.958 49.614 -2.128 1.00 61.93 A C\nATOM 83 N GLU A 711 7.034 45.765 0.530 1.00 50.22 A N\nATOM 84 CA GLU A 711 6.124 44.862 1.239 1.00 56.68 A C\nATOM 85 C GLU A 711 6.551 44.536 2.659 1.00 57.72 A C\nATOM 86 O GLU A 711 5.754 44.024 3.451 1.00 52.39 A O\nATOM 87 CB GLU A 711 6.023 43.535 0.507 1.00 61.93 A C\nATOM 88 CG GLU A 711 5.118 43.514 -0.698 1.00 62.49 A C\nATOM 89 CD GLU A 711 5.016 42.116 -1.252 1.00 59.26 A C\nATOM 90 OE1 GLU A 711 5.574 41.880 -2.337 1.00 54.03 A O\nATOM 91 OE2 GLU A 711 4.413 41.250 -0.581 1.00 74.56 A O\nATOM 92 N PHE A 712 7.816 44.782 2.967 1.00 48.75 A N\nATOM 93 CA PHE A 712 8.343 44.449 4.291 1.00 54.26 A C\nATOM 94 C PHE A 712 9.321 45.508 4.795 1.00 45.27 A C\nATOM 95 O PHE A 712 9.920 46.235 4.000 1.00 48.92 A O\nATOM 96 CB PHE A 712 8.976 43.045 4.294 1.00 46.56 A C\nATOM 97 CG PHE A 712 10.222 42.928 3.457 1.00 42.91 A C\nATOM 98 CD1 PHE A 712 11.483 43.010 4.046 1.00 51.07 A C\nATOM 99 CD2 PHE A 712 10.147 42.734 2.077 1.00 46.22 A C\nATOM 100 CE1 PHE A 712 12.644 42.902 3.285 1.00 44.32 A C\nATOM 101 CE2 PHE A 712 11.308 42.632 1.312 1.00 42.45 A C\nATOM 102 CZ PHE A 712 12.558 42.714 1.917 1.00 46.72 A C\nATOM 103 N LYS A 713 9.481 45.577 6.115 1.00 46.12 A N\nATOM 104 CA LYS A 713 10.320 46.606 6.756 1.00 45.30 A C\nATOM 105 C LYS A 713 11.170 46.000 7.867 1.00 49.56 A C\nATOM 106 O LYS A 713 10.647 45.280 8.717 1.00 45.46 A O\nATOM 107 CB LYS A 713 9.456 47.720 7.356 1.00 49.90 A C\nATOM 108 CG LYS A 713 8.771 48.628 6.353 1.00 61.39 A C\nATOM 109 CD LYS A 713 7.824 49.599 7.050 1.00 81.27 A C\nATOM 110 CE LYS A 713 6.888 50.280 6.056 1.00 69.86 A C\nATOM 111 NZ LYS A 713 6.043 51.324 6.705 1.00 75.33 A N\nATOM 112 N LYS A 714 12.471 46.301 7.847 1.00 42.35 A N\nATOM 113 CA LYS A 714 13.389 45.951 8.930 1.00 46.11 A C\nATOM 114 C LYS A 714 13.160 46.943 10.061 1.00 49.85 A C\nATOM 115 O LYS A 714 13.256 48.154 9.856 1.00 46.66 A O\nATOM 116 CB LYS A 714 14.845 46.063 8.477 1.00 49.54 A C\nATOM 117 CG LYS A 714 15.287 45.129 7.369 1.00 53.76 A C\nATOM 118 CD LYS A 714 16.780 45.310 7.156 1.00 53.79 A C\nATOM 119 CE LYS A 714 17.258 44.686 5.862 1.00 52.83 A C\nATOM 120 NZ LYS A 714 16.787 45.457 4.676 1.00 51.68 A N\nATOM 121 N ILE A 715 12.852 46.439 11.251 1.00 41.67 A N\nATOM 122 CA ILE A 715 12.489 47.317 12.368 1.00 48.15 A C\nATOM 123 C ILE A 715 13.658 47.486 13.336 1.00 52.85 A C\nATOM 124 O ILE A 715 14.015 48.611 13.693 1.00 49.85 A O\nATOM 125 CB ILE A 715 11.191 46.843 13.061 1.00 41.49 A C\nATOM 126 CG1 ILE A 715 10.029 47.003 12.077 1.00 54.99 A C\nATOM 127 CG2 ILE A 715 10.918 47.629 14.339 1.00 47.96 A C\nATOM 128 CD1 ILE A 715 8.670 46.667 12.641 1.00 54.20 A C\nATOM 129 N LYS A 716 14.260 46.369 13.744 1.00 43.46 A N\nATOM 130 CA LYS A 716 15.429 46.392 14.621 1.00 42.49 A C\nATOM 131 C LYS A 716 16.392 45.271 14.247 1.00 45.76 A C\nATOM 132 O LYS A 716 15.983 44.237 13.719 1.00 37.65 A O\nATOM 133 CB LYS A 716 15.018 46.242 16.094 1.00 41.41 A C\nATOM 134 CG LYS A 716 14.316 47.443 16.710 1.00 50.17 A C\nATOM 135 CD LYS A 716 15.288 48.548 17.111 1.00 45.61 A C\nATOM 136 CE LYS A 716 14.606 49.912 17.154 1.00 50.59 A C\nATOM 137 NZ LYS A 716 13.715 50.066 18.332 1.00 57.19 A N\nATOM 138 N VAL A 717 17.673 45.475 14.541 1.00 41.16 A N\nATOM 139 CA VAL A 717 18.678 44.442 14.362 1.00 44.05 A C\nATOM 140 C VAL A 717 18.537 43.387 15.446 1.00 43.45 A C\nATOM 141 O VAL A 717 18.310 43.709 16.608 1.00 42.18 A O\nATOM 142 CB VAL A 717 20.107 45.009 14.449 1.00 51.16 A C\nATOM 143 CG1 VAL A 717 21.126 43.887 14.314 1.00 47.71 A C\nATOM 144 CG2 VAL A 717 20.336 46.059 13.379 1.00 50.70 A C\nATOM 145 N LEU A 718 18.670 42.119 15.068 1.00 37.54 A N\nATOM 146 CA LEU A 718 18.797 41.074 16.067 1.00 33.15 A C\nATOM 147 C LEU A 718 20.279 40.757 16.246 1.00 37.30 A C\nATOM 148 O LEU A 718 20.810 40.967 17.326 1.00 35.69 A O\nATOM 149 CB LEU A 718 17.938 39.850 15.721 1.00 36.59 A C\nATOM 150 CG LEU A 718 16.428 40.166 15.737 1.00 36.86 A C\nATOM 151 CD1 LEU A 718 15.544 39.021 15.239 1.00 37.85 A C\nATOM 152 CD2 LEU A 718 15.991 40.593 17.131 1.00 43.64 A C\nATOM 153 N GLY A 719 20.953 40.292 15.192 1.00 36.46 A N\nATOM 154 CA GLY A 719 22.388 39.991 15.276 1.00 44.27 A C\nATOM 155 C GLY A 719 23.000 39.439 14.002 1.00 57.08 A C\nATOM 156 O GLY A 719 22.282 39.077 13.066 1.00 53.06 A O\nATOM 157 N SER A 720 24.332 39.364 13.984 1.00 50.75 A N\nATOM 158 CA SER A 720 25.091 38.813 12.856 1.00 51.92 A C\nATOM 159 C SER A 720 25.623 37.404 13.118 1.00 49.94 A C\nATOM 160 O SER A 720 25.669 36.937 14.256 1.00 55.24 A O\nATOM 161 CB SER A 720 26.258 39.736 12.495 1.00 63.92 A C\nATOM 162 OG SER A 720 25.807 40.883 11.797 1.00 68.03 A O\nATOM 163 N GLY A 721 26.029 36.737 12.043 1.00 57.18 A N\nATOM 164 CA GLY A 721 26.598 35.399 12.113 1.00 57.01 A C\nATOM 165 C GLY A 721 27.510 35.199 10.922 1.00 63.27 A C\nATOM 166 O GLY A 721 27.672 36.108 10.098 1.00 61.34 A O\nATOM 167 N ALA A 722 28.107 34.012 10.835 1.00 71.41 A N\nATOM 168 CA ALA A 722 28.983 33.644 9.716 1.00 73.15 A C\nATOM 169 C ALA A 722 28.313 33.834 8.352 1.00 71.72 A C\nATOM 170 O ALA A 722 28.929 34.359 7.417 1.00 59.12 A O\nATOM 171 CB ALA A 722 29.472 32.207 9.870 1.00 75.65 A C\nATOM 172 N PHE A 723 27.048 33.425 8.245 1.00 55.28 A N\nATOM 173 CA PHE A 723 26.364 33.451 6.959 1.00 45.36 A C\nATOM 174 C PHE A 723 25.582 34.728 6.671 1.00 48.16 A C\nATOM 175 O PHE A 723 25.209 34.967 5.523 1.00 48.85 A O\nATOM 176 CB PHE A 723 25.478 32.207 6.773 1.00 54.29 A C\nATOM 177 CG PHE A 723 26.238 30.908 6.806 1.00 54.47 A C\nATOM 178 CD1 PHE A 723 25.767 29.831 7.558 1.00 50.67 A C\nATOM 179 CD2 PHE A 723 27.441 30.759 6.102 1.00 49.42 A C\nATOM 180 CE1 PHE A 723 26.475 28.635 7.608 1.00 55.72 A C\nATOM 181 CE2 PHE A 723 28.142 29.562 6.141 1.00 43.55 A C\nATOM 182 CZ PHE A 723 27.667 28.504 6.905 1.00 48.56 A C\nATOM 183 N GLY A 724 25.325 35.543 7.693 1.00 43.86 A N\nATOM 184 CA GLY A 724 24.590 36.788 7.469 1.00 31.49 A C\nATOM 185 C GLY A 724 24.017 37.449 8.711 1.00 41.98 A C\nATOM 186 O GLY A 724 24.322 37.039 9.836 1.00 47.37 A O\nATOM 187 N THR A 725 23.156 38.446 8.488 1.00 38.68 A N\nATOM 188 CA THR A 725 22.603 39.310 9.542 1.00 38.78 A C\nATOM 189 C THR A 725 21.065 39.285 9.625 1.00 38.49 A C\nATOM 190 O THR A 725 20.391 39.449 8.608 1.00 33.98 A O\nATOM 191 CB THR A 725 23.053 40.762 9.320 1.00 49.97 A C\nATOM 192 OG1 THR A 725 24.483 40.810 9.375 1.00 46.95 A O\nATOM 193 CG2 THR A 725 22.472 41.700 10.383 1.00 44.75 A C\nATOM 194 N VAL A 726 20.534 39.134 10.842 1.00 32.51 A N\nATOM 195 CA VAL A 726 19.070 38.979 11.051 1.00 35.80 A C\nATOM 196 C VAL A 726 18.414 40.191 11.729 1.00 34.03 A C\nATOM 197 O VAL A 726 18.988 40.751 12.672 1.00 34.12 A O\nATOM 198 CB VAL A 726 18.745 37.679 11.833 1.00 33.62 A C\nATOM 199 CG1 VAL A 726 17.231 37.439 11.869 1.00 35.20 A C\nATOM 200 CG2 VAL A 726 19.400 36.488 11.163 1.00 37.39 A C\nATOM 201 N TYR A 727 17.215 40.566 11.254 1.00 33.84 A N\nATOM 202 CA TYR A 727 16.439 41.698 11.760 1.00 32.33 A C\nATOM 203 C TYR A 727 15.042 41.252 12.170 1.00 37.12 A C\nATOM 204 O TYR A 727 14.463 40.338 11.555 1.00 34.66 A O\nATOM 205 CB TYR A 727 16.246 42.780 10.672 1.00 34.43 A C\nATOM 206 CG TYR A 727 17.514 43.312 10.073 1.00 40.06 A C\nATOM 207 CD1 TYR A 727 18.048 44.535 10.495 1.00 44.66 A C\nATOM 208 CD2 TYR A 727 18.204 42.586 9.100 1.00 48.07 A C\nATOM 209 CE1 TYR A 727 19.233 45.017 9.958 1.00 40.67 A C\nATOM 210 CE2 TYR A 727 19.393 43.057 8.559 1.00 45.69 A C\nATOM 211 CZ TYR A 727 19.897 44.277 8.987 1.00 50.79 A C\nATOM 212 OH TYR A 727 21.076 44.738 8.449 1.00 40.87 A O\nATOM 213 N LYS A 728 14.496 41.908 13.186 1.00 31.04 A N\nATOM 214 CA LYS A 728 13.046 41.836 13.452 1.00 34.53 A C\nATOM 215 C LYS A 728 12.362 42.756 12.451 1.00 38.87 A C\nATOM 216 O LYS A 728 12.862 43.841 12.167 1.00 39.43 A O\nATOM 217 CB LYS A 728 12.735 42.293 14.875 1.00 39.98 A C\nATOM 218 CG LYS A 728 11.263 42.187 15.275 1.00 50.05 A C\nATOM 219 CD LYS A 728 10.997 42.809 16.640 1.00 41.41 A C\nATOM 220 CE LYS A 728 10.879 44.322 16.557 1.00 49.69 A C\nATOM 221 NZ LYS A 728 10.778 44.921 17.913 1.00 50.16 A N\nATOM 222 N GLY A 729 11.222 42.334 11.912 1.00 38.44 A N\nATOM 223 CA GLY A 729 10.526 43.156 10.939 1.00 40.01 A C\nATOM 224 C GLY A 729 9.034 42.913 10.861 1.00 36.82 A C\nATOM 225 O GLY A 729 8.488 42.144 11.635 1.00 33.00 A O\nATOM 226 N LEU A 730 8.388 43.608 9.930 1.00 42.24 A N\nATOM 227 CA LEU A 730 6.978 43.392 9.627 1.00 41.16 A C\nATOM 228 C LEU A 730 6.790 43.121 8.139 1.00 37.54 A C\nATOM 229 O LEU A 730 7.381 43.794 7.295 1.00 43.28 A O\nATOM 230 CB LEU A 730 6.128 44.602 10.042 1.00 55.61 A C\nATOM 231 CG LEU A 730 5.797 44.815 11.522 1.00 54.61 A C\nATOM 232 CD1 LEU A 730 5.056 46.134 11.690 1.00 55.22 A C\nATOM 233 CD2 LEU A 730 4.985 43.665 12.105 1.00 62.65 A C\nATOM 234 N TRP A 731 5.976 42.119 7.831 1.00 42.21 A N\nATOM 235 CA TRP A 731 5.575 41.865 6.463 1.00 38.29 A C\nATOM 236 C TRP A 731 4.115 42.307 6.264 1.00 44.54 A C\nATOM 237 O TRP A 731 3.205 41.854 6.974 1.00 40.95 A O\nATOM 238 CB TRP A 731 5.791 40.400 6.085 1.00 44.76 A C\nATOM 239 CG TRP A 731 5.239 40.023 4.741 1.00 49.04 A C\nATOM 240 CD1 TRP A 731 5.266 40.773 3.595 1.00 56.68 A C\nATOM 241 CD2 TRP A 731 4.591 38.792 4.399 1.00 57.71 A C\nATOM 242 NE1 TRP A 731 4.663 40.089 2.569 1.00 61.09 A N\nATOM 243 CE2 TRP A 731 4.244 38.869 3.032 1.00 55.11 A C\nATOM 244 CE3 TRP A 731 4.266 37.631 5.118 1.00 50.16 A C\nATOM 245 CZ2 TRP A 731 3.587 37.833 2.369 1.00 65.58 A C\nATOM 246 CZ3 TRP A 731 3.615 36.603 4.461 1.00 59.33 A C\nATOM 247 CH2 TRP A 731 3.276 36.713 3.098 1.00 60.58 A C\nATOM 248 N ILE A 732 3.936 43.209 5.304 1.00 46.64 A N\nATOM 249 CA ILE A 732 2.625 43.709 4.887 1.00 54.61 A C\nATOM 250 C ILE A 732 2.347 43.178 3.476 1.00 52.31 A C\nATOM 251 O ILE A 732 2.779 43.779 2.492 1.00 58.58 A O\nATOM 252 CB ILE A 732 2.602 45.255 4.904 1.00 54.63 A C\nATOM 253 CG1 ILE A 732 3.132 45.776 6.246 1.00 54.82 A C\nATOM 254 CG2 ILE A 732 1.194 45.787 4.641 1.00 66.79 A C\nATOM 255 CD1 ILE A 732 3.898 47.083 6.154 1.00 59.18 A C\nATOM 256 N PRO A 733 1.668 42.016 3.370 1.00 54.05 A N\nATOM 257 CA PRO A 733 1.327 41.500 2.042 1.00 58.55 A C\nATOM 258 C PRO A 733 0.630 42.595 1.229 1.00 65.49 A C\nATOM 259 O PRO A 733 -0.188 43.342 1.778 1.00 49.96 A O\nATOM 260 CB PRO A 733 0.373 40.346 2.348 1.00 64.25 A C\nATOM 261 CG PRO A 733 0.768 39.882 3.707 1.00 61.88 A C\nATOM 262 CD PRO A 733 1.226 41.110 4.446 1.00 62.75 A C\nATOM 263 N GLU A 734 0.979 42.695 -0.052 1.00 70.24 A N\nATOM 264 CA GLU A 734 0.686 43.884 -0.872 1.00 94.73 A C\nATOM 265 C GLU A 734 -0.777 44.355 -0.899 1.00 97.63 A C\nATOM 266 O GLU A 734 -1.074 45.485 -0.500 1.00 94.38 A O\nATOM 267 CB GLU A 734 1.246 43.724 -2.298 1.00109.10 A C\nATOM 268 CG GLU A 734 1.023 42.356 -2.932 1.00121.90 A C\nATOM 269 CD GLU A 734 2.032 42.040 -4.022 1.00137.46 A C\nATOM 270 OE1 GLU A 734 2.181 42.851 -4.963 1.00133.69 A O\nATOM 271 OE2 GLU A 734 2.677 40.973 -3.941 1.00133.05 A O\nATOM 272 N GLY A 735 -1.679 43.493 -1.356 1.00 77.00 A N\nATOM 273 CA GLY A 735 -3.081 43.876 -1.524 1.00102.31 A C\nATOM 274 C GLY A 735 -3.886 43.756 -0.246 1.00 94.49 A C\nATOM 275 O GLY A 735 -4.924 44.398 -0.090 1.00 87.16 A O\nATOM 276 N GLU A 736 -3.388 42.942 0.677 1.00 84.67 A N\nATOM 277 CA GLU A 736 -4.127 42.579 1.880 1.00 78.16 A C\nATOM 278 C GLU A 736 -4.024 43.678 2.935 1.00 83.43 A C\nATOM 279 O GLU A 736 -3.373 44.703 2.709 1.00 81.42 A O\nATOM 280 CB GLU A 736 -3.615 41.237 2.397 1.00 81.23 A C\nATOM 281 CG GLU A 736 -3.274 40.281 1.260 1.00 77.57 A C\nATOM 282 CD GLU A 736 -2.886 38.898 1.726 1.00 87.99 A C\nATOM 283 OE1 GLU A 736 -1.955 38.315 1.129 1.00 79.62 A O\nATOM 284 OE2 GLU A 736 -3.512 38.390 2.680 1.00 96.84 A O\nATOM 285 N LYS A 737 -4.679 43.481 4.076 1.00 74.52 A N\nATOM 286 CA LYS A 737 -4.699 44.519 5.107 1.00 87.38 A C\nATOM 287 C LYS A 737 -4.260 44.016 6.485 1.00 96.71 A C\nATOM 288 O LYS A 737 -4.977 44.181 7.477 1.00109.85 A O\nATOM 289 CB LYS A 737 -6.077 45.199 5.170 1.00102.72 A C\nATOM 290 CG LYS A 737 -6.406 46.051 3.949 1.00109.69 A C\nATOM 291 CD LYS A 737 -7.648 46.936 4.172 1.00118.48 A C\nATOM 292 CE LYS A 737 -7.282 48.276 4.851 1.00123.12 A C\nATOM 293 NZ LYS A 737 -8.538 49.108 5.062 1.00124.87 A N\nATOM 294 N VAL A 738 -3.074 43.406 6.534 1.00 81.63 A N\nATOM 295 CA VAL A 738 -2.501 42.891 7.786 1.00 70.23 A C\nATOM 296 C VAL A 738 -0.992 43.163 7.922 1.00 67.18 A C\nATOM 297 O VAL A 738 -0.292 43.394 6.933 1.00 49.00 A O\nATOM 298 CB VAL A 738 -2.770 41.373 7.985 1.00 75.03 A C\nATOM 299 CG1 VAL A 738 -4.250 41.103 8.236 1.00 86.92 A C\nATOM 300 CG2 VAL A 738 -2.252 40.551 6.808 1.00 64.70 A C\nATOM 301 N LYS A 739 -0.516 43.146 9.165 1.00 59.40 A N\nATOM 302 CA LYS A 739 0.904 43.256 9.475 1.00 60.90 A C\nATOM 303 C LYS A 739 1.318 41.933 10.119 1.00 50.28 A C\nATOM 304 O LYS A 739 0.703 41.504 11.090 1.00 49.12 A O\nATOM 305 CB LYS A 739 1.147 44.419 10.443 1.00 54.97 A C\nATOM 306 CG LYS A 739 0.870 45.811 9.886 1.00 67.55 A C\nATOM 307 CD LYS A 739 0.807 46.815 11.029 1.00 68.22 A C\nATOM 308 CE LYS A 739 0.849 48.258 10.555 1.00 69.70 A C\nATOM 309 NZ LYS A 739 0.897 49.182 11.726 1.00 63.68 A N\nATOM 310 N ILE A 740 2.334 41.275 9.569 1.00 53.92 A N\nATOM 311 CA ILE A 740 2.775 39.976 10.098 1.00 43.42 A C\nATOM 312 C ILE A 740 4.222 40.069 10.602 1.00 38.89 A C\nATOM 313 O ILE A 740 5.111 40.395 9.830 1.00 37.20 A O\nATOM 314 CB ILE A 740 2.637 38.847 9.043 1.00 47.72 A C\nATOM 315 CG1 ILE A 740 1.192 38.754 8.531 1.00 44.69 A C\nATOM 316 CG2 ILE A 740 3.097 37.499 9.607 1.00 42.82 A C\nATOM 317 CD1 ILE A 740 1.076 38.138 7.152 1.00 46.45 A C\nATOM 318 N PRO A 741 4.452 39.781 11.897 1.00 40.77 A N\nATOM 319 CA PRO A 741 5.827 39.786 12.440 1.00 39.30 A C\nATOM 320 C PRO A 741 6.717 38.738 11.759 1.00 38.75 A C\nATOM 321 O PRO A 741 6.362 37.551 11.684 1.00 38.50 A O\nATOM 322 CB PRO A 741 5.632 39.455 13.923 1.00 38.97 A C\nATOM 323 CG PRO A 741 4.153 39.637 14.186 1.00 41.99 A C\nATOM 324 CD PRO A 741 3.478 39.309 12.893 1.00 42.15 A C\nATOM 325 N VAL A 742 7.853 39.202 11.251 1.00 38.86 A N\nATOM 326 CA VAL A 742 8.786 38.356 10.514 1.00 38.13 A C\nATOM 327 C VAL A 742 10.231 38.581 11.005 1.00 34.95 A C\nATOM 328 O VAL A 742 10.561 39.632 11.583 1.00 34.01 A O\nATOM 329 CB VAL A 742 8.687 38.599 8.982 1.00 37.29 A C\nATOM 330 CG1 VAL A 742 7.346 38.112 8.437 1.00 40.56 A C\nATOM 331 CG2 VAL A 742 8.931 40.075 8.615 1.00 37.85 A C\nATOM 332 N ALA A 743 11.064 37.564 10.815 1.00 30.95 A N\nATOM 333 CA ALA A 743 12.504 37.735 10.909 1.00 31.06 A C\nATOM 334 C ALA A 743 12.971 37.867 9.468 1.00 29.26 A C\nATOM 335 O ALA A 743 12.443 37.205 8.545 1.00 29.67 A O\nATOM 336 CB ALA A 743 13.145 36.521 11.607 1.00 27.75 A C\nATOM 337 N ILE A 744 13.960 38.729 9.257 1.00 29.82 A N\nATOM 338 CA ILE A 744 14.482 38.989 7.941 1.00 26.91 A C\nATOM 339 C ILE A 744 15.996 38.776 7.997 1.00 32.94 A C\nATOM 340 O ILE A 744 16.659 39.439 8.787 1.00 31.67 A O\nATOM 341 CB ILE A 744 14.187 40.451 7.521 1.00 32.45 A C\nATOM 342 CG1 ILE A 744 12.668 40.686 7.463 1.00 33.88 A C\nATOM 343 CG2 ILE A 744 14.811 40.752 6.170 1.00 33.17 A C\nATOM 344 CD1 ILE A 744 12.266 42.143 7.435 1.00 43.30 A C\nATOM 345 N LYS A 745 16.513 37.833 7.209 1.00 31.04 A N\nATOM 346 CA LYS A 745 17.973 37.573 7.139 1.00 31.99 A C\nATOM 347 C LYS A 745 18.524 38.109 5.822 1.00 39.09 A C\nATOM 348 O LYS A 745 18.134 37.638 4.751 1.00 38.70 A O\nATOM 349 CB LYS A 745 18.294 36.063 7.319 1.00 28.72 A C\nATOM 350 CG LYS A 745 19.802 35.726 7.423 1.00 31.87 A C\nATOM 351 CD LYS A 745 20.007 34.389 8.138 1.00 31.76 A C\nATOM 352 CE LYS A 745 21.491 34.095 8.338 1.00 35.24 A C\nATOM 353 NZ LYS A 745 21.698 32.907 9.205 1.00 39.22 A N\nATOM 354 N GLU A 746 19.416 39.106 5.904 1.00 34.93 A N\nATOM 355 CA GLU A 746 20.142 39.638 4.746 1.00 33.61 A C\nATOM 356 C GLU A 746 21.526 38.979 4.663 1.00 41.73 A C\nATOM 357 O GLU A 746 22.298 39.054 5.609 1.00 40.63 A O\nATOM 358 CB GLU A 746 20.301 41.152 4.901 1.00 38.35 A C\nATOM 359 CG GLU A 746 20.665 41.861 3.615 1.00 43.31 A C\nATOM 360 CD GLU A 746 20.339 43.344 3.649 1.00 56.57 A C\nATOM 361 OE1 GLU A 746 20.746 44.024 4.616 1.00 60.73 A O\nATOM 362 OE2 GLU A 746 19.673 43.828 2.704 1.00 56.47 A O\nATOM 363 N LEU A 747 21.833 38.337 3.537 1.00 44.06 A N\nATOM 364 CA LEU A 747 23.024 37.488 3.450 1.00 49.19 A C\nATOM 365 C LEU A 747 24.281 38.279 3.131 1.00 60.11 A C\nATOM 366 O LEU A 747 24.202 39.411 2.649 1.00 50.14 A O\nATOM 367 CB LEU A 747 22.837 36.348 2.436 1.00 42.55 A C\nATOM 368 CG LEU A 747 21.603 35.433 2.522 1.00 47.94 A C\nATOM 369 CD1 LEU A 747 21.721 34.261 1.547 1.00 56.88 A C\nATOM 370 CD2 LEU A 747 21.335 34.931 3.938 1.00 48.40 A C\nATOM 371 N ARG A 748 25.429 37.670 3.439 1.00 66.18 A N\nATOM 372 CA ARG A 748 26.741 38.168 3.020 1.00 88.68 A C\nATOM 373 C ARG A 748 26.890 37.940 1.518 1.00 83.15 A C\nATOM 374 O ARG A 748 26.540 36.871 1.007 1.00 58.47 A O\nATOM 375 CB ARG A 748 27.867 37.432 3.760 1.00 95.20 A C\nATOM 376 CG ARG A 748 27.684 37.308 5.267 1.00111.81 A C\nATOM 377 CD ARG A 748 28.485 38.345 6.036 1.00116.77 A C\nATOM 378 NE ARG A 748 28.166 38.317 7.463 1.00121.49 A N\nATOM 379 CZ ARG A 748 28.992 38.701 8.434 1.00124.58 A C\nATOM 380 NH1 ARG A 748 28.598 38.637 9.698 1.00118.79 A N\nATOM 381 NH2 ARG A 748 30.213 39.139 8.150 1.00121.87 A N\nATOM 382 N GLU A 749 27.406 38.949 0.821 1.00 98.46 A N\nATOM 383 CA GLU A 749 27.601 38.891 -0.630 1.00109.01 A C\nATOM 384 C GLU A 749 28.856 38.102 -1.017 1.00119.10 A C\nATOM 385 O GLU A 749 29.662 37.740 -0.156 1.00127.74 A O\nATOM 386 CB GLU A 749 27.675 40.307 -1.207 1.00107.94 A C\nATOM 387 CG GLU A 749 26.412 41.134 -1.012 1.00122.50 A C\nATOM 388 CD GLU A 749 26.530 42.544 -1.567 1.00131.75 A C\nATOM 389 OE1 GLU A 749 27.541 42.855 -2.234 1.00129.10 A O\nATOM 390 OE2 GLU A 749 25.601 43.347 -1.337 1.00141.68 A O\nATOM 391 N ALA A 750 29.008 37.836 -2.315 1.00115.00 A N\nATOM 392 CA ALA A 750 30.204 37.181 -2.856 1.00118.99 A C\nATOM 393 C ALA A 750 30.743 37.944 -4.068 1.00126.64 A C\nATOM 394 O ALA A 750 30.009 38.716 -4.692 1.00142.14 A O\nATOM 395 CB ALA A 750 29.900 35.736 -3.224 1.00111.74 A C\nATOM 396 N THR A 751 32.022 37.735 -4.391 1.00123.82 A N\nATOM 397 CA THR A 751 32.648 38.356 -5.569 1.00124.40 A C\nATOM 398 C THR A 751 32.044 37.774 -6.848 1.00124.78 A C\nATOM 399 O THR A 751 31.735 38.509 -7.791 1.00116.74 A O\nATOM 400 CB THR A 751 34.185 38.166 -5.588 1.00118.19 A C\nATOM 401 OG1 THR A 751 34.721 38.383 -4.277 1.00103.31 A O\nATOM 402 CG2 THR A 751 34.848 39.136 -6.573 1.00100.42 A C\nATOM 403 N SER A 752 31.885 36.451 -6.862 1.00121.20 A N\nATOM 404 CA SER A 752 31.194 35.752 -7.939 1.00135.31 A C\nATOM 405 C SER A 752 29.938 35.072 -7.380 1.00129.14 A C\nATOM 406 O SER A 752 29.976 33.894 -7.008 1.00125.03 A O\nATOM 407 CB SER A 752 32.123 34.735 -8.613 1.00131.46 A C\nATOM 408 OG SER A 752 31.457 34.039 -9.655 1.00119.19 A O\nATOM 409 N PRO A 753 28.819 35.821 -7.308 1.00118.58 A N\nATOM 410 CA PRO A 753 27.589 35.277 -6.740 1.00106.64 A C\nATOM 411 C PRO A 753 26.877 34.351 -7.720 1.00 97.42 A C\nATOM 412 O PRO A 753 27.150 34.390 -8.922 1.00 88.50 A O\nATOM 413 CB PRO A 753 26.730 36.526 -6.474 1.00107.50 A C\nATOM 414 CG PRO A 753 27.528 37.708 -6.938 1.00107.49 A C\nATOM 415 CD PRO A 753 28.618 37.187 -7.821 1.00102.77 A C\nATOM 416 N LYS A 754 25.976 33.523 -7.199 1.00 91.73 A N\nATOM 417 CA LYS A 754 25.143 32.653 -8.028 1.00 78.40 A C\nATOM 418 C LYS A 754 24.059 33.471 -8.747 1.00 72.59 A C\nATOM 419 O LYS A 754 23.679 34.553 -8.283 1.00 71.52 A O\nATOM 420 CB LYS A 754 24.516 31.548 -7.171 1.00 66.50 A C\nATOM 421 CG LYS A 754 25.522 30.572 -6.582 1.00 66.51 A C\nATOM 422 CD LYS A 754 24.844 29.511 -5.730 1.00 67.17 A C\nATOM 423 CE LYS A 754 25.850 28.490 -5.217 1.00 71.27 A C\nATOM 424 NZ LYS A 754 25.199 27.456 -4.367 1.00 72.05 A N\nATOM 425 N ALA A 755 23.582 32.965 -9.885 1.00 67.58 A N\nATOM 426 CA ALA A 755 22.470 33.596 -10.607 1.00 64.10 A C\nATOM 427 C ALA A 755 21.197 33.558 -9.757 1.00 59.06 A C\nATOM 428 O ALA A 755 21.026 32.662 -8.924 1.00 48.83 A O\nATOM 429 CB ALA A 755 22.241 32.908 -11.946 1.00 62.79 A C\nATOM 430 N ASN A 756 20.311 34.532 -9.961 1.00 55.32 A N\nATOM 431 CA ASN A 756 19.058 34.580 -9.210 1.00 57.65 A C\nATOM 432 C ASN A 756 18.246 33.282 -9.306 1.00 49.83 A C\nATOM 433 O ASN A 756 17.713 32.811 -8.305 1.00 52.47 A O\nATOM 434 CB ASN A 756 18.214 35.782 -9.636 1.00 61.10 A C\nATOM 435 CG ASN A 756 18.737 37.095 -9.070 1.00 65.60 A C\nATOM 436 OD1 ASN A 756 18.241 38.166 -9.417 1.00 66.39 A O\nATOM 437 ND2 ASN A 756 19.733 37.018 -8.188 1.00 62.03 A N\nATOM 438 N LYS A 757 18.188 32.693 -10.499 1.00 48.32 A N\nATOM 439 CA LYS A 757 17.363 31.496 -10.707 1.00 53.97 A C\nATOM 440 C LYS A 757 17.885 30.303 -9.916 1.00 52.23 A C\nATOM 441 O LYS A 757 17.101 29.474 -9.457 1.00 38.94 A O\nATOM 442 CB LYS A 757 17.178 31.163 -12.198 1.00 57.10 A C\nATOM 443 CG LYS A 757 18.445 30.784 -12.949 1.00 62.89 A C\nATOM 444 CD LYS A 757 18.134 30.400 -14.385 1.00 67.24 A C\nATOM 445 CE LYS A 757 19.369 29.866 -15.088 1.00 78.98 A C\nATOM 446 NZ LYS A 757 19.072 29.478 -16.495 1.00 98.58 A N\nATOM 447 N GLU A 758 19.205 30.237 -9.731 1.00 41.71 A N\nATOM 448 CA GLU A 758 19.816 29.184 -8.921 1.00 45.36 A C\nATOM 449 C GLU A 758 19.512 29.391 -7.426 1.00 45.14 A C\nATOM 450 O GLU A 758 19.180 28.437 -6.706 1.00 43.16 A O\nATOM 451 CB GLU A 758 21.327 29.142 -9.166 1.00 56.18 A C\nATOM 452 CG GLU A 758 22.010 27.873 -8.669 1.00 74.96 A C\nATOM 453 CD GLU A 758 23.509 27.857 -8.933 1.00 89.13 A C\nATOM 454 OE1 GLU A 758 24.235 27.159 -8.193 1.00109.33 A O\nATOM 455 OE2 GLU A 758 23.968 28.536 -9.878 1.00 81.56 A O\nATOM 456 N ILE A 759 19.643 30.638 -6.971 1.00 38.74 A N\nATOM 457 CA ILE A 759 19.234 31.052 -5.622 1.00 40.45 A C\nATOM 458 C ILE A 759 17.742 30.767 -5.383 1.00 37.42 A C\nATOM 459 O ILE A 759 17.347 30.206 -4.353 1.00 36.66 A O\nATOM 460 CB ILE A 759 19.533 32.554 -5.393 1.00 43.35 A C\nATOM 461 CG1 ILE A 759 21.053 32.762 -5.243 1.00 47.56 A C\nATOM 462 CG2 ILE A 759 18.767 33.078 -4.186 1.00 43.77 A C\nATOM 463 CD1 ILE A 759 21.516 34.207 -5.124 1.00 44.09 A C\nATOM 464 N LEU A 760 16.923 31.151 -6.340 1.00 32.59 A N\nATOM 465 CA LEU A 760 15.477 30.871 -6.229 1.00 44.54 A C\nATOM 466 C LEU A 760 15.206 29.372 -6.123 1.00 43.78 A C\nATOM 467 O LEU A 760 14.351 28.949 -5.341 1.00 38.07 A O\nATOM 468 CB LEU A 760 14.701 31.506 -7.382 1.00 37.58 A C\nATOM 469 CG LEU A 760 14.663 33.030 -7.272 1.00 40.85 A C\nATOM 470 CD1 LEU A 760 14.118 33.694 -8.532 1.00 47.14 A C\nATOM 471 CD2 LEU A 760 13.882 33.459 -6.040 1.00 39.46 A C\nATOM 472 N ASP A 761 15.966 28.576 -6.874 1.00 37.26 A N\nATOM 473 CA ASP A 761 15.788 27.126 -6.889 1.00 39.19 A C\nATOM 474 C ASP A 761 16.110 26.500 -5.525 1.00 46.00 A C\nATOM 475 O ASP A 761 15.381 25.626 -5.051 1.00 41.12 A O\nATOM 476 CB ASP A 761 16.625 26.501 -8.020 1.00 44.22 A C\nATOM 477 CG ASP A 761 16.461 24.979 -8.126 1.00 58.33 A C\nATOM 478 OD1 ASP A 761 17.492 24.284 -8.152 1.00 49.31 A O\nATOM 479 OD2 ASP A 761 15.316 24.470 -8.200 1.00 47.84 A O\nATOM 480 N GLU A 762 17.191 26.954 -4.888 1.00 36.07 A N\nATOM 481 CA GLU A 762 17.560 26.438 -3.576 1.00 34.81 A C\nATOM 482 C GLU A 762 16.600 26.948 -2.508 1.00 32.41 A C\nATOM 483 O GLU A 762 16.215 26.209 -1.596 1.00 36.70 A O\nATOM 484 CB GLU A 762 19.029 26.775 -3.256 1.00 39.98 A C\nATOM 485 CG GLU A 762 19.960 26.152 -4.283 1.00 46.30 A C\nATOM 486 CD GLU A 762 21.394 25.995 -3.807 1.00 67.31 A C\nATOM 487 OE1 GLU A 762 22.255 25.711 -4.666 1.00 61.02 A O\nATOM 488 OE2 GLU A 762 21.667 26.144 -2.592 1.00 60.07 A O\nATOM 489 N ALA A 763 16.161 28.196 -2.654 1.00 31.03 A N\nATOM 490 CA ALA A 763 15.258 28.767 -1.667 1.00 30.15 A C\nATOM 491 C ALA A 763 13.909 28.042 -1.718 1.00 31.96 A C\nATOM 492 O ALA A 763 13.237 27.930 -0.700 1.00 32.14 A O\nATOM 493 CB ALA A 763 15.065 30.253 -1.887 1.00 31.59 A C\nATOM 494 N TYR A 764 13.541 27.551 -2.895 1.00 28.99 A N\nATOM 495 CA TYR A 764 12.229 26.863 -3.044 1.00 29.83 A C\nATOM 496 C TYR A 764 12.189 25.668 -2.112 1.00 28.72 A C\nATOM 497 O TYR A 764 11.184 25.426 -1.469 1.00 29.34 A O\nATOM 498 CB TYR A 764 11.968 26.408 -4.481 1.00 30.91 A C\nATOM 499 CG TYR A 764 10.617 25.705 -4.651 1.00 30.27 A C\nATOM 500 CD1 TYR A 764 10.525 24.314 -4.685 1.00 29.95 A C\nATOM 501 CD2 TYR A 764 9.448 26.447 -4.774 1.00 31.11 A C\nATOM 502 CE1 TYR A 764 9.299 23.683 -4.830 1.00 36.51 A C\nATOM 503 CE2 TYR A 764 8.212 25.822 -4.915 1.00 34.02 A C\nATOM 504 CZ TYR A 764 8.153 24.440 -4.943 1.00 31.33 A C\nATOM 505 OH TYR A 764 6.926 23.819 -5.090 1.00 36.39 A O\nATOM 506 N VAL A 765 13.308 24.953 -1.983 1.00 30.36 A N\nATOM 507 CA VAL A 765 13.338 23.790 -1.106 1.00 30.00 A C\nATOM 508 C VAL A 765 13.144 24.241 0.339 1.00 28.48 A C\nATOM 509 O VAL A 765 12.510 23.540 1.135 1.00 28.46 A O\nATOM 510 CB VAL A 765 14.661 22.982 -1.249 1.00 34.35 A C\nATOM 511 CG1 VAL A 765 14.648 21.743 -0.361 1.00 37.76 A C\nATOM 512 CG2 VAL A 765 14.898 22.599 -2.708 1.00 39.05 A C\nATOM 513 N MET A 766 13.685 25.407 0.687 1.00 26.60 A N\nATOM 514 CA MET A 766 13.558 25.938 2.055 1.00 27.20 A C\nATOM 515 C MET A 766 12.106 26.365 2.345 1.00 32.09 A C\nATOM 516 O MET A 766 11.637 26.292 3.487 1.00 34.54 A O\nATOM 517 CB MET A 766 14.561 27.094 2.308 1.00 31.52 A C\nATOM 518 CG MET A 766 16.040 26.737 2.138 1.00 36.39 A C\nATOM 519 SD MET A 766 16.954 28.289 1.995 1.00 35.31 A S\nATOM 520 CE MET A 766 18.693 27.772 1.971 1.00 29.41 A C\nATOM 521 N ALA A 767 11.388 26.768 1.304 1.00 25.55 A N\nATOM 522 CA ALA A 767 9.955 27.147 1.461 1.00 28.35 A C\nATOM 523 C ALA A 767 8.996 25.957 1.419 1.00 30.50 A C\nATOM 524 O ALA A 767 7.810 26.051 1.829 1.00 35.24 A O\nATOM 525 CB ALA A 767 9.587 28.141 0.385 1.00 27.82 A C\nATOM 526 N SER A 768 9.486 24.841 0.921 1.00 33.39 A N\nATOM 527 CA SER A 768 8.674 23.650 0.666 1.00 36.62 A C\nATOM 528 C SER A 768 8.537 22.757 1.916 1.00 35.31 A C\nATOM 529 O SER A 768 7.706 21.837 1.944 1.00 41.31 A O\nATOM 530 CB SER A 768 9.315 22.842 -0.478 1.00 30.34 A C\nATOM 531 OG SER A 768 10.337 22.007 0.056 1.00 43.37 A O\nATOM 532 N VAL A 769 9.337 23.017 2.949 1.00 29.89 A N\nATOM 533 CA VAL A 769 9.346 22.117 4.112 1.00 31.80 A C\nATOM 534 C VAL A 769 8.076 22.226 4.967 1.00 35.73 A C\nATOM 535 O VAL A 769 7.587 23.322 5.240 1.00 40.87 A O\nATOM 536 CB VAL A 769 10.608 22.267 4.970 1.00 36.09 A C\nATOM 537 CG1 VAL A 769 11.840 21.931 4.144 1.00 34.12 A C\nATOM 538 CG2 VAL A 769 10.721 23.677 5.517 1.00 42.89 A C\nATOM 539 N ASP A 770 7.546 21.080 5.369 1.00 31.99 A N\nATOM 540 CA ASP A 770 6.279 21.036 6.088 1.00 39.53 A C\nATOM 541 C ASP A 770 6.391 20.001 7.188 1.00 32.29 A C\nATOM 542 O ASP A 770 6.093 18.820 6.974 1.00 33.73 A O\nATOM 543 CB ASP A 770 5.126 20.706 5.120 1.00 36.58 A C\nATOM 544 CG ASP A 770 3.755 20.745 5.793 1.00 41.55 A C\nATOM 545 OD1 ASP A 770 3.591 21.464 6.803 1.00 41.43 A O\nATOM 546 OD2 ASP A 770 2.839 20.055 5.297 1.00 61.49 A O\nATOM 547 N ASN A 771 6.841 20.458 8.358 1.00 27.92 A N\nATOM 548 CA ASN A 771 7.056 19.600 9.515 1.00 28.79 A C\nATOM 549 C ASN A 771 7.004 20.473 10.767 1.00 28.51 A C\nATOM 550 O ASN A 771 7.492 21.615 10.753 1.00 32.33 A O\nATOM 551 CB ASN A 771 8.427 18.877 9.404 1.00 31.63 A C\nATOM 552 CG ASN A 771 8.711 17.968 10.593 1.00 32.66 A C\nATOM 553 OD1 ASN A 771 9.198 18.412 11.634 1.00 32.35 A O\nATOM 554 ND2 ASN A 771 8.412 16.685 10.439 1.00 31.99 A N\nATOM 555 N PRO A 772 6.419 19.947 11.868 1.00 36.96 A N\nATOM 556 CA PRO A 772 6.237 20.746 13.090 1.00 37.28 A C\nATOM 557 C PRO A 772 7.540 21.226 13.729 1.00 33.19 A C\nATOM 558 O PRO A 772 7.524 22.216 14.470 1.00 30.61 A O\nATOM 559 CB PRO A 772 5.540 19.773 14.045 1.00 44.95 A C\nATOM 560 CG PRO A 772 4.862 18.792 13.164 1.00 49.09 A C\nATOM 561 CD PRO A 772 5.749 18.635 11.972 1.00 36.80 A C\nATOM 562 N HIS A 773 8.647 20.524 13.463 1.00 32.01 A N\nATOM 563 CA HIS A 773 9.923 20.890 14.095 1.00 32.30 A C\nATOM 564 C HIS A 773 10.938 21.522 13.140 1.00 29.91 A C\nATOM 565 O HIS A 773 12.141 21.581 13.433 1.00 31.48 A O\nATOM 566 CB HIS A 773 10.501 19.683 14.866 1.00 30.06 A C\nATOM 567 CG HIS A 773 9.481 19.002 15.740 1.00 38.50 A C\nATOM 568 ND1 HIS A 773 8.923 19.607 16.850 1.00 35.97 A N\nATOM 569 CD2 HIS A 773 8.862 17.803 15.617 1.00 43.44 A C\nATOM 570 CE1 HIS A 773 8.045 18.787 17.401 1.00 35.79 A C\nATOM 571 NE2 HIS A 773 7.979 17.690 16.666 1.00 33.01 A N\nATOM 572 N VAL A 774 10.444 22.029 12.011 1.00 32.42 A N\nATOM 573 CA VAL A 774 11.292 22.713 11.029 1.00 31.78 A C\nATOM 574 C VAL A 774 10.590 24.023 10.638 1.00 31.70 A C\nATOM 575 O VAL A 774 9.410 24.021 10.272 1.00 33.83 A O\nATOM 576 CB VAL A 774 11.562 21.858 9.757 1.00 37.83 A C\nATOM 577 CG1 VAL A 774 12.584 22.547 8.868 1.00 28.77 A C\nATOM 578 CG2 VAL A 774 12.050 20.442 10.095 1.00 34.53 A C\nATOM 579 N CYS A 775 11.299 25.132 10.784 1.00 31.06 A N\nATOM 580 CA CYS A 775 10.867 26.411 10.246 1.00 32.97 A C\nATOM 581 C CYS A 775 10.813 26.400 8.725 1.00 31.14 A C\nATOM 582 O CYS A 775 11.570 25.660 8.057 1.00 35.80 A O\nATOM 583 CB CYS A 775 11.836 27.504 10.707 1.00 29.32 A C\nATOM 584 SG CYS A 775 11.781 27.780 12.482 1.00 36.31 A S\nATOM 585 N ARG A 776 9.959 27.240 8.152 1.00 27.88 A N\nATOM 586 CA ARG A 776 9.926 27.322 6.704 1.00 26.20 A C\nATOM 587 C ARG A 776 10.059 28.744 6.212 1.00 25.09 A C\nATOM 588 O ARG A 776 9.700 29.688 6.895 1.00 28.55 A O\nATOM 589 CB ARG A 776 8.682 26.632 6.126 1.00 36.86 A C\nATOM 590 CG ARG A 776 7.473 27.513 6.073 1.00 39.62 A C\nATOM 591 CD ARG A 776 6.435 26.936 5.109 1.00 54.28 A C\nATOM 592 NE ARG A 776 5.496 27.982 4.720 1.00 51.59 A N\nATOM 593 CZ ARG A 776 5.521 28.662 3.573 1.00 56.49 A C\nATOM 594 NH1 ARG A 776 6.423 28.405 2.636 1.00 45.85 A N\nATOM 595 NH2 ARG A 776 4.607 29.596 3.351 1.00 62.64 A N\nATOM 596 N LEU A 777 10.660 28.874 5.042 1.00 32.82 A N\nATOM 597 CA LEU A 777 10.839 30.155 4.397 1.00 39.54 A C\nATOM 598 C LEU A 777 9.481 30.608 3.865 1.00 41.12 A C\nATOM 599 O LEU A 777 8.752 29.829 3.249 1.00 36.46 A O\nATOM 600 CB LEU A 777 11.873 30.008 3.284 1.00 37.75 A C\nATOM 601 CG LEU A 777 12.599 31.245 2.783 1.00 41.91 A C\nATOM 602 CD1 LEU A 777 13.269 31.938 3.962 1.00 35.23 A C\nATOM 603 CD2 LEU A 777 13.619 30.839 1.737 1.00 39.23 A C\nATOM 604 N LEU A 778 9.106 31.841 4.179 1.00 35.56 A N\nATOM 605 CA LEU A 778 7.850 32.407 3.671 1.00 37.08 A C\nATOM 606 C LEU A 778 8.067 33.176 2.372 1.00 39.75 A C\nATOM 607 O LEU A 778 7.184 33.229 1.510 1.00 45.05 A O\nATOM 608 CB LEU A 778 7.251 33.354 4.706 1.00 33.02 A C\nATOM 609 CG LEU A 778 6.736 32.791 6.028 1.00 43.06 A C\nATOM 610 CD1 LEU A 778 6.379 33.930 6.967 1.00 41.81 A C\nATOM 611 CD2 LEU A 778 5.533 31.872 5.829 1.00 55.69 A C\nATOM 612 N GLY A 779 9.235 33.799 2.246 1.00 38.68 A N\nATOM 613 CA GLY A 779 9.483 34.706 1.147 1.00 38.09 A C\nATOM 614 C GLY A 779 10.944 35.031 0.929 1.00 34.62 A C\nATOM 615 O GLY A 779 11.816 34.682 1.729 1.00 34.55 A O\nATOM 616 N ILE A 780 11.206 35.696 -0.181 1.00 36.47 A N\nATOM 617 CA ILE A 780 12.549 36.078 -0.537 1.00 32.86 A C\nATOM 618 C ILE A 780 12.467 37.364 -1.342 1.00 37.56 A C\nATOM 619 O ILE A 780 11.461 37.641 -2.019 1.00 35.89 A O\nATOM 620 CB ILE A 780 13.271 34.933 -1.305 1.00 36.74 A C\nATOM 621 CG1 ILE A 780 14.757 35.226 -1.508 1.00 37.01 A C\nATOM 622 CG2 ILE A 780 12.566 34.586 -2.612 1.00 39.84 A C\nATOM 623 CD1 ILE A 780 15.542 34.015 -1.981 1.00 41.12 A C\nATOM 624 N CYS A 781 13.504 38.179 -1.218 1.00 34.22 A N\nATOM 625 CA CYS A 781 13.584 39.409 -1.968 1.00 39.58 A C\nATOM 626 C CYS A 781 15.008 39.513 -2.476 1.00 42.52 A C\nATOM 627 O CYS A 781 15.968 39.597 -1.696 1.00 42.31 A O\nATOM 628 CB CYS A 781 13.209 40.593 -1.091 1.00 42.05 A C\nATOM 629 SG CYS A 781 13.340 42.208 -1.900 1.00 52.46 A S\nATOM 630 N LEU A 782 15.137 39.460 -3.794 1.00 40.33 A N\nATOM 631 CA LEU A 782 16.427 39.615 -4.427 1.00 52.46 A C\nATOM 632 C LEU A 782 16.577 41.062 -4.912 1.00 57.91 A C\nATOM 633 O LEU A 782 15.686 41.607 -5.575 1.00 53.42 A O\nATOM 634 CB LEU A 782 16.593 38.602 -5.561 1.00 46.81 A C\nATOM 635 CG LEU A 782 16.440 37.118 -5.193 1.00 50.02 A C\nATOM 636 CD1 LEU A 782 16.409 36.255 -6.440 1.00 58.30 A C\nATOM 637 CD2 LEU A 782 17.535 36.643 -4.245 1.00 47.01 A C\nATOM 638 N THR A 783 17.681 41.688 -4.513 1.00 57.02 A N\nATOM 639 CA THR A 783 18.058 43.033 -4.953 1.00 57.87 A C\nATOM 640 C THR A 783 19.559 42.976 -5.243 1.00 56.07 A C\nATOM 641 O THR A 783 20.020 42.064 -5.932 1.00 68.18 A O\nATOM 642 CB THR A 783 17.787 44.109 -3.877 1.00 57.17 A C\nATOM 643 OG1 THR A 783 18.534 43.803 -2.690 1.00 63.32 A O\nATOM 644 CG2 THR A 783 16.297 44.223 -3.544 1.00 60.21 A C\nATOM 645 N SER A 784 20.317 43.931 -4.705 1.00 61.57 A N\nATOM 646 CA SER A 784 21.778 43.830 -4.658 1.00 62.64 A C\nATOM 647 C SER A 784 22.205 42.824 -3.584 1.00 66.71 A C\nATOM 648 O SER A 784 23.330 42.310 -3.611 1.00 73.57 A O\nATOM 649 CB SER A 784 22.413 45.198 -4.391 1.00 65.94 A C\nATOM 650 OG SER A 784 21.881 45.793 -3.219 1.00 77.36 A O\nATOM 651 N THR A 785 21.296 42.553 -2.644 1.00 56.80 A N\nATOM 652 CA THR A 785 21.494 41.540 -1.602 1.00 50.80 A C\nATOM 653 C THR A 785 20.393 40.478 -1.669 1.00 48.30 A C\nATOM 654 O THR A 785 19.331 40.704 -2.264 1.00 47.91 A O\nATOM 655 CB THR A 785 21.428 42.150 -0.184 1.00 51.80 A C\nATOM 656 OG1 THR A 785 20.089 42.598 0.080 1.00 49.48 A O\nATOM 657 CG2 THR A 785 22.410 43.311 -0.027 1.00 59.94 A C\nATOM 658 N VAL A 786 20.645 39.332 -1.039 1.00 46.00 A N\nATOM 659 CA VAL A 786 19.597 38.329 -0.826 1.00 38.67 A C\nATOM 660 C VAL A 786 18.979 38.517 0.553 1.00 36.32 A C\nATOM 661 O VAL A 786 19.693 38.530 1.546 1.00 39.63 A O\nATOM 662 CB VAL A 786 20.142 36.898 -0.953 1.00 38.01 A C\nATOM 663 CG1 VAL A 786 19.031 35.871 -0.729 1.00 48.90 A C\nATOM 664 CG2 VAL A 786 20.782 36.700 -2.320 1.00 48.03 A C\nATOM 665 N GLN A 787 17.653 38.626 0.610 1.00 36.69 A N\nATOM 666 CA GLN A 787 16.944 38.695 1.883 1.00 35.65 A C\nATOM 667 C GLN A 787 15.909 37.581 2.032 1.00 39.78 A C\nATOM 668 O GLN A 787 15.052 37.404 1.156 1.00 35.85 A O\nATOM 669 CB GLN A 787 16.259 40.049 2.058 1.00 38.83 A C\nATOM 670 CG GLN A 787 17.235 41.187 2.339 1.00 38.72 A C\nATOM 671 CD GLN A 787 16.536 42.518 2.516 1.00 42.16 A C\nATOM 672 OE1 GLN A 787 16.253 42.927 3.638 1.00 41.78 A O\nATOM 673 NE2 GLN A 787 16.248 43.197 1.412 1.00 43.91 A N\nATOM 674 N LEU A 788 15.995 36.856 3.148 1.00 33.94 A N\nATOM 675 CA LEU A 788 15.086 35.737 3.441 1.00 35.29 A C\nATOM 676 C LEU A 788 14.084 36.113 4.506 1.00 30.71 A C\nATOM 677 O LEU A 788 14.427 36.716 5.524 1.00 32.86 A O\nATOM 678 CB LEU A 788 15.887 34.523 3.909 1.00 32.95 A C\nATOM 679 CG LEU A 788 17.028 34.042 3.026 1.00 35.16 A C\nATOM 680 CD1 LEU A 788 17.745 32.897 3.724 1.00 34.86 A C\nATOM 681 CD2 LEU A 788 16.502 33.617 1.664 1.00 37.74 A C\nATOM 682 N ILE A 789 12.820 35.776 4.290 1.00 30.64 A N\nATOM 683 CA ILE A 789 11.799 36.205 5.231 1.00 28.88 A C\nATOM 684 C ILE A 789 11.097 34.984 5.799 1.00 25.85 A C\nATOM 685 O ILE A 789 10.735 34.081 5.056 1.00 33.02 A O\nATOM 686 CB ILE A 789 10.799 37.178 4.563 1.00 34.04 A C\nATOM 687 CG1 ILE A 789 11.507 38.480 4.147 1.00 37.69 A C\nATOM 688 CG2 ILE A 789 9.617 37.488 5.479 1.00 35.36 A C\nATOM 689 CD1 ILE A 789 12.058 38.438 2.739 1.00 38.70 A C\nATOM 690 N THR A 790 10.936 34.964 7.116 1.00 25.06 A N\nATOM 691 CA THR A 790 10.342 33.827 7.816 1.00 27.17 A C\nATOM 692 C THR A 790 9.494 34.315 8.999 1.00 29.00 A C\nATOM 693 O THR A 790 9.635 35.461 9.477 1.00 29.51 A O\nATOM 694 CB THR A 790 11.412 32.818 8.305 1.00 30.02 A C\nATOM 695 OG1 THR A 790 10.789 31.611 8.765 1.00 34.01 A O\nATOM 696 CG2 THR A 790 12.237 33.433 9.444 1.00 31.21 A C\nATOM 697 N GLN A 791 8.618 33.441 9.488 1.00 30.66 A N\nATOM 698 CA GLN A 791 7.785 33.807 10.630 1.00 36.46 A C\nATOM 699 C GLN A 791 8.674 34.148 11.824 1.00 34.02 A C\nATOM 700 O GLN A 791 9.592 33.396 12.152 1.00 33.64 A O\nATOM 701 CB GLN A 791 6.819 32.678 10.987 1.00 35.09 A C\nATOM 702 CG GLN A 791 5.969 32.941 12.226 1.00 43.19 A C\nATOM 703 CD GLN A 791 5.029 31.789 12.571 1.00 55.79 A C\nATOM 704 OE1 GLN A 791 5.093 30.712 11.975 1.00 52.44 A O\nATOM 705 NE2 GLN A 791 4.162 32.011 13.552 1.00 61.70 A N\nATOM 706 N LEU A 792 8.411 35.287 12.464 1.00 31.17 A N\nATOM 707 CA LEU A 792 9.174 35.661 13.656 1.00 33.99 A C\nATOM 708 C LEU A 792 8.850 34.728 14.811 1.00 43.25 A C\nATOM 709 O LEU A 792 7.684 34.452 15.080 1.00 34.41 A O\nATOM 710 CB LEU A 792 8.922 37.111 14.075 1.00 29.38 A C\nATOM 711 CG LEU A 792 9.671 37.595 15.317 1.00 33.72 A C\nATOM 712 CD1 LEU A 792 11.186 37.568 15.018 1.00 31.79 A C\nATOM 713 CD2 LEU A 792 9.205 38.962 15.810 1.00 33.47 A C\nATOM 714 N MET A 793 9.888 34.228 15.477 1.00 34.59 A N\nATOM 715 CA MET A 793 9.710 33.390 16.667 1.00 38.57 A C\nATOM 716 C MET A 793 10.133 34.232 17.866 1.00 35.33 A C\nATOM 717 O MET A 793 11.318 34.339 18.163 1.00 31.81 A O\nATOM 718 CB MET A 793 10.542 32.098 16.609 1.00 31.33 A C\nATOM 719 CG MET A 793 10.279 31.184 15.428 1.00 47.71 A C\nATOM 720 SD MET A 793 8.821 30.169 15.693 1.00 56.46 A S\nATOM 721 CE MET A 793 7.733 30.916 14.499 1.00 48.95 A C\nATOM 722 N PRO A 794 9.162 34.859 18.553 1.00 35.55 A N\nATOM 723 CA PRO A 794 9.545 35.860 19.543 1.00 30.76 A C\nATOM 724 C PRO A 794 9.986 35.307 20.884 1.00 28.26 A C\nATOM 725 O PRO A 794 10.447 36.072 21.701 1.00 34.35 A O\nATOM 726 CB PRO A 794 8.248 36.694 19.710 1.00 42.71 A C\nATOM 727 CG PRO A 794 7.172 35.699 19.470 1.00 43.64 A C\nATOM 728 CD PRO A 794 7.693 34.780 18.392 1.00 44.18 A C\nATOM 729 N PHE A 795 9.891 33.990 21.115 1.00 29.98 A N\nATOM 730 CA PHE A 795 10.526 33.422 22.310 1.00 33.66 A C\nATOM 731 C PHE A 795 12.029 33.222 22.148 1.00 31.23 A C\nATOM 732 O PHE A 795 12.724 32.956 23.132 1.00 37.68 A O\nATOM 733 CB PHE A 795 9.840 32.132 22.793 1.00 39.00 A C\nATOM 734 CG PHE A 795 8.409 32.336 23.205 1.00 47.26 A C\nATOM 735 CD1 PHE A 795 7.408 31.504 22.721 1.00 53.18 A C\nATOM 736 CD2 PHE A 795 8.058 33.381 24.059 1.00 58.22 A C\nATOM 737 CE1 PHE A 795 6.080 31.702 23.090 1.00 72.79 A C\nATOM 738 CE2 PHE A 795 6.734 33.585 24.431 1.00 64.24 A C\nATOM 739 CZ PHE A 795 5.742 32.745 23.944 1.00 67.83 A C\nATOM 740 N GLY A 796 12.521 33.370 20.915 1.00 32.03 A N\nATOM 741 CA GLY A 796 13.979 33.388 20.629 1.00 34.05 A C\nATOM 742 C GLY A 796 14.608 32.018 20.441 1.00 33.43 A C\nATOM 743 O GLY A 796 13.889 31.009 20.242 1.00 31.30 A O\nATOM 744 N CYS A 797 15.943 31.954 20.486 1.00 30.57 A N\nATOM 745 CA CYS A 797 16.586 30.652 20.281 1.00 29.37 A C\nATOM 746 C CYS A 797 16.668 29.805 21.550 1.00 30.71 A C\nATOM 747 O CYS A 797 16.623 30.314 22.695 1.00 30.01 A O\nATOM 748 CB CYS A 797 17.978 30.814 19.648 1.00 43.11 A C\nATOM 749 SG CYS A 797 19.123 31.656 20.730 1.00 58.13 A S\nATOM 750 N LEU A 798 16.791 28.495 21.342 1.00 35.30 A N\nATOM 751 CA LEU A 798 16.874 27.549 22.445 1.00 34.49 A C\nATOM 752 C LEU A 798 18.173 27.763 23.222 1.00 29.27 A C\nATOM 753 O LEU A 798 18.205 27.541 24.431 1.00 31.95 A O\nATOM 754 CB LEU A 798 16.769 26.092 21.946 1.00 28.13 A C\nATOM 755 CG LEU A 798 16.579 25.005 23.020 1.00 30.34 A C\nATOM 756 CD1 LEU A 798 15.398 25.294 23.961 1.00 34.84 A C\nATOM 757 CD2 LEU A 798 16.357 23.627 22.364 1.00 29.21 A C\nATOM 758 N LEU A 799 19.221 28.218 22.540 1.00 31.78 A N\nATOM 759 CA LEU A 799 20.484 28.489 23.226 1.00 30.68 A C\nATOM 760 C LEU A 799 20.288 29.581 24.284 1.00 32.64 A C\nATOM 761 O LEU A 799 20.748 29.461 25.421 1.00 31.25 A O\nATOM 762 CB LEU A 799 21.592 28.875 22.230 1.00 32.88 A C\nATOM 763 CG LEU A 799 22.929 29.276 22.874 1.00 31.32 A C\nATOM 764 CD1 LEU A 799 23.518 28.108 23.667 1.00 36.85 A C\nATOM 765 CD2 LEU A 799 23.967 29.769 21.868 1.00 36.94 A C\nATOM 766 N ASP A 800 19.583 30.643 23.912 1.00 32.68 A N\nATOM 767 CA ASP A 800 19.374 31.739 24.855 1.00 34.91 A C\nATOM 768 C ASP A 800 18.443 31.291 25.942 1.00 31.79 A C\nATOM 769 O ASP A 800 18.597 31.688 27.095 1.00 32.60 A O\nATOM 770 CB ASP A 800 18.845 32.992 24.160 1.00 34.98 A C\nATOM 771 CG ASP A 800 19.900 33.683 23.315 1.00 52.24 A C\nATOM 772 OD1 ASP A 800 19.513 34.368 22.349 1.00 55.86 A O\nATOM 773 OD2 ASP A 800 21.114 33.544 23.610 1.00 50.16 A O\nATOM 774 N TYR A 801 17.485 30.434 25.575 1.00 32.99 A N\nATOM 775 CA TYR A 801 16.480 29.942 26.513 1.00 37.10 A C\nATOM 776 C TYR A 801 17.077 29.074 27.614 1.00 36.24 A C\nATOM 777 O TYR A 801 16.769 29.274 28.794 1.00 36.20 A O\nATOM 778 CB TYR A 801 15.381 29.168 25.781 1.00 31.79 A C\nATOM 779 CG TYR A 801 14.195 28.833 26.648 1.00 40.70 A C\nATOM 780 CD1 TYR A 801 14.160 27.658 27.392 1.00 40.54 A C\nATOM 781 CD2 TYR A 801 13.087 29.703 26.717 1.00 40.28 A C\nATOM 782 CE1 TYR A 801 13.060 27.344 28.187 1.00 45.35 A C\nATOM 783 CE2 TYR A 801 11.985 29.402 27.512 1.00 47.53 A C\nATOM 784 CZ TYR A 801 11.979 28.223 28.241 1.00 48.21 A C\nATOM 785 OH TYR A 801 10.900 27.909 29.028 1.00 52.74 A O\nATOM 786 N VAL A 802 17.945 28.132 27.248 1.00 34.38 A N\nATOM 787 CA VAL A 802 18.619 27.317 28.275 1.00 32.90 A C\nATOM 788 C VAL A 802 19.560 28.099 29.203 1.00 35.29 A C\nATOM 789 O VAL A 802 19.650 27.794 30.384 1.00 36.18 A O\nATOM 790 CB VAL A 802 19.318 26.049 27.707 1.00 35.68 A C\nATOM 791 CG1 VAL A 802 18.309 25.183 26.975 1.00 32.43 A C\nATOM 792 CG2 VAL A 802 20.491 26.388 26.799 1.00 30.24 A C\nATOM 793 N ARG A 803 20.273 29.077 28.652 1.00 35.21 A N\nATOM 794 CA ARG A 803 21.118 29.983 29.430 1.00 34.14 A C\nATOM 795 C ARG A 803 20.283 30.806 30.422 1.00 34.89 A C\nATOM 796 O ARG A 803 20.659 30.943 31.581 1.00 36.87 A O\nATOM 797 CB ARG A 803 21.882 30.923 28.493 1.00 37.80 A C\nATOM 798 CG ARG A 803 23.077 30.252 27.824 1.00 40.47 A C\nATOM 799 CD ARG A 803 23.626 31.102 26.693 1.00 37.81 A C\nATOM 800 NE ARG A 803 24.840 30.526 26.094 1.00 31.61 A N\nATOM 801 CZ ARG A 803 25.558 31.121 25.144 1.00 42.39 A C\nATOM 802 NH1 ARG A 803 25.187 32.304 24.666 1.00 40.81 A N\nATOM 803 NH2 ARG A 803 26.647 30.541 24.660 1.00 37.03 A N\nATOM 804 N GLU A 804 19.133 31.303 29.973 1.00 38.72 A N\nATOM 805 CA GLU A 804 18.271 32.145 30.822 1.00 41.32 A C\nATOM 806 C GLU A 804 17.514 31.355 31.902 1.00 49.15 A C\nATOM 807 O GLU A 804 17.378 31.812 33.048 1.00 42.48 A O\nATOM 808 CB GLU A 804 17.299 32.946 29.948 1.00 41.36 A C\nATOM 809 CG GLU A 804 16.339 33.862 30.708 1.00 59.06 A C\nATOM 810 CD GLU A 804 16.924 35.233 31.006 1.00 77.26 A C\nATOM 811 OE1 GLU A 804 18.167 35.388 30.997 1.00 77.65 A O\nATOM 812 OE2 GLU A 804 16.130 36.168 31.246 1.00 98.71 A O\nATOM 813 N HIS A 805 17.039 30.166 31.541 1.00 38.93 A N\nATOM 814 CA HIS A 805 16.138 29.400 32.401 1.00 43.34 A C\nATOM 815 C HIS A 805 16.748 28.177 33.068 1.00 43.35 A C\nATOM 816 O HIS A 805 16.020 27.342 33.600 1.00 51.79 A O\nATOM 817 CB HIS A 805 14.870 29.006 31.632 1.00 44.55 A C\nATOM 818 CG HIS A 805 14.083 30.182 31.156 1.00 52.86 A C\nATOM 819 ND1 HIS A 805 14.167 30.660 29.867 1.00 54.67 A N\nATOM 820 CD2 HIS A 805 13.232 31.007 31.809 1.00 55.38 A C\nATOM 821 CE1 HIS A 805 13.389 31.720 29.742 1.00 60.50 A C\nATOM 822 NE2 HIS A 805 12.809 31.950 30.905 1.00 62.29 A N\nATOM 823 N LYS A 806 18.074 28.090 33.066 1.00 44.74 A N\nATOM 824 CA LYS A 806 18.785 26.942 33.615 1.00 45.17 A C\nATOM 825 C LYS A 806 18.172 26.384 34.918 1.00 56.68 A C\nATOM 826 O LYS A 806 17.865 25.192 35.011 1.00 53.97 A O\nATOM 827 CB LYS A 806 20.268 27.288 33.806 1.00 43.12 A C\nATOM 828 CG LYS A 806 21.042 26.183 34.499 1.00 58.87 A C\nATOM 829 CD LYS A 806 22.491 26.560 34.763 1.00 64.56 A C\nATOM 830 CE LYS A 806 23.200 25.398 35.441 1.00 65.16 A C\nATOM 831 NZ LYS A 806 24.382 25.844 36.218 1.00 60.36 A N\nATOM 832 N ASP A 807 17.965 27.256 35.904 1.00 53.18 A N\nATOM 833 CA ASP A 807 17.482 26.843 37.231 1.00 56.78 A C\nATOM 834 C ASP A 807 16.028 26.323 37.271 1.00 63.01 A C\nATOM 835 O ASP A 807 15.553 25.851 38.313 1.00 56.81 A O\nATOM 836 CB ASP A 807 17.667 27.995 38.233 1.00 62.76 A C\nATOM 837 CG ASP A 807 19.124 28.431 38.363 1.00 73.79 A C\nATOM 838 OD1 ASP A 807 20.027 27.618 38.050 1.00 68.87 A O\nATOM 839 OD2 ASP A 807 19.366 29.586 38.782 1.00 75.03 A O\nATOM 840 N ASN A 808 15.330 26.396 36.142 1.00 45.89 A N\nATOM 841 CA ASN A 808 13.943 25.914 36.067 1.00 56.29 A C\nATOM 842 C ASN A 808 13.695 24.837 35.025 1.00 52.02 A C\nATOM 843 O ASN A 808 12.554 24.400 34.845 1.00 49.29 A O\nATOM 844 CB ASN A 808 12.980 27.078 35.838 1.00 48.40 A C\nATOM 845 CG ASN A 808 12.826 27.946 37.065 1.00 62.63 A C\nATOM 846 OD1 ASN A 808 12.477 27.461 38.144 1.00 73.28 A O\nATOM 847 ND2 ASN A 808 13.085 29.238 36.909 1.00 61.06 A N\nATOM 848 N ILE A 809 14.753 24.416 34.339 1.00 48.57 A N\nATOM 849 CA ILE A 809 14.637 23.400 33.288 1.00 41.03 A C\nATOM 850 C ILE A 809 14.874 21.999 33.849 1.00 45.86 A C\nATOM 851 O ILE A 809 15.958 21.694 34.351 1.00 41.10 A O\nATOM 852 CB ILE A 809 15.604 23.686 32.115 1.00 41.13 A C\nATOM 853 CG1 ILE A 809 15.190 24.972 31.390 1.00 35.35 A C\nATOM 854 CG2 ILE A 809 15.645 22.510 31.144 1.00 38.57 A C\nATOM 855 CD1 ILE A 809 16.272 25.545 30.484 1.00 34.81 A C\nATOM 856 N GLY A 810 13.852 21.151 33.736 1.00 42.20 A N\nATOM 857 CA GLY A 810 13.925 19.761 34.180 1.00 45.43 A C\nATOM 858 C GLY A 810 14.296 18.770 33.086 1.00 40.55 A C\nATOM 859 O GLY A 810 14.349 19.116 31.901 1.00 40.46 A O\nATOM 860 N SER A 811 14.534 17.525 33.485 1.00 36.70 A N\nATOM 861 CA SER A 811 15.009 16.508 32.567 1.00 39.63 A C\nATOM 862 C SER A 811 14.044 16.236 31.431 1.00 40.65 A C\nATOM 863 O SER A 811 14.482 15.944 30.322 1.00 35.55 A O\nATOM 864 CB SER A 811 15.310 15.211 33.314 1.00 42.84 A C\nATOM 865 OG SER A 811 14.205 14.860 34.128 1.00 46.09 A O\nATOM 866 N GLN A 812 12.738 16.306 31.721 1.00 36.00 A N\nATOM 867 CA GLN A 812 11.706 16.021 30.737 1.00 37.19 A C\nATOM 868 C GLN A 812 11.785 16.967 29.549 1.00 36.52 A C\nATOM 869 O GLN A 812 11.662 16.540 28.397 1.00 33.95 A O\nATOM 870 CB GLN A 812 10.313 16.118 31.379 1.00 42.80 A C\nATOM 871 CG GLN A 812 9.171 15.675 30.473 1.00 41.78 A C\nATOM 872 CD GLN A 812 9.182 14.179 30.210 1.00 46.95 A C\nATOM 873 OE1 GLN A 812 8.750 13.390 31.044 1.00 44.42 A O\nATOM 874 NE2 GLN A 812 9.675 13.785 29.044 1.00 42.08 A N\nATOM 875 N TYR A 813 11.963 18.254 29.832 1.00 32.34 A N\nATOM 876 CA TYR A 813 12.030 19.240 28.771 1.00 32.29 A C\nATOM 877 C TYR A 813 13.266 19.034 27.908 1.00 31.16 A C\nATOM 878 O TYR A 813 13.163 19.089 26.680 1.00 29.68 A O\nATOM 879 CB TYR A 813 12.024 20.652 29.344 1.00 38.14 A C\nATOM 880 CG TYR A 813 10.622 21.155 29.638 1.00 51.63 A C\nATOM 881 CD1 TYR A 813 9.906 21.869 28.679 1.00 54.26 A C\nATOM 882 CD2 TYR A 813 10.009 20.895 30.864 1.00 53.00 A C\nATOM 883 CE1 TYR A 813 8.622 22.329 28.940 1.00 68.44 A C\nATOM 884 CE2 TYR A 813 8.726 21.352 31.135 1.00 63.66 A C\nATOM 885 CZ TYR A 813 8.039 22.066 30.169 1.00 71.43 A C\nATOM 886 OH TYR A 813 6.767 22.523 30.430 1.00 76.05 A O\nATOM 887 N LEU A 814 14.420 18.807 28.549 1.00 36.58 A N\nATOM 888 CA LEU A 814 15.674 18.661 27.821 1.00 30.86 A C\nATOM 889 C LEU A 814 15.637 17.463 26.892 1.00 35.35 A C\nATOM 890 O LEU A 814 16.056 17.551 25.749 1.00 32.61 A O\nATOM 891 CB LEU A 814 16.871 18.486 28.781 1.00 34.36 A C\nATOM 892 CG LEU A 814 17.315 19.756 29.502 1.00 32.88 A C\nATOM 893 CD1 LEU A 814 18.045 19.417 30.796 1.00 31.09 A C\nATOM 894 CD2 LEU A 814 18.149 20.612 28.556 1.00 31.70 A C\nATOM 895 N LEU A 815 15.127 16.340 27.389 1.00 32.49 A N\nATOM 896 CA LEU A 815 15.018 15.148 26.557 1.00 32.42 A C\nATOM 897 C LEU A 815 13.996 15.297 25.445 1.00 28.76 A C\nATOM 898 O LEU A 815 14.208 14.802 24.337 1.00 26.06 A O\nATOM 899 CB LEU A 815 14.741 13.911 27.415 1.00 29.83 A C\nATOM 900 CG LEU A 815 15.915 13.501 28.312 1.00 33.92 A C\nATOM 901 CD1 LEU A 815 15.462 12.483 29.345 1.00 36.17 A C\nATOM 902 CD2 LEU A 815 17.080 12.941 27.508 1.00 37.71 A C\nATOM 903 N ASN A 816 12.867 15.947 25.736 1.00 30.63 A N\nATOM 904 CA ASN A 816 11.881 16.223 24.681 1.00 31.65 A C\nATOM 905 C ASN A 816 12.464 17.122 23.582 1.00 28.45 A C\nATOM 906 O ASN A 816 12.242 16.892 22.404 1.00 28.56 A O\nATOM 907 CB ASN A 816 10.589 16.848 25.249 1.00 31.15 A C\nATOM 908 CG ASN A 816 9.707 15.839 25.984 1.00 41.85 A C\nATOM 909 OD1 ASN A 816 9.945 14.631 25.965 1.00 44.46 A O\nATOM 910 ND2 ASN A 816 8.653 16.349 26.627 1.00 44.28 A N\nATOM 911 N TRP A 817 13.245 18.122 23.953 1.00 31.52 A N\nATOM 912 CA TRP A 817 13.885 18.918 22.908 1.00 34.10 A C\nATOM 913 C TRP A 817 14.764 18.075 21.997 1.00 28.46 A C\nATOM 914 O TRP A 817 14.776 18.295 20.785 1.00 27.78 A O\nATOM 915 CB TRP A 817 14.656 20.106 23.455 1.00 35.22 A C\nATOM 916 CG TRP A 817 13.763 21.120 24.175 1.00 35.48 A C\nATOM 917 CD1 TRP A 817 12.435 21.414 23.920 1.00 38.29 A C\nATOM 918 CD2 TRP A 817 14.147 21.925 25.286 1.00 33.22 A C\nATOM 919 NE1 TRP A 817 11.996 22.373 24.796 1.00 34.21 A N\nATOM 920 CE2 TRP A 817 13.019 22.700 25.653 1.00 42.26 A C\nATOM 921 CE3 TRP A 817 15.343 22.066 26.017 1.00 35.06 A C\nATOM 922 CZ2 TRP A 817 13.048 23.613 26.725 1.00 36.27 A C\nATOM 923 CZ3 TRP A 817 15.376 22.974 27.084 1.00 37.42 A C\nATOM 924 CH2 TRP A 817 14.226 23.738 27.424 1.00 39.45 A C\nATOM 925 N CYS A 818 15.495 17.121 22.578 1.00 31.30 A N\nATOM 926 CA CYS A 818 16.398 16.272 21.797 1.00 28.29 A C\nATOM 927 C CYS A 818 15.629 15.435 20.803 1.00 27.53 A C\nATOM 928 O CYS A 818 16.079 15.239 19.659 1.00 24.60 A O\nATOM 929 CB CYS A 818 17.216 15.373 22.712 1.00 30.70 A C\nATOM 930 SG CYS A 818 18.371 16.323 23.741 1.00 32.48 A S\nATOM 931 N VAL A 819 14.447 14.962 21.226 1.00 29.56 A N\nATOM 932 CA VAL A 819 13.585 14.184 20.330 1.00 26.87 A C\nATOM 933 C VAL A 819 13.133 15.070 19.189 1.00 22.48 A C\nATOM 934 O VAL A 819 13.221 14.688 18.026 1.00 27.83 A O\nATOM 935 CB VAL A 819 12.334 13.601 21.046 1.00 30.60 A C\nATOM 936 CG1 VAL A 819 11.386 12.992 20.031 1.00 33.23 A C\nATOM 937 CG2 VAL A 819 12.751 12.531 22.052 1.00 33.03 A C\nATOM 938 N GLN A 820 12.588 16.240 19.538 1.00 25.20 A N\nATOM 939 CA GLN A 820 12.071 17.161 18.544 1.00 24.15 A C\nATOM 940 C GLN A 820 13.084 17.584 17.506 1.00 28.99 A C\nATOM 941 O GLN A 820 12.771 17.653 16.320 1.00 26.26 A O\nATOM 942 CB GLN A 820 11.485 18.387 19.236 1.00 30.21 A C\nATOM 943 CG GLN A 820 10.167 18.044 19.948 1.00 29.63 A C\nATOM 944 CD GLN A 820 9.625 19.192 20.778 1.00 40.17 A C\nATOM 945 OE1 GLN A 820 10.012 20.344 20.586 1.00 38.95 A O\nATOM 946 NE2 GLN A 820 8.715 18.876 21.719 1.00 39.16 A N\nATOM 947 N ILE A 821 14.286 17.887 17.970 1.00 26.92 A N\nATOM 948 CA ILE A 821 15.378 18.243 17.044 1.00 27.15 A C\nATOM 949 C ILE A 821 15.708 17.057 16.121 1.00 21.32 A C\nATOM 950 O ILE A 821 15.835 17.221 14.917 1.00 22.85 A O\nATOM 951 CB ILE A 821 16.633 18.777 17.769 1.00 28.62 A C\nATOM 952 CG1 ILE A 821 16.328 20.096 18.516 1.00 25.26 A C\nATOM 953 CG2 ILE A 821 17.749 18.986 16.749 1.00 24.04 A C\nATOM 954 CD1 ILE A 821 17.358 20.475 19.579 1.00 24.33 A C\nATOM 955 N ALA A 822 15.776 15.855 16.678 1.00 23.15 A N\nATOM 956 CA ALA A 822 16.024 14.676 15.861 1.00 26.29 A C\nATOM 957 C ALA A 822 14.870 14.421 14.888 1.00 22.85 A C\nATOM 958 O ALA A 822 15.078 14.004 13.766 1.00 22.39 A O\nATOM 959 CB ALA A 822 16.303 13.459 16.738 1.00 32.12 A C\nATOM 960 N LYS A 823 13.620 14.706 15.281 1.00 22.94 A N\nATOM 961 CA LYS A 823 12.570 14.518 14.276 1.00 24.82 A C\nATOM 962 C LYS A 823 12.712 15.503 13.100 1.00 23.26 A C\nATOM 963 O LYS A 823 12.557 15.124 11.928 1.00 26.11 A O\nATOM 964 CB LYS A 823 11.183 14.694 14.927 1.00 22.51 A C\nATOM 965 CG LYS A 823 10.779 13.603 15.894 1.00 28.59 A C\nATOM 966 CD LYS A 823 9.395 13.859 16.515 1.00 31.72 A C\nATOM 967 CE LYS A 823 9.078 12.757 17.512 1.00 37.15 A C\nATOM 968 NZ LYS A 823 7.670 12.819 18.034 1.00 38.50 A N\nATOM 969 N GLY A 824 12.985 16.775 13.391 1.00 25.36 A N\nATOM 970 CA GLY A 824 13.145 17.759 12.309 1.00 29.39 A C\nATOM 971 C GLY A 824 14.330 17.419 11.403 1.00 26.12 A C\nATOM 972 O GLY A 824 14.287 17.590 10.179 1.00 24.27 A O\nATOM 973 N MET A 825 15.416 16.956 12.009 1.00 27.53 A N\nATOM 974 CA MET A 825 16.585 16.546 11.189 1.00 24.74 A C\nATOM 975 C MET A 825 16.271 15.293 10.348 1.00 23.11 A C\nATOM 976 O MET A 825 16.627 15.224 9.171 1.00 25.98 A O\nATOM 977 CB MET A 825 17.820 16.335 12.068 1.00 26.81 A C\nATOM 978 CG MET A 825 18.301 17.619 12.738 1.00 28.15 A C\nATOM 979 SD MET A 825 18.784 18.939 11.613 1.00 28.88 A S\nATOM 980 CE MET A 825 20.287 18.281 10.877 1.00 27.33 A C\nATOM 981 N ASN A 826 15.517 14.352 10.905 1.00 27.36 A N\nATOM 982 CA ASN A 826 15.105 13.212 10.109 1.00 26.66 A C\nATOM 983 C ASN A 826 14.194 13.641 8.933 1.00 24.20 A C\nATOM 984 O ASN A 826 14.274 13.071 7.825 1.00 22.04 A O\nATOM 985 CB ASN A 826 14.425 12.149 10.976 1.00 26.04 A C\nATOM 986 CG ASN A 826 14.052 10.912 10.187 1.00 28.55 A C\nATOM 987 OD1 ASN A 826 14.915 10.179 9.684 1.00 27.71 A O\nATOM 988 ND2 ASN A 826 12.746 10.665 10.078 1.00 31.03 A N\nATOM 989 N TYR A 827 13.365 14.662 9.159 1.00 30.63 A N\nATOM 990 CA TYR A 827 12.519 15.203 8.080 1.00 29.94 A C\nATOM 991 C TYR A 827 13.389 15.835 7.001 1.00 30.42 A C\nATOM 992 O TYR A 827 13.182 15.591 5.813 1.00 26.26 A O\nATOM 993 CB TYR A 827 11.488 16.219 8.608 1.00 27.76 A C\nATOM 994 CG TYR A 827 10.671 16.810 7.495 1.00 26.46 A C\nATOM 995 CD1 TYR A 827 9.442 16.223 7.089 1.00 28.24 A C\nATOM 996 CD2 TYR A 827 11.074 17.986 6.891 1.00 26.58 A C\nATOM 997 CE1 TYR A 827 8.711 16.792 6.051 1.00 24.43 A C\nATOM 998 CE2 TYR A 827 10.380 18.533 5.846 1.00 24.77 A C\nATOM 999 CZ TYR A 827 9.154 17.955 5.472 1.00 29.96 A C\nATOM 1000 OH TYR A 827 8.510 18.524 4.443 1.00 28.47 A O\nATOM 1001 N LEU A 828 14.400 16.619 7.395 1.00 28.36 A N\nATOM 1002 CA LEU A 828 15.313 17.165 6.391 1.00 30.91 A C\nATOM 1003 C LEU A 828 16.033 16.056 5.597 1.00 25.76 A C\nATOM 1004 O LEU A 828 16.242 16.188 4.400 1.00 24.44 A O\nATOM 1005 CB LEU A 828 16.298 18.149 7.029 1.00 24.38 A C\nATOM 1006 CG LEU A 828 15.708 19.448 7.601 1.00 26.71 A C\nATOM 1007 CD1 LEU A 828 16.776 20.314 8.270 1.00 34.46 A C\nATOM 1008 CD2 LEU A 828 15.025 20.236 6.478 1.00 32.58 A C\nATOM 1009 N GLU A 829 16.362 14.944 6.253 1.00 26.25 A N\nATOM 1010 CA GLU A 829 17.037 13.848 5.551 1.00 25.11 A C\nATOM 1011 C GLU A 829 16.085 13.197 4.524 1.00 28.25 A C\nATOM 1012 O GLU A 829 16.466 12.860 3.407 1.00 26.58 A O\nATOM 1013 CB GLU A 829 17.688 12.862 6.540 1.00 24.51 A C\nATOM 1014 CG GLU A 829 18.425 11.676 5.898 1.00 30.84 A C\nATOM 1015 CD GLU A 829 19.136 10.739 6.887 1.00 29.05 A C\nATOM 1016 OE1 GLU A 829 19.042 10.932 8.126 1.00 33.17 A O\nATOM 1017 OE2 GLU A 829 19.758 9.762 6.413 1.00 25.79 A O\nATOM 1018 N ASP A 830 14.822 13.067 4.895 1.00 28.69 A N\nATOM 1019 CA ASP A 830 13.805 12.642 3.916 1.00 32.95 A C\nATOM 1020 C ASP A 830 13.687 13.610 2.727 1.00 30.22 A C\nATOM 1021 O ASP A 830 13.474 13.181 1.591 1.00 31.90 A O\nATOM 1022 CB ASP A 830 12.453 12.404 4.600 1.00 30.71 A C\nATOM 1023 CG ASP A 830 12.429 11.120 5.445 1.00 33.56 A C\nATOM 1024 OD1 ASP A 830 11.726 11.097 6.469 1.00 33.94 A O\nATOM 1025 OD2 ASP A 830 13.131 10.142 5.116 1.00 34.53 A O\nATOM 1026 N ARG A 831 13.844 14.905 2.985 1.00 24.69 A N\nATOM 1027 CA ARG A 831 13.849 15.901 1.922 1.00 27.76 A C\nATOM 1028 C ARG A 831 15.213 15.968 1.207 1.00 30.75 A C\nATOM 1029 O ARG A 831 15.390 16.755 0.314 1.00 33.68 A O\nATOM 1030 CB ARG A 831 13.443 17.294 2.460 1.00 31.23 A C\nATOM 1031 CG ARG A 831 11.941 17.456 2.717 1.00 48.98 A C\nATOM 1032 CD ARG A 831 11.132 17.048 1.486 1.00 54.64 A C\nATOM 1033 NE ARG A 831 9.727 17.486 1.420 1.00 61.13 A N\nATOM 1034 CZ ARG A 831 9.329 18.755 1.320 1.00 57.98 A C\nATOM 1035 NH1 ARG A 831 8.030 19.054 1.222 1.00 43.34 A N\nATOM 1036 NH2 ARG A 831 10.224 19.734 1.332 1.00 75.24 A N\nATOM 1037 N ARG A 832 16.169 15.134 1.608 1.00 32.01 A N\nATOM 1038 CA ARG A 832 17.523 15.181 0.987 1.00 25.88 A C\nATOM 1039 C ARG A 832 18.165 16.581 1.055 1.00 26.82 A C\nATOM 1040 O ARG A 832 18.870 17.014 0.144 1.00 39.99 A O\nATOM 1041 CB ARG A 832 17.481 14.595 -0.449 1.00 26.75 A C\nATOM 1042 CG ARG A 832 16.852 13.203 -0.493 1.00 38.69 A C\nATOM 1043 CD ARG A 832 16.749 12.615 -1.901 1.00 44.66 A C\nATOM 1044 NE ARG A 832 18.060 12.375 -2.490 1.00 43.81 A N\nATOM 1045 CZ ARG A 832 18.292 12.142 -3.782 1.00 59.18 A C\nATOM 1046 NH1 ARG A 832 19.539 11.932 -4.198 1.00 65.97 A N\nATOM 1047 NH2 ARG A 832 17.295 12.120 -4.663 1.00 52.24 A N\nATOM 1048 N LEU A 833 17.972 17.251 2.186 1.00 27.81 A N\nATOM 1049 CA LEU A 833 18.510 18.577 2.418 1.00 34.21 A C\nATOM 1050 C LEU A 833 19.449 18.523 3.624 1.00 34.74 A C\nATOM 1051 O LEU A 833 18.999 18.429 4.771 1.00 30.53 A O\nATOM 1052 CB LEU A 833 17.364 19.579 2.657 1.00 34.42 A C\nATOM 1053 CG LEU A 833 17.613 21.095 2.539 1.00 38.35 A C\nATOM 1054 CD1 LEU A 833 16.355 21.860 2.907 1.00 47.96 A C\nATOM 1055 CD2 LEU A 833 18.768 21.594 3.393 1.00 52.23 A C\nATOM 1056 N VAL A 834 20.755 18.551 3.363 1.00 26.72 A N\nATOM 1057 CA VAL A 834 21.728 18.644 4.437 1.00 25.51 A C\nATOM 1058 C VAL A 834 21.700 20.057 5.048 1.00 23.33 A C\nATOM 1059 O VAL A 834 21.694 21.057 4.313 1.00 28.02 A O\nATOM 1060 CB VAL A 834 23.156 18.309 3.917 1.00 25.87 A C\nATOM 1061 CG1 VAL A 834 24.100 18.192 5.115 1.00 23.90 A C\nATOM 1062 CG2 VAL A 834 23.119 16.992 3.141 1.00 28.31 A C\nATOM 1063 N HIS A 835 21.660 20.124 6.381 1.00 24.32 A N\nATOM 1064 CA HIS A 835 21.506 21.383 7.113 1.00 23.28 A C\nATOM 1065 C HIS A 835 22.785 22.162 6.940 1.00 27.03 A C\nATOM 1066 O HIS A 835 22.813 23.290 6.411 1.00 26.76 A O\nATOM 1067 CB HIS A 835 21.277 21.097 8.607 1.00 22.96 A C\nATOM 1068 CG HIS A 835 20.801 22.288 9.388 1.00 25.87 A C\nATOM 1069 ND1 HIS A 835 21.552 23.426 9.550 1.00 25.72 A N\nATOM 1070 CD2 HIS A 835 19.625 22.522 10.030 1.00 29.70 A C\nATOM 1071 CE1 HIS A 835 20.875 24.313 10.264 1.00 26.78 A C\nATOM 1072 NE2 HIS A 835 19.701 23.783 10.576 1.00 27.19 A N\nATOM 1073 N ARG A 836 23.853 21.527 7.386 1.00 25.53 A N\nATOM 1074 CA ARG A 836 25.221 22.123 7.370 1.00 24.68 A C\nATOM 1075 C ARG A 836 25.537 23.182 8.437 1.00 30.73 A C\nATOM 1076 O ARG A 836 26.695 23.623 8.533 1.00 31.37 A O\nATOM 1077 CB ARG A 836 25.601 22.653 5.966 1.00 29.95 A C\nATOM 1078 CG ARG A 836 25.531 21.613 4.858 1.00 29.36 A C\nATOM 1079 CD ARG A 836 25.842 22.225 3.503 1.00 35.72 A C\nATOM 1080 NE ARG A 836 25.737 21.236 2.426 1.00 35.96 A N\nATOM 1081 CZ ARG A 836 24.613 20.915 1.795 1.00 42.66 A C\nATOM 1082 NH1 ARG A 836 23.454 21.500 2.119 1.00 43.85 A N\nATOM 1083 NH2 ARG A 836 24.655 20.006 0.825 1.00 45.95 A N\nATOM 1084 N ASP A 837 24.564 23.573 9.252 1.00 28.01 A N\nATOM 1085 CA ASP A 837 24.814 24.539 10.330 1.00 30.26 A C\nATOM 1086 C ASP A 837 23.893 24.288 11.553 1.00 24.80 A C\nATOM 1087 O ASP A 837 23.436 25.220 12.215 1.00 27.76 A O\nATOM 1088 CB ASP A 837 24.667 25.972 9.766 1.00 35.19 A C\nATOM 1089 CG ASP A 837 25.123 27.070 10.730 1.00 39.72 A C\nATOM 1090 OD1 ASP A 837 24.630 28.217 10.587 1.00 39.41 A O\nATOM 1091 OD2 ASP A 837 25.968 26.824 11.608 1.00 39.11 A O\nATOM 1092 N LEU A 838 23.664 23.019 11.894 1.00 22.90 A N\nATOM 1093 CA LEU A 838 22.936 22.738 13.109 1.00 26.01 A C\nATOM 1094 C LEU A 838 23.734 23.109 14.359 1.00 31.57 A C\nATOM 1095 O LEU A 838 24.933 22.815 14.484 1.00 23.80 A O\nATOM 1096 CB LEU A 838 22.428 21.289 13.139 1.00 23.02 A C\nATOM 1097 CG LEU A 838 21.594 20.979 14.380 1.00 21.58 A C\nATOM 1098 CD1 LEU A 838 20.220 21.710 14.325 1.00 23.98 A C\nATOM 1099 CD2 LEU A 838 21.381 19.486 14.377 1.00 26.15 A C\nATOM 1100 N ALA A 839 23.056 23.809 15.260 1.00 25.46 A N\nATOM 1101 CA ALA A 839 23.624 24.344 16.489 1.00 26.75 A C\nATOM 1102 C ALA A 839 22.450 24.802 17.349 1.00 26.96 A C\nATOM 1103 O ALA A 839 21.368 25.075 16.818 1.00 27.56 A O\nATOM 1104 CB ALA A 839 24.560 25.503 16.172 1.00 26.89 A C\nATOM 1105 N ALA A 840 22.647 24.874 18.660 1.00 25.41 A N\nATOM 1106 CA ALA A 840 21.586 25.344 19.568 1.00 28.19 A C\nATOM 1107 C ALA A 840 21.088 26.729 19.178 1.00 32.62 A C\nATOM 1108 O ALA A 840 19.888 27.022 19.337 1.00 26.09 A O\nATOM 1109 CB ALA A 840 22.036 25.315 21.015 1.00 31.55 A C\nATOM 1110 N ARG A 841 21.988 27.573 18.667 1.00 26.53 A N\nATOM 1111 CA ARG A 841 21.564 28.878 18.116 1.00 33.68 A C\nATOM 1112 C ARG A 841 20.540 28.815 16.971 1.00 29.87 A C\nATOM 1113 O ARG A 841 19.785 29.780 16.780 1.00 30.30 A O\nATOM 1114 CB ARG A 841 22.764 29.723 17.692 1.00 28.34 A C\nATOM 1115 CG ARG A 841 23.404 29.295 16.373 1.00 26.85 A C\nATOM 1116 CD ARG A 841 24.776 29.947 16.162 1.00 29.53 A C\nATOM 1117 NE ARG A 841 25.422 29.243 15.073 1.00 31.29 A N\nATOM 1118 CZ ARG A 841 26.341 28.302 15.254 1.00 39.55 A C\nATOM 1119 NH1 ARG A 841 26.771 28.031 16.482 1.00 34.98 A N\nATOM 1120 NH2 ARG A 841 26.851 27.654 14.208 1.00 34.16 A N\nATOM 1121 N ASN A 842 20.510 27.690 16.239 1.00 27.08 A N\nATOM 1122 CA ASN A 842 19.637 27.487 15.083 1.00 30.03 A C\nATOM 1123 C ASN A 842 18.422 26.601 15.370 1.00 24.67 A C\nATOM 1124 O ASN A 842 17.845 25.978 14.469 1.00 27.99 A O\nATOM 1125 CB ASN A 842 20.435 27.010 13.873 1.00 29.06 A C\nATOM 1126 CG ASN A 842 21.262 28.134 13.254 1.00 37.72 A C\nATOM 1127 OD1 ASN A 842 20.864 29.305 13.306 1.00 30.50 A O\nATOM 1128 ND2 ASN A 842 22.422 27.794 12.679 1.00 29.81 A N\nATOM 1129 N VAL A 843 18.136 26.486 16.658 1.00 23.76 A N\nATOM 1130 CA VAL A 843 16.903 25.867 17.159 1.00 30.91 A C\nATOM 1131 C VAL A 843 16.114 26.985 17.836 1.00 31.47 A C\nATOM 1132 O VAL A 843 16.638 27.662 18.721 1.00 31.89 A O\nATOM 1133 CB VAL A 843 17.212 24.725 18.140 1.00 27.97 A C\nATOM 1134 CG1 VAL A 843 15.915 24.065 18.619 1.00 27.30 A C\nATOM 1135 CG2 VAL A 843 18.140 23.693 17.466 1.00 24.18 A C\nATOM 1136 N LEU A 844 14.852 27.149 17.445 1.00 31.01 A N\nATOM 1137 CA LEU A 844 14.016 28.272 17.951 1.00 28.78 A C\nATOM 1138 C LEU A 844 12.878 27.747 18.798 1.00 31.95 A C\nATOM 1139 O LEU A 844 12.356 26.667 18.531 1.00 29.93 A O\nATOM 1140 CB LEU A 844 13.463 29.114 16.782 1.00 31.04 A C\nATOM 1141 CG LEU A 844 14.521 29.764 15.877 1.00 31.25 A C\nATOM 1142 CD1 LEU A 844 13.961 30.700 14.816 1.00 33.04 A C\nATOM 1143 CD2 LEU A 844 15.550 30.506 16.706 1.00 35.54 A C\nATOM 1144 N VAL A 845 12.508 28.516 19.819 1.00 33.45 A N\nATOM 1145 CA VAL A 845 11.410 28.169 20.722 1.00 37.40 A C\nATOM 1146 C VAL A 845 10.050 28.660 20.197 1.00 39.79 A C\nATOM 1147 O VAL A 845 9.791 29.864 20.151 1.00 40.55 A O\nATOM 1148 CB VAL A 845 11.706 28.704 22.144 1.00 37.90 A C\nATOM 1149 CG1 VAL A 845 10.598 28.332 23.123 1.00 34.42 A C\nATOM 1150 CG2 VAL A 845 13.046 28.162 22.639 1.00 34.23 A C\nATOM 1151 N LYS A 846 9.193 27.725 19.786 1.00 36.10 A N\nATOM 1152 CA LYS A 846 7.792 28.043 19.467 1.00 43.58 A C\nATOM 1153 C LYS A 846 7.040 28.141 20.792 1.00 38.19 A C\nATOM 1154 O LYS A 846 6.412 29.158 21.072 1.00 44.16 A O\nATOM 1155 CB LYS A 846 7.146 27.007 18.536 1.00 37.43 A C\nATOM 1156 CG LYS A 846 5.735 27.380 18.068 1.00 51.46 A C\nATOM 1157 CD LYS A 846 5.003 26.147 17.561 1.00 57.04 A C\nATOM 1158 CE LYS A 846 4.089 26.461 16.386 1.00 75.97 A C\nATOM 1159 NZ LYS A 846 2.821 27.114 16.809 1.00 61.01 A N\nATOM 1160 N THR A 847 7.130 27.085 21.599 1.00 36.95 A N\nATOM 1161 CA THR A 847 6.734 27.118 23.010 1.00 39.96 A C\nATOM 1162 C THR A 847 7.791 26.344 23.785 1.00 49.25 A C\nATOM 1163 O THR A 847 8.513 25.553 23.189 1.00 46.91 A O\nATOM 1164 CB THR A 847 5.344 26.477 23.270 1.00 42.03 A C\nATOM 1165 OG1 THR A 847 5.416 25.049 23.139 1.00 40.28 A O\nATOM 1166 CG2 THR A 847 4.263 27.039 22.331 1.00 47.29 A C\nATOM 1167 N PRO A 848 7.901 26.572 25.111 1.00 47.74 A N\nATOM 1168 CA PRO A 848 8.844 25.778 25.902 1.00 44.52 A C\nATOM 1169 C PRO A 848 8.762 24.277 25.619 1.00 44.91 A C\nATOM 1170 O PRO A 848 9.757 23.575 25.766 1.00 45.92 A O\nATOM 1171 CB PRO A 848 8.410 26.061 27.339 1.00 47.17 A C\nATOM 1172 CG PRO A 848 7.836 27.433 27.296 1.00 54.20 A C\nATOM 1173 CD PRO A 848 7.324 27.679 25.899 1.00 53.60 A C\nATOM 1174 N GLN A 849 7.596 23.779 25.211 1.00 43.27 A N\nATOM 1175 CA GLN A 849 7.475 22.347 24.901 1.00 42.19 A C\nATOM 1176 C GLN A 849 7.481 22.009 23.389 1.00 42.64 A C\nATOM 1177 O GLN A 849 7.190 20.866 23.001 1.00 45.37 A O\nATOM 1178 CB GLN A 849 6.267 21.718 25.627 1.00 58.29 A C\nATOM 1179 CG GLN A 849 4.961 22.504 25.555 1.00 66.43 A C\nATOM 1180 CD GLN A 849 4.884 23.642 26.570 1.00 62.36 A C\nATOM 1181 OE1 GLN A 849 4.609 24.782 26.211 1.00 63.71 A O\nATOM 1182 NE2 GLN A 849 5.141 23.334 27.838 1.00 63.07 A N\nATOM 1183 N HIS A 850 7.806 22.998 22.549 1.00 43.34 A N\nATOM 1184 CA HIS A 850 7.827 22.837 21.080 1.00 36.09 A C\nATOM 1185 C HIS A 850 8.939 23.707 20.451 1.00 35.72 A C\nATOM 1186 O HIS A 850 8.834 24.935 20.398 1.00 38.30 A O\nATOM 1187 CB HIS A 850 6.465 23.232 20.495 1.00 47.52 A C\nATOM 1188 CG HIS A 850 6.285 22.897 19.044 1.00 56.05 A C\nATOM 1189 ND1 HIS A 850 5.061 22.545 18.513 1.00 67.56 A N\nATOM 1190 CD2 HIS A 850 7.165 22.862 18.013 1.00 46.60 A C\nATOM 1191 CE1 HIS A 850 5.195 22.314 17.219 1.00 61.32 A C\nATOM 1192 NE2 HIS A 850 6.461 22.497 16.891 1.00 50.10 A N\nATOM 1193 N VAL A 851 9.997 23.065 19.957 1.00 30.62 A N\nATOM 1194 CA VAL A 851 11.119 23.801 19.316 1.00 27.66 A C\nATOM 1195 C VAL A 851 11.258 23.414 17.837 1.00 29.34 A C\nATOM 1196 O VAL A 851 10.790 22.339 17.409 1.00 37.31 A O\nATOM 1197 CB VAL A 851 12.459 23.615 20.093 1.00 27.08 A C\nATOM 1198 CG1 VAL A 851 12.320 24.093 21.527 1.00 28.71 A C\nATOM 1199 CG2 VAL A 851 12.917 22.166 20.074 1.00 29.61 A C\nATOM 1200 N LYS A 852 11.848 24.295 17.049 1.00 25.66 A N\nATOM 1201 CA LYS A 852 11.927 24.130 15.593 1.00 29.99 A C\nATOM 1202 C LYS A 852 13.322 24.502 15.084 1.00 31.41 A C\nATOM 1203 O LYS A 852 13.919 25.461 15.577 1.00 32.82 A O\nATOM 1204 CB LYS A 852 10.930 25.045 14.883 1.00 29.63 A C\nATOM 1205 CG LYS A 852 9.481 24.848 15.301 1.00 35.70 A C\nATOM 1206 CD LYS A 852 8.547 25.799 14.559 1.00 39.50 A C\nATOM 1207 CE LYS A 852 8.240 25.299 13.156 1.00 45.39 A C\nATOM 1208 NZ LYS A 852 7.134 26.073 12.523 1.00 54.24 A N\nATOM 1209 N ILE A 853 13.787 23.781 14.065 1.00 27.56 A N\nATOM 1210 CA ILE A 853 15.114 24.014 13.466 1.00 30.12 A C\nATOM 1211 C ILE A 853 15.005 25.045 12.339 1.00 31.59 A C\nATOM 1212 O ILE A 853 14.017 25.067 11.596 1.00 31.70 A O\nATOM 1213 CB ILE A 853 15.695 22.700 12.885 1.00 25.76 A C\nATOM 1214 CG1 ILE A 853 15.805 21.647 13.983 1.00 26.76 A C\nATOM 1215 CG2 ILE A 853 17.031 22.964 12.191 1.00 32.39 A C\nATOM 1216 CD1 ILE A 853 15.788 20.251 13.420 1.00 36.59 A C\nATOM 1217 N THR A 854 16.008 25.909 12.237 1.00 25.25 A N\nATOM 1218 CA THR A 854 16.073 26.896 11.179 1.00 27.24 A C\nATOM 1219 C THR A 854 17.503 26.936 10.582 1.00 28.06 A C\nATOM 1220 O THR A 854 18.380 26.227 11.069 1.00 31.74 A O\nATOM 1221 CB THR A 854 15.656 28.302 11.705 1.00 24.66 A C\nATOM 1222 OG1 THR A 854 15.473 29.166 10.579 1.00 25.50 A O\nATOM 1223 CG2 THR A 854 16.714 28.916 12.649 1.00 28.04 A C\nATOM 1224 N ASP A 855 17.692 27.727 9.517 1.00 26.22 A N\nATOM 1225 CA ASP A 855 19.025 28.078 8.949 1.00 33.58 A C\nATOM 1226 C ASP A 855 19.662 26.928 8.139 1.00 27.70 A C\nATOM 1227 O ASP A 855 20.866 26.952 7.856 1.00 41.67 A O\nATOM 1228 CB ASP A 855 19.977 28.578 10.059 1.00 34.40 A C\nATOM 1229 CG ASP A 855 20.915 29.702 9.592 1.00 43.40 A C\nATOM 1230 OD1 ASP A 855 20.500 30.546 8.761 1.00 40.77 A O\nATOM 1231 OD2 ASP A 855 22.072 29.765 10.083 1.00 42.67 A O\nATOM 1232 N PHE A 856 18.848 25.931 7.775 1.00 31.84 A N\nATOM 1233 CA PHE A 856 19.295 24.768 6.988 1.00 27.77 A C\nATOM 1234 C PHE A 856 19.514 25.134 5.526 1.00 38.25 A C\nATOM 1235 O PHE A 856 18.707 25.862 4.918 1.00 35.00 A O\nATOM 1236 CB PHE A 856 18.299 23.609 7.116 1.00 31.72 A C\nATOM 1237 CG PHE A 856 16.859 24.013 6.902 1.00 37.42 A C\nATOM 1238 CD1 PHE A 856 16.058 24.398 7.982 1.00 39.39 A C\nATOM 1239 CD2 PHE A 856 16.313 24.012 5.628 1.00 35.12 A C\nATOM 1240 CE1 PHE A 856 14.722 24.772 7.786 1.00 33.38 A C\nATOM 1241 CE2 PHE A 856 14.977 24.374 5.431 1.00 41.41 A C\nATOM 1242 CZ PHE A 856 14.198 24.755 6.510 1.00 31.08 A C\nATOM 1243 N GLY A 857 20.622 24.655 4.960 1.00 31.90 A N\nATOM 1244 CA GLY A 857 20.859 24.804 3.519 1.00 31.25 A C\nATOM 1245 C GLY A 857 21.491 26.110 3.089 1.00 35.22 A C\nATOM 1246 O GLY A 857 21.668 26.359 1.897 1.00 36.36 A O\nATOM 1247 N LEU A 858 21.834 26.959 4.051 1.00 36.41 A N\nATOM 1248 CA LEU A 858 22.374 28.251 3.733 1.00 33.90 A C\nATOM 1249 C LEU A 858 23.850 28.082 3.359 1.00 36.55 A C\nATOM 1250 O LEU A 858 24.343 28.746 2.449 1.00 35.70 A O\nATOM 1251 CB LEU A 858 22.223 29.193 4.931 1.00 41.10 A C\nATOM 1252 CG LEU A 858 22.171 30.700 4.704 1.00 43.83 A C\nATOM 1253 CD1 LEU A 858 21.064 31.083 3.723 1.00 46.99 A C\nATOM 1254 CD2 LEU A 858 21.948 31.375 6.046 1.00 35.64 A C\nATOM 1255 N ALA A 859 24.532 27.169 4.052 1.00 35.60 A N\nATOM 1256 CA ALA A 859 25.942 26.925 3.767 1.00 37.84 A C\nATOM 1257 C ALA A 859 26.099 26.444 2.330 1.00 40.12 A C\nATOM 1258 O ALA A 859 27.072 26.801 1.659 1.00 37.50 A O\nATOM 1259 CB ALA A 859 26.545 25.930 4.746 1.00 34.95 A C\nATOM 1260 N LYS A 860 25.133 25.648 1.851 1.00 35.37 A N\nATOM 1261 CA LYS A 860 25.130 25.217 0.457 1.00 40.64 A C\nATOM 1262 C LYS A 860 24.865 26.396 -0.464 1.00 37.43 A C\nATOM 1263 O LYS A 860 25.539 26.565 -1.475 1.00 43.25 A O\nATOM 1264 CB LYS A 860 24.093 24.118 0.194 1.00 47.18 A C\nATOM 1265 CG LYS A 860 23.823 23.875 -1.292 1.00 52.81 A C\nATOM 1266 CD LYS A 860 23.407 22.442 -1.573 1.00 54.14 A C\nATOM 1267 CE LYS A 860 23.585 22.101 -3.044 1.00 65.94 A C\nATOM 1268 NZ LYS A 860 23.618 20.628 -3.255 1.00 73.01 A N\nATOM 1269 N LEU A 861 23.869 27.198 -0.120 1.00 35.22 A N\nATOM 1270 CA LEU A 861 23.469 28.302 -0.989 1.00 42.52 A C\nATOM 1271 C LEU A 861 24.635 29.262 -1.217 1.00 43.31 A C\nATOM 1272 O LEU A 861 24.785 29.824 -2.307 1.00 42.59 A O\nATOM 1273 CB LEU A 861 22.281 29.042 -0.379 1.00 45.30 A C\nATOM 1274 CG LEU A 861 21.724 30.283 -1.079 1.00 60.80 A C\nATOM 1275 CD1 LEU A 861 21.344 29.986 -2.523 1.00 74.68 A C\nATOM 1276 CD2 LEU A 861 20.527 30.808 -0.297 1.00 46.66 A C\nATOM 1277 N LEU A 862 25.458 29.422 -0.184 1.00 43.61 A N\nATOM 1278 CA LEU A 862 26.554 30.390 -0.192 1.00 47.31 A C\nATOM 1279 C LEU A 862 27.869 29.821 -0.747 1.00 48.26 A C\nATOM 1280 O LEU A 862 28.882 30.523 -0.807 1.00 49.35 A O\nATOM 1281 CB LEU A 862 26.749 30.970 1.218 1.00 45.15 A C\nATOM 1282 CG LEU A 862 25.676 31.944 1.740 1.00 45.97 A C\nATOM 1283 CD1 LEU A 862 25.961 32.300 3.191 1.00 48.31 A C\nATOM 1284 CD2 LEU A 862 25.608 33.210 0.888 1.00 47.47 A C\nATOM 1285 N GLY A 863 27.853 28.549 -1.142 1.00 49.38 A N\nATOM 1286 CA GLY A 863 29.018 27.916 -1.781 1.00 45.16 A C\nATOM 1287 C GLY A 863 30.128 27.447 -0.847 1.00 39.80 A C\nATOM 1288 O GLY A 863 31.286 27.311 -1.271 1.00 50.15 A O\nATOM 1289 N ALA A 864 29.787 27.166 0.413 1.00 40.85 A N\nATOM 1290 CA ALA A 864 30.789 26.748 1.398 1.00 42.57 A C\nATOM 1291 C ALA A 864 31.329 25.336 1.148 1.00 38.79 A C\nATOM 1292 O ALA A 864 32.211 24.884 1.866 1.00 42.81 A O\nATOM 1293 CB ALA A 864 30.257 26.864 2.811 1.00 41.45 A C\nATOM 1294 N GLU A 865 30.779 24.650 0.148 1.00 36.82 A N\nATOM 1295 CA GLU A 865 31.281 23.322 -0.252 1.00 44.30 A C\nATOM 1296 C GLU A 865 32.377 23.443 -1.311 1.00 47.98 A C\nATOM 1297 O GLU A 865 32.982 22.444 -1.707 1.00 40.23 A O\nATOM 1298 CB GLU A 865 30.145 22.407 -0.761 1.00 41.00 A C\nATOM 1299 CG GLU A 865 29.020 22.190 0.244 1.00 53.30 A C\nATOM 1300 CD GLU A 865 28.086 21.053 -0.137 1.00 66.21 A C\nATOM 1301 OE1 GLU A 865 27.442 20.512 0.782 1.00 56.09 A O\nATOM 1302 OE2 GLU A 865 27.997 20.692 -1.337 1.00 63.67 A O\nATOM 1303 N GLU A 866 32.612 24.670 -1.770 1.00 47.17 A N\nATOM 1304 CA GLU A 866 33.608 24.955 -2.807 1.00 46.40 A C\nATOM 1305 C GLU A 866 34.700 25.832 -2.210 1.00 40.98 A C\nATOM 1306 O GLU A 866 34.497 26.450 -1.164 1.00 38.94 A O\nATOM 1307 CB GLU A 866 32.956 25.644 -4.019 1.00 46.22 A C\nATOM 1308 CG GLU A 866 32.102 24.730 -4.897 1.00 54.50 A C\nATOM 1309 CD GLU A 866 30.714 24.468 -4.337 1.00 68.80 A C\nATOM 1310 OE1 GLU A 866 30.121 23.425 -4.688 1.00 79.63 A O\nATOM 1311 OE2 GLU A 866 30.206 25.299 -3.553 1.00 68.10 A O\nATOM 1312 N LYS A 867 35.854 25.893 -2.877 1.00 37.24 A N\nATOM 1313 CA LYS A 867 37.036 26.539 -2.313 1.00 47.53 A C\nATOM 1314 C LYS A 867 36.911 28.067 -2.320 1.00 42.85 A C\nATOM 1315 O LYS A 867 37.482 28.740 -1.459 1.00 40.83 A O\nATOM 1316 CB LYS A 867 38.325 26.074 -3.037 1.00 37.61 A C\nATOM 1317 CG LYS A 867 38.432 26.433 -4.517 1.00 41.83 A C\nATOM 1318 CD LYS A 867 39.175 25.359 -5.323 1.00 39.74 A C\nATOM 1319 CE LYS A 867 38.867 25.438 -6.819 1.00 39.65 A C\nATOM 1320 NZ LYS A 867 37.395 25.435 -7.144 1.00 43.75 A N\nATOM 1321 N GLU A 868 36.150 28.584 -3.288 1.00 40.06 A N\nATOM 1322 CA GLU A 868 36.053 30.019 -3.559 1.00 46.64 A C\nATOM 1323 C GLU A 868 35.553 30.809 -2.344 1.00 48.10 A C\nATOM 1324 O GLU A 868 36.168 31.809 -1.964 1.00 42.32 A O\nATOM 1325 CB GLU A 868 35.192 30.281 -4.806 1.00 51.74 A C\nATOM 1326 CG GLU A 868 35.891 29.990 -6.136 1.00 53.17 A C\nATOM 1327 CD GLU A 868 35.976 28.505 -6.493 1.00 55.69 A C\nATOM 1328 OE1 GLU A 868 35.179 27.686 -5.971 1.00 42.46 A O\nATOM 1329 OE2 GLU A 868 36.850 28.153 -7.324 1.00 48.42 A O\nATOM 1330 N TYR A 869 34.454 30.346 -1.739 1.00 45.27 A N\nATOM 1331 CA TYR A 869 33.932 30.900 -0.471 1.00 44.49 A C\nATOM 1332 C TYR A 869 35.024 31.102 0.592 1.00 48.57 A C\nATOM 1333 O TYR A 869 35.104 32.164 1.215 1.00 44.29 A O\nATOM 1334 CB TYR A 869 32.801 29.997 0.082 1.00 48.00 A C\nATOM 1335 CG TYR A 869 32.241 30.446 1.420 1.00 43.34 A C\nATOM 1336 CD1 TYR A 869 32.588 29.791 2.597 1.00 37.95 A C\nATOM 1337 CD2 TYR A 869 31.372 31.544 1.509 1.00 44.45 A C\nATOM 1338 CE1 TYR A 869 32.083 30.202 3.827 1.00 37.47 A C\nATOM 1339 CE2 TYR A 869 30.878 31.968 2.739 1.00 42.96 A C\nATOM 1340 CZ TYR A 869 31.234 31.291 3.891 1.00 42.37 A C\nATOM 1341 OH TYR A 869 30.756 31.702 5.118 1.00 42.81 A O\nATOM 1342 N HIS A 870 35.870 30.090 0.777 1.00 42.45 A N\nATOM 1343 CA HIS A 870 36.910 30.105 1.819 1.00 39.96 A C\nATOM 1344 C HIS A 870 38.101 30.984 1.432 1.00 48.03 A C\nATOM 1345 O HIS A 870 38.716 31.644 2.285 1.00 44.35 A O\nATOM 1346 CB HIS A 870 37.352 28.671 2.130 1.00 43.61 A C\nATOM 1347 CG HIS A 870 36.249 27.816 2.689 1.00 45.24 A C\nATOM 1348 ND1 HIS A 870 35.330 27.165 1.891 1.00 48.50 A N\nATOM 1349 CD2 HIS A 870 35.909 27.525 3.966 1.00 41.55 A C\nATOM 1350 CE1 HIS A 870 34.478 26.501 2.653 1.00 40.12 A C\nATOM 1351 NE2 HIS A 870 34.803 26.708 3.917 1.00 54.39 A N\nATOM 1352 N ALA A 871 38.424 30.987 0.142 1.00 48.53 A N\nATOM 1353 CA ALA A 871 39.483 31.851 -0.386 1.00 52.92 A C\nATOM 1354 C ALA A 871 39.090 33.330 -0.289 1.00 57.64 A C\nATOM 1355 O ALA A 871 39.955 34.191 -0.122 1.00 49.04 A O\nATOM 1356 CB ALA A 871 39.812 31.468 -1.828 1.00 50.28 A C\nATOM 1357 N GLU A 872 37.784 33.610 -0.363 1.00 52.01 A N\nATOM 1358 CA GLU A 872 37.262 34.982 -0.336 1.00 56.03 A C\nATOM 1359 C GLU A 872 36.943 35.500 1.077 1.00 59.17 A C\nATOM 1360 O GLU A 872 36.239 36.500 1.231 1.00 61.85 A O\nATOM 1361 CB GLU A 872 36.029 35.099 -1.244 1.00 68.02 A C\nATOM 1362 CG GLU A 872 36.346 35.099 -2.734 1.00 77.21 A C\nATOM 1363 CD GLU A 872 35.157 34.711 -3.601 1.00 97.81 A C\nATOM 1364 OE1 GLU A 872 34.010 35.092 -3.275 1.00102.61 A O\nATOM 1365 OE2 GLU A 872 35.372 34.023 -4.622 1.00 97.00 A O\nATOM 1366 N GLY A 873 37.469 34.823 2.098 1.00 58.69 A N\nATOM 1367 CA GLY A 873 37.326 35.262 3.487 1.00 54.40 A C\nATOM 1368 C GLY A 873 36.155 34.670 4.258 1.00 44.99 A C\nATOM 1369 O GLY A 873 35.994 34.948 5.449 1.00 46.72 A O\nATOM 1370 N GLY A 874 35.348 33.841 3.597 1.00 41.02 A N\nATOM 1371 CA GLY A 874 34.156 33.248 4.231 1.00 46.70 A C\nATOM 1372 C GLY A 874 34.533 32.316 5.367 1.00 46.89 A C\nATOM 1373 O GLY A 874 35.565 31.640 5.303 1.00 38.65 A O\nATOM 1374 N LYS A 875 33.707 32.283 6.417 1.00 40.97 A N\nATOM 1375 CA LYS A 875 33.971 31.414 7.573 1.00 44.70 A C\nATOM 1376 C LYS A 875 32.851 30.407 7.758 1.00 45.71 A C\nATOM 1377 O LYS A 875 31.728 30.605 7.264 1.00 42.27 A O\nATOM 1378 CB LYS A 875 34.153 32.227 8.861 1.00 57.63 A C\nATOM 1379 CG LYS A 875 35.303 33.225 8.833 1.00 64.74 A C\nATOM 1380 CD LYS A 875 36.627 32.601 9.255 1.00 68.35 A C\nATOM 1381 CE LYS A 875 37.710 33.669 9.334 1.00 73.60 A C\nATOM 1382 NZ LYS A 875 38.878 33.251 10.159 1.00 70.79 A N\nATOM 1383 N VAL A 876 33.178 29.320 8.449 1.00 41.20 A N\nATOM 1384 CA VAL A 876 32.211 28.241 8.736 1.00 40.30 A C\nATOM 1385 C VAL A 876 32.294 27.905 10.232 1.00 36.00 A C\nATOM 1386 O VAL A 876 33.310 28.204 10.880 1.00 41.42 A O\nATOM 1387 CB VAL A 876 32.448 26.993 7.845 1.00 35.33 A C\nATOM 1388 CG1 VAL A 876 31.864 27.218 6.452 1.00 38.11 A C\nATOM 1389 CG2 VAL A 876 33.937 26.669 7.743 1.00 40.25 A C\nATOM 1390 N PRO A 877 31.232 27.304 10.788 1.00 36.65 A N\nATOM 1391 CA PRO A 877 31.168 27.085 12.243 1.00 32.43 A C\nATOM 1392 C PRO A 877 31.989 25.871 12.669 1.00 33.61 A C\nATOM 1393 O PRO A 877 31.446 24.822 12.981 1.00 29.15 A O\nATOM 1394 CB PRO A 877 29.664 26.864 12.491 1.00 35.69 A C\nATOM 1395 CG PRO A 877 29.144 26.302 11.211 1.00 33.67 A C\nATOM 1396 CD PRO A 877 29.979 26.910 10.106 1.00 41.66 A C\nATOM 1397 N ILE A 878 33.310 26.025 12.729 1.00 27.90 A N\nATOM 1398 CA ILE A 878 34.195 24.889 12.915 1.00 32.46 A C\nATOM 1399 C ILE A 878 33.910 24.020 14.142 1.00 28.85 A C\nATOM 1400 O ILE A 878 34.082 22.801 14.086 1.00 28.98 A O\nATOM 1401 CB ILE A 878 35.683 25.345 12.980 1.00 32.09 A C\nATOM 1402 CG1 ILE A 878 36.148 25.881 11.621 1.00 36.30 A C\nATOM 1403 CG2 ILE A 878 36.569 24.207 13.469 1.00 32.69 A C\nATOM 1404 CD1 ILE A 878 36.435 24.842 10.543 1.00 39.95 A C\nATOM 1405 N LYS A 879 33.533 24.645 15.259 1.00 29.60 A N\nATOM 1406 CA LYS A 879 33.367 23.911 16.510 1.00 26.22 A C\nATOM 1407 C LYS A 879 32.094 23.034 16.526 1.00 24.84 A C\nATOM 1408 O LYS A 879 31.891 22.260 17.448 1.00 28.78 A O\nATOM 1409 CB LYS A 879 33.430 24.858 17.716 1.00 28.83 A C\nATOM 1410 CG LYS A 879 34.842 25.401 17.951 1.00 38.19 A C\nATOM 1411 CD LYS A 879 34.830 26.562 18.934 1.00 40.19 A C\nATOM 1412 CE LYS A 879 36.246 27.029 19.228 1.00 32.84 A C\nATOM 1413 NZ LYS A 879 36.263 28.136 20.240 1.00 34.70 A N\nATOM 1414 N TRP A 880 31.280 23.157 15.489 1.00 24.85 A N\nATOM 1415 CA TRP A 880 30.110 22.292 15.307 1.00 31.64 A C\nATOM 1416 C TRP A 880 30.306 21.259 14.183 1.00 30.59 A C\nATOM 1417 O TRP A 880 29.457 20.390 13.978 1.00 34.02 A O\nATOM 1418 CB TRP A 880 28.878 23.149 15.031 1.00 27.14 A C\nATOM 1419 CG TRP A 880 28.339 23.795 16.290 1.00 28.73 A C\nATOM 1420 CD1 TRP A 880 27.276 23.367 17.051 1.00 28.66 A C\nATOM 1421 CD2 TRP A 880 28.859 24.962 16.945 1.00 31.97 A C\nATOM 1422 NE1 TRP A 880 27.115 24.199 18.138 1.00 28.60 A N\nATOM 1423 CE2 TRP A 880 28.064 25.190 18.091 1.00 30.62 A C\nATOM 1424 CE3 TRP A 880 29.917 25.850 16.662 1.00 31.59 A C\nATOM 1425 CZ2 TRP A 880 28.291 26.276 18.965 1.00 31.23 A C\nATOM 1426 CZ3 TRP A 880 30.154 26.923 17.542 1.00 30.88 A C\nATOM 1427 CH2 TRP A 880 29.358 27.112 18.676 1.00 25.65 A C\nATOM 1428 N MET A 881 31.427 21.349 13.460 1.00 27.44 A N\nATOM 1429 CA MET A 881 31.540 20.623 12.193 1.00 26.86 A C\nATOM 1430 C MET A 881 32.150 19.249 12.353 1.00 28.50 A C\nATOM 1431 O MET A 881 33.062 19.068 13.159 1.00 28.72 A O\nATOM 1432 CB MET A 881 32.326 21.432 11.154 1.00 29.39 A C\nATOM 1433 CG MET A 881 31.563 22.600 10.554 1.00 32.10 A C\nATOM 1434 SD MET A 881 32.705 23.710 9.728 1.00 36.98 A S\nATOM 1435 CE MET A 881 33.274 22.696 8.370 1.00 32.20 A C\nATOM 1436 N ALA A 882 31.666 18.280 11.573 1.00 27.59 A N\nATOM 1437 CA ALA A 882 32.274 16.941 11.583 1.00 23.42 A C\nATOM 1438 C ALA A 882 33.701 17.054 11.025 1.00 26.24 A C\nATOM 1439 O ALA A 882 33.983 17.914 10.193 1.00 25.83 A O\nATOM 1440 CB ALA A 882 31.483 15.966 10.710 1.00 21.36 A C\nATOM 1441 N LEU A 883 34.575 16.153 11.432 1.00 29.23 A N\nATOM 1442 CA LEU A 883 35.973 16.210 10.953 1.00 30.11 A C\nATOM 1443 C LEU A 883 36.095 16.155 9.415 1.00 31.93 A C\nATOM 1444 O LEU A 883 36.886 16.913 8.820 1.00 28.83 A O\nATOM 1445 CB LEU A 883 36.804 15.101 11.603 1.00 29.10 A C\nATOM 1446 CG LEU A 883 38.327 15.214 11.398 1.00 28.93 A C\nATOM 1447 CD1 LEU A 883 38.797 16.632 11.665 1.00 33.97 A C\nATOM 1448 CD2 LEU A 883 39.017 14.211 12.293 1.00 29.31 A C\nATOM 1449 N GLU A 884 35.311 15.288 8.761 1.00 21.95 A N\nATOM 1450 CA GLU A 884 35.344 15.209 7.296 1.00 22.92 A C\nATOM 1451 C GLU A 884 34.876 16.508 6.591 1.00 26.17 A C\nATOM 1452 O GLU A 884 35.268 16.778 5.447 1.00 24.35 A O\nATOM 1453 CB GLU A 884 34.646 13.943 6.753 1.00 26.86 A C\nATOM 1454 CG GLU A 884 33.105 13.951 6.895 1.00 27.94 A C\nATOM 1455 CD GLU A 884 32.564 13.567 8.273 1.00 29.05 A C\nATOM 1456 OE1 GLU A 884 33.301 13.408 9.265 1.00 25.06 A O\nATOM 1457 OE2 GLU A 884 31.319 13.447 8.409 1.00 23.90 A O\nATOM 1458 N SER A 885 34.033 17.294 7.263 1.00 30.81 A N\nATOM 1459 CA SER A 885 33.587 18.585 6.721 1.00 25.73 A C\nATOM 1460 C SER A 885 34.723 19.608 6.802 1.00 27.51 A C\nATOM 1461 O SER A 885 34.939 20.392 5.877 1.00 29.16 A O\nATOM 1462 CB SER A 885 32.382 19.102 7.520 1.00 26.41 A C\nATOM 1463 OG SER A 885 31.330 18.146 7.461 1.00 29.44 A O\nATOM 1464 N ILE A 886 35.414 19.578 7.929 1.00 25.32 A N\nATOM 1465 CA ILE A 886 36.574 20.454 8.176 1.00 30.05 A C\nATOM 1466 C ILE A 886 37.659 20.144 7.152 1.00 30.18 A C\nATOM 1467 O ILE A 886 38.150 21.055 6.475 1.00 32.84 A O\nATOM 1468 CB ILE A 886 37.110 20.303 9.615 1.00 36.22 A C\nATOM 1469 CG1 ILE A 886 36.049 20.780 10.634 1.00 31.72 A C\nATOM 1470 CG2 ILE A 886 38.400 21.107 9.804 1.00 32.89 A C\nATOM 1471 CD1 ILE A 886 36.393 20.470 12.086 1.00 30.73 A C\nATOM 1472 N LEU A 887 37.993 18.853 6.989 1.00 31.51 A N\nATOM 1473 CA LEU A 887 39.125 18.443 6.148 1.00 34.19 A C\nATOM 1474 C LEU A 887 38.849 18.409 4.655 1.00 36.04 A C\nATOM 1475 O LEU A 887 39.732 18.687 3.891 1.00 26.34 A O\nATOM 1476 CB LEU A 887 39.729 17.097 6.600 1.00 30.53 A C\nATOM 1477 CG LEU A 887 40.150 17.042 8.077 1.00 39.64 A C\nATOM 1478 CD1 LEU A 887 40.469 15.608 8.488 1.00 38.89 A C\nATOM 1479 CD2 LEU A 887 41.336 17.967 8.366 1.00 35.87 A C\nATOM 1480 N HIS A 888 37.628 18.086 4.233 1.00 26.10 A N\nATOM 1481 CA HIS A 888 37.369 17.835 2.818 1.00 24.98 A C\nATOM 1482 C HIS A 888 36.058 18.409 2.302 1.00 28.24 A C\nATOM 1483 O HIS A 888 35.654 18.072 1.186 1.00 27.84 A O\nATOM 1484 CB HIS A 888 37.363 16.319 2.542 1.00 29.19 A C\nATOM 1485 CG HIS A 888 38.705 15.681 2.728 1.00 31.15 A C\nATOM 1486 ND1 HIS A 888 39.739 15.857 1.835 1.00 34.56 A N\nATOM 1487 CD2 HIS A 888 39.188 14.892 3.718 1.00 31.38 A C\nATOM 1488 CE1 HIS A 888 40.807 15.208 2.270 1.00 34.69 A C\nATOM 1489 NE2 HIS A 888 40.496 14.601 3.401 1.00 35.08 A N\nATOM 1490 N ARG A 889 35.422 19.255 3.114 1.00 25.02 A N\nATOM 1491 CA ARG A 889 34.179 19.942 2.731 1.00 32.39 A C\nATOM 1492 C ARG A 889 33.118 18.923 2.370 1.00 26.78 A C\nATOM 1493 O ARG A 889 32.276 19.159 1.484 1.00 29.23 A O\nATOM 1494 CB ARG A 889 34.429 20.930 1.578 1.00 31.37 A C\nATOM 1495 CG ARG A 889 35.516 21.943 1.891 1.00 33.25 A C\nATOM 1496 CD ARG A 889 35.608 22.980 0.779 1.00 39.11 A C\nATOM 1497 NE ARG A 889 36.544 24.044 1.105 1.00 37.65 A N\nATOM 1498 CZ ARG A 889 37.701 24.266 0.468 1.00 46.93 A C\nATOM 1499 NH1 ARG A 889 38.074 23.526 -0.570 1.00 38.03 A N\nATOM 1500 NH2 ARG A 889 38.476 25.267 0.846 1.00 40.00 A N\nATOM 1501 N ILE A 890 33.175 17.774 3.039 1.00 26.13 A N\nATOM 1502 CA ILE A 890 32.145 16.730 2.876 1.00 29.66 A C\nATOM 1503 C ILE A 890 31.018 17.016 3.855 1.00 26.43 A C\nATOM 1504 O ILE A 890 31.245 17.066 5.063 1.00 26.43 A O\nATOM 1505 CB ILE A 890 32.701 15.296 3.144 1.00 29.59 A C\nATOM 1506 CG1 ILE A 890 33.716 14.901 2.071 1.00 34.56 A C\nATOM 1507 CG2 ILE A 890 31.564 14.262 3.147 1.00 26.41 A C\nATOM 1508 CD1 ILE A 890 34.686 13.798 2.502 1.00 27.38 A C\nATOM 1509 N TYR A 891 29.787 17.135 3.328 1.00 27.40 A N\nATOM 1510 CA TYR A 891 28.606 17.370 4.144 1.00 29.79 A C\nATOM 1511 C TYR A 891 27.537 16.381 3.726 1.00 26.49 A C\nATOM 1512 O TYR A 891 27.188 16.314 2.550 1.00 29.21 A O\nATOM 1513 CB TYR A 891 28.046 18.756 3.884 1.00 31.16 A C\nATOM 1514 CG TYR A 891 28.844 19.897 4.436 1.00 32.59 A C\nATOM 1515 CD1 TYR A 891 28.639 20.341 5.751 1.00 30.54 A C\nATOM 1516 CD2 TYR A 891 29.797 20.548 3.648 1.00 32.80 A C\nATOM 1517 CE1 TYR A 891 29.363 21.411 6.254 1.00 37.58 A C\nATOM 1518 CE2 TYR A 891 30.514 21.623 4.141 1.00 34.48 A C\nATOM 1519 CZ TYR A 891 30.291 22.043 5.443 1.00 35.46 A C\nATOM 1520 OH TYR A 891 30.976 23.117 5.945 1.00 42.40 A O\nATOM 1521 N THR A 892 27.092 15.591 4.699 1.00 27.14 A N\nATOM 1522 CA THR A 892 26.052 14.573 4.503 1.00 28.00 A C\nATOM 1523 C THR A 892 25.132 14.670 5.688 1.00 24.99 A C\nATOM 1524 O THR A 892 25.394 15.437 6.647 1.00 24.52 A O\nATOM 1525 CB THR A 892 26.656 13.161 4.529 1.00 24.93 A C\nATOM 1526 OG1 THR A 892 27.152 12.906 5.842 1.00 26.37 A O\nATOM 1527 CG2 THR A 892 27.808 13.012 3.492 1.00 29.56 A C\nATOM 1528 N HIS A 893 24.060 13.868 5.664 1.00 26.44 A N\nATOM 1529 CA HIS A 893 23.230 13.753 6.839 1.00 29.70 A C\nATOM 1530 C HIS A 893 23.987 13.219 8.061 1.00 24.12 A C\nATOM 1531 O HIS A 893 23.680 13.585 9.197 1.00 22.63 A O\nATOM 1532 CB HIS A 893 21.929 12.993 6.484 1.00 25.97 A C\nATOM 1533 CG HIS A 893 21.172 13.679 5.386 1.00 27.52 A C\nATOM 1534 ND1 HIS A 893 20.529 14.883 5.575 1.00 28.59 A N\nATOM 1535 CD2 HIS A 893 21.051 13.390 4.069 1.00 28.83 A C\nATOM 1536 CE1 HIS A 893 20.035 15.299 4.425 1.00 27.39 A C\nATOM 1537 NE2 HIS A 893 20.298 14.394 3.505 1.00 32.49 A N\nATOM 1538 N GLN A 894 25.059 12.470 7.828 1.00 26.66 A N\nATOM 1539 CA GLN A 894 25.919 11.997 8.926 1.00 29.47 A C\nATOM 1540 C GLN A 894 26.906 13.056 9.499 1.00 26.86 A C\nATOM 1541 O GLN A 894 27.298 12.991 10.667 1.00 22.97 A O\nATOM 1542 CB GLN A 894 26.654 10.708 8.491 1.00 27.17 A C\nATOM 1543 CG GLN A 894 25.705 9.525 8.192 1.00 24.91 A C\nATOM 1544 CD GLN A 894 24.783 9.234 9.369 1.00 30.07 A C\nATOM 1545 OE1 GLN A 894 23.581 9.588 9.349 1.00 27.00 A O\nATOM 1546 NE2 GLN A 894 25.334 8.605 10.418 1.00 27.72 A N\nATOM 1547 N SER A 895 27.288 14.034 8.695 1.00 24.14 A N\nATOM 1548 CA SER A 895 27.927 15.211 9.257 1.00 27.27 A C\nATOM 1549 C SER A 895 26.958 16.056 10.075 1.00 27.74 A C\nATOM 1550 O SER A 895 27.372 16.618 11.077 1.00 25.43 A O\nATOM 1551 CB SER A 895 28.699 16.026 8.208 1.00 31.60 A C\nATOM 1552 OG SER A 895 27.862 16.621 7.234 1.00 25.89 A O\nATOM 1553 N ASP A 896 25.672 16.123 9.675 1.00 26.73 A N\nATOM 1554 CA ASP A 896 24.643 16.770 10.518 1.00 24.53 A C\nATOM 1555 C ASP A 896 24.481 16.058 11.860 1.00 20.29 A C\nATOM 1556 O ASP A 896 24.275 16.687 12.887 1.00 22.46 A O\nATOM 1557 CB ASP A 896 23.246 16.817 9.833 1.00 28.43 A C\nATOM 1558 CG ASP A 896 23.121 17.900 8.737 1.00 31.24 A C\nATOM 1559 OD1 ASP A 896 22.115 17.834 7.982 1.00 27.91 A O\nATOM 1560 OD2 ASP A 896 23.997 18.781 8.573 1.00 26.34 A O\nATOM 1561 N VAL A 897 24.598 14.736 11.846 1.00 20.23 A N\nATOM 1562 CA VAL A 897 24.610 13.991 13.102 1.00 19.28 A C\nATOM 1563 C VAL A 897 25.629 14.450 14.120 1.00 25.81 A C\nATOM 1564 O VAL A 897 25.320 14.560 15.295 1.00 22.78 A O\nATOM 1565 CB VAL A 897 24.658 12.448 12.868 1.00 19.54 A C\nATOM 1566 CG1 VAL A 897 24.843 11.704 14.183 1.00 19.88 A C\nATOM 1567 CG2 VAL A 897 23.325 11.945 12.233 1.00 24.43 A C\nATOM 1568 N TRP A 898 26.864 14.693 13.659 1.00 21.20 A N\nATOM 1569 CA TRP A 898 27.927 15.223 14.521 1.00 24.82 A C\nATOM 1570 C TRP A 898 27.505 16.541 15.151 1.00 23.28 A C\nATOM 1571 O TRP A 898 27.615 16.712 16.379 1.00 21.81 A O\nATOM 1572 CB TRP A 898 29.205 15.401 13.666 1.00 22.74 A C\nATOM 1573 CG TRP A 898 30.380 15.970 14.398 1.00 20.42 A C\nATOM 1574 CD1 TRP A 898 30.466 17.185 15.058 1.00 24.29 A C\nATOM 1575 CD2 TRP A 898 31.674 15.336 14.558 1.00 24.05 A C\nATOM 1576 NE1 TRP A 898 31.757 17.336 15.607 1.00 23.39 A N\nATOM 1577 CE2 TRP A 898 32.494 16.220 15.304 1.00 23.70 A C\nATOM 1578 CE3 TRP A 898 32.210 14.127 14.116 1.00 26.61 A C\nATOM 1579 CZ2 TRP A 898 33.837 15.910 15.635 1.00 27.97 A C\nATOM 1580 CZ3 TRP A 898 33.568 13.828 14.425 1.00 27.65 A C\nATOM 1581 CH2 TRP A 898 34.333 14.704 15.185 1.00 26.29 A C\nATOM 1582 N SER A 899 26.971 17.444 14.316 1.00 21.82 A N\nATOM 1583 CA SER A 899 26.558 18.772 14.763 1.00 21.42 A C\nATOM 1584 C SER A 899 25.369 18.645 15.715 1.00 24.08 A C\nATOM 1585 O SER A 899 25.228 19.457 16.652 1.00 23.02 A O\nATOM 1586 CB SER A 899 26.142 19.636 13.571 1.00 22.79 A C\nATOM 1587 OG SER A 899 27.196 19.709 12.622 1.00 29.32 A O\nATOM 1588 N TYR A 900 24.551 17.615 15.484 1.00 24.08 A N\nATOM 1589 CA TYR A 900 23.474 17.266 16.443 1.00 22.45 A C\nATOM 1590 C TYR A 900 24.039 16.904 17.797 1.00 24.83 A C\nATOM 1591 O TYR A 900 23.514 17.330 18.811 1.00 22.80 A O\nATOM 1592 CB TYR A 900 22.565 16.129 15.923 1.00 26.91 A C\nATOM 1593 CG TYR A 900 21.483 15.683 16.918 1.00 24.64 A C\nATOM 1594 CD1 TYR A 900 21.709 14.629 17.818 1.00 24.58 A C\nATOM 1595 CD2 TYR A 900 20.207 16.282 16.921 1.00 29.41 A C\nATOM 1596 CE1 TYR A 900 20.714 14.188 18.692 1.00 30.37 A C\nATOM 1597 CE2 TYR A 900 19.220 15.867 17.813 1.00 25.82 A C\nATOM 1598 CZ TYR A 900 19.472 14.819 18.694 1.00 30.20 A C\nATOM 1599 OH TYR A 900 18.495 14.386 19.571 1.00 29.23 A O\nATOM 1600 N GLY A 901 25.144 16.142 17.822 1.00 25.68 A N\nATOM 1601 CA GLY A 901 25.756 15.748 19.096 1.00 23.98 A C\nATOM 1602 C GLY A 901 26.223 17.007 19.827 1.00 24.33 A C\nATOM 1603 O GLY A 901 26.101 17.084 21.035 1.00 23.86 A O\nATOM 1604 N VAL A 902 26.818 17.960 19.086 1.00 25.05 A N\nATOM 1605 CA VAL A 902 27.315 19.214 19.683 1.00 21.83 A C\nATOM 1606 C VAL A 902 26.114 20.019 20.243 1.00 24.08 A C\nATOM 1607 O VAL A 902 26.152 20.532 21.345 1.00 26.25 A O\nATOM 1608 CB VAL A 902 28.167 20.062 18.704 1.00 24.89 A C\nATOM 1609 CG1 VAL A 902 28.771 21.289 19.420 1.00 26.81 A C\nATOM 1610 CG2 VAL A 902 29.308 19.223 18.111 1.00 22.20 A C\nATOM 1611 N THR A 903 25.058 20.097 19.457 1.00 23.91 A N\nATOM 1612 CA THR A 903 23.826 20.789 19.902 1.00 24.59 A C\nATOM 1613 C THR A 903 23.306 20.220 21.235 1.00 20.47 A C\nATOM 1614 O THR A 903 23.031 20.953 22.193 1.00 23.36 A O\nATOM 1615 CB THR A 903 22.761 20.724 18.787 1.00 22.55 A C\nATOM 1616 OG1 THR A 903 23.273 21.268 17.569 1.00 24.10 A O\nATOM 1617 CG2 THR A 903 21.429 21.492 19.168 1.00 24.23 A C\nATOM 1618 N VAL A 904 23.170 18.901 21.300 1.00 22.65 A N\nATOM 1619 CA VAL A 904 22.729 18.231 22.517 1.00 24.32 A C\nATOM 1620 C VAL A 904 23.639 18.562 23.686 1.00 29.53 A C\nATOM 1621 O VAL A 904 23.174 18.813 24.780 1.00 25.51 A O\nATOM 1622 CB VAL A 904 22.614 16.698 22.303 1.00 26.14 A C\nATOM 1623 CG1 VAL A 904 22.367 15.967 23.621 1.00 32.14 A C\nATOM 1624 CG2 VAL A 904 21.469 16.388 21.352 1.00 29.78 A C\nATOM 1625 N TRP A 905 24.951 18.547 23.442 1.00 25.37 A N\nATOM 1626 CA TRP A 905 25.909 18.952 24.450 1.00 26.02 A C\nATOM 1627 C TRP A 905 25.618 20.397 24.929 1.00 25.24 A C\nATOM 1628 O TRP A 905 25.647 20.692 26.122 1.00 25.58 A O\nATOM 1629 CB TRP A 905 27.344 18.846 23.879 1.00 27.12 A C\nATOM 1630 CG TRP A 905 28.457 19.135 24.901 1.00 29.75 A C\nATOM 1631 CD1 TRP A 905 29.071 18.227 25.727 1.00 29.86 A C\nATOM 1632 CD2 TRP A 905 29.059 20.406 25.194 1.00 29.09 A C\nATOM 1633 NE1 TRP A 905 30.016 18.857 26.518 1.00 27.53 A N\nATOM 1634 CE2 TRP A 905 30.038 20.187 26.202 1.00 31.67 A C\nATOM 1635 CE3 TRP A 905 28.896 21.705 24.680 1.00 29.99 A C\nATOM 1636 CZ2 TRP A 905 30.822 21.226 26.732 1.00 31.76 A C\nATOM 1637 CZ3 TRP A 905 29.670 22.739 25.211 1.00 29.19 A C\nATOM 1638 CH2 TRP A 905 30.632 22.487 26.218 1.00 31.16 A C\nATOM 1639 N GLU A 906 25.375 21.300 23.992 1.00 23.57 A N\nATOM 1640 CA GLU A 906 25.081 22.673 24.361 1.00 26.68 A C\nATOM 1641 C GLU A 906 23.849 22.707 25.272 1.00 29.46 A C\nATOM 1642 O GLU A 906 23.811 23.439 26.244 1.00 30.72 A O\nATOM 1643 CB GLU A 906 24.731 23.494 23.126 1.00 29.21 A C\nATOM 1644 CG GLU A 906 25.885 23.793 22.205 1.00 26.76 A C\nATOM 1645 CD GLU A 906 25.419 24.646 21.045 1.00 26.29 A C\nATOM 1646 OE1 GLU A 906 25.522 25.884 21.177 1.00 28.98 A O\nATOM 1647 OE2 GLU A 906 24.934 24.103 20.035 1.00 28.76 A O\nATOM 1648 N LEU A 907 22.852 21.897 24.946 1.00 28.88 A N\nATOM 1649 CA LEU A 907 21.629 21.859 25.737 1.00 31.17 A C\nATOM 1650 C LEU A 907 21.876 21.375 27.176 1.00 30.41 A C\nATOM 1651 O LEU A 907 21.476 22.031 28.157 1.00 31.35 A O\nATOM 1652 CB LEU A 907 20.588 20.965 25.036 1.00 30.07 A C\nATOM 1653 CG LEU A 907 20.073 21.493 23.692 1.00 29.46 A C\nATOM 1654 CD1 LEU A 907 18.881 20.670 23.250 1.00 32.66 A C\nATOM 1655 CD2 LEU A 907 19.698 22.976 23.760 1.00 30.38 A C\nATOM 1656 N MET A 908 22.572 20.248 27.280 1.00 33.26 A N\nATOM 1657 CA MET A 908 22.815 19.567 28.555 1.00 33.03 A C\nATOM 1658 C MET A 908 23.776 20.319 29.480 1.00 33.19 A C\nATOM 1659 O MET A 908 23.833 20.034 30.667 1.00 32.50 A O\nATOM 1660 CB MET A 908 23.378 18.162 28.308 1.00 29.57 A C\nATOM 1661 CG MET A 908 22.499 17.227 27.502 1.00 31.43 A C\nATOM 1662 SD MET A 908 20.915 16.950 28.305 1.00 38.14 A S\nATOM 1663 CE MET A 908 19.955 16.171 26.994 1.00 35.57 A C\nATOM 1664 N THR A 909 24.529 21.266 28.926 1.00 34.84 A N\nATOM 1665 CA THR A 909 25.422 22.110 29.715 1.00 31.46 A C\nATOM 1666 C THR A 909 24.758 23.462 29.973 1.00 35.43 A C\nATOM 1667 O THR A 909 25.369 24.375 30.533 1.00 33.37 A O\nATOM 1668 CB THR A 909 26.755 22.383 28.990 1.00 30.17 A C\nATOM 1669 OG1 THR A 909 26.503 23.074 27.759 1.00 32.39 A O\nATOM 1670 CG2 THR A 909 27.548 21.085 28.733 1.00 34.41 A C\nATOM 1671 N PHE A 910 23.507 23.580 29.542 1.00 32.72 A N\nATOM 1672 CA PHE A 910 22.753 24.834 29.661 1.00 39.49 A C\nATOM 1673 C PHE A 910 23.452 25.975 28.916 1.00 37.32 A C\nATOM 1674 O PHE A 910 23.512 27.121 29.379 1.00 34.56 A O\nATOM 1675 CB PHE A 910 22.465 25.145 31.144 1.00 38.60 A C\nATOM 1676 CG PHE A 910 21.737 24.031 31.852 1.00 35.82 A C\nATOM 1677 CD1 PHE A 910 20.360 23.874 31.695 1.00 42.92 A C\nATOM 1678 CD2 PHE A 910 22.424 23.129 32.671 1.00 39.39 A C\nATOM 1679 CE1 PHE A 910 19.684 22.843 32.335 1.00 38.58 A C\nATOM 1680 CE2 PHE A 910 21.751 22.095 33.320 1.00 38.85 A C\nATOM 1681 CZ PHE A 910 20.377 21.960 33.156 1.00 39.25 A C\nATOM 1682 N GLY A 911 23.972 25.646 27.741 1.00 30.24 A N\nATOM 1683 CA GLY A 911 24.480 26.659 26.818 1.00 30.44 A C\nATOM 1684 C GLY A 911 25.938 27.038 26.976 1.00 31.34 A C\nATOM 1685 O GLY A 911 26.322 28.160 26.631 1.00 31.20 A O\nATOM 1686 N SER A 912 26.761 26.109 27.461 1.00 34.43 A N\nATOM 1687 CA SER A 912 28.216 26.310 27.408 1.00 32.44 A C\nATOM 1688 C SER A 912 28.744 26.398 25.977 1.00 30.35 A C\nATOM 1689 O SER A 912 28.186 25.815 25.051 1.00 29.13 A O\nATOM 1690 CB SER A 912 28.963 25.201 28.160 1.00 37.09 A C\nATOM 1691 OG SER A 912 28.615 25.224 29.524 1.00 37.39 A O\nATOM 1692 N LYS A 913 29.864 27.105 25.822 1.00 34.33 A N\nATOM 1693 CA LYS A 913 30.544 27.258 24.535 1.00 36.05 A C\nATOM 1694 C LYS A 913 31.469 26.073 24.282 1.00 36.45 A C\nATOM 1695 O LYS A 913 32.367 25.819 25.085 1.00 32.75 A O\nATOM 1696 CB LYS A 913 31.374 28.541 24.538 1.00 37.89 A C\nATOM 1697 CG LYS A 913 30.549 29.809 24.490 1.00 41.62 A C\nATOM 1698 CD LYS A 913 31.439 31.046 24.591 1.00 54.77 A C\nATOM 1699 CE LYS A 913 32.281 31.258 23.338 1.00 63.20 A C\nATOM 1700 NZ LYS A 913 33.156 32.457 23.448 1.00 79.59 A N\nATOM 1701 N PRO A 914 31.254 25.337 23.175 1.00 34.16 A N\nATOM 1702 CA PRO A 914 32.058 24.118 22.968 1.00 29.10 A C\nATOM 1703 C PRO A 914 33.536 24.481 22.719 1.00 34.77 A C\nATOM 1704 O PRO A 914 33.814 25.439 21.996 1.00 33.33 A O\nATOM 1705 CB PRO A 914 31.411 23.481 21.733 1.00 33.91 A C\nATOM 1706 CG PRO A 914 30.778 24.614 21.005 1.00 34.78 A C\nATOM 1707 CD PRO A 914 30.298 25.560 22.076 1.00 32.97 A C\nATOM 1708 N TYR A 915 34.458 23.737 23.325 1.00 33.25 A N\nATOM 1709 CA TYR A 915 35.895 23.998 23.177 1.00 33.85 A C\nATOM 1710 C TYR A 915 36.207 25.471 23.468 1.00 39.64 A C\nATOM 1711 O TYR A 915 36.948 26.117 22.718 1.00 45.53 A O\nATOM 1712 CB TYR A 915 36.364 23.665 21.764 1.00 33.52 A C\nATOM 1713 CG TYR A 915 35.818 22.388 21.190 1.00 29.32 A C\nATOM 1714 CD1 TYR A 915 36.385 21.162 21.511 1.00 32.58 A C\nATOM 1715 CD2 TYR A 915 34.742 22.417 20.307 1.00 36.08 A C\nATOM 1716 CE1 TYR A 915 35.888 19.981 20.977 1.00 33.76 A C\nATOM 1717 CE2 TYR A 915 34.231 21.250 19.767 1.00 31.31 A C\nATOM 1718 CZ TYR A 915 34.802 20.038 20.107 1.00 30.34 A C\nATOM 1719 OH TYR A 915 34.315 18.876 19.539 1.00 36.05 A O\nATOM 1720 N ASP A 916 35.618 25.991 24.543 1.00 43.33 A N\nATOM 1721 CA ASP A 916 35.768 27.396 24.940 1.00 48.23 A C\nATOM 1722 C ASP A 916 37.254 27.719 25.124 1.00 48.30 A C\nATOM 1723 O ASP A 916 37.983 26.961 25.774 1.00 46.71 A O\nATOM 1724 CB ASP A 916 34.988 27.650 26.242 1.00 52.14 A C\nATOM 1725 CG ASP A 916 34.922 29.136 26.628 1.00 54.58 A C\nATOM 1726 OD1 ASP A 916 34.708 29.421 27.821 1.00 60.52 A O\nATOM 1727 OD2 ASP A 916 35.064 30.008 25.751 1.00 47.27 A O\nATOM 1728 N GLY A 917 37.697 28.813 24.511 1.00 56.46 A N\nATOM 1729 CA GLY A 917 39.085 29.258 24.635 1.00 76.19 A C\nATOM 1730 C GLY A 917 40.035 28.671 23.604 1.00 72.63 A C\nATOM 1731 O GLY A 917 41.021 29.316 23.238 1.00 63.76 A O\nATOM 1732 N ILE A 918 39.738 27.452 23.143 1.00 63.90 A N\nATOM 1733 CA ILE A 918 40.529 26.764 22.114 1.00 49.40 A C\nATOM 1734 C ILE A 918 40.345 27.411 20.732 1.00 55.67 A C\nATOM 1735 O ILE A 918 39.215 27.569 20.259 1.00 53.67 A O\nATOM 1736 CB ILE A 918 40.247 25.246 22.089 1.00 58.39 A C\nATOM 1737 CG1 ILE A 918 40.788 24.592 23.362 1.00 67.71 A C\nATOM 1738 CG2 ILE A 918 40.855 24.585 20.856 1.00 49.74 A C\nATOM 1739 CD1 ILE A 918 40.277 23.185 23.600 1.00 83.95 A C\nATOM 1740 N PRO A 919 41.465 27.809 20.091 1.00 55.34 A N\nATOM 1741 CA PRO A 919 41.367 28.478 18.797 1.00 51.65 A C\nATOM 1742 C PRO A 919 40.839 27.524 17.737 1.00 46.00 A C\nATOM 1743 O PRO A 919 41.228 26.335 17.700 1.00 36.86 A O\nATOM 1744 CB PRO A 919 42.817 28.854 18.466 1.00 48.91 A C\nATOM 1745 CG PRO A 919 43.602 28.650 19.726 1.00 59.54 A C\nATOM 1746 CD PRO A 919 42.867 27.590 20.494 1.00 61.20 A C\nATOM 1747 N ALA A 920 39.982 28.055 16.877 1.00 42.96 A N\nATOM 1748 CA ALA A 920 39.380 27.267 15.795 1.00 53.07 A C\nATOM 1749 C ALA A 920 40.428 26.554 14.926 1.00 52.49 A C\nATOM 1750 O ALA A 920 40.200 25.430 14.477 1.00 39.45 A O\nATOM 1751 CB ALA A 920 38.482 28.136 14.939 1.00 41.74 A C\nATOM 1752 N SER A 921 41.578 27.191 14.706 1.00 42.14 A N\nATOM 1753 CA SER A 921 42.638 26.564 13.918 1.00 38.91 A C\nATOM 1754 C SER A 921 43.218 25.280 14.535 1.00 41.47 A C\nATOM 1755 O SER A 921 43.852 24.491 13.834 1.00 45.17 A O\nATOM 1756 CB SER A 921 43.758 27.580 13.611 1.00 43.76 A C\nATOM 1757 OG SER A 921 44.498 27.894 14.783 1.00 45.49 A O\nATOM 1758 N GLU A 922 42.994 25.066 15.832 1.00 38.81 A N\nATOM 1759 CA GLU A 922 43.508 23.877 16.524 1.00 37.90 A C\nATOM 1760 C GLU A 922 42.483 22.741 16.610 1.00 32.89 A C\nATOM 1761 O GLU A 922 42.824 21.636 17.051 1.00 37.01 A O\nATOM 1762 CB GLU A 922 43.996 24.218 17.938 1.00 43.95 A C\nATOM 1763 CG GLU A 922 45.241 25.107 17.988 1.00 58.60 A C\nATOM 1764 CD GLU A 922 46.562 24.340 17.959 1.00 74.68 A C\nATOM 1765 OE1 GLU A 922 47.536 24.836 18.567 1.00 92.16 A O\nATOM 1766 OE2 GLU A 922 46.653 23.253 17.338 1.00 65.14 A O\nATOM 1767 N ILE A 923 41.253 22.998 16.186 1.00 36.85 A N\nATOM 1768 CA ILE A 923 40.183 21.993 16.380 1.00 30.58 A C\nATOM 1769 C ILE A 923 40.420 20.666 15.649 1.00 27.72 A C\nATOM 1770 O ILE A 923 40.283 19.600 16.258 1.00 32.41 A O\nATOM 1771 CB ILE A 923 38.766 22.575 16.099 1.00 36.31 A C\nATOM 1772 CG1 ILE A 923 38.369 23.629 17.159 1.00 35.07 A C\nATOM 1773 CG2 ILE A 923 37.725 21.455 16.020 1.00 31.73 A C\nATOM 1774 CD1 ILE A 923 38.250 23.123 18.592 1.00 32.22 A C\nATOM 1775 N SER A 924 40.756 20.704 14.355 1.00 28.13 A N\nATOM 1776 CA SER A 924 41.002 19.463 13.633 1.00 35.63 A C\nATOM 1777 C SER A 924 42.110 18.610 14.291 1.00 34.96 A C\nATOM 1778 O SER A 924 41.992 17.378 14.352 1.00 29.18 A O\nATOM 1779 CB SER A 924 41.305 19.725 12.150 1.00 39.13 A C\nATOM 1780 OG SER A 924 42.613 20.267 11.983 1.00 41.55 A O\nATOM 1781 N SER A 925 43.194 19.226 14.792 1.00 38.53 A N\nATOM 1782 CA SER A 925 44.236 18.385 15.393 1.00 37.45 A C\nATOM 1783 C SER A 925 43.771 17.767 16.716 1.00 35.21 A C\nATOM 1784 O SER A 925 44.032 16.602 16.994 1.00 33.66 A O\nATOM 1785 CB SER A 925 45.579 19.125 15.558 1.00 47.26 A C\nATOM 1786 OG SER A 925 45.435 20.233 16.416 1.00 54.50 A O\nATOM 1787 N ILE A 926 43.029 18.547 17.497 1.00 35.17 A N\nATOM 1788 CA ILE A 926 42.404 18.065 18.728 1.00 40.33 A C\nATOM 1789 C ILE A 926 41.474 16.855 18.453 1.00 34.53 A C\nATOM 1790 O ILE A 926 41.637 15.787 19.056 1.00 32.95 A O\nATOM 1791 CB ILE A 926 41.718 19.262 19.443 1.00 44.79 A C\nATOM 1792 CG1 ILE A 926 42.727 19.924 20.400 1.00 48.92 A C\nATOM 1793 CG2 ILE A 926 40.399 18.888 20.114 1.00 51.95 A C\nATOM 1794 CD1 ILE A 926 42.280 21.255 20.973 1.00 61.81 A C\nATOM 1795 N LEU A 927 40.532 17.007 17.520 1.00 37.12 A N\nATOM 1796 CA LEU A 927 39.655 15.893 17.106 1.00 32.43 A C\nATOM 1797 C LEU A 927 40.412 14.654 16.605 1.00 30.80 A C\nATOM 1798 O LEU A 927 40.043 13.515 16.922 1.00 31.95 A O\nATOM 1799 CB LEU A 927 38.673 16.349 16.012 1.00 30.99 A C\nATOM 1800 CG LEU A 927 37.709 17.440 16.463 1.00 32.53 A C\nATOM 1801 CD1 LEU A 927 36.815 17.889 15.312 1.00 33.89 A C\nATOM 1802 CD2 LEU A 927 36.891 16.918 17.625 1.00 30.69 A C\nATOM 1803 N GLU A 928 41.450 14.888 15.810 1.00 37.01 A N\nATOM 1804 CA GLU A 928 42.284 13.804 15.268 1.00 39.13 A C\nATOM 1805 C GLU A 928 43.002 13.019 16.360 1.00 41.39 A C\nATOM 1806 O GLU A 928 43.225 11.816 16.209 1.00 38.80 A O\nATOM 1807 CB GLU A 928 43.307 14.339 14.255 1.00 40.49 A C\nATOM 1808 CG GLU A 928 42.754 14.636 12.870 1.00 44.84 A C\nATOM 1809 CD GLU A 928 43.660 15.532 12.036 1.00 69.64 A C\nATOM 1810 OE1 GLU A 928 43.599 15.442 10.790 1.00 74.90 A O\nATOM 1811 OE2 GLU A 928 44.432 16.332 12.616 1.00 62.95 A O\nATOM 1812 N LYS A 929 43.370 13.694 17.448 1.00 40.90 A N\nATOM 1813 CA LYS A 929 44.002 13.020 18.591 1.00 41.80 A C\nATOM 1814 C LYS A 929 43.006 12.231 19.453 1.00 46.80 A C\nATOM 1815 O LYS A 929 43.398 11.536 20.394 1.00 44.25 A O\nATOM 1816 CB LYS A 929 44.758 14.025 19.459 1.00 50.08 A C\nATOM 1817 CG LYS A 929 45.966 14.663 18.770 1.00 40.31 A C\nATOM 1818 CD LYS A 929 46.644 15.696 19.666 1.00 67.33 A C\nATOM 1819 CE LYS A 929 47.436 15.043 20.796 1.00 79.96 A C\nATOM 1820 NZ LYS A 929 48.135 16.035 21.664 1.00 77.70 A N\nATOM 1821 N GLY A 930 41.721 12.345 19.125 1.00 37.47 A N\nATOM 1822 CA GLY A 930 40.652 11.633 19.840 1.00 39.43 A C\nATOM 1823 C GLY A 930 39.970 12.436 20.930 1.00 38.99 A C\nATOM 1824 O GLY A 930 39.110 11.903 21.646 1.00 41.30 A O\nATOM 1825 N GLU A 931 40.330 13.714 21.069 1.00 32.16 A N\nATOM 1826 CA GLU A 931 39.759 14.534 22.132 1.00 32.85 A C\nATOM 1827 C GLU A 931 38.329 14.954 21.745 1.00 28.27 A C\nATOM 1828 O GLU A 931 38.075 15.227 20.573 1.00 28.77 A O\nATOM 1829 CB GLU A 931 40.603 15.762 22.393 1.00 36.69 A C\nATOM 1830 CG GLU A 931 40.082 16.662 23.503 1.00 49.53 A C\nATOM 1831 CD GLU A 931 41.036 17.806 23.818 1.00 69.08 A C\nATOM 1832 OE1 GLU A 931 42.249 17.685 23.508 1.00 53.32 A O\nATOM 1833 OE2 GLU A 931 40.568 18.828 24.374 1.00 53.97 A O\nATOM 1834 N ARG A 932 37.436 14.994 22.732 1.00 32.01 A N\nATOM 1835 CA ARG A 932 35.995 15.304 22.490 1.00 28.11 A C\nATOM 1836 C ARG A 932 35.471 16.272 23.565 1.00 32.94 A C\nATOM 1837 O ARG A 932 36.145 16.500 24.574 1.00 32.49 A O\nATOM 1838 CB ARG A 932 35.184 14.002 22.501 1.00 26.86 A C\nATOM 1839 CG ARG A 932 35.365 13.048 21.316 1.00 27.27 A C\nATOM 1840 CD ARG A 932 35.153 13.715 19.958 1.00 27.89 A C\nATOM 1841 NE ARG A 932 35.303 12.791 18.844 1.00 28.64 A N\nATOM 1842 CZ ARG A 932 36.449 12.531 18.213 1.00 43.88 A C\nATOM 1843 NH1 ARG A 932 36.458 11.657 17.217 1.00 36.00 A N\nATOM 1844 NH2 ARG A 932 37.584 13.133 18.580 1.00 28.88 A N\nATOM 1845 N LEU A 933 34.284 16.855 23.361 1.00 28.49 A N\nATOM 1846 CA LEU A 933 33.643 17.646 24.416 1.00 26.44 A C\nATOM 1847 C LEU A 933 33.400 16.752 25.622 1.00 27.19 A C\nATOM 1848 O LEU A 933 33.077 15.575 25.443 1.00 32.58 A O\nATOM 1849 CB LEU A 933 32.311 18.241 23.907 1.00 29.48 A C\nATOM 1850 CG LEU A 933 32.510 19.274 22.790 1.00 28.80 A C\nATOM 1851 CD1 LEU A 933 31.191 19.477 22.015 1.00 25.49 A C\nATOM 1852 CD2 LEU A 933 33.058 20.587 23.368 1.00 24.54 A C\nATOM 1853 N PRO A 934 33.563 17.290 26.848 1.00 29.32 A N\nATOM 1854 CA PRO A 934 33.465 16.519 28.091 1.00 31.42 A C\nATOM 1855 C PRO A 934 32.034 16.165 28.451 1.00 31.97 A C\nATOM 1856 O PRO A 934 31.093 16.860 28.022 1.00 30.19 A O\nATOM 1857 CB PRO A 934 34.021 17.485 29.144 1.00 39.73 A C\nATOM 1858 CG PRO A 934 33.717 18.844 28.599 1.00 38.13 A C\nATOM 1859 CD PRO A 934 33.907 18.703 27.109 1.00 35.28 A C\nATOM 1860 N GLN A 935 31.885 15.115 29.245 1.00 30.53 A N\nATOM 1861 CA GLN A 935 30.573 14.712 29.766 1.00 29.08 A C\nATOM 1862 C GLN A 935 29.934 15.848 30.576 1.00 32.66 A C\nATOM 1863 O GLN A 935 30.528 16.340 31.528 1.00 36.94 A O\nATOM 1864 CB GLN A 935 30.703 13.453 30.638 1.00 32.68 A C\nATOM 1865 CG GLN A 935 29.388 13.003 31.278 1.00 37.61 A C\nATOM 1866 CD GLN A 935 29.522 11.707 32.068 1.00 41.28 A C\nATOM 1867 OE1 GLN A 935 30.577 11.088 32.077 1.00 38.24 A O\nATOM 1868 NE2 GLN A 935 28.447 11.306 32.755 1.00 34.59 A N\nATOM 1869 N PRO A 936 28.713 16.273 30.190 1.00 36.45 A N\nATOM 1870 CA PRO A 936 28.008 17.267 31.005 1.00 39.54 A C\nATOM 1871 C PRO A 936 27.664 16.677 32.377 1.00 36.69 A C\nATOM 1872 O PRO A 936 27.317 15.497 32.453 1.00 35.68 A O\nATOM 1873 CB PRO A 936 26.741 17.562 30.181 1.00 34.20 A C\nATOM 1874 CG PRO A 936 27.131 17.223 28.774 1.00 32.85 A C\nATOM 1875 CD PRO A 936 27.993 15.990 28.938 1.00 36.06 A C\nATOM 1876 N PRO A 937 27.830 17.472 33.457 1.00 38.32 A N\nATOM 1877 CA PRO A 937 27.599 17.015 34.833 1.00 40.21 A C\nATOM 1878 C PRO A 937 26.233 16.386 35.062 1.00 40.46 A C\nATOM 1879 O PRO A 937 26.126 15.433 35.842 1.00 37.59 A O\nATOM 1880 CB PRO A 937 27.741 18.296 35.655 1.00 46.41 A C\nATOM 1881 CG PRO A 937 28.715 19.118 34.886 1.00 46.70 A C\nATOM 1882 CD PRO A 937 28.506 18.788 33.426 1.00 39.47 A C\nATOM 1883 N ILE A 938 25.204 16.876 34.374 1.00 34.10 A N\nATOM 1884 CA ILE A 938 23.855 16.329 34.558 1.00 37.91 A C\nATOM 1885 C ILE A 938 23.631 14.986 33.839 1.00 37.49 A C\nATOM 1886 O ILE A 938 22.660 14.289 34.126 1.00 41.11 A O\nATOM 1887 CB ILE A 938 22.731 17.329 34.163 1.00 33.35 A C\nATOM 1888 CG1 ILE A 938 22.714 17.586 32.640 1.00 35.59 A C\nATOM 1889 CG2 ILE A 938 22.828 18.633 34.966 1.00 36.27 A C\nATOM 1890 CD1 ILE A 938 21.420 18.224 32.136 1.00 34.32 A C\nATOM 1891 N CYS A 939 24.516 14.620 32.915 1.00 34.04 A N\nATOM 1892 CA CYS A 939 24.244 13.437 32.081 1.00 31.20 A C\nATOM 1893 C CYS A 939 24.743 12.159 32.706 1.00 36.53 A C\nATOM 1894 O CYS A 939 25.908 12.071 33.106 1.00 31.88 A O\nATOM 1895 CB CYS A 939 24.905 13.551 30.709 1.00 32.11 A C\nATOM 1896 SG CYS A 939 24.327 14.888 29.665 1.00 37.25 A S\nATOM 1897 N THR A 940 23.891 11.141 32.747 1.00 32.45 A N\nATOM 1898 CA THR A 940 24.426 9.802 32.980 1.00 35.97 A C\nATOM 1899 C THR A 940 25.287 9.401 31.793 1.00 34.97 A C\nATOM 1900 O THR A 940 25.203 10.005 30.717 1.00 33.70 A O\nATOM 1901 CB THR A 940 23.305 8.757 33.128 1.00 35.72 A C\nATOM 1902 OG1 THR A 940 22.500 8.763 31.945 1.00 39.68 A O\nATOM 1903 CG2 THR A 940 22.449 9.071 34.363 1.00 40.81 A C\nATOM 1904 N ILE A 941 26.085 8.351 31.966 1.00 33.98 A N\nATOM 1905 CA ILE A 941 26.923 7.835 30.883 1.00 36.66 A C\nATOM 1906 C ILE A 941 26.138 7.370 29.646 1.00 29.75 A C\nATOM 1907 O ILE A 941 26.623 7.493 28.531 1.00 33.08 A O\nATOM 1908 CB ILE A 941 27.930 6.758 31.391 1.00 41.29 A C\nATOM 1909 CG1 ILE A 941 29.080 6.560 30.399 1.00 41.07 A C\nATOM 1910 CG2 ILE A 941 27.233 5.445 31.720 1.00 36.91 A C\nATOM 1911 CD1 ILE A 941 30.126 7.650 30.441 1.00 44.87 A C\nATOM 1912 N ASP A 942 24.925 6.850 29.840 1.00 35.62 A N\nATOM 1913 CA ASP A 942 24.058 6.438 28.727 1.00 35.94 A C\nATOM 1914 C ASP A 942 23.799 7.600 27.757 1.00 33.14 A C\nATOM 1915 O ASP A 942 23.804 7.423 26.529 1.00 31.94 A O\nATOM 1916 CB ASP A 942 22.716 5.941 29.274 1.00 34.61 A C\nATOM 1917 CG ASP A 942 22.882 4.975 30.427 1.00 57.33 A C\nATOM 1918 OD1 ASP A 942 22.854 3.759 30.156 1.00 55.48 A O\nATOM 1919 OD2 ASP A 942 23.075 5.431 31.589 1.00 61.31 A O\nATOM 1920 N VAL A 943 23.575 8.782 28.316 1.00 31.75 A N\nATOM 1921 CA VAL A 943 23.296 9.965 27.488 1.00 32.99 A C\nATOM 1922 C VAL A 943 24.574 10.469 26.835 1.00 32.91 A C\nATOM 1923 O VAL A 943 24.594 10.757 25.638 1.00 30.24 A O\nATOM 1924 CB VAL A 943 22.603 11.095 28.278 1.00 38.37 A C\nATOM 1925 CG1 VAL A 943 22.510 12.373 27.438 1.00 34.73 A C\nATOM 1926 CG2 VAL A 943 21.217 10.649 28.705 1.00 36.83 A C\nATOM 1927 N TYR A 944 25.647 10.557 27.612 1.00 32.14 A N\nATOM 1928 CA TYR A 944 26.927 10.980 27.042 1.00 31.45 A C\nATOM 1929 C TYR A 944 27.404 10.020 25.942 1.00 29.66 A C\nATOM 1930 O TYR A 944 27.973 10.463 24.949 1.00 30.29 A O\nATOM 1931 CB TYR A 944 27.964 11.172 28.146 1.00 31.25 A C\nATOM 1932 CG TYR A 944 29.292 11.716 27.677 1.00 33.16 A C\nATOM 1933 CD1 TYR A 944 30.480 11.078 28.026 1.00 38.27 A C\nATOM 1934 CD2 TYR A 944 29.363 12.874 26.876 1.00 30.07 A C\nATOM 1935 CE1 TYR A 944 31.701 11.576 27.611 1.00 34.59 A C\nATOM 1936 CE2 TYR A 944 30.586 13.381 26.456 1.00 30.25 A C\nATOM 1937 CZ TYR A 944 31.740 12.734 26.829 1.00 33.30 A C\nATOM 1938 OH TYR A 944 32.946 13.214 26.403 1.00 32.21 A O\nATOM 1939 N MET A 945 27.179 8.710 26.113 1.00 28.39 A N\nATOM 1940 CA MET A 945 27.573 7.751 25.079 1.00 31.97 A C\nATOM 1941 C MET A 945 26.931 8.061 23.738 1.00 36.65 A C\nATOM 1942 O MET A 945 27.522 7.845 22.690 1.00 28.47 A O\nATOM 1943 CB MET A 945 27.202 6.316 25.454 1.00 38.25 A C\nATOM 1944 CG MET A 945 28.192 5.594 26.346 1.00 55.75 A C\nATOM 1945 SD MET A 945 29.792 5.350 25.555 1.00 67.50 A S\nATOM 1946 CE MET A 945 30.653 6.763 26.204 1.00 33.80 A C\nATOM 1947 N ILE A 946 25.689 8.529 23.763 1.00 30.37 A N\nATOM 1948 CA ILE A 946 25.062 8.912 22.527 1.00 31.60 A C\nATOM 1949 C ILE A 946 25.826 10.040 21.849 1.00 24.60 A C\nATOM 1950 O ILE A 946 26.081 9.958 20.654 1.00 26.88 A O\nATOM 1951 CB ILE A 946 23.604 9.359 22.747 1.00 34.97 A C\nATOM 1952 CG1 ILE A 946 22.796 8.227 23.371 1.00 41.69 A C\nATOM 1953 CG2 ILE A 946 22.984 9.808 21.430 1.00 36.80 A C\nATOM 1954 CD1 ILE A 946 21.374 8.639 23.700 1.00 41.79 A C\nATOM 1955 N MET A 947 26.132 11.097 22.606 1.00 24.86 A N\nATOM 1956 CA MET A 947 26.870 12.239 22.100 1.00 30.27 A C\nATOM 1957 C MET A 947 28.209 11.750 21.532 1.00 28.44 A C\nATOM 1958 O MET A 947 28.639 12.157 20.443 1.00 29.20 A O\nATOM 1959 CB MET A 947 27.147 13.237 23.233 1.00 31.12 A C\nATOM 1960 CG MET A 947 26.092 14.323 23.437 1.00 37.09 A C\nATOM 1961 SD MET A 947 26.416 15.215 24.976 1.00 41.55 A S\nATOM 1962 CE MET A 947 25.321 14.328 26.057 1.00 38.59 A C\nATOM 1963 N VAL A 948 28.856 10.867 22.284 1.00 27.85 A N\nATOM 1964 CA VAL A 948 30.157 10.315 21.867 1.00 28.13 A C\nATOM 1965 C VAL A 948 30.089 9.557 20.548 1.00 25.79 A C\nATOM 1966 O VAL A 948 30.941 9.740 19.686 1.00 26.90 A O\nATOM 1967 CB VAL A 948 30.817 9.463 22.997 1.00 35.26 A C\nATOM 1968 CG1 VAL A 948 32.037 8.701 22.473 1.00 32.02 A C\nATOM 1969 CG2 VAL A 948 31.236 10.376 24.148 1.00 32.56 A C\nATOM 1970 N LYS A 949 29.031 8.755 20.361 1.00 27.83 A N\nATOM 1971 CA LYS A 949 28.774 8.081 19.101 1.00 27.08 A C\nATOM 1972 C LYS A 949 28.585 9.047 17.933 1.00 25.07 A C\nATOM 1973 O LYS A 949 29.025 8.744 16.823 1.00 24.22 A O\nATOM 1974 CB LYS A 949 27.539 7.151 19.198 1.00 30.67 A C\nATOM 1975 CG LYS A 949 27.699 5.954 20.116 1.00 50.64 A C\nATOM 1976 CD LYS A 949 26.468 5.062 20.040 1.00 51.67 A C\nATOM 1977 CE LYS A 949 26.423 4.044 21.167 1.00 82.77 A C\nATOM 1978 NZ LYS A 949 25.147 3.272 21.132 1.00 91.62 A N\nATOM 1979 N CYS A 950 27.916 10.191 18.177 1.00 25.41 A N\nATOM 1980 CA CYS A 950 27.705 11.180 17.129 1.00 19.95 A C\nATOM 1981 C CYS A 950 29.041 11.770 16.638 1.00 23.74 A C\nATOM 1982 O CYS A 950 29.101 12.339 15.565 1.00 25.93 A O\nATOM 1983 CB CYS A 950 26.879 12.333 17.670 1.00 19.18 A C\nATOM 1984 SG CYS A 950 25.132 11.865 17.902 1.00 27.36 A S\nATOM 1985 N TRP A 951 30.088 11.654 17.440 1.00 26.52 A N\nATOM 1986 CA TRP A 951 31.397 12.217 17.056 1.00 25.40 A C\nATOM 1987 C TRP A 951 32.490 11.223 16.667 1.00 26.10 A C\nATOM 1988 O TRP A 951 33.711 11.543 16.678 1.00 28.21 A O\nATOM 1989 CB TRP A 951 31.924 13.148 18.145 1.00 29.36 A C\nATOM 1990 CG TRP A 951 30.945 14.182 18.676 1.00 26.70 A C\nATOM 1991 CD1 TRP A 951 30.089 14.983 17.956 1.00 24.99 A C\nATOM 1992 CD2 TRP A 951 30.788 14.550 20.045 1.00 27.29 A C\nATOM 1993 NE1 TRP A 951 29.440 15.834 18.802 1.00 24.81 A N\nATOM 1994 CE2 TRP A 951 29.813 15.567 20.092 1.00 28.56 A C\nATOM 1995 CE3 TRP A 951 31.365 14.099 21.250 1.00 21.85 A C\nATOM 1996 CZ2 TRP A 951 29.396 16.145 21.294 1.00 29.28 A C\nATOM 1997 CZ3 TRP A 951 30.964 14.656 22.427 1.00 26.79 A C\nATOM 1998 CH2 TRP A 951 29.962 15.679 22.449 1.00 25.12 A C\nATOM 1999 N MET A 952 32.068 10.028 16.295 1.00 28.04 A N\nATOM 2000 CA MET A 952 32.971 9.031 15.724 1.00 31.49 A C\nATOM 2001 C MET A 952 33.558 9.485 14.406 1.00 31.35 A C\nATOM 2002 O MET A 952 32.898 10.092 13.574 1.00 22.79 A O\nATOM 2003 CB MET A 952 32.235 7.699 15.549 1.00 29.84 A C\nATOM 2004 CG MET A 952 31.955 7.055 16.881 1.00 35.69 A C\nATOM 2005 SD MET A 952 31.264 5.418 16.645 1.00 50.21 A S\nATOM 2006 CE MET A 952 29.532 5.748 16.482 1.00 49.56 A C\nATOM 2007 N ILE A 953 34.849 9.215 14.207 1.00 26.28 A N\nATOM 2008 CA ILE A 953 35.477 9.572 12.945 1.00 26.84 A C\nATOM 2009 C ILE A 953 34.795 8.949 11.721 1.00 26.04 A C\nATOM 2010 O ILE A 953 34.618 9.606 10.661 1.00 27.41 A O\nATOM 2011 CB ILE A 953 37.008 9.189 13.002 1.00 27.73 A C\nATOM 2012 CG1 ILE A 953 37.730 10.036 14.057 1.00 41.78 A C\nATOM 2013 CG2 ILE A 953 37.658 9.347 11.637 1.00 34.33 A C\nATOM 2014 CD1 ILE A 953 37.358 11.509 14.059 1.00 44.58 A C\nATOM 2015 N ASP A 954 34.376 7.696 11.878 1.00 29.16 A N\nATOM 2016 CA ASP A 954 33.643 6.975 10.837 1.00 25.74 A C\nATOM 2017 C ASP A 954 32.196 7.450 10.801 1.00 28.20 A C\nATOM 2018 O ASP A 954 31.405 7.040 11.644 1.00 28.96 A O\nATOM 2019 CB ASP A 954 33.681 5.473 11.100 1.00 29.26 A C\nATOM 2020 CG ASP A 954 32.932 4.663 10.055 1.00 44.06 A C\nATOM 2021 OD1 ASP A 954 32.812 3.447 10.275 1.00 41.62 A O\nATOM 2022 OD2 ASP A 954 32.448 5.217 9.035 1.00 48.86 A O\nATOM 2023 N ALA A 955 31.874 8.302 9.828 1.00 23.94 A N\nATOM 2024 CA ALA A 955 30.497 8.895 9.752 1.00 27.43 A C\nATOM 2025 C ALA A 955 29.398 7.840 9.609 1.00 26.35 A C\nATOM 2026 O ALA A 955 28.243 8.053 10.075 1.00 28.83 A O\nATOM 2027 CB ALA A 955 30.425 9.862 8.584 1.00 28.45 A C\nATOM 2028 N ASP A 956 29.709 6.752 8.874 1.00 26.69 A N\nATOM 2029 CA ASP A 956 28.798 5.640 8.673 1.00 35.35 A C\nATOM 2030 C ASP A 956 28.457 4.912 9.979 1.00 40.99 A C\nATOM 2031 O ASP A 956 27.404 4.282 10.089 1.00 37.36 A O\nATOM 2032 CB ASP A 956 29.334 4.636 7.633 1.00 32.05 A C\nATOM 2033 CG ASP A 956 29.294 5.172 6.206 1.00 36.02 A C\nATOM 2034 OD1 ASP A 956 28.299 5.828 5.811 1.00 35.49 A O\nATOM 2035 OD2 ASP A 956 30.257 4.924 5.444 1.00 34.40 A O\nATOM 2036 N SER A 957 29.350 4.987 10.957 1.00 27.19 A N\nATOM 2037 CA SER A 957 29.096 4.376 12.282 1.00 33.80 A C\nATOM 2038 C SER A 957 28.258 5.210 13.267 1.00 30.15 A C\nATOM 2039 O SER A 957 27.822 4.689 14.294 1.00 29.39 A O\nATOM 2040 CB SER A 957 30.420 3.971 12.943 1.00 38.98 A C\nATOM 2041 OG SER A 957 30.965 2.841 12.272 1.00 49.31 A O\nATOM 2042 N ARG A 958 28.104 6.507 12.989 1.00 24.60 A N\nATOM 2043 CA ARG A 958 27.427 7.421 13.874 1.00 22.34 A C\nATOM 2044 C ARG A 958 25.958 6.978 13.823 1.00 26.19 A C\nATOM 2045 O ARG A 958 25.567 6.399 12.818 1.00 29.89 A O\nATOM 2046 CB ARG A 958 27.487 8.840 13.320 1.00 22.29 A C\nATOM 2047 CG ARG A 958 28.877 9.471 13.416 1.00 26.42 A C\nATOM 2048 CD ARG A 958 28.968 10.829 12.731 1.00 21.30 A C\nATOM 2049 NE ARG A 958 30.421 11.064 12.508 1.00 23.89 A N\nATOM 2050 CZ ARG A 958 30.895 11.848 11.556 1.00 24.19 A C\nATOM 2051 NH1 ARG A 958 32.214 11.950 11.405 1.00 25.65 A N\nATOM 2052 NH2 ARG A 958 30.062 12.523 10.754 1.00 24.53 A N\nATOM 2053 N PRO A 959 25.180 7.292 14.873 1.00 25.41 A N\nATOM 2054 CA PRO A 959 23.727 6.979 14.901 1.00 29.19 A C\nATOM 2055 C PRO A 959 23.027 7.670 13.743 1.00 29.90 A C\nATOM 2056 O PRO A 959 23.515 8.685 13.220 1.00 29.85 A O\nATOM 2057 CB PRO A 959 23.253 7.611 16.218 1.00 27.16 A C\nATOM 2058 CG PRO A 959 24.496 7.779 17.044 1.00 33.36 A C\nATOM 2059 CD PRO A 959 25.558 8.113 16.031 1.00 25.57 A C\nATOM 2060 N LYS A 960 21.865 7.156 13.352 1.00 29.28 A N\nATOM 2061 CA LYS A 960 21.033 7.865 12.390 1.00 30.63 A C\nATOM 2062 C LYS A 960 19.933 8.641 13.110 1.00 31.70 A C\nATOM 2063 O LYS A 960 19.543 8.314 14.221 1.00 28.52 A O\nATOM 2064 CB LYS A 960 20.365 6.870 11.429 1.00 32.29 A C\nATOM 2065 CG LYS A 960 21.313 5.899 10.741 1.00 36.44 A C\nATOM 2066 CD LYS A 960 22.209 6.612 9.746 1.00 37.47 A C\nATOM 2067 CE LYS A 960 23.462 5.782 9.499 1.00 48.14 A C\nATOM 2068 NZ LYS A 960 23.127 4.504 8.814 1.00 57.44 A N\nATOM 2069 N PHE A 961 19.394 9.652 12.456 1.00 24.91 A N\nATOM 2070 CA PHE A 961 18.433 10.468 13.137 1.00 26.97 A C\nATOM 2071 C PHE A 961 17.237 9.612 13.525 1.00 22.48 A C\nATOM 2072 O PHE A 961 16.689 9.800 14.595 1.00 26.85 A O\nATOM 2073 CB PHE A 961 18.014 11.643 12.277 1.00 33.43 A C\nATOM 2074 CG PHE A 961 19.026 12.743 12.274 1.00 24.90 A C\nATOM 2075 CD1 PHE A 961 19.358 13.369 13.466 1.00 23.94 A C\nATOM 2076 CD2 PHE A 961 19.630 13.143 11.093 1.00 24.13 A C\nATOM 2077 CE1 PHE A 961 20.352 14.358 13.498 1.00 26.04 A C\nATOM 2078 CE2 PHE A 961 20.554 14.165 11.109 1.00 27.17 A C\nATOM 2079 CZ PHE A 961 20.904 14.778 12.306 1.00 25.42 A C\nATOM 2080 N ARG A 962 16.913 8.620 12.705 1.00 24.16 A N\nATOM 2081 CA ARG A 962 15.698 7.803 12.997 1.00 32.45 A C\nATOM 2082 C ARG A 962 15.979 7.043 14.307 1.00 35.66 A C\nATOM 2083 O ARG A 962 15.109 6.916 15.173 1.00 34.39 A O\nATOM 2084 CB ARG A 962 15.393 6.848 11.821 1.00 36.50 A C\nATOM 2085 CG ARG A 962 16.445 5.762 11.594 1.00 48.32 A C\nATOM 2086 CD ARG A 962 16.647 5.384 10.127 1.00 72.54 A C\nATOM 2087 NE ARG A 962 17.491 6.337 9.388 1.00 61.27 A N\nATOM 2088 CZ ARG A 962 18.232 6.030 8.322 1.00 64.43 A C\nATOM 2089 NH1 ARG A 962 18.264 4.780 7.865 1.00 77.99 A N\nATOM 2090 NH2 ARG A 962 18.964 6.968 7.716 1.00 54.18 A N\nATOM 2091 N GLU A 963 17.232 6.598 14.462 1.00 30.85 A N\nATOM 2092 CA GLU A 963 17.713 5.932 15.695 1.00 32.05 A C\nATOM 2093 C GLU A 963 17.723 6.833 16.937 1.00 31.45 A C\nATOM 2094 O GLU A 963 17.424 6.388 18.040 1.00 29.54 A O\nATOM 2095 CB GLU A 963 19.123 5.344 15.466 1.00 37.66 A C\nATOM 2096 CG GLU A 963 19.140 4.191 14.463 1.00 39.70 A C\nATOM 2097 CD GLU A 963 20.539 3.774 14.022 1.00 60.45 A C\nATOM 2098 OE1 GLU A 963 20.644 2.752 13.313 1.00 56.23 A O\nATOM 2099 OE2 GLU A 963 21.533 4.453 14.369 1.00 41.38 A O\nATOM 2100 N LEU A 964 18.100 8.096 16.762 1.00 25.31 A N\nATOM 2101 CA LEU A 964 18.184 9.032 17.859 1.00 26.32 A C\nATOM 2102 C LEU A 964 16.778 9.424 18.328 1.00 26.13 A C\nATOM 2103 O LEU A 964 16.542 9.584 19.516 1.00 28.65 A O\nATOM 2104 CB LEU A 964 18.960 10.264 17.395 1.00 25.89 A C\nATOM 2105 CG LEU A 964 20.460 10.072 17.111 1.00 28.60 A C\nATOM 2106 CD1 LEU A 964 20.942 11.251 16.261 1.00 28.66 A C\nATOM 2107 CD2 LEU A 964 21.206 9.996 18.428 1.00 27.47 A C\nATOM 2108 N ILE A 965 15.848 9.508 17.390 1.00 28.34 A N\nATOM 2109 CA ILE A 965 14.435 9.745 17.762 1.00 26.46 A C\nATOM 2110 C ILE A 965 13.987 8.624 18.726 1.00 30.61 A C\nATOM 2111 O ILE A 965 13.446 8.890 19.807 1.00 35.75 A O\nATOM 2112 CB ILE A 965 13.507 9.775 16.531 1.00 25.40 A C\nATOM 2113 CG1 ILE A 965 13.784 10.979 15.618 1.00 25.97 A C\nATOM 2114 CG2 ILE A 965 12.032 9.811 17.000 1.00 25.35 A C\nATOM 2115 CD1 ILE A 965 13.176 10.873 14.232 1.00 30.34 A C\nATOM 2116 N ILE A 966 14.233 7.375 18.338 1.00 29.68 A N\nATOM 2117 CA ILE A 966 13.841 6.221 19.176 1.00 33.21 A C\nATOM 2118 C ILE A 966 14.534 6.232 20.529 1.00 36.70 A C\nATOM 2119 O ILE A 966 13.885 6.070 21.549 1.00 31.29 A O\nATOM 2120 CB ILE A 966 14.066 4.878 18.435 1.00 37.90 A C\nATOM 2121 CG1 ILE A 966 13.175 4.837 17.184 1.00 35.13 A C\nATOM 2122 CG2 ILE A 966 13.825 3.690 19.359 1.00 38.22 A C\nATOM 2123 CD1 ILE A 966 13.473 3.718 16.211 1.00 39.64 A C\nATOM 2124 N GLU A 967 15.857 6.436 20.546 1.00 29.87 A N\nATOM 2125 CA GLU A 967 16.596 6.395 21.799 1.00 30.45 A C\nATOM 2126 C GLU A 967 16.229 7.514 22.744 1.00 27.32 A C\nATOM 2127 O GLU A 967 16.050 7.279 23.938 1.00 31.31 A O\nATOM 2128 CB GLU A 967 18.118 6.417 21.550 1.00 29.82 A C\nATOM 2129 CG GLU A 967 18.888 6.111 22.833 1.00 41.91 A C\nATOM 2130 CD GLU A 967 20.220 5.413 22.612 1.00 67.96 A C\nATOM 2131 OE1 GLU A 967 20.706 5.384 21.459 1.00 72.73 A O\nATOM 2132 OE2 GLU A 967 20.787 4.895 23.605 1.00 71.12 A O\nATOM 2133 N PHE A 968 16.157 8.746 22.244 1.00 25.09 A N\nATOM 2134 CA PHE A 968 15.799 9.825 23.118 1.00 24.70 A C\nATOM 2135 C PHE A 968 14.334 9.732 23.526 1.00 27.77 A C\nATOM 2136 O PHE A 968 13.984 10.202 24.602 1.00 33.79 A O\nATOM 2137 CB PHE A 968 16.098 11.200 22.519 1.00 29.04 A C\nATOM 2138 CG PHE A 968 17.534 11.615 22.687 1.00 26.08 A C\nATOM 2139 CD1 PHE A 968 17.986 12.107 23.923 1.00 28.02 A C\nATOM 2140 CD2 PHE A 968 18.414 11.523 21.643 1.00 31.48 A C\nATOM 2141 CE1 PHE A 968 19.312 12.484 24.098 1.00 37.91 A C\nATOM 2142 CE2 PHE A 968 19.764 11.894 21.814 1.00 28.57 A C\nATOM 2143 CZ PHE A 968 20.193 12.375 23.040 1.00 28.34 A C\nATOM 2144 N SER A 969 13.498 9.131 22.682 1.00 30.87 A N\nATOM 2145 CA SER A 969 12.068 8.965 23.060 1.00 33.85 A C\nATOM 2146 C SER A 969 11.898 7.999 24.228 1.00 33.17 A C\nATOM 2147 O SER A 969 11.093 8.243 25.128 1.00 34.84 A O\nATOM 2148 CB SER A 969 11.181 8.532 21.883 1.00 32.06 A C\nATOM 2149 OG SER A 969 10.991 9.585 20.955 1.00 33.02 A O\nATOM 2150 N LYS A 970 12.652 6.908 24.205 1.00 32.14 A N\nATOM 2151 CA LYS A 970 12.703 5.961 25.309 1.00 37.37 A C\nATOM 2152 C LYS A 970 13.193 6.609 26.609 1.00 39.04 A C\nATOM 2153 O LYS A 970 12.638 6.378 27.685 1.00 34.22 A O\nATOM 2154 CB LYS A 970 13.586 4.781 24.930 1.00 44.71 A C\nATOM 2155 CG LYS A 970 13.514 3.603 25.888 1.00 54.40 A C\nATOM 2156 CD LYS A 970 14.842 2.871 25.914 1.00 66.75 A C\nATOM 2157 CE LYS A 970 15.858 3.647 26.735 1.00 61.14 A C\nATOM 2158 NZ LYS A 970 17.221 3.578 26.145 1.00 57.30 A N\nATOM 2159 N MET A 971 14.221 7.447 26.507 1.00 34.27 A N\nATOM 2160 CA MET A 971 14.714 8.170 27.667 1.00 38.53 A C\nATOM 2161 C MET A 971 13.699 9.182 28.205 1.00 36.40 A C\nATOM 2162 O MET A 971 13.541 9.326 29.421 1.00 37.01 A O\nATOM 2163 CB MET A 971 16.045 8.860 27.343 1.00 32.59 A C\nATOM 2164 CG MET A 971 17.187 7.876 27.201 1.00 37.63 A C\nATOM 2165 SD MET A 971 18.730 8.693 26.743 1.00 42.65 A S\nATOM 2166 CE MET A 971 19.755 7.243 26.504 1.00 41.03 A C\nATOM 2167 N ALA A 972 13.022 9.881 27.306 1.00 35.63 A N\nATOM 2168 CA ALA A 972 12.009 10.863 27.707 1.00 40.29 A C\nATOM 2169 C ALA A 972 10.846 10.214 28.471 1.00 39.74 A C\nATOM 2170 O ALA A 972 10.048 10.905 29.100 1.00 41.83 A O\nATOM 2171 CB ALA A 972 11.484 11.612 26.501 1.00 36.65 A C\nATOM 2172 N ARG A 973 10.763 8.890 28.411 1.00 38.80 A N\nATOM 2173 CA ARG A 973 9.721 8.145 29.122 1.00 45.17 A C\nATOM 2174 C ARG A 973 10.071 7.938 30.587 1.00 46.95 A C\nATOM 2175 O ARG A 973 9.193 7.680 31.408 1.00 46.82 A O\nATOM 2176 CB ARG A 973 9.460 6.799 28.448 1.00 49.11 A C\nATOM 2177 CG ARG A 973 8.497 6.894 27.281 1.00 63.00 A C\nATOM 2178 CD ARG A 973 8.006 5.523 26.852 1.00 68.86 A C\nATOM 2179 NE ARG A 973 8.972 4.845 25.992 1.00 74.80 A N\nATOM 2180 CZ ARG A 973 9.147 5.112 24.699 1.00 74.25 A C\nATOM 2181 NH1 ARG A 973 8.426 6.054 24.094 1.00 60.78 A N\nATOM 2182 NH2 ARG A 973 10.052 4.439 24.007 1.00 62.58 A N\nATOM 2183 N ASP A 974 11.356 8.059 30.913 1.00 44.27 A N\nATOM 2184 CA ASP A 974 11.825 7.902 32.281 1.00 40.09 A C\nATOM 2185 C ASP A 974 12.989 8.886 32.485 1.00 43.22 A C\nATOM 2186 O ASP A 974 14.125 8.467 32.685 1.00 44.56 A O\nATOM 2187 CB ASP A 974 12.254 6.440 32.496 1.00 49.38 A C\nATOM 2188 CG ASP A 974 12.701 6.146 33.922 1.00 50.59 A C\nATOM 2189 OD1 ASP A 974 12.452 6.968 34.825 1.00 48.82 A O\nATOM 2190 OD2 ASP A 974 13.317 5.076 34.134 1.00 59.91 A O\nATOM 2191 N PRO A 975 12.706 10.199 32.427 1.00 47.74 A N\nATOM 2192 CA PRO A 975 13.787 11.200 32.291 1.00 38.86 A C\nATOM 2193 C PRO A 975 14.784 11.235 33.452 1.00 49.16 A C\nATOM 2194 O PRO A 975 15.972 11.511 33.256 1.00 35.53 A O\nATOM 2195 CB PRO A 975 13.033 12.530 32.189 1.00 42.70 A C\nATOM 2196 CG PRO A 975 11.678 12.271 32.763 1.00 40.71 A C\nATOM 2197 CD PRO A 975 11.371 10.826 32.491 1.00 37.78 A C\nATOM 2198 N GLN A 976 14.305 10.943 34.654 1.00 46.37 A N\nATOM 2199 CA GLN A 976 15.132 11.037 35.844 1.00 44.65 A C\nATOM 2200 C GLN A 976 16.125 9.898 35.976 1.00 44.99 A C\nATOM 2201 O GLN A 976 17.103 10.018 36.712 1.00 46.21 A O\nATOM 2202 CB GLN A 976 14.268 11.228 37.092 1.00 49.69 A C\nATOM 2203 CG GLN A 976 13.475 12.530 37.034 1.00 56.06 A C\nATOM 2204 CD GLN A 976 12.517 12.716 38.191 1.00 63.88 A C\nATOM 2205 OE1 GLN A 976 11.316 12.930 37.993 1.00 71.50 A O\nATOM 2206 NE2 GLN A 976 13.039 12.644 39.403 1.00 50.50 A N\nATOM 2207 N ARG A 977 15.884 8.808 35.243 1.00 42.74 A N\nATOM 2208 CA ARG A 977 16.888 7.757 35.069 1.00 45.63 A C\nATOM 2209 C ARG A 977 18.112 8.246 34.274 1.00 43.53 A C\nATOM 2210 O ARG A 977 19.234 7.782 34.496 1.00 42.89 A O\nATOM 2211 CB ARG A 977 16.281 6.535 34.364 1.00 45.27 A C\nATOM 2212 CG ARG A 977 17.132 5.283 34.472 1.00 46.22 A C\nATOM 2213 CD ARG A 977 16.596 4.107 33.671 1.00 54.73 A C\nATOM 2214 NE ARG A 977 17.709 3.226 33.297 1.00 57.38 A N\nATOM 2215 CZ ARG A 977 17.623 2.135 32.532 1.00 64.89 A C\nATOM 2216 NH1 ARG A 977 18.720 1.429 32.275 1.00 58.85 A N\nATOM 2217 NH2 ARG A 977 16.465 1.744 32.016 1.00 46.96 A N\nATOM 2218 N TYR A 978 17.904 9.187 33.354 1.00 45.93 A N\nATOM 2219 CA TYR A 978 18.962 9.530 32.383 1.00 38.90 A C\nATOM 2220 C TYR A 978 19.665 10.872 32.595 1.00 39.82 A C\nATOM 2221 O TYR A 978 20.848 11.039 32.216 1.00 32.24 A O\nATOM 2222 CB TYR A 978 18.411 9.401 30.966 1.00 35.50 A C\nATOM 2223 CG TYR A 978 17.969 7.990 30.665 1.00 38.93 A C\nATOM 2224 CD1 TYR A 978 16.619 7.628 30.743 1.00 41.70 A C\nATOM 2225 CD2 TYR A 978 18.900 7.009 30.321 1.00 39.01 A C\nATOM 2226 CE1 TYR A 978 16.211 6.324 30.474 1.00 40.99 A C\nATOM 2227 CE2 TYR A 978 18.500 5.699 30.064 1.00 43.77 A C\nATOM 2228 CZ TYR A 978 17.154 5.369 30.140 1.00 47.30 A C\nATOM 2229 OH TYR A 978 16.756 4.081 29.863 1.00 43.86 A O\nATOM 2230 N LEU A 979 18.938 11.822 33.181 1.00 32.08 A N\nATOM 2231 CA LEU A 979 19.534 13.110 33.578 1.00 32.15 A C\nATOM 2232 C LEU A 979 19.379 13.331 35.074 1.00 37.34 A C\nATOM 2233 O LEU A 979 18.300 13.095 35.640 1.00 40.97 A O\nATOM 2234 CB LEU A 979 18.920 14.286 32.787 1.00 32.90 A C\nATOM 2235 CG LEU A 979 19.028 14.222 31.257 1.00 37.92 A C\nATOM 2236 CD1 LEU A 979 18.289 15.375 30.604 1.00 34.76 A C\nATOM 2237 CD2 LEU A 979 20.481 14.218 30.787 1.00 30.23 A C\nATOM 2238 N VAL A 980 20.460 13.780 35.710 1.00 35.35 A N\nATOM 2239 CA VAL A 980 20.490 14.006 37.150 1.00 41.00 A C\nATOM 2240 C VAL A 980 20.533 15.506 37.424 1.00 40.10 A C\nATOM 2241 O VAL A 980 21.585 16.134 37.309 1.00 40.40 A O\nATOM 2242 CB VAL A 980 21.692 13.297 37.827 1.00 41.35 A C\nATOM 2243 CG1 VAL A 980 21.594 13.413 39.343 1.00 47.67 A C\nATOM 2244 CG2 VAL A 980 21.748 11.832 37.428 1.00 44.11 A C\nATOM 2245 N ILE A 981 19.380 16.067 37.785 1.00 38.21 A N\nATOM 2246 CA ILE A 981 19.229 17.500 38.005 1.00 41.44 A C\nATOM 2247 C ILE A 981 18.665 17.708 39.411 1.00 50.08 A C\nATOM 2248 O ILE A 981 17.603 17.179 39.731 1.00 46.16 A O\nATOM 2249 CB ILE A 981 18.273 18.126 36.956 1.00 43.63 A C\nATOM 2250 CG1 ILE A 981 18.811 17.912 35.526 1.00 40.45 A C\nATOM 2251 CG2 ILE A 981 18.020 19.603 37.244 1.00 44.86 A C\nATOM 2252 CD1 ILE A 981 17.808 18.200 34.428 1.00 44.41 A C\nATOM 2253 N GLN A 982 19.367 18.469 40.247 1.00 50.83 A N\nATOM 2254 CA GLN A 982 18.880 18.741 41.600 1.00 51.62 A C\nATOM 2255 C GLN A 982 17.574 19.526 41.551 1.00 55.46 A C\nATOM 2256 O GLN A 982 17.480 20.552 40.874 1.00 57.81 A O\nATOM 2257 CB GLN A 982 19.919 19.503 42.417 1.00 66.60 A C\nATOM 2258 CG GLN A 982 19.629 19.481 43.912 1.00 84.41 A C\nATOM 2259 CD GLN A 982 20.596 20.323 44.721 1.00 91.98 A C\nATOM 2260 OE1 GLN A 982 20.963 21.428 44.321 1.00 79.66 A O\nATOM 2261 NE2 GLN A 982 21.005 19.805 45.874 1.00 98.17 A N\nATOM 2262 N GLY A 983 16.564 19.031 42.260 1.00 57.34 A N\nATOM 2263 CA GLY A 983 15.272 19.707 42.324 1.00 58.56 A C\nATOM 2264 C GLY A 983 14.382 19.380 41.140 1.00 64.74 A C\nATOM 2265 O GLY A 983 13.302 19.957 40.991 1.00 57.96 A O\nATOM 2266 N ASP A 984 14.829 18.429 40.319 1.00 58.41 A N\nATOM 2267 CA ASP A 984 14.153 18.052 39.082 1.00 50.51 A C\nATOM 2268 C ASP A 984 12.631 17.979 39.234 1.00 54.41 A C\nATOM 2269 O ASP A 984 11.900 18.579 38.444 1.00 54.82 A O\nATOM 2270 CB ASP A 984 14.706 16.714 38.572 1.00 41.18 A C\nATOM 2271 CG ASP A 984 14.494 16.510 37.081 1.00 51.31 A C\nATOM 2272 OD1 ASP A 984 13.942 17.406 36.407 1.00 55.80 A O\nATOM 2273 OD2 ASP A 984 14.890 15.434 36.583 1.00 53.67 A O\nATOM 2274 N GLU A 985 12.168 17.250 40.250 1.00 61.44 A N\nATOM 2275 CA GLU A 985 10.734 17.068 40.514 1.00 75.39 A C\nATOM 2276 C GLU A 985 9.997 18.398 40.742 1.00 70.39 A C\nATOM 2277 O GLU A 985 8.878 18.582 40.260 1.00 71.81 A O\nATOM 2278 CB GLU A 985 10.529 16.127 41.710 1.00 87.47 A C\nATOM 2279 CG GLU A 985 9.132 15.530 41.829 1.00106.30 A C\nATOM 2280 CD GLU A 985 8.910 14.338 40.911 1.00119.07 A C\nATOM 2281 OE1 GLU A 985 9.723 13.387 40.948 1.00109.24 A O\nATOM 2282 OE2 GLU A 985 7.911 14.345 40.160 1.00120.64 A O\nATOM 2283 N ARG A 986 10.636 19.315 41.465 1.00 70.04 A N\nATOM 2284 CA ARG A 986 10.063 20.626 41.770 1.00 74.49 A C\nATOM 2285 C ARG A 986 10.618 21.720 40.852 1.00 82.24 A C\nATOM 2286 O ARG A 986 11.241 22.679 41.317 1.00 98.92 A O\nATOM 2287 CB ARG A 986 10.291 20.990 43.249 1.00 78.16 A C\nATOM 2288 CG ARG A 986 9.347 20.310 44.236 1.00 89.52 A C\nATOM 2289 CD ARG A 986 9.857 18.947 44.685 1.00 91.30 A C\nATOM 2290 NE ARG A 986 10.823 19.046 45.780 1.00105.11 A N\nATOM 2291 CZ ARG A 986 10.561 18.740 47.050 1.00116.04 A C\nATOM 2292 NH1 ARG A 986 9.358 18.302 47.404 1.00113.63 A N\nATOM 2293 NH2 ARG A 986 11.509 18.865 47.973 1.00102.80 A N\nATOM 2294 N MET A 987 10.395 21.570 39.548 1.00 81.34 A N\nATOM 2295 CA MET A 987 10.823 22.582 38.579 1.00 74.92 A C\nATOM 2296 C MET A 987 9.706 23.056 37.667 1.00 78.05 A C\nATOM 2297 O MET A 987 9.112 22.272 36.924 1.00 65.68 A O\nATOM 2298 CB MET A 987 12.022 22.112 37.756 1.00 80.36 A C\nATOM 2299 CG MET A 987 13.333 22.695 38.244 1.00 67.52 A C\nATOM 2300 SD MET A 987 14.745 21.861 37.521 1.00 74.21 A S\nATOM 2301 CE MET A 987 16.070 22.517 38.532 1.00 74.56 A C\nATOM 2302 N HIS A 988 9.450 24.356 37.730 1.00 94.20 A N\nATOM 2303 CA HIS A 988 8.340 24.980 37.028 1.00 94.97 A C\nATOM 2304 C HIS A 988 8.871 25.986 36.014 1.00 76.90 A C\nATOM 2305 O HIS A 988 9.596 26.914 36.376 1.00 78.04 A O\nATOM 2306 CB HIS A 988 7.414 25.673 38.040 1.00115.88 A C\nATOM 2307 CG HIS A 988 8.135 26.558 39.016 1.00132.41 A C\nATOM 2308 ND1 HIS A 988 8.836 26.062 40.095 1.00126.55 A N\nATOM 2309 CD2 HIS A 988 8.264 27.905 39.071 1.00128.35 A C\nATOM 2310 CE1 HIS A 988 9.366 27.065 40.772 1.00120.82 A C\nATOM 2311 NE2 HIS A 988 9.034 28.194 40.172 1.00121.40 A N\nATOM 2312 N LEU A 989 8.529 25.798 34.744 1.00 61.44 A N\nATOM 2313 CA LEU A 989 8.944 26.763 33.728 1.00 72.63 A C\nATOM 2314 C LEU A 989 8.065 28.009 33.747 1.00 85.75 A C\nATOM 2315 O LEU A 989 6.834 27.894 33.749 1.00 68.16 A O\nATOM 2316 CB LEU A 989 8.997 26.145 32.325 1.00 67.66 A C\nATOM 2317 CG LEU A 989 10.311 25.454 31.936 1.00 67.91 A C\nATOM 2318 CD1 LEU A 989 10.234 25.008 30.488 1.00 65.81 A C\nATOM 2319 CD2 LEU A 989 11.531 26.344 32.152 1.00 50.84 A C\nATOM 2320 N PRO A 990 8.700 29.202 33.773 1.00 86.52 A N\nATOM 2321 CA PRO A 990 7.985 30.476 33.786 1.00 89.95 A C\nATOM 2322 C PRO A 990 7.082 30.614 32.576 1.00 85.79 A C\nATOM 2323 O PRO A 990 7.395 30.085 31.505 1.00 80.02 A O\nATOM 2324 CB PRO A 990 9.110 31.515 33.708 1.00 92.65 A C\nATOM 2325 CG PRO A 990 10.305 30.821 34.259 1.00 91.35 A C\nATOM 2326 CD PRO A 990 10.161 29.400 33.802 1.00 83.38 A C\nATOM 2327 N SER A 991 5.965 31.312 32.762 1.00 84.48 A N\nATOM 2328 CA SER A 991 5.051 31.639 31.676 1.00 93.44 A C\nATOM 2329 C SER A 991 5.854 32.156 30.482 1.00 92.51 A C\nATOM 2330 O SER A 991 6.660 33.080 30.632 1.00 91.73 A O\nATOM 2331 CB SER A 991 4.032 32.684 32.138 1.00 98.17 A C\nATOM 2332 OG SER A 991 3.057 32.924 31.141 1.00 92.32 A O\nATOM 2333 N PRO A 992 5.655 31.541 29.299 1.00 96.28 A N\nATOM 2334 CA PRO A 992 6.471 31.836 28.118 1.00 93.22 A C\nATOM 2335 C PRO A 992 6.521 33.327 27.773 1.00101.42 A C\nATOM 2336 O PRO A 992 7.588 33.832 27.417 1.00105.40 A O\nATOM 2337 CB PRO A 992 5.781 31.044 26.999 1.00 89.86 A C\nATOM 2338 CG PRO A 992 5.037 29.959 27.697 1.00 95.22 A C\nATOM 2339 CD PRO A 992 4.610 30.540 29.012 1.00100.69 A C\nATOM 2340 N THR A 993 5.386 34.019 27.896 1.00 81.78 A N\nATOM 2341 CA THR A 993 5.290 35.439 27.527 1.00 91.40 A C\nATOM 2342 C THR A 993 5.809 36.395 28.607 1.00106.34 A C\nATOM 2343 O THR A 993 5.974 37.594 28.355 1.00103.45 A O\nATOM 2344 CB THR A 993 3.857 35.833 27.114 1.00 90.34 A C\nATOM 2345 OG1 THR A 993 2.911 35.171 27.963 1.00 97.10 A O\nATOM 2346 CG2 THR A 993 3.590 35.439 25.666 1.00 85.30 A C\nATOM 2347 N ASP A 994 6.066 35.861 29.800 1.00111.43 A N\nATOM 2348 CA ASP A 994 6.711 36.622 30.869 1.00102.16 A C\nATOM 2349 C ASP A 994 8.228 36.642 30.686 1.00 91.62 A C\nATOM 2350 O ASP A 994 8.942 37.286 31.459 1.00 91.58 A O\nATOM 2351 CB ASP A 994 6.352 36.050 32.248 1.00102.74 A C\nATOM 2352 CG ASP A 994 4.889 36.266 32.618 1.00109.76 A C\nATOM 2353 OD1 ASP A 994 4.078 36.622 31.733 1.00 97.63 A O\nATOM 2354 OD2 ASP A 994 4.551 36.072 33.807 1.00 97.59 A O\nATOM 2355 N SER A 995 8.716 35.937 29.664 1.00 82.22 A N\nATOM 2356 CA SER A 995 10.146 35.925 29.364 1.00 72.60 A C\nATOM 2357 C SER A 995 10.578 37.299 28.878 1.00 75.53 A C\nATOM 2358 O SER A 995 9.802 38.037 28.253 1.00 70.58 A O\nATOM 2359 CB SER A 995 10.526 34.838 28.336 1.00 76.40 A C\nATOM 2360 OG SER A 995 10.649 35.348 27.010 1.00 56.44 A O\nATOM 2361 N ASN A 996 11.823 37.631 29.181 1.00 70.57 A N\nATOM 2362 CA ASN A 996 12.399 38.885 28.758 1.00 73.99 A C\nATOM 2363 C ASN A 996 12.426 38.999 27.234 1.00 75.58 A C\nATOM 2364 O ASN A 996 12.012 40.027 26.679 1.00 73.07 A O\nATOM 2365 CB ASN A 996 13.791 39.042 29.372 1.00 63.63 A C\nATOM 2366 CG ASN A 996 13.744 39.179 30.887 1.00 74.59 A C\nATOM 2367 OD1 ASN A 996 12.766 39.689 31.448 1.00 68.42 A O\nATOM 2368 ND2 ASN A 996 14.799 38.723 31.558 1.00 60.65 A N\nATOM 2369 N PHE A 997 12.862 37.923 26.570 1.00 67.63 A N\nATOM 2370 CA PHE A 997 13.005 37.907 25.112 1.00 45.42 A C\nATOM 2371 C PHE A 997 11.723 38.287 24.381 1.00 51.92 A C\nATOM 2372 O PHE A 997 11.767 39.103 23.461 1.00 62.38 A O\nATOM 2373 CB PHE A 997 13.574 36.568 24.597 1.00 55.03 A C\nATOM 2374 CG PHE A 997 14.234 36.683 23.247 1.00 45.20 A C\nATOM 2375 CD1 PHE A 997 13.478 36.619 22.079 1.00 41.23 A C\nATOM 2376 CD2 PHE A 997 15.601 36.904 23.143 1.00 48.66 A C\nATOM 2377 CE1 PHE A 997 14.070 36.757 20.831 1.00 36.44 A C\nATOM 2378 CE2 PHE A 997 16.208 37.047 21.903 1.00 48.46 A C\nATOM 2379 CZ PHE A 997 15.445 36.979 20.742 1.00 37.79 A C\nATOM 2380 N TYR A 998 10.589 37.715 24.789 1.00 43.98 A N\nATOM 2381 CA TYR A 998 9.319 37.981 24.111 1.00 50.06 A C\nATOM 2382 C TYR A 998 8.932 39.466 24.207 1.00 52.66 A C\nATOM 2383 O TYR A 998 8.694 40.110 23.181 1.00 50.37 A O\nATOM 2384 CB TYR A 998 8.182 37.087 24.631 1.00 50.26 A C\nATOM 2385 CG TYR A 998 6.861 37.329 23.917 1.00 53.59 A C\nATOM 2386 CD1 TYR A 998 6.503 36.573 22.808 1.00 65.72 A C\nATOM 2387 CD2 TYR A 998 5.975 38.320 24.349 1.00 66.46 A C\nATOM 2388 CE1 TYR A 998 5.305 36.785 22.146 1.00 71.54 A C\nATOM 2389 CE2 TYR A 998 4.776 38.545 23.691 1.00 67.06 A C\nATOM 2390 CZ TYR A 998 4.445 37.775 22.590 1.00 81.38 A C\nATOM 2391 OH TYR A 998 3.255 37.987 21.927 1.00 83.86 A O\nATOM 2392 N ARG A 999 8.874 39.991 25.432 1.00 56.42 A N\nATOM 2393 CA ARG A 999 8.503 41.399 25.661 1.00 66.76 A C\nATOM 2394 C ARG A 999 9.413 42.378 24.905 1.00 72.09 A C\nATOM 2395 O ARG A 999 8.908 43.316 24.264 1.00 54.14 A O\nATOM 2396 CB ARG A 999 8.470 41.731 27.157 1.00 75.45 A C\nATOM 2397 CG ARG A 999 7.216 41.268 27.883 1.00 74.94 A C\nATOM 2398 CD ARG A 999 7.080 41.993 29.214 1.00 92.57 A C\nATOM 2399 NE ARG A 999 5.868 41.637 29.954 1.00100.40 A N\nATOM 2400 CZ ARG A 999 4.684 42.235 29.815 1.00 91.52 A C\nATOM 2401 NH1 ARG A 999 3.653 41.834 30.548 1.00 82.09 A N\nATOM 2402 NH2 ARG A 999 4.521 43.229 28.948 1.00 73.74 A N\nATOM 2403 N ALA A1000 10.733 42.126 24.981 1.00 57.15 A N\nATOM 2404 CA ALA A1000 11.789 42.855 24.248 1.00 68.38 A C\nATOM 2405 C ALA A1000 11.556 42.981 22.738 1.00 71.95 A C\nATOM 2406 O ALA A1000 12.022 43.944 22.112 1.00 65.03 A O\nATOM 2407 CB ALA A1000 13.165 42.217 24.502 1.00 40.39 A C\nATOM 2408 N LEU A1001 10.858 42.001 22.161 1.00 46.21 A N\nATOM 2409 CA LEU A1001 10.599 41.970 20.736 1.00 40.49 A C\nATOM 2410 C LEU A1001 9.259 42.576 20.348 1.00 53.57 A C\nATOM 2411 O LEU A1001 9.165 43.282 19.337 1.00 53.84 A O\nATOM 2412 CB LEU A1001 10.631 40.517 20.238 1.00 45.77 A C\nATOM 2413 CG LEU A1001 11.848 40.057 19.447 1.00 44.23 A C\nATOM 2414 CD1 LEU A1001 13.080 40.042 20.339 1.00 48.87 A C\nATOM 2415 CD2 LEU A1001 11.594 38.682 18.855 1.00 41.26 A C\nATOM 2416 N MET A1002 8.227 42.280 21.138 1.00 53.10 A N\nATOM 2417 CA MET A1002 6.840 42.522 20.706 1.00 62.26 A C\nATOM 2418 C MET A1002 6.179 43.786 21.256 1.00 69.68 A C\nATOM 2419 O MET A1002 5.263 44.326 20.625 1.00 61.34 A O\nATOM 2420 CB MET A1002 5.961 41.304 21.002 1.00 58.73 A C\nATOM 2421 CG MET A1002 6.454 39.993 20.406 1.00 69.22 A C\nATOM 2422 SD MET A1002 6.912 40.077 18.661 1.00 66.89 A S\nATOM 2423 CE MET A1002 5.350 40.495 17.883 1.00 72.08 A C\nATOM 2424 N ASP A1003 6.640 44.251 22.416 1.00 73.79 A N\nATOM 2425 CA ASP A1003 6.024 45.404 23.095 1.00 93.71 A C\nATOM 2426 C ASP A1003 6.280 46.765 22.430 1.00 87.67 A C\nATOM 2427 O ASP A1003 5.575 47.736 22.721 1.00 88.50 A O\nATOM 2428 CB ASP A1003 6.420 45.449 24.578 1.00 89.49 A C\nATOM 2429 CG ASP A1003 5.643 44.452 25.426 1.00 94.17 A C\nATOM 2430 OD1 ASP A1003 5.332 43.344 24.936 1.00 89.80 A O\nATOM 2431 OD2 ASP A1003 5.350 44.779 26.596 1.00109.80 A O\nATOM 2432 N GLU A1004 7.276 46.830 21.546 1.00 85.41 A N\nATOM 2433 CA GLU A1004 7.565 48.046 20.781 1.00 93.45 A C\nATOM 2434 C GLU A1004 6.314 48.554 20.060 1.00 91.45 A C\nATOM 2435 O GLU A1004 5.539 47.762 19.520 1.00 82.23 A O\nATOM 2436 CB GLU A1004 8.690 47.788 19.775 1.00 93.39 A C\nATOM 2437 CG GLU A1004 9.148 49.021 19.005 1.00 94.09 A C\nATOM 2438 CD GLU A1004 10.248 48.715 18.005 1.00101.52 A C\nATOM 2439 OE1 GLU A1004 10.530 49.583 17.147 1.00 80.73 A O\nATOM 2440 OE2 GLU A1004 10.832 47.611 18.072 1.00 81.92 A O\nATOM 2441 N GLU A1005 6.126 49.874 20.064 1.00 95.81 A N\nATOM 2442 CA GLU A1005 4.944 50.509 19.468 1.00104.88 A C\nATOM 2443 C GLU A1005 4.859 50.336 17.949 1.00106.59 A C\nATOM 2444 O GLU A1005 3.762 50.332 17.384 1.00111.84 A O\nATOM 2445 CB GLU A1005 4.872 51.991 19.851 1.00104.00 A C\nATOM 2446 CG GLU A1005 4.303 52.231 21.243 1.00107.89 A C\nATOM 2447 CD GLU A1005 4.496 53.654 21.742 1.00110.98 A C\nATOM 2448 OE1 GLU A1005 4.178 53.906 22.925 1.00 95.43 A O\nATOM 2449 OE2 GLU A1005 4.963 54.518 20.966 1.00103.24 A O\nATOM 2450 N ASP A1006 6.016 50.190 17.301 1.00117.69 A N\nATOM 2451 CA ASP A1006 6.085 49.910 15.862 1.00122.83 A C\nATOM 2452 C ASP A1006 5.346 48.617 15.502 1.00114.70 A C\nATOM 2453 O ASP A1006 4.738 48.520 14.432 1.00108.57 A O\nATOM 2454 CB ASP A1006 7.541 49.857 15.382 1.00123.65 A C\nATOM 2455 CG ASP A1006 8.165 51.241 15.222 1.00120.44 A C\nATOM 2456 OD1 ASP A1006 7.426 52.226 15.000 1.00108.22 A O\nATOM 2457 OD2 ASP A1006 9.407 51.342 15.307 1.00108.51 A O\nATOM 2458 N MET A1007 5.403 47.637 16.405 1.00 95.23 A N\nATOM 2459 CA MET A1007 4.582 46.431 16.311 1.00 90.94 A C\nATOM 2460 C MET A1007 3.162 46.781 16.768 1.00 99.19 A C\nATOM 2461 O MET A1007 2.757 46.435 17.880 1.00109.79 A O\nATOM 2462 CB MET A1007 5.163 45.292 17.172 1.00 83.16 A C\nATOM 2463 CG MET A1007 6.685 45.153 17.169 1.00 67.00 A C\nATOM 2464 SD MET A1007 7.428 44.700 15.581 1.00 68.15 A S\nATOM 2465 CE MET A1007 6.871 43.001 15.382 1.00 58.33 A C\nATOM 2466 N ASP A1008 2.420 47.477 15.905 1.00111.50 A N\nATOM 2467 CA ASP A1008 1.107 48.039 16.253 1.00111.00 A C\nATOM 2468 C ASP A1008 0.024 46.965 16.422 1.00105.42 A C\nATOM 2469 O ASP A1008 -0.178 46.451 17.524 1.00105.28 A O\nATOM 2470 CB ASP A1008 0.682 49.099 15.220 1.00123.41 A C\nATOM 2471 CG ASP A1008 -0.499 49.949 15.690 1.00120.55 A C\nATOM 2472 OD1 ASP A1008 -1.629 49.728 15.200 1.00 80.53 A O\nATOM 2473 OD2 ASP A1008 -0.301 50.839 16.547 1.00117.47 A O\nATOM 2474 N ASP A1009 -0.672 46.641 15.333 1.00102.23 A N\nATOM 2475 CA ASP A1009 -1.728 45.629 15.348 1.00100.67 A C\nATOM 2476 C ASP A1009 -1.355 44.501 14.390 1.00 93.72 A C\nATOM 2477 O ASP A1009 -1.402 44.671 13.165 1.00 74.22 A O\nATOM 2478 CB ASP A1009 -3.084 46.245 14.971 1.00101.82 A C\nATOM 2479 CG ASP A1009 -3.662 47.128 16.072 1.00113.32 A C\nATOM 2480 OD1 ASP A1009 -4.035 48.284 15.777 1.00104.40 A O\nATOM 2481 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C\nATOM 2498 C ASP A1012 0.619 34.932 12.495 1.00 74.28 A C\nATOM 2499 O ASP A1012 -0.485 34.665 12.006 1.00 66.35 A O\nATOM 2500 CB ASP A1012 0.493 34.703 14.996 1.00 81.42 A C\nATOM 2501 CG ASP A1012 1.685 33.798 15.237 1.00 99.02 A C\nATOM 2502 OD1 ASP A1012 2.690 34.271 15.810 1.00104.15 A O\nATOM 2503 OD2 ASP A1012 1.608 32.606 14.874 1.00101.05 A O\nATOM 2504 N ALA A1013 1.772 34.604 11.907 1.00 52.96 A N\nATOM 2505 CA ALA A1013 1.813 33.912 10.605 1.00 59.48 A C\nATOM 2506 C ALA A1013 1.024 32.597 10.556 1.00 67.96 A C\nATOM 2507 O ALA A1013 0.465 32.243 9.508 1.00 66.31 A O\nATOM 2508 CB ALA A1013 3.243 33.702 10.139 1.00 62.75 A C\nATOM 2509 N ASP A1014 0.985 31.884 11.684 1.00 59.70 A N\nATOM 2510 CA ASP A1014 0.200 30.654 11.812 1.00 74.24 A C\nATOM 2511 C ASP A1014 -1.300 30.913 11.667 1.00 74.57 A C\nATOM 2512 O ASP A1014 -2.018 30.130 11.040 1.00 82.55 A O\nATOM 2513 CB ASP A1014 0.476 29.981 13.160 1.00 83.80 A C\nATOM 2514 CG ASP A1014 1.930 29.578 13.328 1.00 86.76 A 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+ "data": "REMARK Name = =\nREMARK 7 active torsions:\nREMARK status: ('A' for Active; 'I' for Inactive)\nREMARK 1 A between atoms: C_1 and O_22\nREMARK 2 A between atoms: C_2 and O_23\nREMARK 3 A between atoms: N_11 and C_13\nREMARK 4 A between atoms: O_23 and C_24\nREMARK 5 A between atoms: C_24 and C_25\nREMARK 6 A between atoms: C_25 and C_26\nREMARK 7 A between atoms: C_26 and N_27\nREMARK x y z vdW Elec q Type\nREMARK _______ _______ _______ _____ _____ ______ ____\nROOT\nATOM 1 C UNL 1 15.942 33.841 11.718 0.00 0.00 +0.164 C \nATOM 2 C UNL 1 17.235 33.311 11.663 0.00 0.00 +0.163 C \nATOM 3 C UNL 1 17.938 33.112 12.856 0.00 0.00 +0.062 C \nATOM 4 C UNL 1 17.404 33.485 14.114 0.00 0.00 +0.044 C \nATOM 5 C UNL 1 16.113 34.016 14.159 0.00 0.00 +0.080 C \nATOM 6 C UNL 1 15.415 34.196 12.969 0.00 0.00 +0.078 C \nATOM 7 N UNL 1 15.506 34.346 15.301 0.00 0.00 -0.235 NA\nATOM 8 C UNL 1 16.179 34.113 16.433 0.00 0.00 +0.223 C \nATOM 9 N UNL 1 17.413 33.610 16.524 0.00 0.00 -0.220 NA\nATOM 10 C UNL 1 18.035 33.334 15.365 0.00 0.00 +0.134 C \nATOM 11 N UNL 1 19.352 32.875 15.523 0.00 0.00 -0.299 N \nATOM 12 H UNL 1 19.502 32.662 16.507 0.00 0.00 +0.154 HD\nENDROOT\nBRANCH 11 13\nATOM 13 C UNL 1 20.537 33.244 14.862 0.00 0.00 +0.034 C \nATOM 14 C UNL 1 21.365 32.236 14.348 0.00 0.00 +0.046 C \nATOM 15 C UNL 1 22.541 32.562 13.668 0.00 0.00 +0.078 C \nATOM 16 C UNL 1 22.905 33.897 13.514 0.00 0.00 +0.142 C \nATOM 17 C UNL 1 22.111 34.909 14.040 0.00 0.00 +0.041 C \nATOM 18 C UNL 1 20.930 34.582 14.712 0.00 0.00 +0.026 C \nATOM 19 F UNL 1 24.022 34.234 12.852 0.00 0.00 -0.204 F \nATOM 20 CL UNL 1 23.516 31.306 13.011 0.00 0.00 -0.081 Cl\nENDBRANCH 11 13\nBRANCH 1 22\nATOM 21 C UNL 1 15.627 35.056 9.688 0.00 0.00 +0.277 C \nATOM 22 O UNL 1 15.246 33.982 10.545 0.00 0.00 -0.491 OA\nENDBRANCH 1 22\nBRANCH 2 23\nATOM 23 O UNL 1 17.934 32.894 10.562 0.00 0.00 -0.488 OA\nBRANCH 23 24\nATOM 24 C UNL 1 17.607 31.626 10.005 0.00 0.00 +0.234 C \nBRANCH 24 25\nATOM 25 C UNL 1 17.330 31.854 8.519 0.00 0.00 +0.092 C \nBRANCH 25 26\nATOM 26 C UNL 1 15.853 31.665 8.210 0.00 0.00 +0.134 C \nBRANCH 26 27\nATOM 27 N UNL 1 15.515 30.270 7.739 0.00 0.00 +0.239 N \nATOM 28 C UNL 1 14.049 30.062 7.363 0.00 0.00 +0.160 C \nATOM 29 C UNL 1 13.816 28.575 7.062 0.00 0.00 +0.210 C \nATOM 30 O UNL 1 14.686 28.118 6.020 0.00 0.00 -0.369 OA\nATOM 31 C UNL 1 16.069 28.263 6.366 0.00 0.00 +0.210 C \nATOM 32 C UNL 1 16.417 29.734 6.631 0.00 0.00 +0.160 C \nATOM 33 H UNL 1 15.682 29.663 8.553 0.00 0.00 +0.203 HD\nENDBRANCH 26 27\nENDBRANCH 25 26\nENDBRANCH 24 25\nENDBRANCH 23 24\nENDBRANCH 2 23\nTORSDOF 7\n",
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@@ -57504,31 +62064,32 @@
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@@ -57578,105 +62139,28 @@
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@@ -57885,7 +62294,7 @@
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@@ -57958,7 +62367,7 @@
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@@ -57966,13 +62375,9 @@
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@@ -58019,34 +62415,20 @@
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},
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+ "diffuse": 16777215,
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@@ -58096,31 +62465,21 @@
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@@ -58128,24 +62487,15 @@
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@@ -58167,34 +62517,20 @@
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@@ -58202,27 +62538,14 @@
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@@ -58244,31 +62567,21 @@
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@@ -58276,24 +62589,15 @@
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@@ -58315,34 +62619,20 @@
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},
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@@ -58350,27 +62640,14 @@
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@@ -58392,29 +62669,23 @@
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