diff --git a/test/conftest.py b/test/conftest.py index 09b7804..16e38fd 100644 --- a/test/conftest.py +++ b/test/conftest.py @@ -10,4 +10,4 @@ def data_dir() -> Path: @pytest.fixture(scope="session") def example_pdb_file(data_dir: Path) -> Path: - return data_dir / "rsEGFP2_dark_no-chromophore.pdb" + return data_dir / "8a6g.pdb" diff --git a/test/data/8a6g.pdb b/test/data/8a6g.pdb new file mode 100644 index 0000000..91af20a --- /dev/null +++ b/test/data/8a6g.pdb @@ -0,0 +1,2712 @@ +HEADER FLUORESCENT PROTEIN 17-JUN-22 8A6G +TITLE ROOM TEMPERATURE RSEGFP2 WITH A CHLORINATED CHROMOPHORE IN THE NON- +TITLE 2 FLUORESCENT OFF-STATE +COMPND MOL_ID: 1; +COMPND 2 MOLECULE: GREEN FLUORESCENT PROTEIN; +COMPND 3 CHAIN: A; +COMPND 4 ENGINEERED: YES +SOURCE MOL_ID: 1; +SOURCE 2 ORGANISM_SCIENTIFIC: AEQUOREA VICTORIA; +SOURCE 3 ORGANISM_TAXID: 6100; +SOURCE 4 GENE: GFP; +SOURCE 5 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); +SOURCE 6 EXPRESSION_SYSTEM_TAXID: 469008 +KEYWDS GFP-LIKE PROTEIN, BETA-BARREL, BIOLUMINESCENCE, FLUORESCENT PROTEIN +EXPDTA X-RAY DIFFRACTION +AUTHOR A.FADINI,J.VAN THOR +REVDAT 3 07-FEB-24 8A6G 1 REMARK +REVDAT 2 02-AUG-23 8A6G 1 JRNL +REVDAT 1 19-JUL-23 8A6G 0 +JRNL AUTH A.FADINI,C.D.M.HUTCHISON,D.MOROZOV,J.CHANG,K.MAGHLAOUI, +JRNL AUTH 2 S.PERRETT,F.LUO,J.C.X.KHO,M.G.ROMEI,R.M.L.MORGAN,C.M.ORR, +JRNL AUTH 3 V.CORDON-PRECIADO,T.FUJIWARA,N.NUEMKET,T.TOSHA,R.TANAKA, +JRNL AUTH 4 S.OWADA,K.TONO,S.IWATA,S.G.BOXER,G.GROENHOF,E.NANGO, +JRNL AUTH 5 J.J.VAN THOR +JRNL TITL SERIAL FEMTOSECOND CRYSTALLOGRAPHY REVEALS THAT +JRNL TITL 2 PHOTOACTIVATION IN A FLUORESCENT PROTEIN PROCEEDS VIA THE +JRNL TITL 3 HULA TWIST MECHANISM. +JRNL REF J.AM.CHEM.SOC. V. 145 15796 2023 +JRNL REFN ESSN 1520-5126 +JRNL PMID 37418747 +JRNL DOI 10.1021/JACS.3C02313 +REMARK 2 +REMARK 2 RESOLUTION. 1.63 ANGSTROMS. +REMARK 3 +REMARK 3 REFINEMENT. +REMARK 3 PROGRAM : PHENIX 1.15.2_3472 +REMARK 3 AUTHORS : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN +REMARK 3 : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE, +REMARK 3 : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER, +REMARK 3 : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY, +REMARK 3 : REETAL PAI,RANDY READ,JANE RICHARDSON, +REMARK 3 : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI, +REMARK 3 : NICHOLAS SAUTER,JACOB SMITH,LAURENT +REMARK 3 : STORONI,TOM TERWILLIGER,PETER ZWART +REMARK 3 +REMARK 3 REFINEMENT TARGET : ML +REMARK 3 +REMARK 3 DATA USED IN REFINEMENT. +REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 1.63 +REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 31.46 +REMARK 3 MIN(FOBS/SIGMA_FOBS) : 1.440 +REMARK 3 COMPLETENESS FOR RANGE (%) : 100.0 +REMARK 3 NUMBER OF REFLECTIONS : 30141 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT. +REMARK 3 R VALUE (WORKING + TEST SET) : 0.157 +REMARK 3 R VALUE (WORKING SET) : 0.155 +REMARK 3 FREE R VALUE : 0.195 +REMARK 3 FREE R VALUE TEST SET SIZE (%) : 5.010 +REMARK 3 FREE R VALUE TEST SET COUNT : 1510 +REMARK 3 +REMARK 3 FIT TO DATA USED IN REFINEMENT (IN BINS). +REMARK 3 BIN RESOLUTION RANGE COMPL. NWORK NFREE RWORK RFREE +REMARK 3 1 31.4550 - 3.6234 1.00 2766 149 0.1390 0.1513 +REMARK 3 2 3.6234 - 2.8766 1.00 2659 120 0.1410 0.1862 +REMARK 3 3 2.8766 - 2.5132 1.00 2612 150 0.1608 0.2166 +REMARK 3 4 2.5132 - 2.2835 1.00 2614 128 0.1546 0.2024 +REMARK 3 5 2.2835 - 2.1198 1.00 2581 144 0.1499 0.2159 +REMARK 3 6 2.1198 - 1.9949 1.00 2581 128 0.1560 0.1897 +REMARK 3 7 1.9949 - 1.8950 1.00 2580 141 0.1546 0.2053 +REMARK 3 8 1.8950 - 1.8125 1.00 2538 137 0.1698 0.2472 +REMARK 3 9 1.8125 - 1.7427 1.00 2579 136 0.2097 0.2651 +REMARK 3 10 1.7427 - 1.6826 1.00 2555 144 0.2460 0.2992 +REMARK 3 11 1.6826 - 1.6300 1.00 2566 133 0.2772 0.3122 +REMARK 3 +REMARK 3 BULK SOLVENT MODELLING. +REMARK 3 METHOD USED : FLAT BULK SOLVENT MODEL +REMARK 3 SOLVENT RADIUS : 1.11 +REMARK 3 SHRINKAGE RADIUS : 0.90 +REMARK 3 K_SOL : NULL +REMARK 3 B_SOL : NULL +REMARK 3 +REMARK 3 ERROR ESTIMATES. +REMARK 3 COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED) : 0.220 +REMARK 3 PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 19.520 +REMARK 3 +REMARK 3 B VALUES. +REMARK 3 FROM WILSON PLOT (A**2) : NULL +REMARK 3 MEAN B VALUE (OVERALL, A**2) : 28.51 +REMARK 3 OVERALL ANISOTROPIC B VALUE. +REMARK 3 B11 (A**2) : NULL +REMARK 3 B22 (A**2) : NULL +REMARK 3 B33 (A**2) : NULL +REMARK 3 B12 (A**2) : NULL +REMARK 3 B13 (A**2) : NULL +REMARK 3 B23 (A**2) : NULL +REMARK 3 +REMARK 3 TWINNING INFORMATION. +REMARK 3 FRACTION: NULL +REMARK 3 OPERATOR: NULL +REMARK 3 +REMARK 3 DEVIATIONS FROM IDEAL VALUES. +REMARK 3 RMSD COUNT +REMARK 3 BOND : NULL NULL +REMARK 3 ANGLE : NULL NULL +REMARK 3 CHIRALITY : NULL NULL +REMARK 3 PLANARITY : NULL NULL +REMARK 3 DIHEDRAL : NULL NULL +REMARK 3 +REMARK 3 TLS DETAILS +REMARK 3 NUMBER OF TLS GROUPS : NULL +REMARK 3 +REMARK 3 NCS DETAILS +REMARK 3 NUMBER OF NCS GROUPS : NULL +REMARK 3 +REMARK 3 OTHER REFINEMENT REMARKS: NULL +REMARK 4 +REMARK 4 8A6G COMPLIES WITH FORMAT V. 3.30, 13-JUL-11 +REMARK 100 +REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 20-JUN-22. +REMARK 100 THE DEPOSITION ID IS D_1292123748. +REMARK 200 +REMARK 200 EXPERIMENTAL DETAILS +REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION +REMARK 200 DATE OF DATA COLLECTION : 19-JUN-21 +REMARK 200 TEMPERATURE (KELVIN) : 293 +REMARK 200 PH : NULL +REMARK 200 NUMBER OF CRYSTALS USED : 1 +REMARK 200 +REMARK 200 SYNCHROTRON (Y/N) : N +REMARK 200 RADIATION SOURCE : FREE ELECTRON LASER +REMARK 200 BEAMLINE : BL3 +REMARK 200 X-RAY GENERATOR MODEL : SACLA BEAMLINE BL3 +REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M +REMARK 200 WAVELENGTH OR RANGE (A) : 1.18 +REMARK 200 MONOCHROMATOR : NULL +REMARK 200 OPTICS : NULL +REMARK 200 +REMARK 200 DETECTOR TYPE : CCD +REMARK 200 DETECTOR MANUFACTURER : MPCCD +REMARK 200 INTENSITY-INTEGRATION SOFTWARE : CRYSTFEL +REMARK 200 DATA SCALING SOFTWARE : CRYSTFEL +REMARK 200 +REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 30206 +REMARK 200 RESOLUTION RANGE HIGH (A) : 1.630 +REMARK 200 RESOLUTION RANGE LOW (A) : 31.460 +REMARK 200 REJECTION CRITERIA (SIGMA(I)) : NULL +REMARK 200 +REMARK 200 OVERALL. +REMARK 200 COMPLETENESS FOR RANGE (%) : 100.0 +REMARK 200 DATA REDUNDANCY : 474.0 +REMARK 200 R MERGE (I) : NULL +REMARK 200 R SYM (I) : NULL +REMARK 200 FOR THE DATA SET : 6.9730 +REMARK 200 +REMARK 200 IN THE HIGHEST RESOLUTION SHELL. +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.63 +REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 1.69 +REMARK 200 COMPLETENESS FOR SHELL (%) : NULL +REMARK 200 DATA REDUNDANCY IN SHELL : NULL +REMARK 200 R MERGE FOR SHELL (I) : NULL +REMARK 200 R SYM FOR SHELL (I) : NULL +REMARK 200 FOR SHELL : NULL +REMARK 200 +REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH +REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT +REMARK 200 SOFTWARE USED: PHENIX +REMARK 200 STARTING MODEL: 6PFT +REMARK 200 +REMARK 200 REMARK: NULL +REMARK 280 +REMARK 280 CRYSTAL +REMARK 280 SOLVENT CONTENT, VS (%): 39.85 +REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.04 +REMARK 280 +REMARK 280 CRYSTALLIZATION CONDITIONS: 1.3M AMMONIUM SULFATE, 100MM HEPES PH +REMARK 280 8.1, 20MM NACL, MICROBATCH, TEMPERATURE 293K +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY +REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21 +REMARK 290 +REMARK 290 SYMOP SYMMETRY +REMARK 290 NNNMMM OPERATOR +REMARK 290 1555 X,Y,Z +REMARK 290 2555 -X+1/2,-Y,Z+1/2 +REMARK 290 3555 -X,Y+1/2,-Z+1/2 +REMARK 290 4555 X+1/2,-Y+1/2,-Z +REMARK 290 +REMARK 290 WHERE NNN -> OPERATOR NUMBER +REMARK 290 MMM -> TRANSLATION VECTOR +REMARK 290 +REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS +REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM +REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY +REMARK 290 RELATED MOLECULES. +REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 25.99500 +REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 0.00000 +REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 36.01500 +REMARK 290 SMTRY1 3 -1.000000 0.000000 0.000000 0.00000 +REMARK 290 SMTRY2 3 0.000000 1.000000 0.000000 31.45500 +REMARK 290 SMTRY3 3 0.000000 0.000000 -1.000000 36.01500 +REMARK 290 SMTRY1 4 1.000000 0.000000 0.000000 25.99500 +REMARK 290 SMTRY2 4 0.000000 -1.000000 0.000000 31.45500 +REMARK 290 SMTRY3 4 0.000000 0.000000 -1.000000 0.00000 +REMARK 290 +REMARK 290 REMARK: NULL +REMARK 300 +REMARK 300 BIOMOLECULE: 1 +REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM +REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN +REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON +REMARK 300 BURIED SURFACE AREA. +REMARK 350 +REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN +REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE +REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS +REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND +REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. +REMARK 350 +REMARK 350 BIOMOLECULE: 1 +REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC +REMARK 350 APPLY THE FOLLOWING TO CHAINS: A +REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 +REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 +REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 +REMARK 465 +REMARK 465 MISSING RESIDUES +REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE +REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN +REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) +REMARK 465 +REMARK 465 M RES C SSSEQI +REMARK 465 MET A -12 +REMARK 465 ARG A -11 +REMARK 465 GLY A -10 +REMARK 465 SER A -9 +REMARK 465 HIS A -8 +REMARK 465 HIS A -7 +REMARK 465 HIS A -6 +REMARK 465 LEU A 232 +REMARK 465 GLY A 233 +REMARK 465 MET A 234 +REMARK 465 ASP A 235 +REMARK 465 GLU A 236 +REMARK 465 LEU A 237 +REMARK 465 TYR A 238 +REMARK 465 LYS A 239 +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT +REMARK 500 +REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. +REMARK 500 +REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE +REMARK 500 CE1 HIS A 149 O HOH A 302 1.19 +REMARK 500 NE2 HIS A 149 O HOH A 302 1.71 +REMARK 500 OH OHD A 68 O HOH A 304 2.10 +REMARK 500 +REMARK 500 REMARK: NULL +REMARK 500 +REMARK 500 GEOMETRY AND STEREOCHEMISTRY +REMARK 500 SUBTOPIC: TORSION ANGLES +REMARK 500 +REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: +REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; +REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). +REMARK 500 +REMARK 500 STANDARD TABLE: +REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) +REMARK 500 +REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- +REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 +REMARK 500 +REMARK 500 M RES CSSEQI PSI PHI +REMARK 500 ASP A 104 -157.96 -149.51 +REMARK 500 ILE A 137 -63.33 -91.62 +REMARK 500 HIS A 149 -173.13 -170.03 +REMARK 500 +REMARK 500 REMARK: NULL +DBREF 8A6G A 3 239 UNP P42212 GFP_AEQVI 2 238 +SEQADV 8A6G MET A -12 UNP P42212 INITIATING METHIONINE +SEQADV 8A6G ARG A -11 UNP P42212 EXPRESSION TAG +SEQADV 8A6G GLY A -10 UNP P42212 EXPRESSION TAG +SEQADV 8A6G SER A -9 UNP P42212 EXPRESSION TAG +SEQADV 8A6G HIS A -8 UNP P42212 EXPRESSION TAG +SEQADV 8A6G HIS A -7 UNP P42212 EXPRESSION TAG +SEQADV 8A6G HIS A -6 UNP P42212 EXPRESSION TAG +SEQADV 8A6G HIS A -5 UNP P42212 EXPRESSION TAG +SEQADV 8A6G HIS A -4 UNP P42212 EXPRESSION TAG +SEQADV 8A6G HIS A -3 UNP P42212 EXPRESSION TAG +SEQADV 8A6G THR A -2 UNP P42212 EXPRESSION TAG +SEQADV 8A6G ASP A -1 UNP P42212 EXPRESSION TAG +SEQADV 8A6G PRO A 0 UNP P42212 EXPRESSION TAG +SEQADV 8A6G MET A 1 UNP P42212 EXPRESSION TAG +SEQADV 8A6G VAL A 2 UNP P42212 EXPRESSION TAG +SEQADV 8A6G LEU A 65 UNP P42212 PHE 64 ENGINEERED MUTATION +SEQADV 8A6G OHD A 68 UNP P42212 SER 65 CHROMOPHORE +SEQADV 8A6G OHD A 68 UNP P42212 TYR 66 CHROMOPHORE +SEQADV 8A6G OHD A 68 UNP P42212 GLY 67 CHROMOPHORE +SEQADV 8A6G LEU A 70 UNP P42212 GLN 69 ENGINEERED MUTATION +SEQADV 8A6G SER A 164 UNP P42212 VAL 163 ENGINEERED MUTATION +SEQADV 8A6G LYS A 207 UNP P42212 ALA 206 ENGINEERED MUTATION +SEQADV 8A6G LEU A 232 UNP P42212 HIS 231 ENGINEERED MUTATION +SEQRES 1 A 250 MET ARG GLY SER HIS HIS HIS HIS HIS HIS THR ASP PRO +SEQRES 2 A 250 MET VAL SER LYS GLY GLU GLU LEU PHE THR GLY VAL VAL +SEQRES 3 A 250 PRO ILE LEU VAL GLU LEU ASP GLY ASP VAL ASN GLY HIS +SEQRES 4 A 250 LYS PHE SER VAL SER GLY GLU GLY GLU GLY ASP ALA THR +SEQRES 5 A 250 TYR GLY LYS LEU THR LEU LYS PHE ILE CYS THR THR GLY +SEQRES 6 A 250 LYS LEU PRO VAL PRO TRP PRO THR LEU VAL THR THR LEU +SEQRES 7 A 250 OHD VAL LEU CYS PHE SER ARG TYR PRO ASP HIS MET LYS +SEQRES 8 A 250 GLN HIS ASP PHE PHE LYS SER ALA MET PRO GLU GLY TYR +SEQRES 9 A 250 VAL GLN GLU ARG THR ILE PHE PHE LYS ASP ASP GLY ASN +SEQRES 10 A 250 TYR LYS THR ARG ALA GLU VAL LYS PHE GLU GLY ASP THR +SEQRES 11 A 250 LEU VAL ASN ARG ILE GLU LEU LYS GLY ILE ASP PHE LYS +SEQRES 12 A 250 GLU ASP GLY ASN ILE LEU GLY HIS LYS LEU GLU TYR ASN +SEQRES 13 A 250 TYR ASN SER HIS ASN VAL TYR ILE MET ALA ASP LYS GLN +SEQRES 14 A 250 LYS ASN GLY ILE LYS SER ASN PHE LYS ILE ARG HIS ASN +SEQRES 15 A 250 ILE GLU ASP GLY SER VAL GLN LEU ALA ASP HIS TYR GLN +SEQRES 16 A 250 GLN ASN THR PRO ILE GLY ASP GLY PRO VAL LEU LEU PRO +SEQRES 17 A 250 ASP ASN HIS TYR LEU SER THR GLN SER LYS LEU SER LYS +SEQRES 18 A 250 ASP PRO ASN GLU LYS ARG ASP HIS MET VAL LEU LEU GLU +SEQRES 19 A 250 PHE VAL THR ALA ALA GLY ILE THR LEU GLY MET ASP GLU +SEQRES 20 A 250 LEU TYR LYS +MODRES 8A6G OHD A 68 SER CHROMOPHORE +MODRES 8A6G OHD A 68 TYR CHROMOPHORE +MODRES 8A6G OHD A 68 GLY CHROMOPHORE +HET OHD A 68 63 +HETNAM OHD {(4Z)-2-[(1S)-1-AMINOETHYL]-4-[(3-CHLORO-4- +HETNAM 2 OHD HYDROXYPHENYL)METHYLIDENE]-5-OXO-4,5-DIHYDRO-1H- +HETNAM 3 OHD IMIDAZOL-1-YL}ACETIC ACID +HETSYN OHD PEPTIDE DERIVED CHROMOPHORE +FORMUL 1 OHD C14 H14 CL N3 O4 +FORMUL 2 HOH *124(H2 O) +HELIX 1 AA1 ASP A -1 PHE A 9 1 11 +HELIX 2 AA2 PRO A 57 VAL A 62 5 6 +HELIX 3 AA3 VAL A 69 SER A 73 5 5 +HELIX 4 AA4 PRO A 76 HIS A 82 5 7 +HELIX 5 AA5 ASP A 83 ALA A 88 1 6 +SHEET 1 AA112 VAL A 13 VAL A 23 0 +SHEET 2 AA112 HIS A 26 ASP A 37 -1 O PHE A 28 N GLY A 21 +SHEET 3 AA112 LYS A 42 CYS A 49 -1 O LYS A 42 N ASP A 37 +SHEET 4 AA112 HIS A 218 ALA A 228 -1 O LEU A 221 N LEU A 45 +SHEET 5 AA112 HIS A 200 SER A 209 -1 N SER A 203 O THR A 226 +SHEET 6 AA112 HIS A 149 ASP A 156 -1 N ILE A 153 O HIS A 200 +SHEET 7 AA112 GLY A 161 ASN A 171 -1 O GLY A 161 N ASP A 156 +SHEET 8 AA112 VAL A 177 PRO A 188 -1 O HIS A 182 N PHE A 166 +SHEET 9 AA112 TYR A 93 PHE A 101 -1 N VAL A 94 O THR A 187 +SHEET 10 AA112 ASN A 106 GLU A 116 -1 O TYR A 107 N ILE A 99 +SHEET 11 AA112 THR A 119 ILE A 129 -1 O VAL A 121 N LYS A 114 +SHEET 12 AA112 VAL A 13 VAL A 23 1 N GLU A 18 O ILE A 124 +LINK C LEU A 65 N1 AOHD A 68 1555 1555 1.42 +LINK C LEU A 65 N1 BOHD A 68 1555 1555 1.43 +LINK C LEU A 65 N1 COHD A 68 1555 1555 1.43 +LINK C3 AOHD A 68 N VAL A 69 1555 1555 1.42 +LINK C3 BOHD A 68 N VAL A 69 1555 1555 1.43 +LINK C3 COHD A 68 N VAL A 69 1555 1555 1.43 +CISPEP 1 MET A 89 PRO A 90 0 4.86 +CRYST1 51.990 62.910 72.030 90.00 90.00 90.00 P 21 21 21 4 +ORIGX1 1.000000 0.000000 0.000000 0.00000 +ORIGX2 0.000000 1.000000 0.000000 0.00000 +ORIGX3 0.000000 0.000000 1.000000 0.00000 +SCALE1 0.019234 0.000000 0.000000 0.00000 +SCALE2 0.000000 0.015896 0.000000 0.00000 +SCALE3 0.000000 0.000000 0.013883 0.00000 +ATOM 1 N HIS A -5 -19.513 26.466 -8.987 0.85 60.15 N +ATOM 2 CA HIS A -5 -19.770 27.892 -8.797 0.85 62.38 C +ATOM 3 C HIS A -5 -19.360 28.705 -10.039 0.85 58.99 C +ATOM 4 O HIS A -5 -19.984 29.725 -10.325 0.85 56.53 O +ATOM 5 CB HIS A -5 -19.045 28.426 -7.546 0.85 62.62 C +ATOM 6 CG HIS A -5 -19.852 28.352 -6.281 0.85 70.45 C +ATOM 7 ND1 HIS A -5 -19.391 28.845 -5.076 0.85 76.27 N +ATOM 8 CD2 HIS A -5 -21.086 27.848 -6.030 0.85 78.42 C +ATOM 9 CE1 HIS A -5 -20.300 28.641 -4.137 0.85 69.36 C +ATOM 10 NE2 HIS A -5 -21.340 28.039 -4.689 0.85 72.71 N +ATOM 11 N HIS A -4 -18.331 28.260 -10.772 0.72 42.05 N +ATOM 12 CA HIS A -4 -17.906 28.951 -11.995 0.72 45.51 C +ATOM 13 C HIS A -4 -17.289 27.936 -12.953 0.72 32.50 C +ATOM 14 O HIS A -4 -16.161 27.483 -12.736 0.72 30.96 O +ATOM 15 CB HIS A -4 -16.909 30.059 -11.676 0.72 48.51 C +ATOM 16 CG HIS A -4 -16.446 30.831 -12.866 0.72 55.73 C +ATOM 17 ND1 HIS A -4 -17.176 30.909 -14.032 0.72 54.42 N +ATOM 18 CD2 HIS A -4 -15.323 31.569 -13.068 0.72 49.09 C +ATOM 19 CE1 HIS A -4 -16.520 31.653 -14.906 0.72 67.66 C +ATOM 20 NE2 HIS A -4 -15.391 32.063 -14.348 0.72 67.91 N +ATOM 21 N AHIS A -3 -18.026 27.616 -14.029 0.46 38.62 N +ATOM 22 N BHIS A -3 -18.034 27.569 -13.999 0.20 38.63 N +ATOM 23 N CHIS A -3 -18.047 27.552 -13.980 0.34 38.64 N +ATOM 24 CA AHIS A -3 -17.608 26.666 -15.048 0.46 39.16 C +ATOM 25 CA BHIS A -3 -17.546 26.669 -15.033 0.20 39.11 C +ATOM 26 CA CHIS A -3 -17.531 26.703 -15.037 0.34 39.11 C +ATOM 27 C AHIS A -3 -17.911 27.241 -16.425 0.46 36.00 C +ATOM 28 C BHIS A -3 -17.875 27.263 -16.396 0.20 36.04 C +ATOM 29 C CHIS A -3 -17.801 27.382 -16.373 0.34 36.10 C +ATOM 30 O AHIS A -3 -18.962 27.852 -16.633 0.46 38.14 O +ATOM 31 O BHIS A -3 -18.915 27.905 -16.568 0.20 38.15 O +ATOM 32 O CHIS A -3 -18.711 28.207 -16.499 0.34 37.01 O +ATOM 33 CB AHIS A -3 -18.309 25.306 -14.843 0.46 35.22 C +ATOM 34 CB BHIS A -3 -18.158 25.257 -14.895 0.20 35.63 C +ATOM 35 CB CHIS A -3 -18.156 25.285 -15.009 0.34 35.61 C +ATOM 36 CG AHIS A -3 -17.976 24.687 -13.528 0.46 28.70 C +ATOM 37 CG BHIS A -3 -17.183 24.153 -15.169 0.20 40.70 C +ATOM 38 CG CHIS A -3 -17.344 24.262 -15.744 0.34 39.59 C +ATOM 39 ND1AHIS A -3 -18.830 24.730 -12.446 0.46 43.07 N +ATOM 40 ND1BHIS A -3 -17.220 23.392 -16.318 0.20 39.31 N +ATOM 41 ND1CHIS A -3 -17.439 24.077 -17.106 0.34 32.94 N +ATOM 42 CD2AHIS A -3 -16.835 24.106 -13.088 0.46 31.42 C +ATOM 43 CD2BHIS A -3 -16.129 23.698 -14.449 0.20 35.04 C +ATOM 44 CD2CHIS A -3 -16.395 23.396 -15.312 0.34 42.56 C +ATOM 45 CE1AHIS A -3 -18.243 24.165 -11.405 0.46 25.81 C +ATOM 46 CE1BHIS A -3 -16.238 22.506 -16.287 0.20 43.67 C +ATOM 47 CE1CHIS A -3 -16.606 23.125 -17.481 0.34 28.51 C +ATOM 48 NE2AHIS A -3 -17.033 23.781 -11.768 0.46 36.37 N +ATOM 49 NE2BHIS A -3 -15.556 22.677 -15.167 0.20 36.78 N +ATOM 50 NE2CHIS A -3 -15.958 22.695 -16.412 0.34 47.23 N +ATOM 51 N ATHR A -2 -16.984 27.050 -17.365 0.70 30.04 N +ATOM 52 N BTHR A -2 -16.961 27.073 -17.351 0.30 30.04 N +ATOM 53 CA ATHR A -2 -17.143 27.679 -18.671 0.70 29.57 C +ATOM 54 CA BTHR A -2 -17.101 27.670 -18.707 0.30 29.57 C +ATOM 55 C ATHR A -2 -18.167 26.947 -19.517 0.70 37.47 C +ATOM 56 C BTHR A -2 -18.175 26.945 -19.521 0.30 37.47 C +ATOM 57 O ATHR A -2 -18.514 27.421 -20.618 0.70 35.19 O +ATOM 58 O BTHR A -2 -18.739 27.582 -20.429 0.30 35.19 O +ATOM 59 CB ATHR A -2 -15.821 27.736 -19.444 0.70 45.01 C +ATOM 60 CB BTHR A -2 -15.746 27.620 -19.431 0.30 45.01 C +ATOM 61 OG1ATHR A -2 -15.399 26.400 -19.738 0.70 41.52 O +ATOM 62 OG1BTHR A -2 -14.736 28.079 -18.531 0.30 41.52 O +ATOM 63 CG2ATHR A -2 -14.742 28.472 -18.630 0.70 36.37 C +ATOM 64 CG2BTHR A -2 -15.688 28.468 -20.683 0.30 36.37 C +ATOM 65 N ASP A -1 -18.629 25.788 -19.043 1.00 28.74 N +ATOM 66 CA ASP A -1 -19.608 25.005 -19.801 1.00 26.52 C +ATOM 67 C ASP A -1 -20.966 25.175 -19.154 1.00 27.12 C +ATOM 68 O ASP A -1 -21.157 24.754 -17.985 1.00 28.41 O +ATOM 69 CB ASP A -1 -19.191 23.526 -19.782 1.00 29.66 C +ATOM 70 CG ASP A -1 -20.114 22.632 -20.580 1.00 36.71 C +ATOM 71 OD1 ASP A -1 -21.311 22.946 -20.744 1.00 31.01 O +ATOM 72 OD2 ASP A -1 -19.618 21.580 -21.010 1.00 35.58 O1- +ATOM 73 N PRO A 0 -21.940 25.777 -19.833 1.00 25.25 N +ATOM 74 CA PRO A 0 -23.223 26.051 -19.162 1.00 26.55 C +ATOM 75 C PRO A 0 -24.006 24.792 -18.828 1.00 30.90 C +ATOM 76 O PRO A 0 -24.897 24.835 -17.948 1.00 28.07 O +ATOM 77 CB PRO A 0 -23.995 26.936 -20.173 1.00 26.49 C +ATOM 78 CG PRO A 0 -23.166 27.033 -21.416 1.00 30.41 C +ATOM 79 CD PRO A 0 -21.785 26.428 -21.159 1.00 25.45 C +ATOM 80 N MET A 1 -23.697 23.683 -19.490 1.00 27.30 N +ATOM 81 CA MET A 1 -24.345 22.424 -19.144 1.00 30.52 C +ATOM 82 C MET A 1 -23.846 21.925 -17.786 1.00 33.18 C +ATOM 83 O MET A 1 -24.635 21.504 -16.921 1.00 36.64 O +ATOM 84 CB MET A 1 -24.076 21.408 -20.260 1.00 33.93 C +ATOM 85 CG MET A 1 -24.546 19.997 -19.954 1.00 35.55 C +ATOM 86 SD MET A 1 -26.352 20.136 -19.967 1.00 55.56 S +ATOM 87 CE MET A 1 -26.690 18.421 -19.558 1.00 57.33 C +ATOM 88 N VAL A 2 -22.541 22.020 -17.552 1.00 30.32 N +ATOM 89 CA VAL A 2 -22.013 21.700 -16.226 1.00 30.88 C +ATOM 90 C VAL A 2 -22.603 22.634 -15.169 1.00 34.46 C +ATOM 91 O VAL A 2 -22.997 22.188 -14.083 1.00 34.49 O +ATOM 92 CB VAL A 2 -20.474 21.755 -16.231 1.00 32.72 C +ATOM 93 CG1 VAL A 2 -19.910 21.656 -14.768 1.00 32.27 C +ATOM 94 CG2 VAL A 2 -19.918 20.656 -17.109 1.00 34.38 C +ATOM 95 N SER A 3 -22.667 23.945 -15.456 1.00 29.61 N +ATOM 96 CA SER A 3 -23.215 24.874 -14.460 1.00 28.70 C +ATOM 97 C SER A 3 -24.618 24.469 -14.051 1.00 28.69 C +ATOM 98 O SER A 3 -25.003 24.609 -12.882 1.00 37.10 O +ATOM 99 CB SER A 3 -23.243 26.320 -14.971 1.00 30.90 C +ATOM 100 OG SER A 3 -22.016 26.616 -15.601 1.00 41.76 O +ATOM 101 N LYS A 4 -25.410 23.975 -15.001 1.00 29.84 N +ATOM 102 CA LYS A 4 -26.803 23.690 -14.672 1.00 26.50 C +ATOM 103 C LYS A 4 -26.918 22.602 -13.613 1.00 38.56 C +ATOM 104 O LYS A 4 -27.731 22.711 -12.681 1.00 32.73 O +ATOM 105 CB LYS A 4 -27.561 23.300 -15.952 1.00 28.37 C +ATOM 106 CG LYS A 4 -28.849 22.491 -15.679 1.00 37.42 C +ATOM 107 CD LYS A 4 -29.560 22.003 -16.979 1.00 53.84 C +ATOM 108 CE LYS A 4 -29.076 20.619 -17.487 1.00 76.29 C +ATOM 109 NZ LYS A 4 -29.322 19.443 -16.571 1.00 50.85 N +ATOM 110 N GLY A 5 -26.100 21.545 -13.733 1.00 34.18 N +ATOM 111 CA GLY A 5 -26.098 20.450 -12.762 1.00 28.90 C +ATOM 112 C GLY A 5 -25.430 20.784 -11.459 1.00 33.07 C +ATOM 113 O GLY A 5 -25.941 20.444 -10.383 1.00 36.23 O +ATOM 114 N GLU A 6 -24.316 21.507 -11.522 1.00 30.70 N +ATOM 115 CA GLU A 6 -23.674 21.885 -10.282 1.00 35.95 C +ATOM 116 C GLU A 6 -24.610 22.717 -9.451 1.00 36.73 C +ATOM 117 O GLU A 6 -24.644 22.575 -8.228 1.00 38.57 O +ATOM 118 CB GLU A 6 -22.362 22.629 -10.553 1.00 40.50 C +ATOM 119 CG GLU A 6 -21.377 21.775 -11.392 1.00 34.07 C +ATOM 120 CD GLU A 6 -20.906 20.485 -10.682 1.00 47.83 C +ATOM 121 OE1 GLU A 6 -20.548 20.568 -9.479 1.00 40.71 O +ATOM 122 OE2 GLU A 6 -20.873 19.399 -11.329 1.00 49.01 O1- +ATOM 123 N GLU A 7 -25.422 23.570 -10.105 1.00 31.30 N +ATOM 124 CA GLU A 7 -26.195 24.537 -9.343 1.00 31.05 C +ATOM 125 C GLU A 7 -27.177 23.836 -8.420 1.00 29.53 C +ATOM 126 O GLU A 7 -27.473 24.345 -7.339 1.00 36.56 O +ATOM 127 CB GLU A 7 -26.923 25.486 -10.291 1.00 32.45 C +ATOM 128 CG GLU A 7 -28.131 26.139 -9.696 1.00 54.87 C +ATOM 129 CD GLU A 7 -28.570 27.371 -10.460 1.00 84.53 C +ATOM 130 OE1 GLU A 7 -28.052 27.584 -11.587 1.00 95.24 O +ATOM 131 OE2 GLU A 7 -29.429 28.120 -9.923 1.00 76.59 O1- +ATOM 132 N LEU A 8 -27.701 22.677 -8.782 1.00 27.56 N +ATOM 133 CA LEU A 8 -28.694 21.954 -7.963 1.00 25.56 C +ATOM 134 C LEU A 8 -28.045 21.260 -6.752 1.00 31.22 C +ATOM 135 O LEU A 8 -28.753 20.951 -5.837 1.00 30.36 O +ATOM 136 CB LEU A 8 -29.383 20.942 -8.873 1.00 28.19 C +ATOM 137 CG LEU A 8 -30.255 21.514 -9.980 1.00 31.68 C +ATOM 138 CD1 LEU A 8 -30.764 20.402 -10.865 1.00 34.08 C +ATOM 139 CD2 LEU A 8 -31.415 22.284 -9.384 1.00 43.44 C +ATOM 140 N PHE A 9 -26.741 21.104 -6.764 1.00 27.48 N +ATOM 141 CA PHE A 9 -26.031 20.347 -5.718 1.00 26.59 C +ATOM 142 C PHE A 9 -25.045 21.235 -4.969 1.00 31.65 C +ATOM 143 O PHE A 9 -24.205 20.704 -4.301 1.00 34.34 O +ATOM 144 CB PHE A 9 -25.394 19.112 -6.335 1.00 25.59 C +ATOM 145 CG PHE A 9 -26.394 18.084 -6.768 1.00 24.27 C +ATOM 146 CD1 PHE A 9 -26.820 17.101 -5.897 1.00 22.30 C +ATOM 147 CD2 PHE A 9 -26.917 18.115 -8.045 1.00 21.80 C +ATOM 148 CE1 PHE A 9 -27.754 16.169 -6.301 1.00 21.19 C +ATOM 149 CE2 PHE A 9 -27.845 17.178 -8.444 1.00 20.29 C +ATOM 150 CZ PHE A 9 -28.256 16.207 -7.572 1.00 19.45 C +ATOM 151 N THR A 10 -25.183 22.551 -5.062 0.80 36.77 N +ATOM 152 CA THR A 10 -24.216 23.504 -4.461 0.80 51.58 C +ATOM 153 C THR A 10 -24.208 23.486 -2.924 0.80 33.34 C +ATOM 154 O THR A 10 -23.170 23.806 -2.347 0.80 58.09 O +ATOM 155 CB THR A 10 -24.466 24.944 -4.948 0.80 46.72 C +ATOM 156 OG1 THR A 10 -25.853 25.254 -4.858 0.80 45.29 O +ATOM 157 CG2 THR A 10 -23.952 25.159 -6.350 0.80 47.70 C +ATOM 158 N GLY A 11 -25.299 23.204 -2.280 1.00 38.50 N +ATOM 159 CA GLY A 11 -25.213 23.100 -0.818 1.00 33.70 C +ATOM 160 C GLY A 11 -25.614 21.740 -0.255 1.00 35.65 C +ATOM 161 O GLY A 11 -25.309 20.790 -0.850 1.00 35.54 O +ATOM 162 N VAL A 12 -26.187 21.732 0.921 1.00 26.42 N +ATOM 163 CA VAL A 12 -26.666 20.490 1.555 1.00 22.18 C +ATOM 164 C VAL A 12 -28.085 20.241 1.047 1.00 28.20 C +ATOM 165 O VAL A 12 -28.884 21.142 1.113 1.00 27.80 O +ATOM 166 CB VAL A 12 -26.528 20.549 3.086 1.00 26.74 C +ATOM 167 CG1 VAL A 12 -27.176 19.382 3.786 1.00 30.55 C +ATOM 168 CG2 VAL A 12 -25.081 20.696 3.507 1.00 30.97 C +ATOM 169 N VAL A 13 -28.316 19.060 0.526 1.00 22.06 N +ATOM 170 CA VAL A 13 -29.617 18.714 -0.087 1.00 22.84 C +ATOM 171 C VAL A 13 -30.289 17.643 0.764 1.00 19.22 C +ATOM 172 O VAL A 13 -29.645 16.648 1.095 1.00 20.56 O +ATOM 173 CB VAL A 13 -29.422 18.222 -1.533 1.00 21.47 C +ATOM 174 CG1 VAL A 13 -30.751 17.738 -2.191 1.00 19.31 C +ATOM 175 CG2 VAL A 13 -28.756 19.307 -2.403 1.00 24.65 C +ATOM 176 N PRO A 14 -31.547 17.813 1.190 1.00 19.90 N +ATOM 177 CA PRO A 14 -32.217 16.753 1.936 1.00 18.51 C +ATOM 178 C PRO A 14 -32.560 15.579 1.008 1.00 19.40 C +ATOM 179 O PRO A 14 -32.820 15.735 -0.194 1.00 21.20 O +ATOM 180 CB PRO A 14 -33.525 17.426 2.472 1.00 21.02 C +ATOM 181 CG PRO A 14 -33.696 18.690 1.661 1.00 24.77 C +ATOM 182 CD PRO A 14 -32.359 19.063 1.049 1.00 24.14 C +ATOM 183 N ILE A 15 -32.523 14.395 1.594 1.00 18.70 N +ATOM 184 CA ILE A 15 -32.712 13.141 0.866 1.00 18.59 C +ATOM 185 C ILE A 15 -33.811 12.350 1.523 1.00 16.32 C +ATOM 186 O ILE A 15 -33.855 12.262 2.749 1.00 19.58 O +ATOM 187 CB ILE A 15 -31.418 12.278 0.890 1.00 18.55 C +ATOM 188 CG1 ILE A 15 -30.279 13.103 0.303 1.00 21.03 C +ATOM 189 CG2 ILE A 15 -31.700 10.923 0.167 1.00 18.23 C +ATOM 190 CD1 ILE A 15 -28.871 12.357 0.437 1.00 21.54 C +ATOM 191 N LEU A 16 -34.694 11.761 0.709 1.00 17.08 N +ATOM 192 CA ALEU A 16 -35.685 10.804 1.182 0.52 17.17 C +ATOM 193 CA BLEU A 16 -35.690 10.816 1.185 0.48 17.18 C +ATOM 194 C LEU A 16 -35.529 9.549 0.370 1.00 16.59 C +ATOM 195 O LEU A 16 -35.444 9.629 -0.865 1.00 19.53 O +ATOM 196 CB ALEU A 16 -37.139 11.276 1.002 0.52 18.57 C +ATOM 197 CB BLEU A 16 -37.130 11.375 1.028 0.48 18.57 C +ATOM 198 CG ALEU A 16 -37.549 12.465 1.804 0.52 19.96 C +ATOM 199 CG BLEU A 16 -38.304 10.575 1.572 0.48 20.97 C +ATOM 200 CD1ALEU A 16 -39.004 12.746 1.377 0.52 20.95 C +ATOM 201 CD1BLEU A 16 -38.297 10.767 3.086 0.48 22.79 C +ATOM 202 CD2ALEU A 16 -37.502 12.168 3.245 0.52 22.30 C +ATOM 203 CD2BLEU A 16 -39.601 11.198 1.015 0.48 24.74 C +ATOM 204 N VAL A 17 -35.503 8.389 1.056 1.00 17.51 N +ATOM 205 CA VAL A 17 -35.356 7.096 0.394 1.00 18.29 C +ATOM 206 C VAL A 17 -36.549 6.246 0.797 1.00 18.01 C +ATOM 207 O VAL A 17 -36.912 6.210 1.989 1.00 21.56 O +ATOM 208 CB VAL A 17 -34.052 6.385 0.801 1.00 18.73 C +ATOM 209 CG1 VAL A 17 -33.971 5.040 0.078 1.00 19.35 C +ATOM 210 CG2 VAL A 17 -32.859 7.315 0.461 1.00 20.55 C +ATOM 211 N AGLU A 18 -37.189 5.641 -0.203 0.65 17.32 N +ATOM 212 N BGLU A 18 -37.197 5.618 -0.173 0.35 17.54 N +ATOM 213 CA AGLU A 18 -38.307 4.720 0.006 0.65 16.89 C +ATOM 214 CA BGLU A 18 -38.329 4.755 0.144 0.35 16.85 C +ATOM 215 C AGLU A 18 -37.987 3.427 -0.690 0.65 18.30 C +ATOM 216 C BGLU A 18 -38.182 3.473 -0.650 0.35 17.68 C +ATOM 217 O AGLU A 18 -37.653 3.434 -1.879 0.65 22.01 O +ATOM 218 O BGLU A 18 -38.036 3.509 -1.879 0.35 23.44 O +ATOM 219 CB AGLU A 18 -39.598 5.285 -0.625 0.65 19.90 C +ATOM 220 CB BGLU A 18 -39.667 5.454 -0.179 0.35 21.29 C +ATOM 221 CG AGLU A 18 -39.927 6.587 -0.060 0.65 26.07 C +ATOM 222 CG BGLU A 18 -39.852 6.777 0.552 0.35 29.29 C +ATOM 223 CD AGLU A 18 -41.235 7.114 -0.653 0.65 36.81 C +ATOM 224 CD BGLU A 18 -40.419 6.623 1.948 0.35 38.43 C +ATOM 225 OE1AGLU A 18 -41.194 7.615 -1.783 0.65 34.36 O +ATOM 226 OE1BGLU A 18 -41.157 5.641 2.190 0.35 49.11 O +ATOM 227 OE2AGLU A 18 -42.274 6.935 -0.005 0.65 38.83 O1- +ATOM 228 OE2BGLU A 18 -40.133 7.487 2.809 0.35 37.14 O1- +ATOM 229 N ALEU A 19 -38.114 2.321 0.009 0.70 18.20 N +ATOM 230 N BLEU A 19 -38.216 2.347 0.053 0.30 18.21 N +ATOM 231 CA ALEU A 19 -37.873 1.046 -0.632 0.70 16.38 C +ATOM 232 CA BLEU A 19 -37.879 1.050 -0.513 0.30 16.53 C +ATOM 233 C ALEU A 19 -39.034 0.160 -0.270 0.70 19.75 C +ATOM 234 C BLEU A 19 -39.011 0.083 -0.219 0.30 19.65 C +ATOM 235 O ALEU A 19 -39.379 0.053 0.905 0.70 22.17 O +ATOM 236 O BLEU A 19 -39.331 -0.151 0.948 0.30 21.98 O +ATOM 237 CB ALEU A 19 -36.546 0.415 -0.161 0.70 19.46 C +ATOM 238 CB BLEU A 19 -36.564 0.528 0.087 0.30 19.02 C +ATOM 239 CG ALEU A 19 -36.235 -0.966 -0.766 0.70 19.62 C +ATOM 240 CG BLEU A 19 -36.212 -0.931 -0.206 0.30 20.21 C +ATOM 241 CD1ALEU A 19 -34.673 -1.121 -0.964 0.70 20.40 C +ATOM 242 CD1BLEU A 19 -36.306 -1.219 -1.694 0.30 18.65 C +ATOM 243 CD2ALEU A 19 -36.781 -2.102 0.130 0.70 22.15 C +ATOM 244 CD2BLEU A 19 -34.816 -1.273 0.330 0.30 21.43 C +ATOM 245 N ASP A 20 -39.583 -0.509 -1.262 1.00 18.73 N +ATOM 246 CA AASP A 20 -40.545 -1.584 -1.050 0.69 18.33 C +ATOM 247 CA BASP A 20 -40.573 -1.572 -1.103 0.31 18.44 C +ATOM 248 C ASP A 20 -39.890 -2.853 -1.537 1.00 23.39 C +ATOM 249 O ASP A 20 -39.433 -2.912 -2.664 1.00 22.65 O +ATOM 250 CB AASP A 20 -41.812 -1.324 -1.845 0.69 20.93 C +ATOM 251 CB BASP A 20 -41.788 -1.289 -1.986 0.31 20.77 C +ATOM 252 CG AASP A 20 -42.691 -0.258 -1.212 0.69 32.09 C +ATOM 253 CG BASP A 20 -42.967 -2.186 -1.669 0.31 27.70 C +ATOM 254 OD1AASP A 20 -42.844 -0.201 0.052 0.69 31.38 O +ATOM 255 OD1BASP A 20 -43.516 -2.076 -0.556 0.31 38.55 O +ATOM 256 OD2AASP A 20 -43.263 0.507 -2.013 0.69 49.48 O1- +ATOM 257 OD2BASP A 20 -43.359 -2.979 -2.540 0.31 37.65 O1- +ATOM 258 N GLY A 21 -39.852 -3.856 -0.678 1.00 22.64 N +ATOM 259 CA GLY A 21 -39.072 -5.058 -0.953 1.00 21.23 C +ATOM 260 C GLY A 21 -39.856 -6.331 -0.758 1.00 23.77 C +ATOM 261 O GLY A 21 -40.766 -6.388 0.045 1.00 22.70 O +ATOM 262 N ASP A 22 -39.427 -7.367 -1.466 1.00 19.56 N +ATOM 263 CA ASP A 22 -40.002 -8.694 -1.261 1.00 21.35 C +ATOM 264 C ASP A 22 -38.848 -9.647 -1.481 1.00 22.81 C +ATOM 265 O ASP A 22 -38.306 -9.653 -2.569 1.00 24.76 O +ATOM 266 CB ASP A 22 -41.144 -8.921 -2.258 1.00 24.79 C +ATOM 267 CG ASP A 22 -41.722 -10.300 -2.177 1.00 34.50 C +ATOM 268 OD1 ASP A 22 -41.001 -11.240 -1.862 1.00 30.71 O +ATOM 269 OD2 ASP A 22 -42.926 -10.442 -2.436 1.00 41.33 O1- +ATOM 270 N VAL A 23 -38.403 -10.354 -0.439 1.00 21.82 N +ATOM 271 CA VAL A 23 -37.333 -11.323 -0.576 1.00 22.05 C +ATOM 272 C VAL A 23 -37.884 -12.669 -0.130 1.00 22.29 C +ATOM 273 O VAL A 23 -38.189 -12.852 1.048 1.00 24.23 O +ATOM 274 CB VAL A 23 -36.084 -10.948 0.249 1.00 25.58 C +ATOM 275 CG1 VAL A 23 -35.040 -12.066 0.138 1.00 22.52 C +ATOM 276 CG2 VAL A 23 -35.485 -9.675 -0.329 1.00 28.84 C +ATOM 277 N ASN A 24 -37.921 -13.619 -1.064 1.00 25.75 N +ATOM 278 CA ASN A 24 -38.451 -14.959 -0.809 1.00 26.43 C +ATOM 279 C ASN A 24 -39.819 -14.856 -0.121 1.00 34.69 C +ATOM 280 O ASN A 24 -40.087 -15.545 0.862 1.00 30.95 O +ATOM 281 CB ASN A 24 -37.508 -15.770 0.035 1.00 25.58 C +ATOM 282 CG ASN A 24 -36.367 -16.429 -0.779 1.00 28.90 C +ATOM 283 OD1 ASN A 24 -35.854 -15.879 -1.770 1.00 28.77 O +ATOM 284 ND2 ASN A 24 -35.940 -17.606 -0.323 1.00 33.77 N +ATOM 285 N GLY A 25 -40.629 -13.902 -0.576 1.00 29.05 N +ATOM 286 CA GLY A 25 -41.949 -13.666 -0.005 1.00 31.31 C +ATOM 287 C GLY A 25 -42.029 -12.949 1.341 1.00 34.00 C +ATOM 288 O GLY A 25 -43.145 -12.757 1.852 1.00 36.99 O +ATOM 289 N HIS A 26 -40.910 -12.560 1.947 1.00 23.70 N +ATOM 290 CA HIS A 26 -40.942 -11.658 3.097 1.00 22.63 C +ATOM 291 C HIS A 26 -41.034 -10.230 2.563 1.00 24.76 C +ATOM 292 O HIS A 26 -40.085 -9.733 1.929 1.00 25.56 O +ATOM 293 CB HIS A 26 -39.703 -11.817 3.965 1.00 23.96 C +ATOM 294 CG HIS A 26 -39.462 -13.210 4.456 1.00 36.65 C +ATOM 295 ND1 HIS A 26 -40.117 -13.731 5.556 1.00 41.17 N +ATOM 296 CD2 HIS A 26 -38.602 -14.178 4.028 1.00 35.40 C +ATOM 297 CE1 HIS A 26 -39.690 -14.965 5.773 1.00 43.67 C +ATOM 298 NE2 HIS A 26 -38.779 -15.262 4.857 1.00 47.87 N +ATOM 299 N LYS A 27 -42.179 -9.602 2.761 1.00 23.83 N +ATOM 300 CA LYS A 27 -42.423 -8.244 2.301 1.00 23.99 C +ATOM 301 C LYS A 27 -41.956 -7.278 3.379 1.00 26.31 C +ATOM 302 O LYS A 27 -42.149 -7.520 4.573 1.00 31.83 O +ATOM 303 CB LYS A 27 -43.919 -8.077 1.986 1.00 25.58 C +ATOM 304 CG LYS A 27 -44.303 -8.937 0.788 1.00 34.72 C +ATOM 305 CD LYS A 27 -45.791 -8.892 0.482 1.00 55.38 C +ATOM 306 CE LYS A 27 -46.158 -9.936 -0.590 1.00 64.15 C +ATOM 307 NZ LYS A 27 -45.488 -9.647 -1.920 1.00 56.26 N +ATOM 308 N PHE A 28 -41.265 -6.223 2.960 1.00 22.02 N +ATOM 309 CA PHE A 28 -40.788 -5.250 3.910 1.00 19.08 C +ATOM 310 C PHE A 28 -40.655 -3.904 3.223 1.00 21.83 C +ATOM 311 O PHE A 28 -40.661 -3.803 2.006 1.00 22.41 O +ATOM 312 CB PHE A 28 -39.445 -5.672 4.511 1.00 19.35 C +ATOM 313 CG PHE A 28 -38.325 -5.793 3.474 1.00 21.10 C +ATOM 314 CD1 PHE A 28 -38.155 -6.948 2.742 1.00 26.34 C +ATOM 315 CD2 PHE A 28 -37.424 -4.743 3.281 1.00 24.77 C +ATOM 316 CE1 PHE A 28 -37.099 -7.062 1.824 1.00 27.08 C +ATOM 317 CE2 PHE A 28 -36.389 -4.848 2.356 1.00 27.25 C +ATOM 318 CZ PHE A 28 -36.201 -5.983 1.650 1.00 25.20 C +ATOM 319 N SER A 29 -40.602 -2.871 4.039 1.00 18.35 N +ATOM 320 CA SER A 29 -40.420 -1.507 3.560 1.00 17.53 C +ATOM 321 C SER A 29 -39.368 -0.827 4.390 1.00 22.82 C +ATOM 322 O SER A 29 -39.260 -1.062 5.588 1.00 22.14 O +ATOM 323 CB SER A 29 -41.722 -0.685 3.662 1.00 22.64 C +ATOM 324 OG SER A 29 -42.711 -1.227 2.787 1.00 34.93 O +ATOM 325 N VAL A 30 -38.588 0.038 3.745 1.00 19.11 N +ATOM 326 CA VAL A 30 -37.592 0.834 4.460 1.00 18.43 C +ATOM 327 C VAL A 30 -37.814 2.276 4.080 1.00 20.06 C +ATOM 328 O VAL A 30 -38.080 2.587 2.918 1.00 21.68 O +ATOM 329 CB VAL A 30 -36.141 0.402 4.050 1.00 18.44 C +ATOM 330 CG1 VAL A 30 -35.058 1.429 4.544 1.00 20.08 C +ATOM 331 CG2 VAL A 30 -35.877 -1.018 4.634 1.00 24.44 C +ATOM 332 N ASER A 31 -37.642 3.163 5.054 0.46 18.86 N +ATOM 333 N CSER A 31 -37.675 3.162 5.047 0.54 18.97 N +ATOM 334 CA ASER A 31 -37.733 4.601 4.886 0.46 20.34 C +ATOM 335 CA CSER A 31 -37.686 4.587 4.806 0.54 20.10 C +ATOM 336 C ASER A 31 -36.419 5.194 5.360 0.46 23.05 C +ATOM 337 C CSER A 31 -36.359 5.123 5.299 0.54 23.21 C +ATOM 338 O ASER A 31 -35.947 4.841 6.436 0.46 23.83 O +ATOM 339 O CSER A 31 -35.812 4.629 6.282 0.54 23.90 O +ATOM 340 CB ASER A 31 -38.865 5.188 5.749 0.46 20.89 C +ATOM 341 CB CSER A 31 -38.832 5.285 5.560 0.54 21.36 C +ATOM 342 OG ASER A 31 -38.962 6.570 5.502 0.46 23.29 O +ATOM 343 OG CSER A 31 -40.038 4.964 4.903 0.54 25.07 O +ATOM 344 N GLY A 32 -35.828 6.086 4.585 1.00 18.97 N +ATOM 345 CA GLY A 32 -34.591 6.731 5.006 1.00 18.42 C +ATOM 346 C GLY A 32 -34.676 8.226 4.795 1.00 17.98 C +ATOM 347 O GLY A 32 -35.362 8.674 3.901 1.00 21.40 O +ATOM 348 N GLU A 33 -34.008 8.977 5.680 1.00 19.69 N +ATOM 349 CA GLU A 33 -33.931 10.424 5.641 1.00 19.19 C +ATOM 350 C GLU A 33 -32.490 10.844 5.921 1.00 17.28 C +ATOM 351 O GLU A 33 -31.792 10.223 6.739 1.00 20.21 O +ATOM 352 CB GLU A 33 -34.836 11.032 6.745 1.00 20.24 C +ATOM 353 CG GLU A 33 -36.241 10.647 6.484 1.00 26.02 C +ATOM 354 CD GLU A 33 -37.201 11.342 7.468 1.00 32.87 C +ATOM 355 OE1 GLU A 33 -36.750 12.186 8.226 1.00 34.48 O +ATOM 356 OE2 GLU A 33 -38.370 11.015 7.440 1.00 32.38 O1- +ATOM 357 N GLY A 34 -32.064 11.905 5.265 1.00 17.76 N +ATOM 358 CA GLY A 34 -30.749 12.439 5.621 1.00 17.94 C +ATOM 359 C GLY A 34 -30.401 13.576 4.688 1.00 21.84 C +ATOM 360 O GLY A 34 -31.283 14.269 4.178 1.00 21.87 O +ATOM 361 N GLU A 35 -29.112 13.781 4.464 1.00 18.34 N +ATOM 362 CA GLU A 35 -28.633 14.960 3.774 1.00 17.63 C +ATOM 363 C GLU A 35 -27.422 14.551 2.949 1.00 19.69 C +ATOM 364 O GLU A 35 -26.601 13.751 3.408 1.00 21.55 O +ATOM 365 CB GLU A 35 -28.138 16.042 4.758 1.00 30.16 C +ATOM 366 CG GLU A 35 -29.188 16.615 5.679 1.00 51.23 C +ATOM 367 CD GLU A 35 -28.563 17.660 6.592 1.00 33.76 C +ATOM 368 OE1 GLU A 35 -27.328 17.500 6.876 1.00 38.69 O +ATOM 369 OE2 GLU A 35 -29.270 18.624 6.939 1.00 53.28 O1- +ATOM 370 N GLY A 36 -27.269 15.215 1.811 1.00 19.50 N +ATOM 371 CA GLY A 36 -26.119 14.989 0.921 1.00 18.17 C +ATOM 372 C GLY A 36 -25.369 16.277 0.669 1.00 23.08 C +ATOM 373 O GLY A 36 -25.977 17.311 0.477 1.00 21.99 O +ATOM 374 N ASP A 37 -24.032 16.200 0.630 1.00 20.46 N +ATOM 375 CA ASP A 37 -23.237 17.397 0.335 1.00 21.19 C +ATOM 376 C ASP A 37 -22.231 17.026 -0.752 1.00 16.93 C +ATOM 377 O ASP A 37 -21.151 16.487 -0.435 1.00 20.63 O +ATOM 378 CB ASP A 37 -22.606 17.849 1.621 1.00 22.73 C +ATOM 379 CG ASP A 37 -21.877 19.166 1.465 1.00 35.84 C +ATOM 380 OD1 ASP A 37 -21.599 19.577 0.314 1.00 31.46 O +ATOM 381 OD2 ASP A 37 -21.569 19.755 2.498 1.00 39.59 O1- +ATOM 382 N ALA A 38 -22.605 17.268 -2.016 1.00 19.53 N +ATOM 383 CA ALA A 38 -21.771 16.809 -3.126 1.00 18.90 C +ATOM 384 C ALA A 38 -20.404 17.513 -3.137 1.00 19.04 C +ATOM 385 O ALA A 38 -19.465 16.950 -3.702 1.00 22.76 O +ATOM 386 CB ALA A 38 -22.469 17.055 -4.472 1.00 23.70 C +ATOM 387 N THR A 39 -20.287 18.680 -2.501 1.00 21.52 N +ATOM 388 CA THR A 39 -18.981 19.372 -2.446 1.00 21.57 C +ATOM 389 C THR A 39 -17.919 18.505 -1.811 1.00 21.20 C +ATOM 390 O THR A 39 -16.747 18.563 -2.207 1.00 25.24 O +ATOM 391 CB THR A 39 -19.128 20.674 -1.660 1.00 23.53 C +ATOM 392 OG1 THR A 39 -20.008 21.507 -2.383 1.00 33.00 O +ATOM 393 CG2 THR A 39 -17.764 21.432 -1.561 1.00 32.75 C +ATOM 394 N TYR A 40 -18.279 17.740 -0.776 1.00 21.71 N +ATOM 395 CA TYR A 40 -17.332 16.845 -0.128 1.00 21.22 C +ATOM 396 C TYR A 40 -17.587 15.390 -0.478 1.00 19.81 C +ATOM 397 O TYR A 40 -16.899 14.496 0.041 1.00 25.13 O +ATOM 398 CB TYR A 40 -17.391 16.987 1.391 1.00 21.70 C +ATOM 399 CG TYR A 40 -17.251 18.431 1.782 1.00 28.39 C +ATOM 400 CD1 TYR A 40 -16.036 19.057 1.677 1.00 28.69 C +ATOM 401 CD2 TYR A 40 -18.347 19.176 2.152 1.00 38.94 C +ATOM 402 CE1 TYR A 40 -15.900 20.376 1.994 1.00 28.16 C +ATOM 403 CE2 TYR A 40 -18.220 20.491 2.451 1.00 45.75 C +ATOM 404 CZ TYR A 40 -16.980 21.086 2.361 1.00 51.67 C +ATOM 405 OH TYR A 40 -16.803 22.403 2.678 1.00 66.19 O +ATOM 406 N GLY A 41 -18.568 15.118 -1.330 1.00 19.23 N +ATOM 407 CA GLY A 41 -18.859 13.727 -1.631 1.00 18.08 C +ATOM 408 C GLY A 41 -19.525 13.001 -0.481 1.00 19.20 C +ATOM 409 O GLY A 41 -19.453 11.766 -0.407 1.00 23.27 O +ATOM 410 N LYS A 42 -20.238 13.716 0.391 1.00 16.92 N +ATOM 411 CA LYS A 42 -20.626 13.158 1.690 1.00 19.91 C +ATOM 412 C LYS A 42 -22.131 12.951 1.793 1.00 21.01 C +ATOM 413 O LYS A 42 -22.931 13.841 1.461 1.00 21.04 O +ATOM 414 CB LYS A 42 -20.194 14.084 2.794 1.00 23.14 C +ATOM 415 CG LYS A 42 -20.482 13.631 4.232 1.00 26.03 C +ATOM 416 CD LYS A 42 -19.878 14.742 5.169 1.00 31.19 C +ATOM 417 CE LYS A 42 -19.947 14.425 6.652 1.00 46.20 C +ATOM 418 NZ LYS A 42 -19.227 15.479 7.449 1.00 41.43 N +ATOM 419 N LEU A 43 -22.483 11.764 2.304 1.00 17.21 N +ATOM 420 CA LEU A 43 -23.898 11.411 2.564 1.00 22.29 C +ATOM 421 C LEU A 43 -24.027 11.144 4.063 1.00 21.62 C +ATOM 422 O LEU A 43 -23.099 10.549 4.641 1.00 20.01 O +ATOM 423 CB LEU A 43 -24.215 10.120 1.814 1.00 26.14 C +ATOM 424 CG LEU A 43 -24.444 10.270 0.319 1.00 45.90 C +ATOM 425 CD1 LEU A 43 -24.900 8.950 -0.263 1.00 47.19 C +ATOM 426 CD2 LEU A 43 -25.482 11.339 0.067 1.00 61.35 C +ATOM 427 N THR A 44 -25.153 11.530 4.657 1.00 17.99 N +ATOM 428 CA ATHR A 44 -25.458 11.002 5.978 0.58 20.11 C +ATOM 429 CA BTHR A 44 -25.453 10.998 5.973 0.42 20.04 C +ATOM 430 C THR A 44 -26.920 10.620 5.976 1.00 19.63 C +ATOM 431 O THR A 44 -27.758 11.474 5.702 1.00 22.24 O +ATOM 432 CB ATHR A 44 -25.234 12.033 7.083 0.58 21.63 C +ATOM 433 CB BTHR A 44 -25.198 12.035 7.058 0.42 21.59 C +ATOM 434 OG1ATHR A 44 -25.858 13.299 6.755 0.58 20.41 O +ATOM 435 OG1BTHR A 44 -23.891 12.604 6.882 0.42 26.39 O +ATOM 436 CG2ATHR A 44 -23.758 12.161 7.353 0.58 20.98 C +ATOM 437 CG2BTHR A 44 -25.324 11.363 8.428 0.42 27.80 C +ATOM 438 N LEU A 45 -27.212 9.348 6.260 1.00 16.33 N +ATOM 439 CA LEU A 45 -28.593 8.862 6.174 1.00 17.74 C +ATOM 440 C LEU A 45 -28.904 7.979 7.351 1.00 18.06 C +ATOM 441 O LEU A 45 -28.077 7.219 7.831 1.00 21.70 O +ATOM 442 CB LEU A 45 -28.814 8.054 4.871 1.00 20.38 C +ATOM 443 CG LEU A 45 -28.764 8.912 3.590 1.00 24.73 C +ATOM 444 CD1 LEU A 45 -28.433 7.995 2.432 1.00 34.67 C +ATOM 445 CD2 LEU A 45 -30.111 9.473 3.351 1.00 26.87 C +ATOM 446 N LYS A 46 -30.172 8.001 7.783 1.00 17.37 N +ATOM 447 CA LYS A 46 -30.668 7.011 8.716 1.00 18.09 C +ATOM 448 C LYS A 46 -31.869 6.291 8.111 1.00 19.84 C +ATOM 449 O LYS A 46 -32.815 6.940 7.644 1.00 22.24 O +ATOM 450 CB LYS A 46 -31.135 7.694 10.021 1.00 21.70 C +ATOM 451 CG LYS A 46 -31.715 6.710 11.056 1.00 21.69 C +ATOM 452 CD LYS A 46 -32.068 7.426 12.342 1.00 23.17 C +ATOM 453 CE LYS A 46 -32.848 6.469 13.209 1.00 22.88 C +ATOM 454 NZ LYS A 46 -33.261 7.121 14.576 1.00 25.52 N +ATOM 455 N PHE A 47 -31.832 4.971 8.122 1.00 16.90 N +ATOM 456 CA PHE A 47 -32.861 4.133 7.518 1.00 19.19 C +ATOM 457 C PHE A 47 -33.610 3.409 8.612 1.00 18.41 C +ATOM 458 O PHE A 47 -32.984 2.929 9.555 1.00 22.26 O +ATOM 459 CB PHE A 47 -32.239 3.078 6.596 1.00 19.33 C +ATOM 460 CG PHE A 47 -31.475 3.722 5.472 1.00 17.52 C +ATOM 461 CD1 PHE A 47 -32.176 4.201 4.357 1.00 18.41 C +ATOM 462 CD2 PHE A 47 -30.078 3.846 5.526 1.00 19.18 C +ATOM 463 CE1 PHE A 47 -31.499 4.774 3.274 1.00 19.90 C +ATOM 464 CE2 PHE A 47 -29.423 4.475 4.454 1.00 20.42 C +ATOM 465 CZ PHE A 47 -30.160 4.926 3.317 1.00 20.50 C +ATOM 466 N ILE A 48 -34.913 3.234 8.429 1.00 17.94 N +ATOM 467 CA ILE A 48 -35.760 2.502 9.364 1.00 18.76 C +ATOM 468 C ILE A 48 -36.534 1.471 8.591 1.00 19.87 C +ATOM 469 O ILE A 48 -37.076 1.754 7.514 1.00 20.78 O +ATOM 470 CB ILE A 48 -36.792 3.453 10.056 1.00 20.94 C +ATOM 471 CG1 ILE A 48 -36.077 4.588 10.759 1.00 29.05 C +ATOM 472 CG2 ILE A 48 -37.653 2.706 11.008 1.00 25.36 C +ATOM 473 CD1 ILE A 48 -35.554 4.201 12.103 1.00 41.34 C +ATOM 474 N CYS A 49 -36.598 0.263 9.133 1.00 19.62 N +ATOM 475 CA CYS A 49 -37.519 -0.709 8.577 1.00 17.45 C +ATOM 476 C CYS A 49 -38.910 -0.455 9.170 1.00 19.25 C +ATOM 477 O CYS A 49 -39.088 -0.628 10.368 1.00 24.05 O +ATOM 478 CB CYS A 49 -37.058 -2.110 8.928 1.00 21.17 C +ATOM 479 SG CYS A 49 -38.199 -3.356 8.223 1.00 23.14 S +ATOM 480 N THR A 50 -39.841 -0.054 8.345 1.00 21.86 N +ATOM 481 CA THR A 50 -41.142 0.397 8.855 1.00 28.61 C +ATOM 482 C THR A 50 -42.141 -0.731 8.993 1.00 37.37 C +ATOM 483 O THR A 50 -43.266 -0.502 9.430 1.00 32.33 O +ATOM 484 CB THR A 50 -41.742 1.445 7.927 1.00 23.38 C +ATOM 485 OG1 THR A 50 -41.791 0.911 6.623 1.00 28.57 O +ATOM 486 CG2 THR A 50 -40.916 2.720 7.931 1.00 25.95 C +ATOM 487 N THR A 51 -41.785 -1.927 8.590 1.00 23.75 N +ATOM 488 CA THR A 51 -42.660 -3.089 8.720 1.00 23.58 C +ATOM 489 C THR A 51 -42.241 -4.021 9.846 1.00 29.97 C +ATOM 490 O THR A 51 -42.908 -5.025 10.057 1.00 35.24 O +ATOM 491 CB THR A 51 -42.724 -3.838 7.391 1.00 25.18 C +ATOM 492 OG1 THR A 51 -41.384 -4.130 6.867 1.00 25.41 O +ATOM 493 CG2 THR A 51 -43.433 -2.966 6.394 1.00 26.27 C +ATOM 494 N GLY A 52 -41.258 -3.661 10.637 1.00 27.62 N +ATOM 495 CA GLY A 52 -40.830 -4.477 11.753 1.00 28.75 C +ATOM 496 C GLY A 52 -39.358 -4.852 11.617 1.00 30.80 C +ATOM 497 O GLY A 52 -38.516 -3.968 11.424 1.00 29.63 O +ATOM 498 N LYS A 53 -39.025 -6.133 11.725 1.00 27.15 N +ATOM 499 CA LYS A 53 -37.638 -6.568 11.620 1.00 25.24 C +ATOM 500 C LYS A 53 -37.270 -6.719 10.147 1.00 25.14 C +ATOM 501 O LYS A 53 -38.026 -7.299 9.345 1.00 25.78 O +ATOM 502 CB LYS A 53 -37.480 -7.902 12.356 1.00 32.01 C +ATOM 503 CG LYS A 53 -36.099 -8.523 12.301 1.00 41.45 C +ATOM 504 CD LYS A 53 -36.013 -9.842 13.083 1.00 73.34 C +ATOM 505 CE LYS A 53 -36.912 -10.913 12.465 1.00 67.19 C +ATOM 506 NZ LYS A 53 -36.674 -11.049 10.983 1.00 78.93 N +ATOM 507 N LEU A 54 -36.106 -6.206 9.778 1.00 22.39 N +ATOM 508 CA LEU A 54 -35.680 -6.376 8.383 1.00 21.21 C +ATOM 509 C LEU A 54 -35.323 -7.851 8.152 1.00 23.14 C +ATOM 510 O LEU A 54 -34.553 -8.428 8.940 1.00 25.20 O +ATOM 511 CB LEU A 54 -34.475 -5.464 8.141 1.00 20.70 C +ATOM 512 CG LEU A 54 -34.054 -5.363 6.689 1.00 20.80 C +ATOM 513 CD1 LEU A 54 -35.051 -4.496 5.905 1.00 23.01 C +ATOM 514 CD2 LEU A 54 -32.636 -4.694 6.576 1.00 22.83 C +ATOM 515 N PRO A 55 -35.813 -8.476 7.083 1.00 22.71 N +ATOM 516 CA PRO A 55 -35.568 -9.914 6.882 1.00 22.63 C +ATOM 517 C PRO A 55 -34.242 -10.254 6.255 1.00 24.29 C +ATOM 518 O PRO A 55 -33.960 -11.462 6.130 1.00 26.56 O +ATOM 519 CB PRO A 55 -36.699 -10.357 5.951 1.00 26.68 C +ATOM 520 CG PRO A 55 -37.148 -9.149 5.278 1.00 27.88 C +ATOM 521 CD PRO A 55 -36.842 -7.955 6.180 1.00 24.19 C +ATOM 522 N VAL A 56 -33.455 -9.258 5.839 1.00 20.67 N +ATOM 523 CA VAL A 56 -32.130 -9.498 5.278 1.00 20.65 C +ATOM 524 C VAL A 56 -31.176 -8.587 6.030 1.00 21.11 C +ATOM 525 O VAL A 56 -31.613 -7.642 6.696 1.00 20.13 O +ATOM 526 CB VAL A 56 -32.084 -9.204 3.764 1.00 21.36 C +ATOM 527 CG1 VAL A 56 -33.013 -10.136 3.025 1.00 22.37 C +ATOM 528 CG2 VAL A 56 -32.448 -7.711 3.514 1.00 23.04 C +ATOM 529 N PRO A 57 -29.865 -8.812 5.938 1.00 20.09 N +ATOM 530 CA PRO A 57 -28.946 -7.962 6.698 1.00 17.95 C +ATOM 531 C PRO A 57 -28.838 -6.571 6.081 1.00 20.61 C +ATOM 532 O PRO A 57 -28.716 -6.438 4.864 1.00 19.64 O +ATOM 533 CB PRO A 57 -27.563 -8.701 6.593 1.00 16.99 C +ATOM 534 CG PRO A 57 -27.943 -10.102 6.384 1.00 21.50 C +ATOM 535 CD PRO A 57 -29.207 -10.068 5.497 1.00 25.48 C +ATOM 536 N TRP A 58 -28.791 -5.548 6.936 1.00 19.97 N +ATOM 537 CA TRP A 58 -28.659 -4.168 6.442 1.00 18.90 C +ATOM 538 C TRP A 58 -27.501 -3.980 5.460 1.00 18.69 C +ATOM 539 O TRP A 58 -27.651 -3.219 4.488 1.00 18.24 O +ATOM 540 CB TRP A 58 -28.441 -3.213 7.635 1.00 19.92 C +ATOM 541 CG TRP A 58 -29.733 -2.962 8.382 1.00 18.92 C +ATOM 542 CD1 TRP A 58 -30.103 -3.417 9.622 1.00 22.95 C +ATOM 543 CD2 TRP A 58 -30.794 -2.122 7.907 1.00 19.45 C +ATOM 544 NE1 TRP A 58 -31.410 -2.933 9.915 1.00 23.21 N +ATOM 545 CE2 TRP A 58 -31.813 -2.120 8.899 1.00 17.86 C +ATOM 546 CE3 TRP A 58 -30.977 -1.392 6.747 1.00 18.65 C +ATOM 547 CZ2 TRP A 58 -32.991 -1.383 8.748 1.00 19.62 C +ATOM 548 CZ3 TRP A 58 -32.148 -0.627 6.597 1.00 19.54 C +ATOM 549 CH2 TRP A 58 -33.139 -0.666 7.608 1.00 20.26 C +ATOM 550 N PRO A 59 -26.298 -4.540 5.682 1.00 19.73 N +ATOM 551 CA PRO A 59 -25.226 -4.261 4.715 1.00 18.66 C +ATOM 552 C PRO A 59 -25.588 -4.680 3.302 1.00 17.73 C +ATOM 553 O PRO A 59 -25.015 -4.100 2.348 1.00 18.71 O +ATOM 554 CB PRO A 59 -24.017 -5.087 5.291 1.00 18.34 C +ATOM 555 CG PRO A 59 -24.260 -5.175 6.737 1.00 19.32 C +ATOM 556 CD PRO A 59 -25.797 -5.307 6.859 1.00 23.74 C +ATOM 557 N THR A 60 -26.453 -5.685 3.118 1.00 17.86 N +ATOM 558 CA THR A 60 -26.768 -6.094 1.737 1.00 18.11 C +ATOM 559 C THR A 60 -27.570 -5.056 0.989 1.00 17.04 C +ATOM 560 O THR A 60 -27.704 -5.183 -0.238 1.00 18.82 O +ATOM 561 CB THR A 60 -27.573 -7.406 1.669 1.00 19.14 C +ATOM 562 OG1 THR A 60 -28.899 -7.259 2.250 1.00 18.68 O +ATOM 563 CG2 THR A 60 -26.766 -8.521 2.395 1.00 22.34 C +ATOM 564 N LEU A 61 -28.114 -4.059 1.693 1.00 17.14 N +ATOM 565 CA LEU A 61 -28.941 -3.042 1.040 1.00 18.51 C +ATOM 566 C LEU A 61 -28.204 -1.721 0.829 1.00 17.51 C +ATOM 567 O LEU A 61 -28.787 -0.765 0.291 1.00 16.74 O +ATOM 568 CB LEU A 61 -30.215 -2.794 1.906 1.00 16.97 C +ATOM 569 CG LEU A 61 -31.116 -3.972 2.072 1.00 19.82 C +ATOM 570 CD1 LEU A 61 -32.326 -3.542 2.980 1.00 21.30 C +ATOM 571 CD2 LEU A 61 -31.591 -4.363 0.728 1.00 23.05 C +ATOM 572 N VAL A 62 -26.947 -1.615 1.263 1.00 16.40 N +ATOM 573 CA VAL A 62 -26.256 -0.331 1.175 1.00 15.42 C +ATOM 574 C VAL A 62 -26.206 0.175 -0.276 1.00 15.93 C +ATOM 575 O VAL A 62 -26.508 1.356 -0.553 1.00 15.54 O +ATOM 576 CB VAL A 62 -24.856 -0.433 1.814 1.00 16.32 C +ATOM 577 CG1 VAL A 62 -24.027 0.808 1.470 1.00 17.85 C +ATOM 578 CG2 VAL A 62 -25.035 -0.523 3.370 1.00 18.46 C +ATOM 579 N THR A 63 -25.755 -0.662 -1.223 1.00 16.09 N +ATOM 580 CA THR A 63 -25.636 -0.143 -2.591 1.00 17.20 C +ATOM 581 C THR A 63 -27.001 0.242 -3.170 1.00 14.59 C +ATOM 582 O THR A 63 -27.085 1.151 -3.997 1.00 16.36 O +ATOM 583 CB THR A 63 -24.946 -1.162 -3.536 1.00 18.70 C +ATOM 584 OG1 THR A 63 -25.551 -2.442 -3.420 1.00 19.25 O +ATOM 585 CG2 THR A 63 -23.418 -1.286 -3.228 1.00 21.24 C +ATOM 586 N THR A 64 -28.064 -0.407 -2.719 1.00 15.15 N +ATOM 587 CA THR A 64 -29.404 -0.168 -3.268 1.00 14.15 C +ATOM 588 C THR A 64 -29.974 1.130 -2.691 1.00 15.34 C +ATOM 589 O THR A 64 -30.418 1.985 -3.449 1.00 16.70 O +ATOM 590 CB THR A 64 -30.341 -1.342 -2.911 1.00 14.54 C +ATOM 591 OG1 THR A 64 -29.895 -2.531 -3.550 1.00 18.33 O +ATOM 592 CG2 THR A 64 -31.834 -1.054 -3.348 1.00 16.67 C +ATOM 593 N LEU A 65 -29.825 1.321 -1.355 0.55 14.87 N +ATOM 594 CA LEU A 65 -30.414 2.465 -0.666 0.55 15.23 C +ATOM 595 C LEU A 65 -29.644 3.712 -0.951 0.55 18.05 C +ATOM 596 O LEU A 65 -30.203 4.797 -1.121 0.55 19.19 O +ATOM 597 CB LEU A 65 -30.440 2.240 0.831 0.55 20.01 C +ATOM 598 CG LEU A 65 -31.341 1.097 1.303 0.55 19.06 C +ATOM 599 CD1 LEU A 65 -31.049 0.780 2.794 0.55 19.15 C +ATOM 600 CD2 LEU A 65 -32.825 1.586 1.128 0.55 19.51 C +HETATM 601 N1 AOHD A 68 -28.234 3.587 -1.075 0.77 15.48 N +HETATM 602 N1 BOHD A 68 -28.276 3.302 -1.000 0.11 15.12 N +HETATM 603 N1 COHD A 68 -28.216 3.649 -0.910 0.12 15.51 N +HETATM 604 CA1AOHD A 68 -27.405 4.845 -1.214 0.77 15.14 C +HETATM 605 CA1BOHD A 68 -27.266 4.368 -1.176 0.11 16.38 C +HETATM 606 CA1COHD A 68 -27.329 4.804 -1.178 0.12 15.39 C +HETATM 607 CB1AOHD A 68 -26.859 5.252 0.151 0.77 18.17 C +HETATM 608 CB1BOHD A 68 -26.491 4.448 0.133 0.11 17.11 C +HETATM 609 CB1COHD A 68 -26.633 5.235 0.107 0.12 18.06 C +HETATM 610 C1 AOHD A 68 -26.350 4.345 -2.109 0.77 14.43 C +HETATM 611 C1 BOHD A 68 -26.440 4.016 -2.369 0.11 15.21 C +HETATM 612 C1 COHD A 68 -26.333 4.401 -2.198 0.12 14.89 C +HETATM 613 N2 AOHD A 68 -25.112 4.001 -1.703 0.77 15.83 N +HETATM 614 N2 BOHD A 68 -25.161 3.503 -2.388 0.11 20.04 N +HETATM 615 N2 COHD A 68 -25.004 4.157 -1.963 0.12 16.76 N +HETATM 616 N3 AOHD A 68 -26.548 4.177 -3.432 0.77 17.39 N +HETATM 617 N3 BOHD A 68 -26.924 4.170 -3.632 0.11 17.95 N +HETATM 618 N3 COHD A 68 -26.658 4.217 -3.498 0.12 17.20 N +HETATM 619 C2 AOHD A 68 -25.426 3.690 -3.885 0.77 18.37 C +HETATM 620 C2 BOHD A 68 -25.974 3.779 -4.464 0.11 16.88 C +HETATM 621 C2 COHD A 68 -25.547 3.868 -4.122 0.12 17.56 C +HETATM 622 O2 AOHD A 68 -25.323 3.367 -5.228 0.77 16.30 O +HETATM 623 O2 BOHD A 68 -26.077 3.764 -5.931 0.11 15.26 O +HETATM 624 O2 COHD A 68 -25.488 3.580 -5.563 0.12 17.70 O +HETATM 625 CA2AOHD A 68 -24.480 3.549 -2.810 0.77 17.20 C +HETATM 626 CA2BOHD A 68 -24.839 3.329 -3.696 0.11 17.87 C +HETATM 627 CA2COHD A 68 -24.460 3.811 -3.145 0.12 17.47 C +HETATM 628 CA3AOHD A 68 -27.763 4.357 -4.280 0.77 16.17 C +HETATM 629 CA3BOHD A 68 -28.234 4.687 -4.020 0.11 15.45 C +HETATM 630 CA3COHD A 68 -27.972 4.401 -4.110 0.12 16.03 C +HETATM 631 C3 AOHD A 68 -28.079 5.781 -4.622 0.77 16.61 C +HETATM 632 C3 BOHD A 68 -28.020 5.899 -4.904 0.11 16.45 C +HETATM 633 C3 COHD A 68 -27.933 5.759 -4.796 0.12 16.50 C +HETATM 634 O3 AOHD A 68 -29.040 5.763 -5.601 0.77 17.10 O +HETATM 635 O3 BOHD A 68 -29.256 6.336 -5.439 0.11 15.50 O +HETATM 636 O3 COHD A 68 -29.183 6.045 -5.417 0.12 16.44 O +HETATM 637 CB2AOHD A 68 -23.110 3.015 -2.652 0.77 17.49 C +HETATM 638 CB2BOHD A 68 -23.578 2.806 -4.230 0.11 25.09 C +HETATM 639 CB2COHD A 68 -23.017 3.477 -3.245 0.12 20.12 C +HETATM 640 CG2AOHD A 68 -22.195 2.429 -3.628 0.77 19.08 C +HETATM 641 CG2BOHD A 68 -22.461 2.325 -3.406 0.11 19.80 C +HETATM 642 CG2COHD A 68 -22.349 3.083 -4.504 0.12 21.42 C +HETATM 643 CD1AOHD A 68 -21.107 1.766 -3.010 0.77 21.97 C +HETATM 644 CD1BOHD A 68 -22.410 2.468 -2.021 0.11 25.18 C +HETATM 645 CD1COHD A 68 -22.940 2.157 -5.364 0.12 21.04 C +HETATM 646 CD2AOHD A 68 -22.463 2.401 -4.997 0.77 19.22 C +HETATM 647 CD2BOHD A 68 -21.482 1.642 -4.104 0.11 25.27 C +HETATM 648 CD2COHD A 68 -21.096 3.610 -4.789 0.12 18.86 C +HETATM 649 CE1AOHD A 68 -20.159 1.129 -3.802 0.77 22.32 C +HETATM 650 CE1BOHD A 68 -21.328 1.966 -1.301 0.11 26.89 C +HETATM 651 CE1COHD A 68 -22.327 1.752 -6.549 0.12 27.40 C +HETATM 652 CE2AOHD A 68 -21.488 1.738 -5.761 0.77 21.27 C +HETATM 653 CE2BOHD A 68 -20.398 1.121 -3.430 0.11 24.52 C +HETATM 654 CE2COHD A 68 -20.457 3.236 -5.961 0.12 19.84 C +HETATM 655 CZ AOHD A 68 -20.314 1.097 -5.168 0.77 24.30 C +HETATM 656 CZ BOHD A 68 -20.322 1.286 -1.962 0.11 22.36 C +HETATM 657 CZ COHD A 68 -21.088 2.271 -6.883 0.12 22.60 C +HETATM 658 OH AOHD A 68 -19.411 0.484 -5.969 0.77 27.25 O +HETATM 659 OH BOHD A 68 -19.248 0.792 -1.287 0.11 29.41 O +HETATM 660 OH COHD A 68 -20.433 1.914 -8.026 0.12 28.65 O +HETATM 661 CL AOHD A 68 -21.735 1.694 -7.499 0.77 21.93 CL +HETATM 662 CL BOHD A 68 -19.119 0.266 -4.337 0.11 27.81 CL +HETATM 663 CL COHD A 68 -18.864 3.906 -6.398 0.12 16.08 CL +ATOM 664 N VAL A 69 -27.250 6.839 -4.158 1.00 17.60 N +ATOM 665 CA VAL A 69 -27.636 8.116 -4.730 1.00 16.26 C +ATOM 666 C VAL A 69 -26.298 8.719 -5.182 1.00 18.06 C +ATOM 667 O VAL A 69 -25.732 9.594 -4.523 1.00 19.14 O +ATOM 668 CB VAL A 69 -28.382 9.061 -3.739 1.00 19.65 C +ATOM 669 CG1 VAL A 69 -29.881 8.606 -3.652 1.00 26.41 C +ATOM 670 CG2 VAL A 69 -27.803 8.916 -2.359 1.00 23.51 C +ATOM 671 N LEU A 70 -25.883 8.297 -6.362 1.00 16.28 N +ATOM 672 CA LEU A 70 -24.532 8.633 -6.823 1.00 16.38 C +ATOM 673 C LEU A 70 -24.440 10.032 -7.366 1.00 20.89 C +ATOM 674 O LEU A 70 -23.321 10.502 -7.643 1.00 19.46 O +ATOM 675 CB LEU A 70 -24.089 7.623 -7.879 1.00 15.61 C +ATOM 676 CG LEU A 70 -23.863 6.197 -7.330 1.00 23.12 C +ATOM 677 CD1 LEU A 70 -23.681 5.141 -8.532 1.00 23.06 C +ATOM 678 CD2 LEU A 70 -22.708 6.069 -6.278 1.00 20.75 C +ATOM 679 N CYS A 71 -25.547 10.763 -7.403 1.00 20.31 N +ATOM 680 CA CYS A 71 -25.447 12.181 -7.726 1.00 16.70 C +ATOM 681 C CYS A 71 -24.770 13.000 -6.625 1.00 21.84 C +ATOM 682 O CYS A 71 -24.454 14.161 -6.871 1.00 21.50 O +ATOM 683 CB CYS A 71 -26.829 12.772 -8.056 1.00 19.43 C +ATOM 684 SG CYS A 71 -28.096 12.328 -6.752 1.00 21.36 S +ATOM 685 N PHE A 72 -24.512 12.425 -5.450 1.00 17.89 N +ATOM 686 CA PHE A 72 -23.789 13.177 -4.421 1.00 19.67 C +ATOM 687 C PHE A 72 -22.306 12.893 -4.451 1.00 21.25 C +ATOM 688 O PHE A 72 -21.613 13.253 -3.494 1.00 20.30 O +ATOM 689 CB PHE A 72 -24.375 12.877 -3.038 1.00 19.19 C +ATOM 690 CG PHE A 72 -25.729 13.513 -2.865 1.00 20.72 C +ATOM 691 CD1 PHE A 72 -25.832 14.890 -2.715 1.00 21.23 C +ATOM 692 CD2 PHE A 72 -26.879 12.753 -2.945 1.00 19.81 C +ATOM 693 CE1 PHE A 72 -27.107 15.519 -2.568 1.00 18.06 C +ATOM 694 CE2 PHE A 72 -28.154 13.359 -2.822 1.00 21.45 C +ATOM 695 CZ PHE A 72 -28.272 14.738 -2.662 1.00 21.11 C +ATOM 696 N SER A 73 -21.832 12.239 -5.512 1.00 17.48 N +ATOM 697 CA SER A 73 -20.387 11.997 -5.630 1.00 17.41 C +ATOM 698 C SER A 73 -19.678 13.326 -5.827 1.00 20.17 C +ATOM 699 O SER A 73 -20.191 14.251 -6.440 1.00 22.50 O +ATOM 700 CB SER A 73 -20.091 11.080 -6.810 1.00 21.47 C +ATOM 701 OG SER A 73 -20.787 9.837 -6.674 1.00 27.42 O +ATOM 702 N ARG A 74 -18.465 13.399 -5.335 1.00 18.15 N +ATOM 703 CA ARG A 74 -17.652 14.579 -5.603 1.00 20.39 C +ATOM 704 C ARG A 74 -16.892 14.349 -6.891 1.00 20.97 C +ATOM 705 O ARG A 74 -16.049 13.440 -6.953 1.00 22.39 O +ATOM 706 CB ARG A 74 -16.649 14.846 -4.465 1.00 20.89 C +ATOM 707 CG ARG A 74 -15.786 16.110 -4.784 1.00 23.70 C +ATOM 708 CD ARG A 74 -14.885 16.476 -3.617 1.00 32.95 C +ATOM 709 NE ARG A 74 -13.678 15.655 -3.524 1.00 31.60 N +ATOM 710 CZ ARG A 74 -12.557 15.825 -4.249 1.00 37.16 C +ATOM 711 NH1 ARG A 74 -11.536 14.992 -4.066 1.00 35.82 N +ATOM 712 NH2 ARG A 74 -12.454 16.804 -5.134 1.00 39.53 N +ATOM 713 N TYR A 75 -17.191 15.143 -7.913 1.00 19.98 N +ATOM 714 CA TYR A 75 -16.382 15.115 -9.135 1.00 18.45 C +ATOM 715 C TYR A 75 -15.408 16.267 -9.089 1.00 21.23 C +ATOM 716 O TYR A 75 -15.846 17.416 -8.986 1.00 21.68 O +ATOM 717 CB TYR A 75 -17.269 15.241 -10.381 1.00 20.37 C +ATOM 718 CG TYR A 75 -17.742 13.884 -10.852 1.00 22.14 C +ATOM 719 CD1 TYR A 75 -18.748 13.199 -10.150 1.00 20.68 C +ATOM 720 CD2 TYR A 75 -17.286 13.342 -12.015 1.00 20.19 C +ATOM 721 CE1 TYR A 75 -19.162 11.970 -10.550 1.00 20.15 C +ATOM 722 CE2 TYR A 75 -17.733 12.078 -12.421 1.00 20.27 C +ATOM 723 CZ TYR A 75 -18.687 11.427 -11.702 1.00 20.79 C +ATOM 724 OH TYR A 75 -19.081 10.164 -12.066 1.00 19.85 O +ATOM 725 N PRO A 76 -14.106 15.990 -9.193 1.00 22.74 N +ATOM 726 CA PRO A 76 -13.107 17.073 -9.277 1.00 23.12 C +ATOM 727 C PRO A 76 -13.439 18.006 -10.420 1.00 23.22 C +ATOM 728 O PRO A 76 -14.002 17.589 -11.438 1.00 21.71 O +ATOM 729 CB PRO A 76 -11.798 16.325 -9.566 1.00 24.77 C +ATOM 730 CG PRO A 76 -11.970 14.953 -8.999 1.00 29.82 C +ATOM 731 CD PRO A 76 -13.498 14.655 -9.279 1.00 22.27 C +ATOM 732 N ASP A 77 -12.982 19.271 -10.291 1.00 20.13 N +ATOM 733 CA ASP A 77 -13.265 20.267 -11.322 1.00 22.14 C +ATOM 734 C ASP A 77 -12.935 19.781 -12.730 1.00 21.50 C +ATOM 735 O ASP A 77 -13.690 20.022 -13.689 1.00 22.81 O +ATOM 736 CB ASP A 77 -12.425 21.522 -11.023 1.00 21.42 C +ATOM 737 CG ASP A 77 -12.654 22.599 -12.075 1.00 24.51 C +ATOM 738 OD1 ASP A 77 -13.675 23.306 -12.005 1.00 27.89 O +ATOM 739 OD2 ASP A 77 -11.867 22.659 -13.029 1.00 30.04 O1- +ATOM 740 N HIS A 78 -11.755 19.163 -12.899 1.00 20.48 N +ATOM 741 CA HIS A 78 -11.354 18.792 -14.232 1.00 20.80 C +ATOM 742 C HIS A 78 -12.120 17.601 -14.747 1.00 30.37 C +ATOM 743 O HIS A 78 -11.942 17.271 -15.903 1.00 28.49 O +ATOM 744 CB HIS A 78 -9.860 18.471 -14.297 1.00 25.92 C +ATOM 745 CG HIS A 78 -9.473 17.205 -13.583 1.00 27.80 C +ATOM 746 ND1 HIS A 78 -9.351 17.127 -12.210 1.00 28.34 N +ATOM 747 CD2 HIS A 78 -9.136 15.983 -14.057 1.00 29.02 C +ATOM 748 CE1 HIS A 78 -8.985 15.903 -11.868 1.00 29.27 C +ATOM 749 NE2 HIS A 78 -8.857 15.183 -12.971 1.00 29.53 N +ATOM 750 N MET A 79 -13.025 17.009 -13.952 1.00 21.75 N +ATOM 751 CA MET A 79 -13.811 15.879 -14.407 1.00 23.23 C +ATOM 752 C MET A 79 -15.298 16.183 -14.442 1.00 24.73 C +ATOM 753 O MET A 79 -16.113 15.258 -14.686 1.00 23.22 O +ATOM 754 CB MET A 79 -13.568 14.700 -13.459 1.00 26.26 C +ATOM 755 CG MET A 79 -12.231 14.033 -13.651 1.00 32.57 C +ATOM 756 SD MET A 79 -12.071 12.667 -12.473 1.00 31.92 S +ATOM 757 CE MET A 79 -13.232 11.408 -13.158 1.00 30.67 C +ATOM 758 N LYS A 80 -15.680 17.446 -14.233 1.00 21.32 N +ATOM 759 CA LYS A 80 -17.116 17.735 -14.082 1.00 25.02 C +ATOM 760 C LYS A 80 -17.897 17.510 -15.384 1.00 21.52 C +ATOM 761 O LYS A 80 -19.105 17.181 -15.327 1.00 25.01 O +ATOM 762 CB LYS A 80 -17.299 19.174 -13.527 1.00 24.74 C +ATOM 763 CG LYS A 80 -17.061 19.225 -11.962 1.00 27.24 C +ATOM 764 CD LYS A 80 -17.325 20.553 -11.346 1.00 31.89 C +ATOM 765 CE LYS A 80 -17.049 20.559 -9.844 1.00 29.43 C +ATOM 766 NZ LYS A 80 -17.837 19.566 -9.068 1.00 31.44 N +ATOM 767 N GLN A 81 -17.227 17.508 -16.526 1.00 22.55 N +ATOM 768 CA GLN A 81 -17.919 17.163 -17.759 1.00 25.60 C +ATOM 769 C GLN A 81 -18.262 15.695 -17.876 1.00 25.91 C +ATOM 770 O GLN A 81 -18.958 15.305 -18.837 1.00 27.79 O +ATOM 771 CB GLN A 81 -17.062 17.592 -18.974 1.00 31.95 C +ATOM 772 CG GLN A 81 -15.836 16.793 -19.152 1.00 42.65 C +ATOM 773 CD GLN A 81 -14.598 17.464 -18.512 1.00 66.81 C +ATOM 774 OE1 GLN A 81 -14.617 17.893 -17.331 1.00 40.70 O +ATOM 775 NE2 GLN A 81 -13.522 17.579 -19.306 1.00 48.45 N +ATOM 776 N HIS A 82 -17.861 14.869 -16.905 1.00 21.19 N +ATOM 777 CA HIS A 82 -18.136 13.446 -16.919 1.00 22.06 C +ATOM 778 C HIS A 82 -19.228 13.053 -15.931 1.00 20.15 C +ATOM 779 O HIS A 82 -19.445 11.858 -15.727 1.00 24.86 O +ATOM 780 CB HIS A 82 -16.840 12.694 -16.628 1.00 27.87 C +ATOM 781 CG HIS A 82 -15.814 12.953 -17.691 1.00 27.93 C +ATOM 782 ND1 HIS A 82 -16.010 12.585 -19.000 1.00 26.31 N +ATOM 783 CD2 HIS A 82 -14.621 13.609 -17.657 1.00 33.81 C +ATOM 784 CE1 HIS A 82 -14.978 12.977 -19.734 1.00 33.27 C +ATOM 785 NE2 HIS A 82 -14.129 13.611 -18.944 1.00 33.12 N +ATOM 786 N ASP A 83 -19.893 14.010 -15.341 1.00 21.13 N +ATOM 787 CA ASP A 83 -20.847 13.716 -14.245 1.00 19.01 C +ATOM 788 C ASP A 83 -22.236 13.532 -14.836 1.00 18.59 C +ATOM 789 O ASP A 83 -23.042 14.461 -14.891 1.00 21.45 O +ATOM 790 CB ASP A 83 -20.800 14.833 -13.213 1.00 20.04 C +ATOM 791 CG ASP A 83 -21.581 14.514 -11.916 1.00 22.40 C +ATOM 792 OD1 ASP A 83 -22.386 13.547 -11.886 1.00 18.89 O +ATOM 793 OD2 ASP A 83 -21.396 15.270 -10.967 1.00 20.50 O1- +ATOM 794 N PHE A 84 -22.512 12.286 -15.197 1.00 17.96 N +ATOM 795 CA PHE A 84 -23.817 11.922 -15.781 1.00 19.96 C +ATOM 796 C PHE A 84 -24.916 12.134 -14.760 1.00 17.80 C +ATOM 797 O PHE A 84 -26.016 12.603 -15.088 1.00 19.74 O +ATOM 798 CB PHE A 84 -23.772 10.465 -16.208 1.00 19.79 C +ATOM 799 CG PHE A 84 -25.153 9.867 -16.418 1.00 20.15 C +ATOM 800 CD1 PHE A 84 -25.745 9.993 -17.648 1.00 24.94 C +ATOM 801 CD2 PHE A 84 -25.830 9.264 -15.366 1.00 23.58 C +ATOM 802 CE1 PHE A 84 -26.987 9.458 -17.897 1.00 32.92 C +ATOM 803 CE2 PHE A 84 -27.130 8.730 -15.593 1.00 24.86 C +ATOM 804 CZ PHE A 84 -27.701 8.843 -16.843 1.00 27.47 C +ATOM 805 N PHE A 85 -24.631 11.763 -13.504 1.00 17.43 N +ATOM 806 CA PHE A 85 -25.682 11.698 -12.490 1.00 18.98 C +ATOM 807 C PHE A 85 -26.301 13.058 -12.240 1.00 20.24 C +ATOM 808 O PHE A 85 -27.533 13.173 -12.142 1.00 22.82 O +ATOM 809 CB PHE A 85 -25.103 11.141 -11.204 1.00 16.53 C +ATOM 810 CG PHE A 85 -24.432 9.821 -11.397 1.00 17.16 C +ATOM 811 CD1 PHE A 85 -25.172 8.679 -11.536 1.00 19.32 C +ATOM 812 CD2 PHE A 85 -23.000 9.735 -11.442 1.00 20.17 C +ATOM 813 CE1 PHE A 85 -24.547 7.411 -11.655 1.00 22.88 C +ATOM 814 CE2 PHE A 85 -22.399 8.520 -11.566 1.00 24.47 C +ATOM 815 CZ PHE A 85 -23.150 7.368 -11.691 1.00 22.24 C +ATOM 816 N LYS A 86 -25.472 14.121 -12.094 1.00 17.74 N +ATOM 817 CA LYS A 86 -26.097 15.415 -11.877 1.00 17.89 C +ATOM 818 C LYS A 86 -26.697 15.968 -13.166 1.00 18.93 C +ATOM 819 O LYS A 86 -27.593 16.803 -13.100 1.00 21.21 O +ATOM 820 CB LYS A 86 -25.061 16.392 -11.314 1.00 22.76 C +ATOM 821 CG LYS A 86 -24.542 15.977 -9.939 1.00 18.86 C +ATOM 822 CD LYS A 86 -23.569 17.104 -9.417 1.00 19.57 C +ATOM 823 CE LYS A 86 -22.894 16.683 -8.086 1.00 20.74 C +ATOM 824 NZ LYS A 86 -22.125 15.389 -8.253 1.00 20.15 N +ATOM 825 N SER A 87 -26.133 15.614 -14.322 1.00 18.80 N +ATOM 826 CA SER A 87 -26.613 16.204 -15.588 1.00 23.81 C +ATOM 827 C SER A 87 -28.023 15.752 -15.928 1.00 23.81 C +ATOM 828 O SER A 87 -28.751 16.458 -16.658 1.00 22.30 O +ATOM 829 CB SER A 87 -25.702 15.871 -16.761 1.00 22.84 C +ATOM 830 OG SER A 87 -25.865 14.538 -17.230 1.00 25.75 O +ATOM 831 N ALA A 88 -28.430 14.619 -15.372 1.00 20.58 N +ATOM 832 CA ALA A 88 -29.796 14.115 -15.562 1.00 19.08 C +ATOM 833 C ALA A 88 -30.831 14.812 -14.696 1.00 24.20 C +ATOM 834 O ALA A 88 -32.024 14.541 -14.895 1.00 26.07 O +ATOM 835 CB ALA A 88 -29.799 12.614 -15.264 1.00 21.45 C +ATOM 836 N MET A 89 -30.451 15.659 -13.764 1.00 22.58 N +ATOM 837 CA MET A 89 -31.366 16.309 -12.815 1.00 21.45 C +ATOM 838 C MET A 89 -31.868 17.626 -13.408 1.00 24.68 C +ATOM 839 O MET A 89 -31.211 18.203 -14.276 1.00 27.99 O +ATOM 840 CB MET A 89 -30.646 16.592 -11.473 1.00 20.94 C +ATOM 841 CG MET A 89 -30.080 15.304 -10.783 1.00 19.47 C +ATOM 842 SD MET A 89 -31.575 14.329 -10.307 1.00 26.82 S +ATOM 843 CE MET A 89 -30.806 12.771 -9.968 1.00 24.70 C +ATOM 844 N PRO A 90 -33.064 18.114 -12.991 1.00 24.28 N +ATOM 845 CA PRO A 90 -33.906 17.528 -11.915 1.00 20.88 C +ATOM 846 C PRO A 90 -34.843 16.412 -12.352 1.00 21.85 C +ATOM 847 O PRO A 90 -35.425 15.778 -11.480 1.00 25.49 O +ATOM 848 CB PRO A 90 -34.702 18.743 -11.418 1.00 26.82 C +ATOM 849 CG PRO A 90 -34.902 19.526 -12.692 1.00 28.24 C +ATOM 850 CD PRO A 90 -33.609 19.386 -13.498 1.00 31.69 C +ATOM 851 N GLU A 91 -35.002 16.142 -13.649 1.00 22.37 N +ATOM 852 CA AGLU A 91 -35.966 15.128 -14.063 0.66 23.84 C +ATOM 853 CA BGLU A 91 -35.968 15.126 -14.066 0.34 23.95 C +ATOM 854 C GLU A 91 -35.572 13.750 -13.569 1.00 27.34 C +ATOM 855 O GLU A 91 -36.439 12.919 -13.296 1.00 26.32 O +ATOM 856 CB AGLU A 91 -36.080 15.081 -15.590 0.66 30.05 C +ATOM 857 CB BGLU A 91 -36.101 15.075 -15.593 0.34 30.03 C +ATOM 858 CG AGLU A 91 -36.447 16.420 -16.238 0.66 36.30 C +ATOM 859 CG BGLU A 91 -37.119 16.035 -16.195 0.34 35.25 C +ATOM 860 CD AGLU A 91 -35.303 17.432 -16.358 0.66 40.26 C +ATOM 861 CD BGLU A 91 -36.894 16.261 -17.690 0.34 38.49 C +ATOM 862 OE1AGLU A 91 -34.113 17.120 -16.117 0.66 29.09 O +ATOM 863 OE1BGLU A 91 -35.734 16.475 -18.110 0.34 45.05 O +ATOM 864 OE2AGLU A 91 -35.614 18.582 -16.732 0.66 58.01 O1- +ATOM 865 OE2BGLU A 91 -37.878 16.220 -18.446 0.34 35.27 O1- +ATOM 866 N GLY A 92 -34.271 13.476 -13.504 1.00 23.57 N +ATOM 867 CA GLY A 92 -33.800 12.291 -12.805 1.00 22.20 C +ATOM 868 C GLY A 92 -33.347 11.201 -13.744 1.00 21.52 C +ATOM 869 O GLY A 92 -33.241 11.358 -14.979 1.00 21.75 O +ATOM 870 N TYR A 93 -33.054 10.066 -13.122 1.00 20.31 N +ATOM 871 CA TYR A 93 -32.613 8.908 -13.837 1.00 18.67 C +ATOM 872 C TYR A 93 -33.166 7.676 -13.149 1.00 19.68 C +ATOM 873 O TYR A 93 -33.501 7.692 -11.976 1.00 21.27 O +ATOM 874 CB TYR A 93 -31.050 8.796 -13.954 1.00 21.87 C +ATOM 875 CG TYR A 93 -30.262 8.876 -12.613 1.00 20.61 C +ATOM 876 CD1 TYR A 93 -30.101 7.754 -11.857 1.00 20.36 C +ATOM 877 CD2 TYR A 93 -29.665 10.067 -12.176 1.00 22.18 C +ATOM 878 CE1 TYR A 93 -29.406 7.777 -10.636 1.00 19.94 C +ATOM 879 CE2 TYR A 93 -28.975 10.106 -10.989 1.00 19.90 C +ATOM 880 CZ TYR A 93 -28.799 8.954 -10.258 1.00 21.45 C +ATOM 881 OH TYR A 93 -28.140 8.913 -9.026 1.00 19.97 O +ATOM 882 N VAL A 94 -33.129 6.602 -13.901 1.00 20.20 N +ATOM 883 CA VAL A 94 -33.500 5.274 -13.429 1.00 19.55 C +ATOM 884 C VAL A 94 -32.206 4.546 -13.155 1.00 20.07 C +ATOM 885 O VAL A 94 -31.286 4.570 -13.969 1.00 25.10 O +ATOM 886 CB VAL A 94 -34.329 4.521 -14.504 1.00 21.39 C +ATOM 887 CG1 VAL A 94 -34.612 3.099 -14.047 1.00 25.17 C +ATOM 888 CG2 VAL A 94 -35.614 5.206 -14.740 1.00 23.92 C +ATOM 889 N GLN A 95 -32.148 3.856 -12.036 1.00 19.58 N +ATOM 890 CA GLN A 95 -30.990 3.029 -11.765 1.00 18.33 C +ATOM 891 C GLN A 95 -31.498 1.603 -11.583 1.00 17.44 C +ATOM 892 O GLN A 95 -32.361 1.359 -10.717 1.00 20.10 O +ATOM 893 CB GLN A 95 -30.269 3.561 -10.528 1.00 20.47 C +ATOM 894 CG GLN A 95 -29.039 2.645 -10.136 1.00 16.95 C +ATOM 895 CD GLN A 95 -28.180 3.377 -9.162 1.00 19.70 C +ATOM 896 OE1 GLN A 95 -27.543 4.344 -9.551 1.00 20.07 O +ATOM 897 NE2 GLN A 95 -28.152 2.940 -7.887 1.00 22.36 N +ATOM 898 N GLU A 96 -31.023 0.679 -12.420 1.00 18.41 N +ATOM 899 CA GLU A 96 -31.490 -0.718 -12.400 1.00 19.03 C +ATOM 900 C GLU A 96 -30.301 -1.603 -12.075 1.00 18.68 C +ATOM 901 O GLU A 96 -29.215 -1.421 -12.635 1.00 19.31 O +ATOM 902 CB GLU A 96 -32.064 -1.147 -13.760 1.00 18.36 C +ATOM 903 CG GLU A 96 -33.380 -0.461 -13.955 1.00 21.20 C +ATOM 904 CD GLU A 96 -33.848 -0.408 -15.411 1.00 30.04 C +ATOM 905 OE1 GLU A 96 -33.026 -0.269 -16.322 1.00 28.92 O +ATOM 906 OE2 GLU A 96 -35.064 -0.505 -15.601 1.00 32.87 O1- +ATOM 907 N ARG A 97 -30.491 -2.552 -11.176 1.00 18.49 N +ATOM 908 CA ARG A 97 -29.408 -3.486 -10.893 1.00 17.68 C +ATOM 909 C ARG A 97 -29.932 -4.898 -10.835 1.00 16.64 C +ATOM 910 O ARG A 97 -31.078 -5.130 -10.475 1.00 19.83 O +ATOM 911 CB ARG A 97 -28.751 -3.227 -9.533 1.00 16.80 C +ATOM 912 CG ARG A 97 -28.013 -1.841 -9.486 1.00 19.88 C +ATOM 913 CD ARG A 97 -26.820 -2.052 -8.546 1.00 18.33 C +ATOM 914 NE ARG A 97 -26.058 -0.817 -8.366 1.00 17.96 N +ATOM 915 CZ ARG A 97 -26.231 0.055 -7.343 1.00 20.97 C +ATOM 916 NH1 ARG A 97 -27.249 -0.072 -6.459 1.00 17.64 N +ATOM 917 NH2 ARG A 97 -25.399 1.087 -7.234 1.00 18.26 N +ATOM 918 N THR A 98 -29.028 -5.841 -11.082 1.00 16.16 N +ATOM 919 CA THR A 98 -29.207 -7.209 -10.654 1.00 17.67 C +ATOM 920 C THR A 98 -27.992 -7.515 -9.796 1.00 17.67 C +ATOM 921 O THR A 98 -26.864 -7.179 -10.184 1.00 19.05 O +ATOM 922 CB THR A 98 -29.316 -8.174 -11.842 1.00 22.89 C +ATOM 923 OG1 THR A 98 -30.441 -7.744 -12.627 1.00 23.23 O +ATOM 924 CG2 THR A 98 -29.567 -9.647 -11.347 1.00 21.63 C +ATOM 925 N ILE A 99 -28.244 -8.016 -8.609 1.00 16.77 N +ATOM 926 CA ILE A 99 -27.163 -8.331 -7.658 1.00 16.63 C +ATOM 927 C ILE A 99 -27.190 -9.838 -7.401 1.00 20.69 C +ATOM 928 O ILE A 99 -28.145 -10.350 -6.807 1.00 21.28 O +ATOM 929 CB ILE A 99 -27.344 -7.566 -6.337 1.00 17.70 C +ATOM 930 CG1 ILE A 99 -27.353 -6.052 -6.620 1.00 22.12 C +ATOM 931 CG2 ILE A 99 -26.172 -7.886 -5.360 1.00 19.03 C +ATOM 932 CD1 ILE A 99 -27.853 -5.166 -5.420 1.00 21.26 C +ATOM 933 N PHE A 100 -26.134 -10.544 -7.795 1.00 19.00 N +ATOM 934 CA PHE A 100 -26.025 -11.978 -7.582 1.00 19.75 C +ATOM 935 C PHE A 100 -25.197 -12.272 -6.339 1.00 20.18 C +ATOM 936 O PHE A 100 -23.992 -11.972 -6.314 1.00 22.15 O +ATOM 937 CB PHE A 100 -25.344 -12.640 -8.791 1.00 22.17 C +ATOM 938 CG PHE A 100 -26.146 -12.597 -10.023 1.00 24.08 C +ATOM 939 CD1 PHE A 100 -27.059 -13.609 -10.270 1.00 31.19 C +ATOM 940 CD2 PHE A 100 -25.942 -11.608 -10.972 1.00 25.46 C +ATOM 941 CE1 PHE A 100 -27.819 -13.607 -11.447 1.00 34.81 C +ATOM 942 CE2 PHE A 100 -26.680 -11.601 -12.161 1.00 39.67 C +ATOM 943 CZ PHE A 100 -27.639 -12.598 -12.377 1.00 30.16 C +ATOM 944 N PHE A 101 -25.786 -12.898 -5.336 1.00 17.55 N +ATOM 945 CA PHE A 101 -24.992 -13.308 -4.173 1.00 20.47 C +ATOM 946 C PHE A 101 -24.433 -14.684 -4.467 1.00 21.75 C +ATOM 947 O PHE A 101 -25.196 -15.623 -4.681 1.00 24.25 O +ATOM 948 CB PHE A 101 -25.868 -13.340 -2.917 1.00 18.55 C +ATOM 949 CG PHE A 101 -26.256 -11.940 -2.473 1.00 20.64 C +ATOM 950 CD1 PHE A 101 -27.404 -11.333 -3.026 1.00 19.93 C +ATOM 951 CD2 PHE A 101 -25.420 -11.203 -1.626 1.00 22.94 C +ATOM 952 CE1 PHE A 101 -27.752 -10.033 -2.672 1.00 20.89 C +ATOM 953 CE2 PHE A 101 -25.743 -9.872 -1.285 1.00 20.02 C +ATOM 954 CZ PHE A 101 -26.919 -9.295 -1.812 1.00 20.43 C +ATOM 955 N LYS A 102 -23.109 -14.807 -4.476 1.00 20.21 N +ATOM 956 CA LYS A 102 -22.525 -16.089 -4.831 1.00 20.65 C +ATOM 957 C LYS A 102 -23.073 -17.222 -3.959 1.00 22.90 C +ATOM 958 O LYS A 102 -23.142 -17.123 -2.736 1.00 21.83 O +ATOM 959 CB LYS A 102 -21.006 -15.971 -4.678 1.00 21.96 C +ATOM 960 CG LYS A 102 -20.247 -17.173 -5.297 1.00 24.85 C +ATOM 961 CD LYS A 102 -18.895 -16.681 -5.730 1.00 39.59 C +ATOM 962 CE LYS A 102 -17.897 -17.819 -5.806 1.00 56.05 C +ATOM 963 NZ LYS A 102 -18.416 -18.891 -6.673 1.00 53.01 N +ATOM 964 N ASP A 103 -23.471 -18.317 -4.607 1.00 21.70 N +ATOM 965 CA ASP A 103 -24.010 -19.488 -3.921 1.00 24.84 C +ATOM 966 C ASP A 103 -25.302 -19.169 -3.201 1.00 29.50 C +ATOM 967 O ASP A 103 -25.698 -19.881 -2.270 1.00 28.06 O +ATOM 968 CB ASP A 103 -23.000 -20.102 -2.945 1.00 25.46 C +ATOM 969 CG ASP A 103 -21.766 -20.551 -3.659 1.00 43.61 C +ATOM 970 OD1 ASP A 103 -21.923 -21.075 -4.774 1.00 38.17 O +ATOM 971 OD2 ASP A 103 -20.651 -20.283 -3.173 1.00 40.88 O1- +ATOM 972 N ASP A 104 -25.976 -18.098 -3.603 1.00 24.38 N +ATOM 973 CA ASP A 104 -27.210 -17.732 -2.908 1.00 26.33 C +ATOM 974 C ASP A 104 -28.132 -17.050 -3.926 1.00 21.90 C +ATOM 975 O ASP A 104 -28.003 -17.280 -5.126 1.00 23.90 O +ATOM 976 CB ASP A 104 -26.905 -16.897 -1.644 1.00 23.39 C +ATOM 977 CG ASP A 104 -27.942 -17.106 -0.511 1.00 25.23 C +ATOM 978 OD1 ASP A 104 -29.125 -17.454 -0.785 1.00 25.34 O +ATOM 979 OD2 ASP A 104 -27.598 -16.896 0.672 1.00 31.45 O1- +ATOM 980 N GLY A 105 -29.089 -16.248 -3.452 1.00 21.46 N +ATOM 981 CA GLY A 105 -30.134 -15.705 -4.322 1.00 20.44 C +ATOM 982 C GLY A 105 -29.693 -14.417 -5.000 1.00 22.46 C +ATOM 983 O GLY A 105 -28.528 -14.031 -4.973 1.00 21.81 O +ATOM 984 N ASN A 106 -30.639 -13.736 -5.616 1.00 20.21 N +ATOM 985 CA AASN A 106 -30.305 -12.495 -6.300 0.82 20.10 C +ATOM 986 CA BASN A 106 -30.336 -12.506 -6.336 0.18 19.99 C +ATOM 987 C ASN A 106 -31.360 -11.451 -5.986 1.00 20.21 C +ATOM 988 O ASN A 106 -32.523 -11.774 -5.735 1.00 22.72 O +ATOM 989 CB AASN A 106 -30.170 -12.663 -7.816 0.82 20.71 C +ATOM 990 CB BASN A 106 -30.350 -12.676 -7.854 0.18 21.05 C +ATOM 991 CG AASN A 106 -31.425 -13.197 -8.457 0.82 25.91 C +ATOM 992 CG BASN A 106 -29.482 -13.802 -8.315 0.18 25.44 C +ATOM 993 OD1AASN A 106 -32.271 -12.428 -8.875 0.82 29.84 O +ATOM 994 OD1BASN A 106 -28.407 -14.036 -7.774 0.18 31.85 O +ATOM 995 ND2AASN A 106 -31.539 -14.529 -8.552 0.82 27.58 N +ATOM 996 ND2BASN A 106 -29.963 -14.545 -9.306 0.18 31.35 N +ATOM 997 N TYR A 107 -30.883 -10.200 -5.945 1.00 19.27 N +ATOM 998 CA TYR A 107 -31.742 -8.990 -5.866 1.00 16.79 C +ATOM 999 C TYR A 107 -31.938 -8.366 -7.248 1.00 17.82 C +ATOM 1000 O TYR A 107 -30.953 -8.278 -7.998 1.00 19.85 O +ATOM 1001 CB TYR A 107 -31.087 -7.893 -5.025 1.00 19.53 C +ATOM 1002 CG TYR A 107 -31.050 -8.108 -3.535 1.00 18.68 C +ATOM 1003 CD1 TYR A 107 -31.865 -9.038 -2.912 1.00 19.13 C +ATOM 1004 CD2 TYR A 107 -30.199 -7.356 -2.742 1.00 20.66 C +ATOM 1005 CE1 TYR A 107 -31.824 -9.226 -1.541 1.00 19.85 C +ATOM 1006 CE2 TYR A 107 -30.147 -7.530 -1.370 1.00 18.30 C +ATOM 1007 CZ TYR A 107 -30.960 -8.471 -0.768 1.00 23.30 C +ATOM 1008 OH TYR A 107 -30.910 -8.649 0.581 1.00 20.59 O +ATOM 1009 N LYS A 108 -33.161 -7.939 -7.571 1.00 15.99 N +ATOM 1010 CA LYS A 108 -33.422 -7.205 -8.840 1.00 16.79 C +ATOM 1011 C LYS A 108 -34.017 -5.865 -8.418 1.00 18.21 C +ATOM 1012 O LYS A 108 -35.104 -5.883 -7.806 1.00 19.40 O +ATOM 1013 CB LYS A 108 -34.356 -8.009 -9.747 1.00 21.93 C +ATOM 1014 CG LYS A 108 -33.677 -9.123 -10.529 1.00 27.04 C +ATOM 1015 CD LYS A 108 -34.585 -9.790 -11.535 1.00 50.28 C +ATOM 1016 CE LYS A 108 -34.225 -11.241 -11.779 1.00 63.69 C +ATOM 1017 NZ LYS A 108 -32.822 -11.391 -12.233 1.00 70.25 N +ATOM 1018 N THR A 109 -33.341 -4.748 -8.711 1.00 16.99 N +ATOM 1019 CA THR A 109 -33.819 -3.493 -8.166 1.00 18.45 C +ATOM 1020 C THR A 109 -34.060 -2.492 -9.301 1.00 18.40 C +ATOM 1021 O THR A 109 -33.374 -2.486 -10.334 1.00 21.66 O +ATOM 1022 CB THR A 109 -32.836 -2.876 -7.165 1.00 17.12 C +ATOM 1023 OG1 THR A 109 -31.599 -2.521 -7.856 1.00 18.17 O +ATOM 1024 CG2 THR A 109 -32.484 -3.830 -6.069 1.00 19.27 C +ATOM 1025 N ARG A 110 -35.071 -1.675 -9.101 1.00 16.86 N +ATOM 1026 CA ARG A 110 -35.308 -0.583 -10.020 1.00 20.71 C +ATOM 1027 C ARG A 110 -35.626 0.623 -9.183 1.00 16.94 C +ATOM 1028 O ARG A 110 -36.453 0.556 -8.264 1.00 20.01 O +ATOM 1029 CB ARG A 110 -36.479 -0.893 -10.979 1.00 23.46 C +ATOM 1030 CG ARG A 110 -36.579 0.138 -12.042 1.00 23.71 C +ATOM 1031 CD ARG A 110 -37.623 -0.348 -13.093 1.00 34.60 C +ATOM 1032 NE ARG A 110 -37.732 0.617 -14.178 1.00 44.70 N +ATOM 1033 CZ ARG A 110 -38.466 1.730 -14.108 1.00 30.61 C +ATOM 1034 NH1 ARG A 110 -38.476 2.564 -15.139 1.00 43.98 N +ATOM 1035 NH2 ARG A 110 -39.148 2.035 -13.012 1.00 38.21 N +ATOM 1036 N ALA A 111 -34.968 1.739 -9.487 1.00 18.85 N +ATOM 1037 CA ALA A 111 -35.110 2.913 -8.676 1.00 19.71 C +ATOM 1038 C ALA A 111 -35.260 4.108 -9.582 1.00 17.65 C +ATOM 1039 O ALA A 111 -34.659 4.145 -10.658 1.00 20.45 O +ATOM 1040 CB ALA A 111 -33.900 3.125 -7.742 1.00 17.45 C +ATOM 1041 N GLU A 112 -36.059 5.083 -9.141 1.00 18.88 N +ATOM 1042 CA GLU A 112 -36.135 6.406 -9.781 1.00 18.38 C +ATOM 1043 C GLU A 112 -35.534 7.418 -8.826 1.00 19.21 C +ATOM 1044 O GLU A 112 -35.900 7.445 -7.649 1.00 20.06 O +ATOM 1045 CB GLU A 112 -37.570 6.802 -10.121 1.00 26.56 C +ATOM 1046 CG GLU A 112 -38.146 5.955 -11.222 1.00 31.41 C +ATOM 1047 CD GLU A 112 -39.622 6.256 -11.470 1.00 46.76 C +ATOM 1048 OE1 GLU A 112 -40.025 7.401 -11.201 1.00 38.21 O +ATOM 1049 OE2 GLU A 112 -40.339 5.328 -11.874 1.00 53.48 O +ATOM 1050 N VAL A 113 -34.540 8.165 -9.296 1.00 17.40 N +ATOM 1051 CA VAL A 113 -33.866 9.146 -8.474 1.00 17.91 C +ATOM 1052 C VAL A 113 -34.140 10.508 -9.093 1.00 22.52 C +ATOM 1053 O VAL A 113 -33.769 10.744 -10.242 1.00 21.49 O +ATOM 1054 CB VAL A 113 -32.352 8.867 -8.441 1.00 20.41 C +ATOM 1055 CG1 VAL A 113 -31.656 9.916 -7.582 1.00 21.07 C +ATOM 1056 CG2 VAL A 113 -32.084 7.385 -7.977 1.00 21.04 C +ATOM 1057 N LYS A 114 -34.810 11.378 -8.372 1.00 19.10 N +ATOM 1058 CA LYS A 114 -35.259 12.643 -8.978 1.00 22.25 C +ATOM 1059 C LYS A 114 -35.570 13.630 -7.868 1.00 20.74 C +ATOM 1060 O LYS A 114 -35.659 13.256 -6.716 1.00 22.67 O +ATOM 1061 CB LYS A 114 -36.514 12.431 -9.850 1.00 24.63 C +ATOM 1062 CG LYS A 114 -37.710 11.982 -9.051 1.00 27.16 C +ATOM 1063 CD LYS A 114 -38.967 12.029 -9.934 1.00 46.43 C +ATOM 1064 CE LYS A 114 -39.779 10.763 -9.842 1.00 69.98 C +ATOM 1065 NZ LYS A 114 -41.064 10.950 -10.590 1.00 91.17 N +ATOM 1066 N PHE A 115 -35.679 14.924 -8.222 1.00 20.62 N +ATOM 1067 CA PHE A 115 -36.110 15.911 -7.239 1.00 20.90 C +ATOM 1068 C PHE A 115 -37.646 15.998 -7.147 1.00 23.34 C +ATOM 1069 O PHE A 115 -38.346 15.868 -8.147 1.00 27.00 O +ATOM 1070 CB PHE A 115 -35.575 17.271 -7.609 1.00 22.96 C +ATOM 1071 CG PHE A 115 -34.182 17.494 -7.157 1.00 21.10 C +ATOM 1072 CD1 PHE A 115 -33.922 17.973 -5.905 1.00 23.63 C +ATOM 1073 CD2 PHE A 115 -33.137 17.237 -8.043 1.00 25.02 C +ATOM 1074 CE1 PHE A 115 -32.557 18.178 -5.473 1.00 30.06 C +ATOM 1075 CE2 PHE A 115 -31.803 17.458 -7.665 1.00 28.08 C +ATOM 1076 CZ PHE A 115 -31.517 17.941 -6.369 1.00 23.52 C +ATOM 1077 N GLU A 116 -38.139 16.108 -5.925 1.00 21.22 N +ATOM 1078 CA GLU A 116 -39.537 16.530 -5.635 1.00 21.03 C +ATOM 1079 C GLU A 116 -39.379 17.825 -4.877 1.00 22.13 C +ATOM 1080 O GLU A 116 -39.109 17.792 -3.676 1.00 24.81 O +ATOM 1081 CB GLU A 116 -40.240 15.531 -4.753 1.00 26.86 C +ATOM 1082 CG GLU A 116 -40.609 14.315 -5.415 1.00 32.99 C +ATOM 1083 CD GLU A 116 -41.834 14.495 -6.301 1.00 41.38 C +ATOM 1084 OE1 GLU A 116 -42.477 15.565 -6.306 1.00 33.90 O +ATOM 1085 OE2 GLU A 116 -42.100 13.545 -7.023 1.00 41.20 O1- +ATOM 1086 N GLY A 117 -39.533 18.978 -5.548 1.00 23.59 N +ATOM 1087 CA GLY A 117 -39.249 20.225 -4.883 1.00 24.85 C +ATOM 1088 C GLY A 117 -37.752 20.271 -4.629 1.00 26.85 C +ATOM 1089 O GLY A 117 -36.961 20.012 -5.525 1.00 28.28 O +ATOM 1090 N ASP A 118 -37.370 20.609 -3.422 1.00 25.24 N +ATOM 1091 CA AASP A 118 -35.965 20.711 -3.065 0.68 26.93 C +ATOM 1092 CA BASP A 118 -35.958 20.699 -3.091 0.32 26.98 C +ATOM 1093 C ASP A 118 -35.408 19.404 -2.532 1.00 26.25 C +ATOM 1094 O ASP A 118 -34.253 19.391 -2.093 1.00 27.72 O +ATOM 1095 CB AASP A 118 -35.769 21.777 -1.993 0.68 32.04 C +ATOM 1096 CB BASP A 118 -35.700 21.834 -2.094 0.32 32.30 C +ATOM 1097 CG AASP A 118 -35.940 23.203 -2.535 0.68 40.15 C +ATOM 1098 CG BASP A 118 -36.416 21.656 -0.756 0.32 26.84 C +ATOM 1099 OD1AASP A 118 -36.018 23.414 -3.764 0.68 39.85 O +ATOM 1100 OD1BASP A 118 -37.037 20.603 -0.474 0.32 32.09 O +ATOM 1101 OD2AASP A 118 -35.977 24.109 -1.707 0.68 45.85 O1- +ATOM 1102 OD2BASP A 118 -36.351 22.615 0.039 0.32 45.29 O1- +ATOM 1103 N THR A 119 -36.202 18.338 -2.504 1.00 21.80 N +ATOM 1104 CA THR A 119 -35.788 17.094 -1.842 1.00 24.89 C +ATOM 1105 C THR A 119 -35.395 16.098 -2.916 1.00 20.38 C +ATOM 1106 O THR A 119 -36.126 15.899 -3.864 1.00 21.61 O +ATOM 1107 CB THR A 119 -36.902 16.485 -0.991 1.00 26.60 C +ATOM 1108 OG1 THR A 119 -37.273 17.432 0.002 1.00 34.68 O +ATOM 1109 CG2 THR A 119 -36.449 15.182 -0.289 1.00 21.84 C +ATOM 1110 N LEU A 120 -34.227 15.472 -2.768 1.00 19.71 N +ATOM 1111 CA LEU A 120 -33.819 14.421 -3.698 1.00 21.55 C +ATOM 1112 C LEU A 120 -34.470 13.138 -3.210 1.00 19.72 C +ATOM 1113 O LEU A 120 -34.239 12.757 -2.063 1.00 20.85 O +ATOM 1114 CB LEU A 120 -32.277 14.295 -3.659 1.00 17.17 C +ATOM 1115 CG LEU A 120 -31.555 13.466 -4.751 1.00 24.29 C +ATOM 1116 CD1 LEU A 120 -31.671 12.006 -4.530 1.00 28.35 C +ATOM 1117 CD2 LEU A 120 -32.019 13.812 -6.180 1.00 28.95 C +ATOM 1118 N VAL A 121 -35.267 12.467 -4.056 1.00 16.93 N +ATOM 1119 CA VAL A 121 -35.954 11.253 -3.652 1.00 17.07 C +ATOM 1120 C VAL A 121 -35.385 10.074 -4.408 1.00 19.55 C +ATOM 1121 O VAL A 121 -35.145 10.154 -5.595 1.00 22.58 O +ATOM 1122 CB VAL A 121 -37.469 11.388 -3.977 1.00 21.85 C +ATOM 1123 CG1 VAL A 121 -38.269 10.097 -3.577 1.00 24.38 C +ATOM 1124 CG2 VAL A 121 -38.030 12.613 -3.200 1.00 22.79 C +ATOM 1125 N ASN A 122 -35.176 8.987 -3.702 1.00 18.31 N +ATOM 1126 CA ASN A 122 -34.777 7.724 -4.315 1.00 16.20 C +ATOM 1127 C ASN A 122 -35.859 6.702 -3.971 1.00 17.88 C +ATOM 1128 O ASN A 122 -35.976 6.301 -2.823 1.00 18.13 O +ATOM 1129 CB ASN A 122 -33.408 7.326 -3.725 1.00 17.27 C +ATOM 1130 CG ASN A 122 -32.893 6.033 -4.240 1.00 20.38 C +ATOM 1131 OD1 ASN A 122 -33.218 5.588 -5.336 1.00 20.00 O +ATOM 1132 ND2 ASN A 122 -31.947 5.449 -3.477 1.00 18.06 N +ATOM 1133 N AARG A 123 -36.641 6.290 -4.970 0.38 16.79 N +ATOM 1134 N BARG A 123 -36.683 6.328 -4.938 0.30 16.93 N +ATOM 1135 N CARG A 123 -36.649 6.303 -4.967 0.32 16.83 N +ATOM 1136 CA AARG A 123 -37.793 5.414 -4.769 0.38 16.49 C +ATOM 1137 CA BARG A 123 -37.766 5.397 -4.659 0.30 16.43 C +ATOM 1138 CA CARG A 123 -37.782 5.405 -4.764 0.32 16.47 C +ATOM 1139 C AARG A 123 -37.465 4.081 -5.404 0.38 17.24 C +ATOM 1140 C BARG A 123 -37.459 4.097 -5.364 0.30 17.23 C +ATOM 1141 C CARG A 123 -37.437 4.076 -5.400 0.32 17.27 C +ATOM 1142 O AARG A 123 -37.199 4.029 -6.612 0.38 21.73 O +ATOM 1143 O BARG A 123 -37.202 4.090 -6.575 0.30 21.62 O +ATOM 1144 O CARG A 123 -37.159 4.025 -6.604 0.32 21.69 O +ATOM 1145 CB AARG A 123 -39.052 6.030 -5.403 0.38 20.30 C +ATOM 1146 CB BARG A 123 -39.122 5.950 -5.104 0.30 20.78 C +ATOM 1147 CB CARG A 123 -39.061 5.975 -5.389 0.32 20.39 C +ATOM 1148 CG AARG A 123 -39.719 7.051 -4.543 0.38 20.97 C +ATOM 1149 CG BARG A 123 -40.223 5.024 -4.685 0.30 24.01 C +ATOM 1150 CG CARG A 123 -40.142 4.917 -5.484 0.32 22.94 C +ATOM 1151 CD AARG A 123 -40.973 7.659 -5.213 0.38 29.62 C +ATOM 1152 CD BARG A 123 -41.507 5.806 -4.570 0.30 42.75 C +ATOM 1153 CD CARG A 123 -40.881 4.829 -4.175 0.32 37.39 C +ATOM 1154 NE AARG A 123 -40.605 8.794 -6.044 0.38 43.56 N +ATOM 1155 NE BARG A 123 -41.662 6.659 -5.736 0.30 28.87 N +ATOM 1156 NE CARG A 123 -42.153 5.546 -4.119 0.32 41.22 N +ATOM 1157 CZ AARG A 123 -41.160 9.998 -5.980 0.38 39.04 C +ATOM 1158 CZ BARG A 123 -42.292 6.283 -6.841 0.30 39.55 C +ATOM 1159 CZ CARG A 123 -43.022 5.418 -3.124 0.32 43.74 C +ATOM 1160 NH1AARG A 123 -42.159 10.231 -5.145 0.38 41.68 N +ATOM 1161 NH1BARG A 123 -42.821 5.072 -6.912 0.30 37.88 N +ATOM 1162 NH1CARG A 123 -42.764 4.595 -2.116 0.32 46.53 N +ATOM 1163 NH2AARG A 123 -40.728 10.965 -6.776 0.38 35.19 N +ATOM 1164 NH2BARG A 123 -42.400 7.118 -7.870 0.30 35.28 N +ATOM 1165 NH2CARG A 123 -44.155 6.104 -3.139 0.32 62.78 N +ATOM 1166 N ILE A 124 -37.459 3.006 -4.604 1.00 17.01 N +ATOM 1167 CA ILE A 124 -36.883 1.753 -5.057 1.00 15.76 C +ATOM 1168 C ILE A 124 -37.882 0.626 -4.906 1.00 17.61 C +ATOM 1169 O ILE A 124 -38.578 0.579 -3.900 1.00 19.82 O +ATOM 1170 CB ILE A 124 -35.645 1.391 -4.189 1.00 18.17 C +ATOM 1171 CG1 ILE A 124 -34.723 2.596 -4.045 1.00 21.45 C +ATOM 1172 CG2 ILE A 124 -34.945 0.205 -4.788 1.00 20.11 C +ATOM 1173 CD1 ILE A 124 -34.051 2.604 -2.676 1.00 23.85 C +ATOM 1174 N GLU A 125 -37.930 -0.268 -5.882 1.00 19.41 N +ATOM 1175 CA AGLU A 125 -38.587 -1.564 -5.730 0.48 19.10 C +ATOM 1176 CA BGLU A 125 -38.579 -1.559 -5.712 0.52 19.09 C +ATOM 1177 C GLU A 125 -37.506 -2.629 -5.789 1.00 18.32 C +ATOM 1178 O GLU A 125 -36.624 -2.570 -6.647 1.00 20.00 O +ATOM 1179 CB AGLU A 125 -39.626 -1.823 -6.833 0.48 23.28 C +ATOM 1180 CB BGLU A 125 -39.626 -1.809 -6.798 0.52 23.30 C +ATOM 1181 CG AGLU A 125 -39.117 -1.526 -8.220 0.48 29.55 C +ATOM 1182 CG BGLU A 125 -40.767 -0.793 -6.798 0.52 23.86 C +ATOM 1183 CD AGLU A 125 -40.114 -1.799 -9.354 0.48 41.33 C +ATOM 1184 CD BGLU A 125 -41.723 -1.048 -7.967 0.52 34.07 C +ATOM 1185 OE1AGLU A 125 -41.136 -1.094 -9.431 0.48 34.68 O +ATOM 1186 OE1BGLU A 125 -41.890 -2.235 -8.347 0.52 37.85 O +ATOM 1187 OE2AGLU A 125 -39.835 -2.691 -10.187 0.48 38.66 O1- +ATOM 1188 OE2BGLU A 125 -42.265 -0.064 -8.514 0.52 45.64 O1- +ATOM 1189 N LEU A 126 -37.570 -3.572 -4.878 1.00 19.38 N +ATOM 1190 CA LEU A 126 -36.574 -4.643 -4.814 1.00 20.01 C +ATOM 1191 C LEU A 126 -37.314 -5.978 -4.780 1.00 24.26 C +ATOM 1192 O LEU A 126 -38.296 -6.123 -4.046 1.00 22.72 O +ATOM 1193 CB LEU A 126 -35.723 -4.462 -3.568 1.00 17.94 C +ATOM 1194 CG LEU A 126 -34.684 -5.571 -3.310 1.00 22.36 C +ATOM 1195 CD1 LEU A 126 -33.506 -4.999 -2.481 1.00 22.26 C +ATOM 1196 CD2 LEU A 126 -35.205 -6.781 -2.501 1.00 26.27 C +ATOM 1197 N LYS A 127 -36.851 -6.932 -5.573 1.00 19.22 N +ATOM 1198 CA LYS A 127 -37.398 -8.280 -5.595 1.00 20.60 C +ATOM 1199 C LYS A 127 -36.212 -9.221 -5.407 1.00 24.24 C +ATOM 1200 O LYS A 127 -35.191 -9.082 -6.093 1.00 24.90 O +ATOM 1201 CB LYS A 127 -38.138 -8.529 -6.932 1.00 27.28 C +ATOM 1202 CG LYS A 127 -38.852 -9.866 -7.027 1.00 38.09 C +ATOM 1203 CD LYS A 127 -40.131 -9.862 -6.194 1.00 50.31 C +ATOM 1204 CE LYS A 127 -41.128 -11.021 -6.563 1.00 41.97 C +ATOM 1205 NZ LYS A 127 -41.642 -10.875 -7.953 1.00 58.15 N +ATOM 1206 N GLY A 128 -36.302 -10.104 -4.435 1.00 20.69 N +ATOM 1207 CA GLY A 128 -35.206 -11.019 -4.192 1.00 22.29 C +ATOM 1208 C GLY A 128 -35.785 -12.416 -4.290 1.00 26.14 C +ATOM 1209 O GLY A 128 -36.891 -12.676 -3.772 1.00 24.39 O +ATOM 1210 N ILE A 129 -35.076 -13.286 -4.997 1.00 23.68 N +ATOM 1211 CA ILE A 129 -35.560 -14.650 -5.181 1.00 23.15 C +ATOM 1212 C ILE A 129 -34.393 -15.623 -5.072 1.00 21.50 C +ATOM 1213 O ILE A 129 -33.220 -15.267 -5.227 1.00 22.29 O +ATOM 1214 CB ILE A 129 -36.292 -14.870 -6.539 1.00 25.90 C +ATOM 1215 CG1 ILE A 129 -35.327 -14.706 -7.699 1.00 30.75 C +ATOM 1216 CG2 ILE A 129 -37.564 -13.955 -6.662 1.00 23.17 C +ATOM 1217 CD1 ILE A 129 -35.884 -15.253 -8.983 1.00 40.96 C +ATOM 1218 N AASP A 130 -34.742 -16.897 -4.838 0.62 23.03 N +ATOM 1219 N BASP A 130 -34.764 -16.877 -4.775 0.38 22.98 N +ATOM 1220 CA AASP A 130 -33.794 -18.000 -4.832 0.62 24.64 C +ATOM 1221 CA BASP A 130 -33.872 -18.029 -4.765 0.38 24.65 C +ATOM 1222 C AASP A 130 -32.790 -17.926 -3.675 0.62 25.77 C +ATOM 1223 C BASP A 130 -32.803 -17.924 -3.678 0.38 25.78 C +ATOM 1224 O AASP A 130 -31.718 -18.545 -3.740 0.62 25.55 O +ATOM 1225 O BASP A 130 -31.713 -18.491 -3.803 0.38 25.44 O +ATOM 1226 CB AASP A 130 -33.055 -18.105 -6.182 0.62 25.11 C +ATOM 1227 CB BASP A 130 -33.245 -18.262 -6.144 0.38 24.32 C +ATOM 1228 CG AASP A 130 -33.938 -18.623 -7.305 0.62 33.50 C +ATOM 1229 CG BASP A 130 -32.802 -19.710 -6.345 0.38 41.48 C +ATOM 1230 OD1AASP A 130 -34.897 -19.352 -7.008 0.62 32.87 O +ATOM 1231 OD1BASP A 130 -33.214 -20.559 -5.528 0.38 37.65 O +ATOM 1232 OD2AASP A 130 -33.680 -18.275 -8.483 0.62 39.98 O1- +ATOM 1233 OD2BASP A 130 -32.043 -19.995 -7.302 0.38 40.62 O1- +ATOM 1234 N PHE A 131 -33.122 -17.259 -2.573 1.00 22.69 N +ATOM 1235 CA PHE A 131 -32.239 -17.291 -1.397 1.00 25.83 C +ATOM 1236 C PHE A 131 -32.430 -18.531 -0.563 1.00 26.60 C +ATOM 1237 O PHE A 131 -33.514 -19.113 -0.530 1.00 26.17 O +ATOM 1238 CB PHE A 131 -32.481 -16.092 -0.512 1.00 25.78 C +ATOM 1239 CG PHE A 131 -31.922 -14.863 -1.091 1.00 24.38 C +ATOM 1240 CD1 PHE A 131 -30.614 -14.489 -0.819 1.00 23.97 C +ATOM 1241 CD2 PHE A 131 -32.705 -14.096 -1.967 1.00 23.15 C +ATOM 1242 CE1 PHE A 131 -30.090 -13.346 -1.378 1.00 23.98 C +ATOM 1243 CE2 PHE A 131 -32.177 -12.969 -2.565 1.00 21.22 C +ATOM 1244 CZ PHE A 131 -30.883 -12.575 -2.258 1.00 21.74 C +ATOM 1245 N LYS A 132 -31.319 -18.987 0.028 1.00 28.94 N +ATOM 1246 CA LYS A 132 -31.282 -20.165 0.885 1.00 26.97 C +ATOM 1247 C LYS A 132 -31.639 -19.765 2.307 1.00 32.68 C +ATOM 1248 O LYS A 132 -31.077 -18.816 2.846 1.00 30.52 O +ATOM 1249 CB LYS A 132 -29.883 -20.783 0.868 1.00 29.12 C +ATOM 1250 CG LYS A 132 -29.485 -21.374 -0.488 1.00 40.99 C +ATOM 1251 CD LYS A 132 -28.057 -21.940 -0.457 1.00 42.09 C +ATOM 1252 CE LYS A 132 -27.669 -22.429 0.967 1.00 86.53 C +ATOM 1253 NZ LYS A 132 -26.206 -22.713 1.183 1.00 74.66 N +ATOM 1254 N GLU A 133 -32.561 -20.508 2.930 1.00 36.20 N +ATOM 1255 CA GLU A 133 -32.990 -20.153 4.279 1.00 35.38 C +ATOM 1256 C GLU A 133 -31.842 -20.270 5.283 1.00 38.25 C +ATOM 1257 O GLU A 133 -31.795 -19.530 6.265 1.00 52.79 O +ATOM 1258 CB GLU A 133 -34.170 -21.040 4.681 1.00 46.93 C +ATOM 1259 CG GLU A 133 -35.290 -20.958 3.658 1.00 40.99 C +ATOM 1260 CD GLU A 133 -36.315 -19.906 4.008 1.00 85.46 C +ATOM 1261 OE1 GLU A 133 -36.357 -19.517 5.199 1.00 96.48 O +ATOM 1262 OE2 GLU A 133 -37.076 -19.472 3.098 1.00 90.77 O1- +ATOM 1263 N ASP A 134 -30.899 -21.162 5.036 1.00 37.16 N +ATOM 1264 CA ASP A 134 -29.775 -21.342 5.940 1.00 53.84 C +ATOM 1265 C ASP A 134 -28.531 -20.603 5.455 1.00 54.38 C +ATOM 1266 O ASP A 134 -27.440 -20.795 6.001 1.00 48.04 O +ATOM 1267 CB ASP A 134 -29.488 -22.840 6.107 1.00 49.72 C +ATOM 1268 CG ASP A 134 -29.278 -23.543 4.774 1.00 65.09 C +ATOM 1269 OD1 ASP A 134 -29.790 -23.054 3.739 1.00 64.24 O +ATOM 1270 OD2 ASP A 134 -28.597 -24.585 4.753 1.00 90.96 O1- +ATOM 1271 N GLY A 135 -28.661 -19.775 4.429 1.00 37.37 N +ATOM 1272 CA GLY A 135 -27.511 -19.072 3.924 1.00 25.32 C +ATOM 1273 C GLY A 135 -27.155 -17.854 4.755 1.00 27.62 C +ATOM 1274 O GLY A 135 -27.747 -17.539 5.789 1.00 30.93 O +ATOM 1275 N ASN A 136 -26.137 -17.153 4.255 1.00 24.76 N +ATOM 1276 CA ASN A 136 -25.574 -16.023 4.977 1.00 23.58 C +ATOM 1277 C ASN A 136 -26.512 -14.830 5.042 1.00 22.27 C +ATOM 1278 O ASN A 136 -26.328 -13.978 5.906 1.00 26.05 O +ATOM 1279 CB ASN A 136 -24.270 -15.581 4.320 1.00 24.20 C +ATOM 1280 CG ASN A 136 -23.191 -16.609 4.450 1.00 35.29 C +ATOM 1281 OD1 ASN A 136 -23.072 -17.270 5.495 1.00 29.23 O +ATOM 1282 ND2 ASN A 136 -22.426 -16.792 3.382 1.00 26.31 N +ATOM 1283 N ILE A 137 -27.467 -14.742 4.112 1.00 25.25 N +ATOM 1284 CA ILE A 137 -28.297 -13.557 3.941 1.00 24.97 C +ATOM 1285 C ILE A 137 -29.544 -13.768 4.811 1.00 23.85 C +ATOM 1286 O ILE A 137 -29.742 -13.054 5.800 1.00 23.96 O +ATOM 1287 CB ILE A 137 -28.627 -13.329 2.443 1.00 23.52 C +ATOM 1288 CG1 ILE A 137 -27.389 -12.805 1.662 1.00 29.79 C +ATOM 1289 CG2 ILE A 137 -29.674 -12.169 2.309 1.00 26.75 C +ATOM 1290 CD1 ILE A 137 -26.431 -13.750 1.279 1.00 42.80 C +ATOM 1291 N LEU A 138 -30.348 -14.790 4.496 1.00 24.97 N +ATOM 1292 CA LEU A 138 -31.548 -15.027 5.330 1.00 29.60 C +ATOM 1293 C LEU A 138 -31.207 -15.534 6.729 1.00 28.39 C +ATOM 1294 O LEU A 138 -32.032 -15.368 7.654 1.00 29.61 O +ATOM 1295 CB LEU A 138 -32.498 -16.023 4.667 1.00 29.75 C +ATOM 1296 CG LEU A 138 -33.164 -15.466 3.407 1.00 34.08 C +ATOM 1297 CD1 LEU A 138 -34.096 -16.491 2.762 1.00 30.74 C +ATOM 1298 CD2 LEU A 138 -33.944 -14.173 3.771 1.00 35.27 C +ATOM 1299 N GLY A 139 -30.017 -16.130 6.909 1.00 26.35 N +ATOM 1300 CA GLY A 139 -29.502 -16.515 8.200 1.00 28.56 C +ATOM 1301 C GLY A 139 -28.827 -15.438 9.010 1.00 33.02 C +ATOM 1302 O GLY A 139 -28.400 -15.730 10.122 1.00 30.95 O +ATOM 1303 N HIS A 140 -28.742 -14.210 8.506 1.00 24.73 N +ATOM 1304 CA HIS A 140 -28.067 -13.078 9.169 1.00 23.11 C +ATOM 1305 C HIS A 140 -26.727 -13.459 9.759 1.00 22.30 C +ATOM 1306 O HIS A 140 -26.450 -13.256 10.946 1.00 28.77 O +ATOM 1307 CB HIS A 140 -28.931 -12.473 10.270 1.00 27.68 C +ATOM 1308 CG HIS A 140 -30.228 -11.936 9.767 1.00 32.96 C +ATOM 1309 ND1 HIS A 140 -30.410 -10.602 9.524 1.00 27.29 N +ATOM 1310 CD2 HIS A 140 -31.381 -12.555 9.424 1.00 36.52 C +ATOM 1311 CE1 HIS A 140 -31.640 -10.411 9.070 1.00 29.84 C +ATOM 1312 NE2 HIS A 140 -32.245 -11.586 8.993 1.00 31.76 N +ATOM 1313 N LYS A 141 -25.834 -13.868 8.877 1.00 23.51 N +ATOM 1314 CA LYS A 141 -24.444 -14.153 9.267 1.00 22.83 C +ATOM 1315 C LYS A 141 -23.426 -13.088 8.848 1.00 26.40 C +ATOM 1316 O LYS A 141 -22.221 -13.290 9.012 1.00 28.85 O +ATOM 1317 CB LYS A 141 -24.043 -15.489 8.664 1.00 25.99 C +ATOM 1318 CG LYS A 141 -25.026 -16.532 9.129 1.00 26.77 C +ATOM 1319 CD LYS A 141 -24.678 -17.901 8.613 1.00 39.69 C +ATOM 1320 CE LYS A 141 -25.680 -18.904 9.125 1.00 46.17 C +ATOM 1321 NZ LYS A 141 -25.443 -20.177 8.392 1.00 72.91 N +ATOM 1322 N LEU A 142 -23.868 -11.969 8.299 1.00 23.20 N +ATOM 1323 CA LEU A 142 -22.941 -10.951 7.849 1.00 19.72 C +ATOM 1324 C LEU A 142 -22.586 -10.033 8.995 1.00 24.56 C +ATOM 1325 O LEU A 142 -23.436 -9.699 9.839 1.00 27.46 O +ATOM 1326 CB LEU A 142 -23.577 -10.151 6.686 1.00 21.72 C +ATOM 1327 CG LEU A 142 -23.938 -10.959 5.442 1.00 23.34 C +ATOM 1328 CD1 LEU A 142 -24.250 -9.954 4.352 1.00 26.97 C +ATOM 1329 CD2 LEU A 142 -22.772 -11.828 5.032 1.00 33.01 C +ATOM 1330 N GLU A 143 -21.337 -9.583 9.022 1.00 20.90 N +ATOM 1331 CA GLU A 143 -20.984 -8.593 10.005 1.00 22.35 C +ATOM 1332 C GLU A 143 -21.601 -7.240 9.630 1.00 20.47 C +ATOM 1333 O GLU A 143 -21.845 -6.928 8.451 1.00 23.84 O +ATOM 1334 CB GLU A 143 -19.469 -8.399 10.066 1.00 31.86 C +ATOM 1335 CG GLU A 143 -18.716 -9.656 10.454 1.00 35.73 C +ATOM 1336 CD GLU A 143 -17.222 -9.397 10.673 1.00 51.78 C +ATOM 1337 OE1 GLU A 143 -16.651 -8.426 10.077 1.00 36.63 O +ATOM 1338 OE2 GLU A 143 -16.637 -10.190 11.453 1.00 53.36 O1- +ATOM 1339 N TYR A 144 -21.739 -6.396 10.649 1.00 23.60 N +ATOM 1340 CA TYR A 144 -22.339 -5.065 10.457 1.00 20.86 C +ATOM 1341 C TYR A 144 -21.227 -4.085 10.169 1.00 21.54 C +ATOM 1342 O TYR A 144 -20.799 -3.313 11.035 1.00 29.04 O +ATOM 1343 CB TYR A 144 -23.119 -4.666 11.711 1.00 19.79 C +ATOM 1344 CG TYR A 144 -23.980 -3.419 11.543 1.00 19.52 C +ATOM 1345 CD1 TYR A 144 -25.127 -3.462 10.737 1.00 24.20 C +ATOM 1346 CD2 TYR A 144 -23.657 -2.237 12.202 1.00 23.54 C +ATOM 1347 CE1 TYR A 144 -25.933 -2.329 10.621 1.00 23.74 C +ATOM 1348 CE2 TYR A 144 -24.450 -1.100 12.067 1.00 24.32 C +ATOM 1349 CZ TYR A 144 -25.563 -1.162 11.276 1.00 24.90 C +ATOM 1350 OH TYR A 144 -26.352 -0.022 11.187 1.00 23.55 O +ATOM 1351 N ASN A 145 -20.744 -4.112 8.912 1.00 21.61 N +ATOM 1352 CA AASN A 145 -19.653 -3.241 8.490 0.76 20.60 C +ATOM 1353 CA BASN A 145 -19.551 -3.388 8.487 0.24 21.05 C +ATOM 1354 C ASN A 145 -19.602 -3.292 6.969 1.00 22.59 C +ATOM 1355 O ASN A 145 -20.449 -3.918 6.321 1.00 24.86 O +ATOM 1356 CB AASN A 145 -18.319 -3.605 9.128 0.76 25.83 C +ATOM 1357 CB BASN A 145 -18.270 -4.090 8.965 0.24 26.43 C +ATOM 1358 CG AASN A 145 -17.897 -5.001 8.817 0.76 35.05 C +ATOM 1359 CG BASN A 145 -17.008 -3.279 8.694 0.24 28.24 C +ATOM 1360 OD1AASN A 145 -18.262 -5.575 7.782 0.76 31.90 O +ATOM 1361 OD1BASN A 145 -17.030 -2.049 8.681 0.24 31.92 O +ATOM 1362 ND2AASN A 145 -17.092 -5.569 9.711 0.76 36.17 N +ATOM 1363 ND2BASN A 145 -15.901 -3.978 8.464 0.24 34.67 N +ATOM 1364 N TYR A 146 -18.673 -2.535 6.403 1.00 23.07 N +ATOM 1365 CA TYR A 146 -18.680 -2.335 4.971 1.00 22.19 C +ATOM 1366 C TYR A 146 -17.280 -1.970 4.528 1.00 26.18 C +ATOM 1367 O TYR A 146 -16.620 -1.176 5.195 1.00 31.03 O +ATOM 1368 CB TYR A 146 -19.627 -1.195 4.593 1.00 24.47 C +ATOM 1369 CG TYR A 146 -20.269 -1.441 3.273 1.00 23.22 C +ATOM 1370 CD1 TYR A 146 -21.358 -2.325 3.180 1.00 23.34 C +ATOM 1371 CD2 TYR A 146 -19.802 -0.828 2.125 1.00 24.18 C +ATOM 1372 CE1 TYR A 146 -21.956 -2.582 1.953 1.00 24.09 C +ATOM 1373 CE2 TYR A 146 -20.393 -1.070 0.887 1.00 27.82 C +ATOM 1374 CZ TYR A 146 -21.475 -1.938 0.813 1.00 22.98 C +ATOM 1375 OH TYR A 146 -22.095 -2.209 -0.406 1.00 26.21 O +ATOM 1376 N ASN A 147 -16.841 -2.567 3.437 1.00 24.93 N +ATOM 1377 CA ASN A 147 -15.493 -2.358 2.903 1.00 26.39 C +ATOM 1378 C ASN A 147 -15.442 -1.232 1.870 1.00 29.25 C +ATOM 1379 O ASN A 147 -16.396 -1.014 1.129 1.00 27.94 O +ATOM 1380 CB ASN A 147 -15.031 -3.659 2.223 1.00 26.37 C +ATOM 1381 CG ASN A 147 -14.823 -4.745 3.234 1.00 28.46 C +ATOM 1382 OD1 ASN A 147 -14.138 -4.509 4.207 1.00 36.76 O +ATOM 1383 ND2 ASN A 147 -15.430 -5.907 3.048 1.00 34.91 N +ATOM 1384 N SER A 148 -14.316 -0.510 1.815 1.00 23.18 N +ATOM 1385 CA ASER A 148 -14.159 0.498 0.774 0.56 22.94 C +ATOM 1386 CA BSER A 148 -14.132 0.499 0.774 0.44 22.96 C +ATOM 1387 C SER A 148 -14.019 -0.180 -0.585 1.00 29.24 C +ATOM 1388 O SER A 148 -13.595 -1.325 -0.682 1.00 28.89 O +ATOM 1389 CB ASER A 148 -12.944 1.365 1.078 0.56 29.24 C +ATOM 1390 CB BSER A 148 -12.887 1.341 1.032 0.44 29.21 C +ATOM 1391 OG ASER A 148 -13.131 1.879 2.384 0.56 30.12 O +ATOM 1392 OG BSER A 148 -11.788 0.497 1.223 0.44 30.22 O +ATOM 1393 N AHIS A 149 -14.365 0.389 -1.594 0.77 24.06 N +ATOM 1394 N BHIS A 149 -14.437 0.553 -1.624 0.11 24.12 N +ATOM 1395 N CHIS A 149 -14.295 0.541 -1.641 0.12 24.48 N +ATOM 1396 CA AHIS A 149 -14.601 -0.174 -2.924 0.77 22.90 C +ATOM 1397 CA BHIS A 149 -14.561 0.036 -2.977 0.11 23.34 C +ATOM 1398 CA CHIS A 149 -13.811 0.003 -2.902 0.12 25.39 C +ATOM 1399 C AHIS A 149 -14.328 0.878 -4.008 0.77 22.18 C +ATOM 1400 C BHIS A 149 -14.202 1.089 -4.004 0.11 23.36 C +ATOM 1401 C CHIS A 149 -13.991 1.055 -3.961 0.12 23.43 C +ATOM 1402 O AHIS A 149 -14.832 2.000 -3.870 0.77 22.67 O +ATOM 1403 O BHIS A 149 -14.426 2.285 -3.802 0.11 21.75 O +ATOM 1404 O CHIS A 149 -14.440 2.181 -3.714 0.12 21.94 O +ATOM 1405 CB AHIS A 149 -16.072 -0.666 -2.995 0.77 20.91 C +ATOM 1406 CB BHIS A 149 -15.982 -0.386 -3.284 0.11 23.41 C +ATOM 1407 CB CHIS A 149 -14.555 -1.255 -3.329 0.12 20.93 C +ATOM 1408 CG AHIS A 149 -16.418 -1.305 -4.289 0.77 21.58 C +ATOM 1409 CG BHIS A 149 -16.490 -1.447 -2.389 0.11 26.23 C +ATOM 1410 CG CHIS A 149 -16.024 -1.059 -3.299 0.12 22.57 C +ATOM 1411 ND1AHIS A 149 -17.388 -0.808 -5.145 0.77 27.15 N +ATOM 1412 ND1BHIS A 149 -17.476 -1.206 -1.467 0.11 34.39 N +ATOM 1413 ND1CHIS A 149 -16.776 -1.017 -4.451 0.12 19.78 N +ATOM 1414 CD2AHIS A 149 -15.930 -2.421 -4.878 0.77 17.37 C +ATOM 1415 CD2BHIS A 149 -16.166 -2.754 -2.275 0.11 27.96 C +ATOM 1416 CD2CHIS A 149 -16.895 -0.998 -2.271 0.12 22.47 C +ATOM 1417 CE1AHIS A 149 -17.519 -1.618 -6.184 0.77 17.34 C +ATOM 1418 CE1BHIS A 149 -17.757 -2.331 -0.844 0.11 33.50 C +ATOM 1419 CE1CHIS A 149 -18.048 -0.892 -4.133 0.12 29.91 C +ATOM 1420 NE2AHIS A 149 -16.634 -2.597 -6.048 0.77 24.13 N +ATOM 1421 NE2BHIS A 149 -16.957 -3.279 -1.288 0.11 29.05 N +ATOM 1422 NE2CHIS A 149 -18.143 -0.876 -2.816 0.12 31.94 N +ATOM 1423 N ASN A 150 -13.721 0.626 -5.150 1.00 24.53 N +ATOM 1424 CA ASN A 150 -13.665 1.470 -6.332 1.00 27.02 C +ATOM 1425 C ASN A 150 -14.493 0.814 -7.411 1.00 25.23 C +ATOM 1426 O ASN A 150 -14.381 -0.389 -7.619 1.00 30.31 O +ATOM 1427 CB ASN A 150 -12.261 1.645 -6.898 1.00 27.07 C +ATOM 1428 CG ASN A 150 -11.317 2.282 -5.894 1.00 40.06 C +ATOM 1429 OD1 ASN A 150 -11.729 3.103 -5.095 1.00 32.42 O +ATOM 1430 ND2 ASN A 150 -10.067 1.848 -5.890 1.00 48.33 N +ATOM 1431 N AVAL A 151 -15.313 1.613 -8.103 0.66 22.82 N +ATOM 1432 N CVAL A 151 -15.324 1.579 -8.084 0.34 22.77 N +ATOM 1433 CA AVAL A 151 -16.223 1.117 -9.145 0.66 22.11 C +ATOM 1434 CA CVAL A 151 -16.115 0.981 -9.149 0.34 22.36 C +ATOM 1435 C AVAL A 151 -15.982 1.852 -10.460 0.66 23.17 C +ATOM 1436 C CVAL A 151 -15.771 1.680 -10.448 0.34 23.37 C +ATOM 1437 O AVAL A 151 -16.000 3.088 -10.493 0.66 19.57 O +ATOM 1438 O CVAL A 151 -15.301 2.818 -10.439 0.34 19.94 O +ATOM 1439 CB AVAL A 151 -17.708 1.237 -8.741 0.66 22.76 C +ATOM 1440 CB CVAL A 151 -17.621 1.028 -8.831 0.34 23.34 C +ATOM 1441 CG1AVAL A 151 -18.113 2.670 -8.367 0.66 26.51 C +ATOM 1442 CG1CVAL A 151 -17.830 0.339 -7.486 0.34 24.40 C +ATOM 1443 CG2AVAL A 151 -18.575 0.710 -9.850 0.66 19.89 C +ATOM 1444 CG2CVAL A 151 -18.148 2.453 -8.815 0.34 25.85 C +ATOM 1445 N ATYR A 152 -15.831 1.081 -11.542 0.51 22.13 N +ATOM 1446 N BTYR A 152 -15.919 0.953 -11.554 0.12 21.94 N +ATOM 1447 N CTYR A 152 -15.856 1.020 -11.505 0.37 22.05 N +ATOM 1448 CA ATYR A 152 -15.558 1.579 -12.890 0.51 23.43 C +ATOM 1449 CA BTYR A 152 -15.677 1.485 -12.887 0.12 23.55 C +ATOM 1450 CA CTYR A 152 -15.598 1.682 -12.778 0.37 23.32 C +ATOM 1451 C ATYR A 152 -16.871 1.917 -13.605 0.51 24.21 C +ATOM 1452 C BTYR A 152 -17.004 1.986 -13.450 0.12 24.21 C +ATOM 1453 C CTYR A 152 -16.887 1.938 -13.566 0.37 24.17 C +ATOM 1454 O ATYR A 152 -17.746 1.053 -13.754 0.51 25.87 O +ATOM 1455 O BTYR A 152 -18.030 1.313 -13.325 0.12 25.16 O +ATOM 1456 O CTYR A 152 -17.738 1.058 -13.729 0.37 25.81 O +ATOM 1457 CB ATYR A 152 -14.790 0.501 -13.659 0.51 22.32 C +ATOM 1458 CB BTYR A 152 -15.106 0.419 -13.842 0.12 24.13 C +ATOM 1459 CB CTYR A 152 -14.636 0.852 -13.619 0.37 21.32 C +ATOM 1460 CG ATYR A 152 -14.131 0.907 -14.967 0.51 25.30 C +ATOM 1461 CG BTYR A 152 -13.899 -0.437 -13.425 0.12 31.15 C +ATOM 1462 CG CTYR A 152 -13.192 1.010 -13.218 0.37 24.69 C +ATOM 1463 CD1ATYR A 152 -13.254 1.990 -15.015 0.51 33.82 C +ATOM 1464 CD1BTYR A 152 -13.494 -0.569 -12.100 0.12 26.18 C +ATOM 1465 CD1CTYR A 152 -12.724 0.435 -12.049 0.37 26.13 C +ATOM 1466 CD2ATYR A 152 -14.345 0.179 -16.130 0.51 27.00 C +ATOM 1467 CD2BTYR A 152 -13.174 -1.137 -14.393 0.12 18.70 C +ATOM 1468 CD2CTYR A 152 -12.316 1.746 -13.990 0.37 26.99 C +ATOM 1469 CE1ATYR A 152 -12.637 2.350 -16.193 0.51 31.29 C +ATOM 1470 CE1BTYR A 152 -12.405 -1.366 -11.758 0.12 33.00 C +ATOM 1471 CE1CTYR A 152 -11.423 0.573 -11.656 0.37 30.64 C +ATOM 1472 CE2ATYR A 152 -13.713 0.517 -17.311 0.51 34.04 C +ATOM 1473 CE2BTYR A 152 -12.088 -1.927 -14.062 0.12 32.11 C +ATOM 1474 CE2CTYR A 152 -10.976 1.892 -13.609 0.37 26.32 C +ATOM 1475 CZ ATYR A 152 -12.869 1.606 -17.332 0.51 35.44 C +ATOM 1476 CZ BTYR A 152 -11.705 -2.036 -12.745 0.12 29.15 C +ATOM 1477 CZ CTYR A 152 -10.547 1.295 -12.431 0.37 34.03 C +ATOM 1478 OH ATYR A 152 -12.247 1.966 -18.494 0.51 48.27 O +ATOM 1479 OH BTYR A 152 -10.626 -2.823 -12.423 0.12 37.78 O +ATOM 1480 OH CTYR A 152 -9.238 1.401 -12.009 0.37 35.35 O +ATOM 1481 N ILE A 153 -16.991 3.160 -14.077 1.00 18.99 N +ATOM 1482 CA ILE A 153 -18.171 3.664 -14.775 1.00 19.14 C +ATOM 1483 C ILE A 153 -17.846 3.760 -16.263 1.00 29.03 C +ATOM 1484 O ILE A 153 -16.852 4.408 -16.632 1.00 28.19 O +ATOM 1485 CB ILE A 153 -18.547 5.055 -14.246 1.00 22.59 C +ATOM 1486 CG1 ILE A 153 -18.793 5.055 -12.723 1.00 29.01 C +ATOM 1487 CG2 ILE A 153 -19.715 5.626 -15.023 1.00 24.86 C +ATOM 1488 CD1 ILE A 153 -19.759 4.052 -12.313 1.00 34.48 C +ATOM 1489 N MET A 154 -18.726 3.215 -17.120 1.00 26.46 N +ATOM 1490 CA MET A 154 -18.573 3.360 -18.571 1.00 26.91 C +ATOM 1491 C MET A 154 -19.854 3.894 -19.186 1.00 28.00 C +ATOM 1492 O MET A 154 -20.969 3.629 -18.697 1.00 25.55 O +ATOM 1493 CB MET A 154 -18.249 2.017 -19.233 1.00 35.44 C +ATOM 1494 CG MET A 154 -17.092 1.307 -18.567 1.00 59.25 C +ATOM 1495 SD MET A 154 -17.159 -0.400 -19.109 1.00 62.18 S +ATOM 1496 CE MET A 154 -17.891 -0.169 -20.752 1.00 55.34 C +ATOM 1497 N ALA A 155 -19.682 4.640 -20.284 1.00 25.07 N +ATOM 1498 CA ALA A 155 -20.835 5.161 -21.013 1.00 23.31 C +ATOM 1499 C ALA A 155 -21.479 4.053 -21.811 1.00 27.40 C +ATOM 1500 O ALA A 155 -20.849 3.080 -22.219 1.00 30.03 O +ATOM 1501 CB ALA A 155 -20.448 6.300 -21.966 1.00 27.94 C +ATOM 1502 N ASP A 156 -22.769 4.186 -21.980 1.00 26.59 N +ATOM 1503 CA ASP A 156 -23.508 3.317 -22.883 1.00 33.26 C +ATOM 1504 C ASP A 156 -24.168 4.280 -23.895 1.00 34.25 C +ATOM 1505 O ASP A 156 -25.250 4.822 -23.656 1.00 38.52 O +ATOM 1506 CB ASP A 156 -24.482 2.517 -22.091 1.00 32.11 C +ATOM 1507 CG ASP A 156 -25.190 1.496 -22.925 1.00 51.67 C +ATOM 1508 OD1 ASP A 156 -25.236 1.656 -24.164 1.00 44.74 O +ATOM 1509 OD2 ASP A 156 -25.708 0.558 -22.318 1.00 50.25 O1- +ATOM 1510 N LYS A 157 -23.469 4.560 -24.995 1.00 34.74 N +ATOM 1511 CA LYS A 157 -23.944 5.623 -25.889 1.00 40.03 C +ATOM 1512 C LYS A 157 -25.263 5.247 -26.538 1.00 33.24 C +ATOM 1513 O LYS A 157 -26.095 6.115 -26.801 1.00 52.56 O +ATOM 1514 CB LYS A 157 -22.895 5.951 -26.969 1.00 41.50 C +ATOM 1515 CG LYS A 157 -21.458 6.225 -26.485 1.00 48.93 C +ATOM 1516 CD LYS A 157 -21.331 7.491 -25.619 1.00 57.51 C +ATOM 1517 CE LYS A 157 -19.933 8.136 -25.735 1.00 71.05 C +ATOM 1518 NZ LYS A 157 -19.891 9.311 -26.693 1.00 67.49 N +ATOM 1519 N GLN A 158 -25.489 3.958 -26.760 1.00 42.99 N +ATOM 1520 CA GLN A 158 -26.736 3.506 -27.370 1.00 52.05 C +ATOM 1521 C GLN A 158 -27.944 3.873 -26.520 1.00 56.14 C +ATOM 1522 O GLN A 158 -28.984 4.284 -27.044 1.00 52.93 O +ATOM 1523 CB GLN A 158 -26.679 1.991 -27.590 1.00 66.03 C +ATOM 1524 CG GLN A 158 -26.084 1.573 -28.924 1.00 77.56 C +ATOM 1525 CD GLN A 158 -26.902 2.096 -30.098 1.00101.95 C +ATOM 1526 OE1 GLN A 158 -26.490 3.031 -30.792 1.00 97.06 O +ATOM 1527 NE2 GLN A 158 -28.077 1.504 -30.314 1.00104.08 N +ATOM 1528 N LYS A 159 -27.835 3.722 -25.204 1.00 42.96 N +ATOM 1529 CA LYS A 159 -28.944 3.981 -24.298 1.00 39.53 C +ATOM 1530 C LYS A 159 -28.866 5.365 -23.686 1.00 39.16 C +ATOM 1531 O LYS A 159 -29.695 5.702 -22.825 1.00 36.21 O +ATOM 1532 CB LYS A 159 -29.001 2.887 -23.216 1.00 57.82 C +ATOM 1533 CG LYS A 159 -29.118 1.445 -23.798 1.00 61.75 C +ATOM 1534 CD LYS A 159 -29.164 0.321 -22.746 1.00 64.55 C +ATOM 1535 CE LYS A 159 -30.453 0.341 -21.906 1.00 77.07 C +ATOM 1536 NZ LYS A 159 -31.690 -0.088 -22.663 1.00 77.12 N +ATOM 1537 N ASN A 160 -27.898 6.195 -24.115 1.00 31.05 N +ATOM 1538 CA ASN A 160 -27.772 7.532 -23.558 1.00 33.60 C +ATOM 1539 C ASN A 160 -27.572 7.457 -22.033 1.00 28.54 C +ATOM 1540 O ASN A 160 -28.074 8.305 -21.269 1.00 32.14 O +ATOM 1541 CB ASN A 160 -29.006 8.353 -23.916 1.00 39.81 C +ATOM 1542 CG ASN A 160 -28.765 9.809 -23.886 1.00 53.02 C +ATOM 1543 OD1 ASN A 160 -27.673 10.291 -24.209 1.00 56.17 O +ATOM 1544 ND2 ASN A 160 -29.794 10.546 -23.519 1.00 61.60 N +ATOM 1545 N GLY A 161 -26.858 6.431 -21.600 1.00 32.23 N +ATOM 1546 CA GLY A 161 -26.710 6.237 -20.168 1.00 25.86 C +ATOM 1547 C GLY A 161 -25.363 5.691 -19.778 1.00 28.01 C +ATOM 1548 O GLY A 161 -24.389 5.844 -20.513 1.00 25.17 O +ATOM 1549 N ILE A 162 -25.287 5.027 -18.624 1.00 22.58 N +ATOM 1550 CA ILE A 162 -24.034 4.443 -18.159 1.00 19.12 C +ATOM 1551 C ILE A 162 -24.244 3.001 -17.730 1.00 19.48 C +ATOM 1552 O ILE A 162 -25.366 2.532 -17.516 1.00 18.78 O +ATOM 1553 CB ILE A 162 -23.390 5.260 -17.013 1.00 23.22 C +ATOM 1554 CG1 ILE A 162 -24.401 5.609 -15.943 1.00 24.31 C +ATOM 1555 CG2 ILE A 162 -22.787 6.571 -17.547 1.00 25.27 C +ATOM 1556 CD1 ILE A 162 -23.785 6.361 -14.769 1.00 31.53 C +ATOM 1557 N ALYS A 163 -23.224 2.365 -17.542 0.60 18.42 N +ATOM 1558 CA ALYS A 163 -23.237 0.968 -17.115 0.60 18.35 C +ATOM 1559 CA BLYS A 163 -23.108 1.036 -16.916 0.40 18.35 C +ATOM 1560 C ALYS A 163 -22.059 0.669 -16.203 0.60 23.00 C +ATOM 1561 O ALYS A 163 -21.015 1.295 -16.325 0.60 20.74 O +ATOM 1562 CB ALYS A 163 -23.231 0.061 -18.355 0.60 26.37 C +ATOM 1563 CB BLYS A 163 -23.321 0.131 -18.139 0.40 26.37 C +ATOM 1564 CG ALYS A 163 -22.965 -1.417 -18.106 0.60 39.37 C +ATOM 1565 CG BLYS A 163 -22.225 0.159 -19.196 0.40 39.37 C +ATOM 1566 CD ALYS A 163 -23.143 -2.298 -19.374 0.60 41.57 C +ATOM 1567 CD BLYS A 163 -22.495 -0.798 -20.390 0.40 41.57 C +ATOM 1568 CE ALYS A 163 -22.511 -3.714 -19.184 0.60 45.90 C +ATOM 1569 CE BLYS A 163 -21.359 -0.717 -21.460 0.40 45.90 C +ATOM 1570 NZ ALYS A 163 -23.079 -4.793 -20.063 0.60 27.30 N +ATOM 1571 NZ BLYS A 163 -21.527 -1.629 -22.643 0.40 27.30 N +ATOM 1572 N SER A 164 -22.228 -0.257 -15.265 1.00 22.26 N +ATOM 1573 CA SER A 164 -21.118 -0.653 -14.409 1.00 21.48 C +ATOM 1574 C SER A 164 -21.334 -2.085 -13.965 1.00 24.83 C +ATOM 1575 O SER A 164 -22.465 -2.550 -13.827 1.00 23.47 O +ATOM 1576 CB SER A 164 -20.997 0.316 -13.206 1.00 27.33 C +ATOM 1577 OG SER A 164 -19.872 -0.090 -12.429 1.00 35.38 O +ATOM 1578 N ASN A 165 -20.241 -2.818 -13.806 1.00 22.35 N +ATOM 1579 CA AASN A 165 -20.281 -4.131 -13.203 0.59 21.64 C +ATOM 1580 CA BASN A 165 -20.275 -4.142 -13.204 0.41 21.65 C +ATOM 1581 C ASN A 165 -19.174 -4.176 -12.158 1.00 25.59 C +ATOM 1582 O ASN A 165 -18.068 -3.692 -12.401 1.00 26.21 O +ATOM 1583 CB AASN A 165 -20.100 -5.195 -14.281 0.59 27.44 C +ATOM 1584 CB BASN A 165 -20.069 -5.271 -14.234 0.41 27.46 C +ATOM 1585 CG AASN A 165 -19.668 -6.489 -13.726 0.59 37.94 C +ATOM 1586 CG BASN A 165 -19.992 -4.764 -15.661 0.41 44.84 C +ATOM 1587 OD1AASN A 165 -18.608 -6.989 -14.085 0.59 36.77 O +ATOM 1588 OD1BASN A 165 -18.906 -4.509 -16.168 0.41 44.86 O +ATOM 1589 ND2AASN A 165 -20.481 -7.053 -12.802 0.59 31.27 N +ATOM 1590 ND2BASN A 165 -21.149 -4.614 -16.319 0.41 39.19 N +ATOM 1591 N PHE A 166 -19.488 -4.692 -10.980 1.00 19.66 N +ATOM 1592 CA PHE A 166 -18.505 -4.643 -9.905 1.00 22.76 C +ATOM 1593 C PHE A 166 -18.878 -5.646 -8.835 1.00 27.36 C +ATOM 1594 O PHE A 166 -20.013 -6.102 -8.763 1.00 25.57 O +ATOM 1595 CB PHE A 166 -18.437 -3.241 -9.314 1.00 19.79 C +ATOM 1596 CG PHE A 166 -19.813 -2.699 -8.752 1.00 19.69 C +ATOM 1597 CD1 PHE A 166 -20.672 -1.964 -9.558 1.00 23.04 C +ATOM 1598 CD2 PHE A 166 -20.140 -2.867 -7.398 1.00 23.84 C +ATOM 1599 CE1 PHE A 166 -21.828 -1.410 -9.042 1.00 21.55 C +ATOM 1600 CE2 PHE A 166 -21.287 -2.278 -6.859 1.00 23.73 C +ATOM 1601 CZ PHE A 166 -22.172 -1.590 -7.713 1.00 19.67 C +ATOM 1602 N LYS A 167 -17.920 -5.962 -7.983 1.00 20.82 N +ATOM 1603 CA LYS A 167 -18.114 -6.940 -6.908 1.00 23.52 C +ATOM 1604 C LYS A 167 -17.991 -6.270 -5.550 1.00 24.38 C +ATOM 1605 O LYS A 167 -16.994 -5.589 -5.283 1.00 27.60 O +ATOM 1606 CB LYS A 167 -17.025 -8.060 -6.991 1.00 27.43 C +ATOM 1607 CG LYS A 167 -17.110 -8.908 -8.242 1.00 37.94 C +ATOM 1608 CD LYS A 167 -15.724 -9.542 -8.506 1.00 45.10 C +ATOM 1609 CE LYS A 167 -15.804 -11.054 -8.691 1.00 62.46 C +ATOM 1610 NZ LYS A 167 -16.831 -11.444 -9.690 1.00 59.43 N +ATOM 1611 N ILE A 168 -18.948 -6.518 -4.670 1.00 23.18 N +ATOM 1612 CA ILE A 168 -18.903 -6.134 -3.273 1.00 21.57 C +ATOM 1613 C ILE A 168 -18.535 -7.378 -2.479 1.00 23.00 C +ATOM 1614 O ILE A 168 -19.093 -8.453 -2.727 1.00 20.97 O +ATOM 1615 CB ILE A 168 -20.289 -5.612 -2.814 1.00 19.95 C +ATOM 1616 CG1 ILE A 168 -20.688 -4.369 -3.628 1.00 26.18 C +ATOM 1617 CG2 ILE A 168 -20.302 -5.393 -1.267 1.00 23.52 C +ATOM 1618 CD1 ILE A 168 -19.835 -3.149 -3.496 1.00 29.84 C +ATOM 1619 N ARG A 169 -17.603 -7.244 -1.517 1.00 21.65 N +ATOM 1620 CA AARG A 169 -17.308 -8.323 -0.584 0.45 22.21 C +ATOM 1621 CA BARG A 169 -17.302 -8.331 -0.581 0.55 22.15 C +ATOM 1622 C ARG A 169 -17.917 -8.011 0.787 1.00 25.02 C +ATOM 1623 O ARG A 169 -17.559 -7.017 1.420 1.00 28.21 O +ATOM 1624 CB AARG A 169 -15.798 -8.511 -0.498 0.45 27.43 C +ATOM 1625 CB BARG A 169 -15.789 -8.562 -0.453 0.55 27.37 C +ATOM 1626 CG AARG A 169 -15.180 -8.476 -1.914 0.45 34.55 C +ATOM 1627 CG BARG A 169 -15.155 -9.392 -1.632 0.55 35.91 C +ATOM 1628 CD AARG A 169 -14.269 -7.285 -2.097 0.45 43.92 C +ATOM 1629 CD BARG A 169 -13.626 -9.078 -1.854 0.55 38.19 C +ATOM 1630 NE AARG A 169 -14.603 -6.454 -3.258 0.45 39.01 N +ATOM 1631 NE BARG A 169 -13.381 -8.540 -3.198 0.55 50.50 N +ATOM 1632 CZ AARG A 169 -14.147 -6.681 -4.484 0.45 35.68 C +ATOM 1633 CZ BARG A 169 -13.348 -9.286 -4.300 0.55 46.08 C +ATOM 1634 NH1AARG A 169 -13.369 -7.724 -4.727 0.45 42.79 N +ATOM 1635 NH1BARG A 169 -13.526 -10.592 -4.201 0.55 45.74 N +ATOM 1636 NH2AARG A 169 -14.474 -5.869 -5.464 0.45 33.46 N +ATOM 1637 NH2BARG A 169 -13.134 -8.739 -5.495 0.55 44.68 N +ATOM 1638 N HIS A 170 -18.817 -8.860 1.255 1.00 20.79 N +ATOM 1639 CA HIS A 170 -19.396 -8.720 2.579 1.00 21.68 C +ATOM 1640 C HIS A 170 -18.676 -9.633 3.555 1.00 23.32 C +ATOM 1641 O HIS A 170 -18.628 -10.840 3.336 1.00 26.16 O +ATOM 1642 CB HIS A 170 -20.881 -9.113 2.580 1.00 19.94 C +ATOM 1643 CG HIS A 170 -21.740 -8.196 1.749 1.00 19.21 C +ATOM 1644 ND1 HIS A 170 -21.973 -6.871 2.088 1.00 23.85 N +ATOM 1645 CD2 HIS A 170 -22.505 -8.451 0.651 1.00 22.95 C +ATOM 1646 CE1 HIS A 170 -22.807 -6.341 1.199 1.00 23.66 C +ATOM 1647 NE2 HIS A 170 -23.160 -7.278 0.336 1.00 22.26 N +ATOM 1648 N ASN A 171 -18.196 -9.082 4.668 1.00 23.63 N +ATOM 1649 CA ASN A 171 -17.565 -9.937 5.682 1.00 22.67 C +ATOM 1650 C ASN A 171 -18.593 -10.795 6.371 1.00 27.34 C +ATOM 1651 O ASN A 171 -19.640 -10.304 6.770 1.00 26.54 O +ATOM 1652 CB ASN A 171 -16.888 -9.082 6.730 1.00 22.84 C +ATOM 1653 CG ASN A 171 -15.601 -8.440 6.223 1.00 40.62 C +ATOM 1654 OD1 ASN A 171 -15.242 -8.521 5.038 1.00 34.66 O +ATOM 1655 ND2 ASN A 171 -14.888 -7.812 7.134 1.00 48.27 N +ATOM 1656 N ILE A 172 -18.291 -12.099 6.544 1.00 25.31 N +ATOM 1657 CA ILE A 172 -19.126 -13.015 7.324 1.00 24.03 C +ATOM 1658 C ILE A 172 -18.545 -13.105 8.720 1.00 26.58 C +ATOM 1659 O ILE A 172 -17.346 -12.930 8.905 1.00 28.16 O +ATOM 1660 CB ILE A 172 -19.128 -14.382 6.632 1.00 26.81 C +ATOM 1661 CG1 ILE A 172 -19.473 -14.170 5.162 1.00 30.09 C +ATOM 1662 CG2 ILE A 172 -20.101 -15.374 7.296 1.00 24.77 C +ATOM 1663 CD1 ILE A 172 -19.433 -15.553 4.385 1.00 27.81 C +ATOM 1664 N GLU A 173 -19.392 -13.416 9.695 1.00 30.37 N +ATOM 1665 CA AGLU A 173 -18.997 -13.416 11.102 0.51 35.40 C +ATOM 1666 CA BGLU A 173 -18.930 -13.341 11.074 0.49 35.29 C +ATOM 1667 C GLU A 173 -17.816 -14.338 11.358 1.00 36.43 C +ATOM 1668 O GLU A 173 -17.058 -14.131 12.308 1.00 33.96 O +ATOM 1669 CB AGLU A 173 -20.190 -13.859 11.960 0.51 33.02 C +ATOM 1670 CB BGLU A 173 -20.104 -13.558 12.034 0.49 35.16 C +ATOM 1671 CG AGLU A 173 -20.770 -15.215 11.543 0.51 36.23 C +ATOM 1672 CG BGLU A 173 -21.189 -12.492 11.896 0.49 40.18 C +ATOM 1673 CD AGLU A 173 -22.028 -15.615 12.315 0.51 48.85 C +ATOM 1674 CD BGLU A 173 -22.346 -12.679 12.872 0.49 43.60 C +ATOM 1675 OE1AGLU A 173 -22.522 -14.805 13.128 0.51 43.05 O +ATOM 1676 OE1BGLU A 173 -22.120 -13.276 13.947 0.49 45.72 O +ATOM 1677 OE2AGLU A 173 -22.525 -16.746 12.100 0.51 41.99 O +ATOM 1678 OE2BGLU A 173 -23.473 -12.219 12.561 0.49 44.92 O +ATOM 1679 N ASP A 174 -17.667 -15.368 10.539 1.00 32.00 N +ATOM 1680 CA ASP A 174 -16.590 -16.344 10.770 1.00 36.88 C +ATOM 1681 C ASP A 174 -15.265 -15.973 10.113 1.00 42.59 C +ATOM 1682 O ASP A 174 -14.339 -16.793 10.107 1.00 37.75 O +ATOM 1683 CB ASP A 174 -17.031 -17.738 10.307 1.00 41.94 C +ATOM 1684 CG ASP A 174 -17.175 -17.841 8.809 1.00 40.76 C +ATOM 1685 OD1 ASP A 174 -16.946 -16.828 8.095 1.00 33.60 O +ATOM 1686 OD2 ASP A 174 -17.515 -18.943 8.337 1.00 43.05 O +ATOM 1687 N GLY A 175 -15.136 -14.762 9.585 1.00 31.20 N +ATOM 1688 CA GLY A 175 -13.911 -14.328 8.928 1.00 33.21 C +ATOM 1689 C GLY A 175 -13.889 -14.535 7.429 1.00 28.73 C +ATOM 1690 O GLY A 175 -13.009 -13.971 6.736 1.00 34.10 O +ATOM 1691 N SER A 176 -14.808 -15.311 6.899 1.00 26.71 N +ATOM 1692 CA SER A 176 -14.912 -15.465 5.449 1.00 28.17 C +ATOM 1693 C SER A 176 -15.659 -14.300 4.774 1.00 24.35 C +ATOM 1694 O SER A 176 -15.892 -13.245 5.372 1.00 27.48 O +ATOM 1695 CB SER A 176 -15.626 -16.746 5.125 1.00 27.67 C +ATOM 1696 OG SER A 176 -15.360 -17.069 3.744 1.00 34.99 O +ATOM 1697 N VAL A 177 -15.928 -14.437 3.471 1.00 24.40 N +ATOM 1698 CA VAL A 177 -16.507 -13.350 2.673 1.00 25.61 C +ATOM 1699 C VAL A 177 -17.650 -13.892 1.841 1.00 28.96 C +ATOM 1700 O VAL A 177 -17.599 -14.994 1.283 1.00 27.15 O +ATOM 1701 CB VAL A 177 -15.514 -12.608 1.735 1.00 36.77 C +ATOM 1702 CG1 VAL A 177 -14.423 -11.930 2.530 1.00 39.39 C +ATOM 1703 CG2 VAL A 177 -14.899 -13.500 0.774 1.00 47.40 C +ATOM 1704 N GLN A 178 -18.667 -13.058 1.705 1.00 21.72 N +ATOM 1705 CA GLN A 178 -19.803 -13.302 0.815 1.00 20.93 C +ATOM 1706 C GLN A 178 -19.706 -12.322 -0.346 1.00 21.77 C +ATOM 1707 O GLN A 178 -19.818 -11.114 -0.148 1.00 23.99 O +ATOM 1708 CB GLN A 178 -21.124 -13.094 1.582 1.00 20.07 C +ATOM 1709 CG GLN A 178 -22.380 -13.046 0.628 1.00 22.36 C +ATOM 1710 CD GLN A 178 -22.698 -14.419 0.086 1.00 23.70 C +ATOM 1711 OE1 GLN A 178 -22.955 -15.331 0.852 1.00 26.96 O +ATOM 1712 NE2 GLN A 178 -22.603 -14.582 -1.223 1.00 23.90 N +ATOM 1713 N LEU A 179 -19.557 -12.830 -1.561 1.00 20.12 N +ATOM 1714 CA ALEU A 179 -19.426 -11.947 -2.705 0.41 18.57 C +ATOM 1715 CA BLEU A 179 -19.424 -11.991 -2.743 0.59 18.59 C +ATOM 1716 C LEU A 179 -20.796 -11.569 -3.234 1.00 22.03 C +ATOM 1717 O LEU A 179 -21.723 -12.391 -3.246 1.00 22.35 O +ATOM 1718 CB ALEU A 179 -18.612 -12.601 -3.825 0.41 24.56 C +ATOM 1719 CB BLEU A 179 -18.743 -12.772 -3.880 0.59 24.10 C +ATOM 1720 CG ALEU A 179 -17.116 -12.565 -3.530 0.41 23.81 C +ATOM 1721 CG BLEU A 179 -17.720 -12.207 -4.860 0.59 42.49 C +ATOM 1722 CD1ALEU A 179 -16.415 -13.487 -4.478 0.41 26.81 C +ATOM 1723 CD1BLEU A 179 -17.337 -13.271 -5.919 0.59 32.28 C +ATOM 1724 CD2ALEU A 179 -16.698 -11.130 -3.792 0.41 24.72 C +ATOM 1725 CD2BLEU A 179 -18.230 -11.007 -5.514 0.59 33.00 C +ATOM 1726 N ALA A 180 -20.913 -10.326 -3.697 1.00 19.36 N +ATOM 1727 CA ALA A 180 -22.177 -9.871 -4.287 1.00 20.70 C +ATOM 1728 C ALA A 180 -21.824 -9.191 -5.618 1.00 18.12 C +ATOM 1729 O ALA A 180 -21.296 -8.081 -5.639 1.00 21.23 O +ATOM 1730 CB ALA A 180 -22.900 -8.914 -3.310 1.00 18.38 C +ATOM 1731 N ASP A 181 -22.077 -9.877 -6.752 1.00 21.35 N +ATOM 1732 CA AASP A 181 -21.728 -9.329 -8.062 0.36 23.30 C +ATOM 1733 CA BASP A 181 -21.750 -9.365 -8.087 0.64 23.37 C +ATOM 1734 C ASP A 181 -22.855 -8.419 -8.531 1.00 20.17 C +ATOM 1735 O ASP A 181 -24.004 -8.856 -8.645 1.00 21.40 O +ATOM 1736 CB AASP A 181 -21.517 -10.450 -9.076 0.36 21.84 C +ATOM 1737 CB BASP A 181 -21.704 -10.495 -9.119 0.64 21.58 C +ATOM 1738 CG AASP A 181 -20.525 -10.091 -10.200 0.36 27.84 C +ATOM 1739 CG BASP A 181 -20.364 -11.235 -9.176 0.64 30.22 C +ATOM 1740 OD1AASP A 181 -19.875 -9.013 -10.212 0.36 29.36 O1- +ATOM 1741 OD1BASP A 181 -19.409 -10.685 -9.776 0.64 26.93 O1- +ATOM 1742 OD2AASP A 181 -20.374 -10.941 -11.089 0.36 32.00 O +ATOM 1743 OD2BASP A 181 -20.302 -12.386 -8.699 0.64 29.37 O +ATOM 1744 N HIS A 182 -22.521 -7.165 -8.808 1.00 18.41 N +ATOM 1745 CA HIS A 182 -23.491 -6.161 -9.208 1.00 17.22 C +ATOM 1746 C HIS A 182 -23.391 -5.878 -10.702 1.00 20.22 C +ATOM 1747 O HIS A 182 -22.291 -5.682 -11.224 1.00 22.24 O +ATOM 1748 CB HIS A 182 -23.237 -4.838 -8.473 1.00 17.41 C +ATOM 1749 CG HIS A 182 -23.594 -4.806 -7.010 1.00 18.67 C +ATOM 1750 ND1 HIS A 182 -23.067 -5.654 -6.057 1.00 18.48 N +ATOM 1751 CD2 HIS A 182 -24.424 -3.964 -6.347 1.00 20.56 C +ATOM 1752 CE1 HIS A 182 -23.565 -5.332 -4.865 1.00 22.69 C +ATOM 1753 NE2 HIS A 182 -24.408 -4.322 -5.016 1.00 20.15 N +ATOM 1754 N TYR A 183 -24.538 -5.824 -11.381 1.00 19.67 N +ATOM 1755 CA TYR A 183 -24.632 -5.252 -12.720 1.00 19.13 C +ATOM 1756 C TYR A 183 -25.565 -4.066 -12.653 1.00 21.59 C +ATOM 1757 O TYR A 183 -26.631 -4.171 -12.058 1.00 24.00 O +ATOM 1758 CB TYR A 183 -25.230 -6.285 -13.702 1.00 20.46 C +ATOM 1759 CG TYR A 183 -24.274 -7.415 -13.861 1.00 22.79 C +ATOM 1760 CD1 TYR A 183 -24.227 -8.449 -12.915 1.00 36.15 C +ATOM 1761 CD2 TYR A 183 -23.326 -7.409 -14.908 1.00 29.64 C +ATOM 1762 CE1 TYR A 183 -23.296 -9.456 -13.012 1.00 42.20 C +ATOM 1763 CE2 TYR A 183 -22.418 -8.427 -15.033 1.00 39.48 C +ATOM 1764 CZ TYR A 183 -22.386 -9.444 -14.076 1.00 45.26 C +ATOM 1765 OH TYR A 183 -21.448 -10.471 -14.188 1.00 56.34 O +ATOM 1766 N GLN A 184 -25.189 -2.951 -13.265 1.00 18.59 N +ATOM 1767 CA GLN A 184 -25.934 -1.724 -13.064 1.00 18.48 C +ATOM 1768 C GLN A 184 -26.083 -1.031 -14.392 1.00 20.58 C +ATOM 1769 O GLN A 184 -25.159 -1.044 -15.202 1.00 21.87 O +ATOM 1770 CB GLN A 184 -25.119 -0.823 -12.086 1.00 17.71 C +ATOM 1771 CG GLN A 184 -25.738 0.525 -11.902 1.00 17.49 C +ATOM 1772 CD GLN A 184 -24.963 1.363 -10.912 1.00 20.88 C +ATOM 1773 OE1 GLN A 184 -24.393 0.840 -9.969 1.00 20.58 O +ATOM 1774 NE2 GLN A 184 -24.967 2.678 -11.127 1.00 22.94 N +ATOM 1775 N GLN A 185 -27.253 -0.447 -14.635 1.00 19.33 N +ATOM 1776 CA GLN A 185 -27.391 0.433 -15.776 1.00 21.94 C +ATOM 1777 C GLN A 185 -28.198 1.645 -15.294 1.00 21.45 C +ATOM 1778 O GLN A 185 -29.059 1.538 -14.391 1.00 21.03 O +ATOM 1779 CB GLN A 185 -28.088 -0.279 -16.982 1.00 23.64 C +ATOM 1780 CG GLN A 185 -29.454 -0.823 -16.644 1.00 25.55 C +ATOM 1781 CD GLN A 185 -30.012 -1.799 -17.733 1.00 32.42 C +ATOM 1782 OE1 GLN A 185 -29.280 -2.246 -18.623 1.00 37.09 O +ATOM 1783 NE2 GLN A 185 -31.328 -2.067 -17.676 1.00 29.24 N +ATOM 1784 N ASN A 186 -27.866 2.820 -15.839 1.00 21.14 N +ATOM 1785 CA ASN A 186 -28.598 4.036 -15.517 1.00 17.90 C +ATOM 1786 C ASN A 186 -29.024 4.699 -16.812 1.00 21.70 C +ATOM 1787 O ASN A 186 -28.229 4.786 -17.744 1.00 21.78 O +ATOM 1788 CB ASN A 186 -27.793 5.061 -14.728 1.00 20.31 C +ATOM 1789 CG ASN A 186 -27.371 4.553 -13.332 1.00 23.62 C +ATOM 1790 OD1 ASN A 186 -26.667 3.589 -13.221 1.00 27.26 O +ATOM 1791 ND2 ASN A 186 -27.769 5.254 -12.291 1.00 21.82 N +ATOM 1792 N THR A 187 -30.266 5.164 -16.849 1.00 19.35 N +ATOM 1793 CA THR A 187 -30.739 5.897 -18.023 1.00 20.06 C +ATOM 1794 C THR A 187 -31.511 7.115 -17.571 1.00 21.79 C +ATOM 1795 O THR A 187 -32.166 7.089 -16.527 1.00 22.77 O +ATOM 1796 CB THR A 187 -31.624 4.985 -18.903 1.00 24.90 C +ATOM 1797 OG1 THR A 187 -32.562 4.394 -18.058 1.00 30.93 O +ATOM 1798 CG2 THR A 187 -30.791 3.874 -19.497 1.00 34.60 C +ATOM 1799 N PRO A 188 -31.481 8.192 -18.351 1.00 21.60 N +ATOM 1800 CA PRO A 188 -32.210 9.398 -17.971 1.00 20.43 C +ATOM 1801 C PRO A 188 -33.701 9.220 -18.068 1.00 22.87 C +ATOM 1802 O PRO A 188 -34.183 8.531 -18.969 1.00 25.98 O +ATOM 1803 CB PRO A 188 -31.762 10.444 -19.006 1.00 27.45 C +ATOM 1804 CG PRO A 188 -30.747 9.741 -19.900 1.00 32.80 C +ATOM 1805 CD PRO A 188 -30.843 8.268 -19.698 1.00 27.09 C +ATOM 1806 N ILE A 189 -34.423 9.927 -17.184 1.00 19.33 N +ATOM 1807 CA ILE A 189 -35.879 9.992 -17.269 1.00 19.13 C +ATOM 1808 C ILE A 189 -36.306 11.029 -18.296 1.00 32.17 C +ATOM 1809 O ILE A 189 -37.279 10.837 -19.024 1.00 31.61 O +ATOM 1810 CB ILE A 189 -36.487 10.294 -15.892 1.00 22.23 C +ATOM 1811 CG1 ILE A 189 -36.277 9.076 -14.993 1.00 22.57 C +ATOM 1812 CG2 ILE A 189 -38.004 10.606 -16.098 1.00 28.31 C +ATOM 1813 CD1 ILE A 189 -36.689 9.298 -13.578 1.00 25.62 C +ATOM 1814 N GLY A 190 -35.616 12.141 -18.352 1.00 26.00 N +ATOM 1815 CA GLY A 190 -35.996 13.201 -19.272 1.00 36.43 C +ATOM 1816 C GLY A 190 -35.491 12.929 -20.678 1.00 28.43 C +ATOM 1817 O GLY A 190 -34.780 11.968 -20.966 1.00 34.66 O +ATOM 1818 N ASP A 191 -35.880 13.804 -21.607 1.00 37.29 N +ATOM 1819 CA ASP A 191 -35.384 13.639 -22.967 1.00 35.71 C +ATOM 1820 C ASP A 191 -34.345 14.686 -23.348 1.00 44.90 C +ATOM 1821 O ASP A 191 -33.835 14.643 -24.463 1.00 48.72 O +ATOM 1822 CB ASP A 191 -36.541 13.642 -23.983 1.00 51.61 C +ATOM 1823 CG ASP A 191 -37.561 14.680 -23.681 1.00 63.37 C +ATOM 1824 OD1 ASP A 191 -37.181 15.868 -23.622 1.00 67.72 O +ATOM 1825 OD2 ASP A 191 -38.748 14.308 -23.509 1.00 88.97 O1- +ATOM 1826 N GLY A 192 -34.013 15.615 -22.454 1.00 37.97 N +ATOM 1827 CA GLY A 192 -32.912 16.523 -22.693 1.00 37.52 C +ATOM 1828 C GLY A 192 -31.552 15.839 -22.817 1.00 32.35 C +ATOM 1829 O GLY A 192 -31.365 14.636 -22.578 1.00 32.36 O +ATOM 1830 N PRO A 193 -30.554 16.618 -23.178 1.00 30.55 N +ATOM 1831 CA PRO A 193 -29.202 16.049 -23.281 1.00 26.22 C +ATOM 1832 C PRO A 193 -28.645 15.777 -21.894 1.00 23.81 C +ATOM 1833 O PRO A 193 -29.019 16.432 -20.911 1.00 27.77 O +ATOM 1834 CB PRO A 193 -28.374 17.136 -23.984 1.00 28.96 C +ATOM 1835 CG PRO A 193 -29.410 18.266 -24.306 1.00 33.48 C +ATOM 1836 CD PRO A 193 -30.634 18.056 -23.450 1.00 30.64 C +ATOM 1837 N VAL A 194 -27.704 14.829 -21.858 1.00 23.47 N +ATOM 1838 CA VAL A 194 -26.980 14.486 -20.652 1.00 24.86 C +ATOM 1839 C VAL A 194 -25.519 14.440 -20.982 1.00 23.50 C +ATOM 1840 O VAL A 194 -25.115 14.374 -22.155 1.00 28.17 O +ATOM 1841 CB VAL A 194 -27.427 13.133 -20.049 1.00 31.44 C +ATOM 1842 CG1 VAL A 194 -28.880 13.252 -19.603 1.00 27.22 C +ATOM 1843 CG2 VAL A 194 -27.281 12.036 -21.060 1.00 32.13 C +ATOM 1844 N LEU A 195 -24.699 14.428 -19.924 1.00 22.33 N +ATOM 1845 CA LEU A 195 -23.262 14.271 -20.114 1.00 24.53 C +ATOM 1846 C LEU A 195 -22.936 12.791 -20.118 1.00 29.68 C +ATOM 1847 O LEU A 195 -23.178 12.113 -19.123 1.00 32.93 O +ATOM 1848 CB LEU A 195 -22.450 14.954 -18.999 1.00 24.48 C +ATOM 1849 CG LEU A 195 -22.643 16.449 -18.904 1.00 27.53 C +ATOM 1850 CD1 LEU A 195 -22.035 17.033 -17.596 1.00 29.08 C +ATOM 1851 CD2 LEU A 195 -22.050 17.111 -20.156 1.00 32.10 C +ATOM 1852 N LEU A 196 -22.367 12.293 -21.215 1.00 25.01 N +ATOM 1853 CA LEU A 196 -21.945 10.924 -21.269 1.00 24.25 C +ATOM 1854 C LEU A 196 -20.457 10.860 -20.984 1.00 25.56 C +ATOM 1855 O LEU A 196 -19.673 11.491 -21.709 1.00 28.33 O +ATOM 1856 CB LEU A 196 -22.238 10.307 -22.629 1.00 30.25 C +ATOM 1857 CG LEU A 196 -23.724 10.144 -22.926 1.00 43.65 C +ATOM 1858 CD1 LEU A 196 -23.966 9.461 -24.245 1.00 55.29 C +ATOM 1859 CD2 LEU A 196 -24.359 9.358 -21.784 1.00 41.49 C +ATOM 1860 N PRO A 197 -20.037 10.104 -19.974 1.00 24.26 N +ATOM 1861 CA PRO A 197 -18.686 10.266 -19.448 1.00 22.98 C +ATOM 1862 C PRO A 197 -17.702 9.418 -20.229 1.00 25.36 C +ATOM 1863 O PRO A 197 -18.061 8.408 -20.823 1.00 27.17 O +ATOM 1864 CB PRO A 197 -18.803 9.779 -17.987 1.00 24.41 C +ATOM 1865 CG PRO A 197 -19.947 8.697 -18.057 1.00 27.31 C +ATOM 1866 CD PRO A 197 -20.938 9.348 -19.043 1.00 24.50 C +ATOM 1867 N ASP A 198 -16.454 9.860 -20.236 1.00 22.80 N +ATOM 1868 CA ASP A 198 -15.358 8.922 -20.494 1.00 26.15 C +ATOM 1869 C ASP A 198 -15.247 7.934 -19.334 1.00 27.48 C +ATOM 1870 O ASP A 198 -15.696 8.207 -18.213 1.00 29.53 O +ATOM 1871 CB ASP A 198 -13.997 9.635 -20.610 1.00 27.29 C +ATOM 1872 CG ASP A 198 -13.865 10.463 -21.875 1.00 37.09 C +ATOM 1873 OD1 ASP A 198 -14.727 10.317 -22.736 1.00 36.01 O +ATOM 1874 OD2 ASP A 198 -12.909 11.243 -21.982 1.00 40.30 O1- +ATOM 1875 N ASN A 199 -14.597 6.804 -19.599 1.00 27.81 N +ATOM 1876 CA ASN A 199 -14.390 5.813 -18.556 1.00 26.83 C +ATOM 1877 C ASN A 199 -13.679 6.423 -17.351 1.00 26.11 C +ATOM 1878 O ASN A 199 -12.648 7.083 -17.481 1.00 27.94 O +ATOM 1879 CB ASN A 199 -13.579 4.624 -19.097 1.00 31.08 C +ATOM 1880 CG ASN A 199 -14.415 3.731 -20.018 1.00 43.32 C +ATOM 1881 OD1 ASN A 199 -15.556 4.040 -20.355 1.00 58.34 O +ATOM 1882 ND2 ASN A 199 -13.829 2.613 -20.423 1.00 56.89 N +ATOM 1883 N HIS A 200 -14.190 6.140 -16.148 1.00 24.09 N +ATOM 1884 CA HIS A 200 -13.536 6.638 -14.933 1.00 20.65 C +ATOM 1885 C HIS A 200 -14.004 5.788 -13.745 1.00 21.34 C +ATOM 1886 O HIS A 200 -14.820 4.881 -13.917 1.00 24.39 O +ATOM 1887 CB HIS A 200 -13.830 8.105 -14.702 1.00 23.77 C +ATOM 1888 CG HIS A 200 -15.282 8.390 -14.438 1.00 20.35 C +ATOM 1889 ND1 HIS A 200 -16.214 8.427 -15.446 1.00 21.93 N +ATOM 1890 CD2 HIS A 200 -15.943 8.682 -13.290 1.00 20.52 C +ATOM 1891 CE1 HIS A 200 -17.402 8.744 -14.927 1.00 26.90 C +ATOM 1892 NE2 HIS A 200 -17.262 8.874 -13.619 1.00 23.90 N +ATOM 1893 N TYR A 201 -13.482 6.058 -12.542 1.00 20.45 N +ATOM 1894 CA ATYR A 201 -13.981 5.294 -11.406 0.72 21.61 C +ATOM 1895 CA BTYR A 201 -13.821 5.310 -11.330 0.28 21.82 C +ATOM 1896 C TYR A 201 -14.456 6.195 -10.267 1.00 21.54 C +ATOM 1897 O TYR A 201 -14.163 7.391 -10.186 1.00 22.27 O +ATOM 1898 CB ATYR A 201 -12.960 4.266 -10.894 0.72 28.79 C +ATOM 1899 CB BTYR A 201 -12.609 4.697 -10.657 0.28 21.22 C +ATOM 1900 CG ATYR A 201 -11.702 4.772 -10.236 0.72 28.71 C +ATOM 1901 CG BTYR A 201 -11.772 3.804 -11.514 0.28 29.47 C +ATOM 1902 CD1ATYR A 201 -10.543 4.996 -10.996 0.72 31.59 C +ATOM 1903 CD1BTYR A 201 -10.786 4.337 -12.305 0.28 17.61 C +ATOM 1904 CD2ATYR A 201 -11.644 4.981 -8.858 0.72 28.88 C +ATOM 1905 CD2BTYR A 201 -11.939 2.428 -11.500 0.28 28.44 C +ATOM 1906 CE1ATYR A 201 -9.368 5.436 -10.403 0.72 32.66 C +ATOM 1907 CE1BTYR A 201 -9.996 3.546 -13.099 0.28 34.78 C +ATOM 1908 CE2ATYR A 201 -10.445 5.432 -8.243 0.72 28.90 C +ATOM 1909 CE2BTYR A 201 -11.143 1.618 -12.291 0.28 22.74 C +ATOM 1910 CZ ATYR A 201 -9.328 5.657 -9.038 0.72 34.22 C +ATOM 1911 CZ BTYR A 201 -10.171 2.185 -13.092 0.28 30.67 C +ATOM 1912 OH ATYR A 201 -8.171 6.117 -8.459 0.72 37.63 O +ATOM 1913 OH BTYR A 201 -9.362 1.400 -13.893 0.28 33.80 O +ATOM 1914 N LEU A 202 -15.286 5.589 -9.413 1.00 18.84 N +ATOM 1915 CA LEU A 202 -15.712 6.215 -8.170 1.00 19.79 C +ATOM 1916 C LEU A 202 -15.086 5.437 -7.034 1.00 21.23 C +ATOM 1917 O LEU A 202 -15.061 4.197 -7.071 1.00 24.33 O +ATOM 1918 CB LEU A 202 -17.254 6.220 -8.015 1.00 18.80 C +ATOM 1919 CG LEU A 202 -17.977 6.818 -9.210 1.00 20.72 C +ATOM 1920 CD1 LEU A 202 -19.554 6.597 -8.949 1.00 26.57 C +ATOM 1921 CD2 LEU A 202 -17.743 8.325 -9.330 1.00 26.62 C +ATOM 1922 N SER A 203 -14.520 6.165 -6.066 1.00 17.50 N +ATOM 1923 CA ASER A 203 -13.956 5.617 -4.845 0.68 20.16 C +ATOM 1924 CA BSER A 203 -13.969 5.595 -4.852 0.32 20.11 C +ATOM 1925 C SER A 203 -14.982 5.794 -3.733 1.00 21.54 C +ATOM 1926 O SER A 203 -15.368 6.920 -3.453 1.00 22.68 O +ATOM 1927 CB ASER A 203 -12.674 6.361 -4.458 0.68 20.83 C +ATOM 1928 CB BSER A 203 -12.645 6.275 -4.511 0.32 21.02 C +ATOM 1929 OG ASER A 203 -12.113 5.757 -3.295 0.68 29.81 O +ATOM 1930 OG BSER A 203 -11.701 6.000 -5.530 0.32 24.33 O +ATOM 1931 N THR A 204 -15.363 4.713 -3.074 1.00 20.11 N +ATOM 1932 CA THR A 204 -16.371 4.842 -2.020 1.00 18.77 C +ATOM 1933 C THR A 204 -15.861 4.339 -0.696 1.00 24.24 C +ATOM 1934 O THR A 204 -15.009 3.433 -0.628 1.00 24.80 O +ATOM 1935 CB THR A 204 -17.622 4.049 -2.338 1.00 23.59 C +ATOM 1936 OG1 THR A 204 -17.322 2.627 -2.334 1.00 25.90 O +ATOM 1937 CG2 THR A 204 -18.030 4.357 -3.676 1.00 25.87 C +ATOM 1938 N GLN A 205 -16.397 4.938 0.368 1.00 22.20 N +ATOM 1939 CA GLN A 205 -16.148 4.440 1.701 1.00 19.83 C +ATOM 1940 C GLN A 205 -17.425 4.642 2.501 1.00 25.44 C +ATOM 1941 O GLN A 205 -18.102 5.662 2.373 1.00 25.51 O +ATOM 1942 CB GLN A 205 -14.942 5.127 2.349 1.00 28.18 C +ATOM 1943 CG GLN A 205 -15.176 6.335 3.089 1.00 47.75 C +ATOM 1944 CD GLN A 205 -13.946 6.726 3.925 1.00 74.29 C +ATOM 1945 OE1 GLN A 205 -12.911 7.102 3.374 1.00 65.84 O +ATOM 1946 NE2 GLN A 205 -14.061 6.623 5.254 1.00 61.63 N +ATOM 1947 N SER A 206 -17.778 3.639 3.276 1.00 19.55 N +ATOM 1948 CA SER A 206 -19.055 3.658 4.001 1.00 20.62 C +ATOM 1949 C SER A 206 -18.809 3.240 5.433 1.00 24.87 C +ATOM 1950 O SER A 206 -18.073 2.286 5.695 1.00 28.48 O +ATOM 1951 CB SER A 206 -20.051 2.699 3.399 1.00 24.85 C +ATOM 1952 OG SER A 206 -20.234 2.915 2.001 1.00 31.61 O +ATOM 1953 N LYS A 207 -19.474 3.894 6.376 1.00 23.01 N +ATOM 1954 CA LYS A 207 -19.361 3.526 7.776 1.00 20.28 C +ATOM 1955 C LYS A 207 -20.774 3.336 8.308 1.00 21.47 C +ATOM 1956 O LYS A 207 -21.609 4.222 8.137 1.00 22.91 O +ATOM 1957 CB LYS A 207 -18.694 4.599 8.610 1.00 25.85 C +ATOM 1958 CG LYS A 207 -18.726 4.319 10.130 1.00 37.75 C +ATOM 1959 CD LYS A 207 -18.399 5.578 10.987 1.00 53.15 C +ATOM 1960 CE LYS A 207 -19.624 6.514 11.150 1.00 55.50 C +ATOM 1961 NZ LYS A 207 -19.389 7.731 11.991 1.00 67.32 N +ATOM 1962 N LEU A 208 -21.019 2.192 8.912 1.00 19.14 N +ATOM 1963 CA LEU A 208 -22.319 1.827 9.471 1.00 17.55 C +ATOM 1964 C LEU A 208 -22.327 1.945 10.979 1.00 24.97 C +ATOM 1965 O LEU A 208 -21.382 1.529 11.646 1.00 24.11 O +ATOM 1966 CB LEU A 208 -22.731 0.412 9.137 1.00 19.32 C +ATOM 1967 CG LEU A 208 -22.542 -0.205 7.746 1.00 29.42 C +ATOM 1968 CD1 LEU A 208 -23.386 -1.454 7.510 1.00 24.80 C +ATOM 1969 CD2 LEU A 208 -22.697 0.733 6.651 1.00 30.38 C +ATOM 1970 N SER A 209 -23.430 2.488 11.516 1.00 21.74 N +ATOM 1971 CA SER A 209 -23.519 2.629 12.960 1.00 22.90 C +ATOM 1972 C SER A 209 -24.975 2.499 13.365 1.00 21.63 C +ATOM 1973 O SER A 209 -25.836 2.200 12.543 1.00 20.78 O +ATOM 1974 CB SER A 209 -22.944 3.961 13.398 1.00 22.03 C +ATOM 1975 OG SER A 209 -23.687 5.041 12.860 1.00 30.27 O +ATOM 1976 N LYS A 210 -25.199 2.552 14.671 1.00 24.72 N +ATOM 1977 CA LYS A 210 -26.504 2.444 15.292 1.00 22.77 C +ATOM 1978 C LYS A 210 -26.776 3.681 16.123 1.00 30.81 C +ATOM 1979 O LYS A 210 -25.864 4.328 16.640 1.00 31.78 O +ATOM 1980 CB LYS A 210 -26.618 1.211 16.180 1.00 25.92 C +ATOM 1981 CG LYS A 210 -26.535 -0.149 15.519 1.00 24.00 C +ATOM 1982 CD LYS A 210 -27.694 -0.399 14.560 1.00 23.73 C +ATOM 1983 CE LYS A 210 -27.650 -1.876 14.125 1.00 23.60 C +ATOM 1984 NZ LYS A 210 -28.687 -2.210 13.147 1.00 23.73 N +ATOM 1985 N ASP A 211 -28.041 4.039 16.189 1.00 27.53 N +ATOM 1986 CA ASP A 211 -28.495 5.123 17.034 1.00 27.35 C +ATOM 1987 C ASP A 211 -28.874 4.529 18.394 1.00 29.62 C +ATOM 1988 O ASP A 211 -29.789 3.697 18.464 1.00 27.91 O +ATOM 1989 CB ASP A 211 -29.676 5.807 16.335 1.00 25.17 C +ATOM 1990 CG ASP A 211 -30.379 6.877 17.180 1.00 35.81 C +ATOM 1991 OD1 ASP A 211 -30.017 7.090 18.348 1.00 32.10 O +ATOM 1992 OD2 ASP A 211 -31.300 7.503 16.603 1.00 34.58 O1- +ATOM 1993 N PRO A 212 -28.175 4.868 19.472 1.00 43.51 N +ATOM 1994 CA PRO A 212 -28.418 4.158 20.743 1.00 41.79 C +ATOM 1995 C PRO A 212 -29.795 4.421 21.347 1.00 35.60 C +ATOM 1996 O PRO A 212 -30.237 3.614 22.177 1.00 40.49 O +ATOM 1997 CB PRO A 212 -27.287 4.660 21.665 1.00 45.87 C +ATOM 1998 CG PRO A 212 -26.868 5.990 21.083 1.00 44.88 C +ATOM 1999 CD PRO A 212 -27.124 5.903 19.576 1.00 41.11 C +ATOM 2000 N ASN A 213 -30.521 5.448 20.904 1.00 35.33 N +ATOM 2001 CA ASN A 213 -31.869 5.709 21.403 1.00 33.49 C +ATOM 2002 C ASN A 213 -32.986 5.150 20.530 1.00 36.61 C +ATOM 2003 O ASN A 213 -34.166 5.315 20.855 1.00 40.00 O +ATOM 2004 CB ASN A 213 -32.054 7.204 21.558 1.00 42.49 C +ATOM 2005 CG ASN A 213 -31.029 7.786 22.496 1.00 61.96 C +ATOM 2006 OD1 ASN A 213 -30.671 7.157 23.503 1.00 51.65 O +ATOM 2007 ND2 ASN A 213 -30.509 8.961 22.155 1.00 68.73 N +ATOM 2008 N GLU A 214 -32.652 4.429 19.478 1.00 27.72 N +ATOM 2009 CA GLU A 214 -33.620 4.008 18.478 1.00 20.86 C +ATOM 2010 C GLU A 214 -34.021 2.574 18.781 1.00 24.52 C +ATOM 2011 O GLU A 214 -33.172 1.685 18.800 1.00 30.11 O +ATOM 2012 CB GLU A 214 -32.978 4.139 17.076 1.00 23.88 C +ATOM 2013 CG GLU A 214 -33.886 3.725 15.928 1.00 23.79 C +ATOM 2014 CD GLU A 214 -35.201 4.441 15.957 1.00 24.29 C +ATOM 2015 OE1 GLU A 214 -35.192 5.651 15.634 1.00 26.48 O +ATOM 2016 OE2 GLU A 214 -36.236 3.837 16.306 1.00 26.96 O1- +ATOM 2017 N LYS A 215 -35.326 2.320 18.993 1.00 23.62 N +ATOM 2018 CA LYS A 215 -35.743 0.949 19.193 1.00 25.68 C +ATOM 2019 C LYS A 215 -36.165 0.241 17.918 1.00 27.34 C +ATOM 2020 O LYS A 215 -36.302 -0.994 17.933 1.00 29.84 O +ATOM 2021 CB LYS A 215 -36.959 0.857 20.174 1.00 30.09 C +ATOM 2022 CG LYS A 215 -36.826 1.662 21.488 1.00 53.10 C +ATOM 2023 CD LYS A 215 -35.639 1.241 22.330 1.00 54.52 C +ATOM 2024 CE LYS A 215 -35.742 -0.182 22.841 1.00 64.58 C +ATOM 2025 NZ LYS A 215 -34.751 -0.446 23.939 1.00 72.73 N +ATOM 2026 N ARG A 216 -36.454 0.968 16.838 1.00 24.27 N +ATOM 2027 CA ARG A 216 -36.816 0.260 15.632 1.00 20.31 C +ATOM 2028 C ARG A 216 -35.544 -0.301 14.959 1.00 19.52 C +ATOM 2029 O ARG A 216 -34.432 0.148 15.245 1.00 22.54 O +ATOM 2030 CB ARG A 216 -37.548 1.205 14.688 1.00 20.89 C +ATOM 2031 CG ARG A 216 -38.851 1.807 15.366 1.00 20.96 C +ATOM 2032 CD ARG A 216 -39.417 3.013 14.555 1.00 23.71 C +ATOM 2033 NE ARG A 216 -38.543 4.153 14.719 1.00 23.74 N +ATOM 2034 CZ ARG A 216 -38.684 5.334 14.113 1.00 25.53 C +ATOM 2035 NH1 ARG A 216 -37.756 6.281 14.332 1.00 23.49 N +ATOM 2036 NH2 ARG A 216 -39.725 5.563 13.293 1.00 24.22 N +ATOM 2037 N ASP A 217 -35.743 -1.318 14.122 1.00 20.52 N +ATOM 2038 CA ASP A 217 -34.627 -1.877 13.340 1.00 18.20 C +ATOM 2039 C ASP A 217 -34.185 -0.785 12.332 1.00 17.96 C +ATOM 2040 O ASP A 217 -35.032 -0.274 11.574 1.00 22.00 O +ATOM 2041 CB ASP A 217 -35.126 -3.120 12.604 1.00 19.83 C +ATOM 2042 CG ASP A 217 -33.984 -4.057 12.156 1.00 22.66 C +ATOM 2043 OD1 ASP A 217 -32.814 -3.713 12.359 1.00 23.92 O +ATOM 2044 OD2 ASP A 217 -34.312 -5.096 11.580 1.00 29.00 O1- +ATOM 2045 N HIS A 218 -32.891 -0.465 12.294 1.00 19.55 N +ATOM 2046 CA HIS A 218 -32.454 0.747 11.597 1.00 18.69 C +ATOM 2047 C HIS A 218 -30.981 0.604 11.271 1.00 19.78 C +ATOM 2048 O HIS A 218 -30.296 -0.267 11.792 1.00 21.56 O +ATOM 2049 CB HIS A 218 -32.643 2.002 12.435 1.00 21.02 C +ATOM 2050 CG HIS A 218 -31.711 2.091 13.598 1.00 18.87 C +ATOM 2051 ND1 HIS A 218 -31.875 1.333 14.750 1.00 22.36 N +ATOM 2052 CD2 HIS A 218 -30.615 2.853 13.800 1.00 20.58 C +ATOM 2053 CE1 HIS A 218 -30.903 1.629 15.601 1.00 22.03 C +ATOM 2054 NE2 HIS A 218 -30.111 2.528 15.041 1.00 23.39 N +ATOM 2055 N MET A 219 -30.516 1.491 10.417 1.00 18.75 N +ATOM 2056 CA MET A 219 -29.088 1.577 10.071 1.00 18.31 C +ATOM 2057 C MET A 219 -28.778 3.044 9.878 1.00 20.51 C +ATOM 2058 O MET A 219 -29.544 3.773 9.243 1.00 21.35 O +ATOM 2059 CB MET A 219 -28.731 0.815 8.747 1.00 19.75 C +ATOM 2060 CG MET A 219 -27.362 1.253 8.149 1.00 21.72 C +ATOM 2061 SD MET A 219 -26.998 0.195 6.663 1.00 22.82 S +ATOM 2062 CE MET A 219 -28.146 0.843 5.418 1.00 20.79 C +ATOM 2063 N VAL A 220 -27.646 3.483 10.432 1.00 18.48 N +ATOM 2064 CA VAL A 220 -27.143 4.826 10.247 1.00 17.25 C +ATOM 2065 C VAL A 220 -25.944 4.704 9.325 1.00 20.10 C +ATOM 2066 O VAL A 220 -25.081 3.821 9.521 1.00 20.12 O +ATOM 2067 CB VAL A 220 -26.727 5.521 11.552 1.00 18.26 C +ATOM 2068 CG1 VAL A 220 -26.163 6.916 11.203 1.00 22.18 C +ATOM 2069 CG2 VAL A 220 -27.937 5.645 12.571 1.00 24.26 C +ATOM 2070 N LEU A 221 -25.948 5.486 8.281 1.00 19.08 N +ATOM 2071 CA LEU A 221 -24.932 5.384 7.219 1.00 18.06 C +ATOM 2072 C LEU A 221 -24.217 6.689 6.950 1.00 20.16 C +ATOM 2073 O LEU A 221 -24.854 7.650 6.729 1.00 21.57 O +ATOM 2074 CB LEU A 221 -25.605 4.871 5.934 1.00 19.69 C +ATOM 2075 CG LEU A 221 -24.747 4.775 4.673 1.00 19.86 C +ATOM 2076 CD1 LEU A 221 -23.655 3.736 4.823 1.00 25.10 C +ATOM 2077 CD2 LEU A 221 -25.603 4.433 3.474 1.00 22.75 C +ATOM 2078 N LEU A 222 -22.899 6.624 6.962 1.00 19.10 N +ATOM 2079 CA LEU A 222 -22.054 7.720 6.480 1.00 20.44 C +ATOM 2080 C LEU A 222 -21.285 7.198 5.256 1.00 18.42 C +ATOM 2081 O LEU A 222 -20.645 6.216 5.346 1.00 22.95 O +ATOM 2082 CB LEU A 222 -21.082 8.155 7.557 1.00 21.82 C +ATOM 2083 CG LEU A 222 -20.001 9.147 7.149 1.00 23.77 C +ATOM 2084 CD1 LEU A 222 -20.601 10.509 6.875 1.00 22.68 C +ATOM 2085 CD2 LEU A 222 -18.955 9.247 8.242 1.00 31.89 C +ATOM 2086 N GLU A 223 -21.464 7.865 4.144 1.00 17.27 N +ATOM 2087 CA GLU A 223 -20.807 7.502 2.888 1.00 16.69 C +ATOM 2088 C GLU A 223 -20.014 8.663 2.288 1.00 18.33 C +ATOM 2089 O GLU A 223 -20.469 9.715 2.296 1.00 20.80 O +ATOM 2090 CB GLU A 223 -21.882 7.080 1.897 1.00 22.66 C +ATOM 2091 CG GLU A 223 -21.574 5.934 0.992 1.00 26.78 C +ATOM 2092 CD GLU A 223 -22.782 5.607 0.132 1.00 21.14 C +ATOM 2093 OE1 GLU A 223 -23.478 4.669 0.431 1.00 25.64 O +ATOM 2094 OE2 GLU A 223 -22.993 6.314 -0.814 1.00 31.69 O1- +ATOM 2095 N PHE A 224 -18.838 8.331 1.766 1.00 16.33 N +ATOM 2096 CA PHE A 224 -18.040 9.275 0.973 1.00 17.66 C +ATOM 2097 C PHE A 224 -17.818 8.656 -0.398 1.00 20.12 C +ATOM 2098 O PHE A 224 -17.478 7.543 -0.467 1.00 24.03 O +ATOM 2099 CB PHE A 224 -16.686 9.567 1.622 1.00 18.35 C +ATOM 2100 CG PHE A 224 -16.771 10.382 2.880 1.00 19.96 C +ATOM 2101 CD1 PHE A 224 -16.890 11.757 2.830 1.00 21.19 C +ATOM 2102 CD2 PHE A 224 -16.742 9.772 4.114 1.00 22.95 C +ATOM 2103 CE1 PHE A 224 -16.964 12.503 3.993 1.00 24.05 C +ATOM 2104 CE2 PHE A 224 -16.823 10.517 5.276 1.00 25.88 C +ATOM 2105 CZ PHE A 224 -16.940 11.877 5.213 1.00 23.59 C +ATOM 2106 N VAL A 225 -18.097 9.440 -1.423 1.00 19.52 N +ATOM 2107 CA VAL A 225 -17.850 8.956 -2.793 1.00 18.23 C +ATOM 2108 C VAL A 225 -17.138 10.038 -3.593 1.00 20.24 C +ATOM 2109 O VAL A 225 -17.607 11.160 -3.655 1.00 20.36 O +ATOM 2110 CB VAL A 225 -19.152 8.609 -3.534 1.00 21.71 C +ATOM 2111 CG1 VAL A 225 -18.789 7.982 -4.905 1.00 23.57 C +ATOM 2112 CG2 VAL A 225 -20.091 7.697 -2.667 1.00 29.67 C +ATOM 2113 N THR A 226 -16.008 9.691 -4.231 1.00 20.96 N +ATOM 2114 CA ATHR A 226 -15.230 10.630 -5.032 0.74 18.96 C +ATOM 2115 CA BTHR A 226 -15.304 10.660 -5.055 0.26 18.64 C +ATOM 2116 C THR A 226 -14.893 10.049 -6.382 1.00 17.93 C +ATOM 2117 O THR A 226 -14.515 8.879 -6.464 1.00 23.74 O +ATOM 2118 CB ATHR A 226 -13.896 10.939 -4.316 0.74 24.73 C +ATOM 2119 CB BTHR A 226 -14.065 11.203 -4.331 0.26 24.71 C +ATOM 2120 OG1ATHR A 226 -14.192 11.215 -2.950 0.74 27.22 O +ATOM 2121 OG1BTHR A 226 -13.372 10.107 -3.743 0.26 19.15 O +ATOM 2122 CG2ATHR A 226 -13.204 12.119 -4.939 0.74 25.36 C +ATOM 2123 CG2BTHR A 226 -14.472 12.173 -3.228 0.26 26.62 C +ATOM 2124 N ALA A 227 -14.975 10.864 -7.407 1.00 18.14 N +ATOM 2125 CA ALA A 227 -14.622 10.397 -8.729 1.00 19.30 C +ATOM 2126 C ALA A 227 -13.127 10.573 -8.929 1.00 23.89 C +ATOM 2127 O ALA A 227 -12.504 11.510 -8.405 1.00 25.23 O +ATOM 2128 CB ALA A 227 -15.376 11.190 -9.799 1.00 20.79 C +ATOM 2129 N ALA A 228 -12.574 9.681 -9.730 1.00 21.43 N +ATOM 2130 CA ALA A 228 -11.142 9.774 -10.013 1.00 25.78 C +ATOM 2131 C ALA A 228 -10.854 9.101 -11.346 1.00 29.30 C +ATOM 2132 O ALA A 228 -11.715 8.470 -11.966 1.00 23.55 O +ATOM 2133 CB ALA A 228 -10.356 9.101 -8.879 1.00 29.35 C +ATOM 2134 N GLY A 229 -9.606 9.212 -11.777 1.00 32.03 N +ATOM 2135 CA GLY A 229 -9.107 8.279 -12.771 1.00 36.81 C +ATOM 2136 C GLY A 229 -8.867 8.938 -14.096 1.00 39.77 C +ATOM 2137 O GLY A 229 -8.445 8.270 -15.044 1.00 44.91 O +ATOM 2138 N ILE A 230 -9.160 10.227 -14.192 1.00 44.87 N +ATOM 2139 CA ILE A 230 -8.784 11.057 -15.327 1.00 50.23 C +ATOM 2140 C ILE A 230 -7.769 12.074 -14.808 1.00 58.35 C +ATOM 2141 O ILE A 230 -8.037 12.769 -13.822 1.00 45.15 O +ATOM 2142 CB ILE A 230 -10.026 11.713 -15.951 1.00 49.65 C +ATOM 2143 CG1 ILE A 230 -10.918 10.624 -16.553 1.00 50.40 C +ATOM 2144 CG2 ILE A 230 -9.646 12.740 -17.013 1.00 56.35 C +ATOM 2145 CD1 ILE A 230 -12.167 11.145 -17.056 1.00 43.40 C +ATOM 2146 N THR A 231 -6.579 12.111 -15.414 1.00 66.90 N +ATOM 2147 CA THR A 231 -5.483 12.932 -14.894 1.00 68.67 C +ATOM 2148 C THR A 231 -5.591 14.383 -15.366 1.00 72.88 C +ATOM 2149 O THR A 231 -5.904 14.655 -16.537 1.00 68.40 O +ATOM 2150 CB THR A 231 -4.125 12.353 -15.319 1.00 79.24 C +ATOM 2151 OG1 THR A 231 -4.115 12.128 -16.736 1.00 85.13 O +ATOM 2152 CG2 THR A 231 -3.833 11.037 -14.602 1.00 67.56 C +TER 2153 THR A 231 +HETATM 2154 O HOH A 301 -16.259 -4.428 -1.418 0.65 30.00 O +HETATM 2155 O HOH A 302 -17.770 -2.939 0.180 1.00 44.60 O +HETATM 2156 O HOH A 303 -34.021 15.603 -18.719 0.50 30.00 O +HETATM 2157 O HOH A 304 -18.019 1.489 0.261 1.00 30.60 O +HETATM 2158 O HOH A 305 -15.280 19.770 -16.247 1.00 30.00 O +HETATM 2159 O HOH A 306 -39.310 20.444 -1.010 1.00 35.32 O +HETATM 2160 O HOH A 307 -22.471 20.484 -1.673 1.00 41.36 O +HETATM 2161 O HOH A 308 -19.966 17.343 -10.532 1.00 32.12 O +HETATM 2162 O HOH A 309 -17.144 5.671 -21.275 1.00 34.57 O +HETATM 2163 O HOH A 310 -19.749 -1.157 11.756 1.00 40.02 O +HETATM 2164 O HOH A 311 -28.557 -9.038 10.193 1.00 34.20 O +HETATM 2165 O HOH A 312 -25.251 -17.461 1.455 1.00 34.37 O +HETATM 2166 O HOH A 313 -26.533 -15.641 -7.175 1.00 32.47 O +HETATM 2167 O HOH A 314 -35.338 12.277 10.344 1.00 35.78 O +HETATM 2168 O HOH A 315 -13.644 -18.965 3.834 1.00 32.98 O +HETATM 2169 O HOH A 316 -24.943 19.255 -15.702 1.00 48.68 O +HETATM 2170 O HOH A 317 -29.445 -16.551 -7.766 1.00 43.49 O +HETATM 2171 O HOH A 318 -32.889 -7.220 11.072 1.00 34.54 O +HETATM 2172 O HOH A 319 -43.463 -12.825 -3.355 1.00 45.12 O +HETATM 2173 O HOH A 320 -27.819 -3.356 -2.184 1.00 17.95 O +HETATM 2174 O HOH A 321 -32.294 21.111 -2.386 1.00 34.07 O +HETATM 2175 O HOH A 322 -19.027 14.524 -21.346 1.00 39.15 O +HETATM 2176 O HOH A 323 -21.426 -18.891 6.758 1.00 45.33 O +HETATM 2177 O HOH A 324 -14.553 -2.528 -9.157 1.00 46.30 O +HETATM 2178 O HOH A 325 -29.524 -16.662 2.464 1.00 29.14 O +HETATM 2179 O HOH A 326 -31.571 0.095 -8.298 1.00 23.65 O +HETATM 2180 O HOH A 327 -17.109 0.316 7.478 1.00 45.81 O +HETATM 2181 O HOH A 328 -10.063 12.338 -7.737 1.00 34.53 O +HETATM 2182 O HOH A 329 -18.462 -21.016 -4.501 1.00 38.06 O +HETATM 2183 O HOH A 330 -31.010 -5.664 12.616 1.00 39.95 O +HETATM 2184 O HOH A 331 -21.323 18.521 -13.811 1.00 32.25 O +HETATM 2185 O HOH A 332 -44.407 -7.479 6.003 1.00 49.18 O +HETATM 2186 O HOH A 333 -21.994 -13.929 -7.306 1.00 34.88 O +HETATM 2187 O HOH A 334 -34.654 -13.648 7.526 1.00 33.66 O +HETATM 2188 O HOH A 335 -27.664 6.537 -7.854 1.00 22.13 O +HETATM 2189 O HOH A 336 -37.134 4.251 19.496 1.00 45.06 O +HETATM 2190 O HOH A 337 -25.102 18.625 -2.454 1.00 24.46 O +HETATM 2191 O HOH A 338 -31.127 4.399 -6.654 1.00 20.26 O +HETATM 2192 O HOH A 339 -10.785 7.681 -19.352 1.00 47.53 O +HETATM 2193 O HOH A 340 -40.879 -8.046 12.210 1.00 46.17 O +HETATM 2194 O HOH A 341 -18.565 -4.593 2.087 1.00 27.26 O +HETATM 2195 O HOH A 342 -40.649 -9.150 6.162 1.00 40.27 O +HETATM 2196 O HOH A 343 -38.114 16.500 -10.792 1.00 44.48 O +HETATM 2197 O HOH A 344 -39.157 13.172 -13.472 1.00 39.29 O +HETATM 2198 O HOH A 345 -24.576 -3.365 -0.378 1.00 20.56 O +HETATM 2199 O HOH A 346 -29.378 -1.977 -6.345 1.00 18.34 O +HETATM 2200 O HOH A 347 -20.732 -5.728 4.249 1.00 25.91 O +HETATM 2201 O HOH A 348 -21.611 10.688 -1.710 1.00 42.43 O +HETATM 2202 O HOH A 349 -29.861 -20.396 -4.572 1.00 42.84 O +HETATM 2203 O HOH A 350 -40.351 17.478 -1.240 1.00 41.42 O +HETATM 2204 O HOH A 351 -41.748 2.865 4.392 1.00 42.57 O +HETATM 2205 O HOH A 352 -31.200 21.854 -4.947 1.00 45.20 O +HETATM 2206 O HOH A 353 -31.678 2.132 -16.595 1.00 36.07 O +HETATM 2207 O HOH A 354 -20.887 -7.849 6.020 1.00 28.39 O +HETATM 2208 O HOH A 355 -22.516 12.760 -9.231 1.00 20.31 O +HETATM 2209 O HOH A 356 -32.934 -6.529 -12.630 1.00 40.36 O +HETATM 2210 O HOH A 357 -24.773 6.973 -2.916 1.00 21.20 O +HETATM 2211 O HOH A 358 -18.448 -14.289 -9.501 1.00 47.87 O +HETATM 2212 O HOH A 359 -33.299 13.151 -17.200 1.00 29.89 O +HETATM 2213 O HOH A 360 -17.930 -6.339 5.132 1.00 32.28 O +HETATM 2214 O HOH A 361 -37.136 -18.785 -8.554 1.00 30.00 O +HETATM 2215 O HOH A 362 -40.335 -6.526 8.002 1.00 35.99 O +HETATM 2216 O HOH A 363 -15.845 19.927 -4.458 1.00 31.75 O +HETATM 2217 O HOH A 364 -17.682 20.617 -6.496 1.00 45.28 O +HETATM 2218 O HOH A 365 -12.299 3.226 -2.143 1.00 45.67 O +HETATM 2219 O HOH A 366 -40.208 12.862 6.441 1.00 34.11 O +HETATM 2220 O HOH A 367 -26.134 -10.230 9.354 1.00 28.81 O +HETATM 2221 O HOH A 368 -43.167 -4.782 0.048 1.00 39.10 O +HETATM 2222 O HOH A 369 -9.167 22.113 -13.501 1.00 37.85 O +HETATM 2223 O HOH A 370 -22.416 5.865 10.502 1.00 32.67 O +HETATM 2224 O HOH A 371 -35.051 7.972 8.987 1.00 37.83 O +HETATM 2225 O HOH A 372 -17.679 -1.536 -14.833 1.00 32.68 O +HETATM 2226 O HOH A 373 -25.501 -4.283 -18.731 1.00 37.62 O +HETATM 2227 O HOH A 374 -40.251 19.027 -8.269 1.00 44.30 O +HETATM 2228 O HOH A 375 -28.332 -4.887 12.351 1.00 30.98 O +HETATM 2229 O HOH A 376 -16.040 -1.859 -11.483 1.00 27.53 O +HETATM 2230 O HOH A 377 -10.021 17.117 -6.528 1.00 46.43 O +HETATM 2231 O HOH A 378 -20.018 -18.127 -1.459 1.00 44.84 O +HETATM 2232 O HOH A 379 -26.747 -2.003 -19.853 1.00 42.66 O +HETATM 2233 O HOH A 380 -20.880 9.774 -14.457 1.00 28.45 O +HETATM 2234 O HOH A 381 -38.520 -1.693 13.120 1.00 29.73 O +HETATM 2235 O HOH A 382 -31.269 -2.312 14.326 1.00 29.63 O +HETATM 2236 O HOH A 383 -24.687 -5.975 -1.674 1.00 24.14 O +HETATM 2237 O HOH A 384 -37.498 -17.520 -4.287 1.00 31.33 O +HETATM 2238 O HOH A 385 -28.280 13.895 8.150 1.00 46.12 O +HETATM 2239 O HOH A 386 -35.103 5.848 -18.610 1.00 42.55 O +HETATM 2240 O HOH A 387 -37.462 -4.886 -9.085 1.00 40.11 O +HETATM 2241 O HOH A 388 -23.681 -18.688 -7.437 1.00 39.48 O +HETATM 2242 O HOH A 389 -13.533 6.810 -22.256 1.00 44.18 O +HETATM 2243 O HOH A 390 -22.544 13.943 -23.562 1.00 43.84 O +HETATM 2244 O HOH A 391 -21.401 -7.510 13.278 1.00 41.87 O +HETATM 2245 O HOH A 392 -30.487 1.717 -6.336 1.00 21.72 O +HETATM 2246 O HOH A 393 -40.873 2.256 -3.299 1.00 37.39 O +HETATM 2247 O HOH A 394 -18.856 0.253 9.016 1.00 35.63 O +HETATM 2248 O HOH A 395 -34.095 -4.230 -12.548 1.00 40.16 O +HETATM 2249 O HOH A 396 -34.980 -11.182 -8.113 1.00 33.42 O +HETATM 2250 O HOH A 397 -15.760 1.608 3.881 1.00 33.59 O +HETATM 2251 O HOH A 398 -33.503 15.664 5.488 1.00 47.83 O +HETATM 2252 O HOH A 399 -12.243 -1.563 3.608 1.00 41.32 O +HETATM 2253 O HOH A 400 -22.984 9.198 -3.560 1.00 39.80 O +HETATM 2254 O HOH A 401 -41.119 -5.591 -4.684 1.00 45.74 O +HETATM 2255 O HOH A 402 -35.093 14.339 4.469 1.00 38.78 O +HETATM 2256 O AHOH A 403 -14.317 8.635 -1.271 0.70 27.50 O +HETATM 2257 O BHOH A 403 -14.111 7.492 -0.358 0.30 25.45 O +HETATM 2258 O HOH A 404 -30.718 -6.919 9.433 1.00 48.03 O +HETATM 2259 O HOH A 405 -18.998 -15.756 -1.580 1.00 32.92 O +HETATM 2260 O HOH A 406 -14.602 25.337 -16.687 1.00 46.37 O +HETATM 2261 O HOH A 407 -22.933 2.165 16.588 1.00 44.37 O +HETATM 2262 O HOH A 408 -37.482 7.446 7.964 1.00 40.77 O +HETATM 2263 O HOH A 409 -27.021 -19.817 -6.408 0.60 30.00 O +HETATM 2264 O HOH A 410 -27.342 13.286 -24.538 1.00 43.94 O +HETATM 2265 O HOH A 411 -15.167 -4.723 -8.373 1.00 37.93 O +HETATM 2266 O HOH A 412 -19.374 17.218 -7.459 1.00 29.50 O +HETATM 2267 O HOH A 413 -24.000 14.812 4.595 1.00 36.15 O +HETATM 2268 O HOH A 414 -27.871 -6.232 9.772 1.00 30.94 O +HETATM 2269 O HOH A 415 -25.236 -7.196 9.836 1.00 32.53 O +HETATM 2270 O HOH A 416 -28.196 22.704 -3.349 1.00 48.84 O +HETATM 2271 O HOH A 417 -24.158 -3.688 -16.502 1.00 33.62 O +HETATM 2272 O HOH A 418 -39.079 2.508 -8.571 1.00 41.86 O +HETATM 2273 O HOH A 419 -32.365 -1.029 17.469 1.00 48.48 O +HETATM 2274 O HOH A 420 -23.539 17.573 -14.525 1.00 41.67 O +HETATM 2275 O HOH A 421 -27.813 10.004 9.841 1.00 45.44 O +HETATM 2276 O HOH A 422 -25.560 -19.295 -7.317 0.40 30.00 O +HETATM 2277 O HOH A 423 -24.312 -16.105 -8.707 1.00 47.29 O +HETATM 2278 O HOH A 424 -34.262 10.184 10.953 1.00 37.10 O +CONECT 595 601 602 603 +CONECT 601 595 604 +CONECT 602 595 605 +CONECT 603 595 606 +CONECT 604 601 607 610 +CONECT 605 602 608 611 +CONECT 606 603 609 612 +CONECT 607 604 +CONECT 608 605 +CONECT 609 606 +CONECT 610 604 613 616 +CONECT 611 605 614 617 +CONECT 612 606 615 618 +CONECT 613 610 625 +CONECT 614 611 626 +CONECT 615 612 627 +CONECT 616 610 619 628 +CONECT 617 611 620 629 +CONECT 618 612 621 630 +CONECT 619 616 622 625 +CONECT 620 617 623 626 +CONECT 621 618 624 627 +CONECT 622 619 +CONECT 623 620 +CONECT 624 621 +CONECT 625 613 619 637 +CONECT 626 614 620 638 +CONECT 627 615 621 639 +CONECT 628 616 631 +CONECT 629 617 632 +CONECT 630 618 633 +CONECT 631 628 634 664 +CONECT 632 629 635 664 +CONECT 633 630 636 664 +CONECT 634 631 +CONECT 635 632 +CONECT 636 633 +CONECT 637 625 640 +CONECT 638 626 641 +CONECT 639 627 642 +CONECT 640 637 643 646 +CONECT 641 638 644 647 +CONECT 642 639 645 648 +CONECT 643 640 649 +CONECT 644 641 650 +CONECT 645 642 651 +CONECT 646 640 652 +CONECT 647 641 653 +CONECT 648 642 654 +CONECT 649 643 655 +CONECT 650 644 656 +CONECT 651 645 657 +CONECT 652 646 655 661 +CONECT 653 647 656 662 +CONECT 654 648 657 663 +CONECT 655 649 652 658 +CONECT 656 650 653 659 +CONECT 657 651 654 660 +CONECT 658 655 +CONECT 659 656 +CONECT 660 657 +CONECT 661 652 +CONECT 662 653 +CONECT 663 654 +CONECT 664 631 632 633 +MASTER 251 0 1 5 12 0 0 6 2008 1 65 20 +END diff --git a/test/functional/test_scripts.py b/test/functional/test_scripts.py index a855c80..9fe7952 100644 --- a/test/functional/test_scripts.py +++ b/test/functional/test_scripts.py @@ -15,8 +15,8 @@ def check_test_file_exists(path: Path) -> None: @pytest.fixture -def scaled_test_data_mtz(test_data_dir: Path) -> Path: - path = test_data_dir / "scaled-test-data.mtz" +def scaled_test_data_mtz(data_dir: Path) -> Path: + path = data_dir / "scaled-test-data.mtz" check_test_file_exists(path) return path