PDB file: /mnt/tempusvernum/primarydock/pdbs/coupled/OR2/OR2T34_hGNAL.pdb Ligand: sdf/floralozone.sdf Static dock - no path nodes. Pose: 1 Node: 0 # Binding energies BENERG: Tyr78: -0.382163 Met106: -0.137983 Phe107: -0.00212491 Phe108: -0.0144959 His109: -8.37495 Leu110: -0.638597 Thr111: -0.0553055 Leu112: -0.13295 Ala113: 1.11132 Glu116: -0.29248 Val117: -0.269638 Glu185: -0.140079 Thr186: -0.474497 Pro187: -0.309534 Tyr200: -0.840708 Lys201: -0.137245 Tyr205: -0.0229807 Cys208: -0.217749 Met211: -0.00874625 Leu212: -0.462411 Leu256: 0.0163524 Phe257: 0.549569 Ala259: 3.56374 Ser260: 1.95712 Phe261: -0.0228856 Tyr262: -0.254012 Thr263: -2.06028 Tyr264: -0.0177158 Met265: -0.0807139 Tyr283: -0.662779 Total ionic: -0 Total H-bond: -2.24979 Total pi stack: -0.3022 Total polar-pi and cation-pi: -8.52099 Total metal coordination: -0 Total van der Waals: -9.52327 Total: -8.81492 Best-Binding Pairs: O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 C13 C14 H28 H29 H30 H31 H32 - Met74 Tyr78 Leu112 Ligand polar satisfaction: 94.5746 Proximity: 1.59332 Protein clashes: -85.5281 # van der Waals repulsion vdWRPL: His109: 2.95486 Leu110: 0.969314 Ala113: 2.05868 Val117: 0.0252161 Thr186: 0.0991805 Pro187: 0.180344 Tyr200: 0.0102084 Leu212: 0.00459531 Leu256: 0.0161194 Ala259: 0.573605 Ser260: 0.288218 Thr263: 2.25954 Tyr264: 6.33613 Tyr283: 0.0120542 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 6.602 4.901 4.647 1.00001.00 O HETATM 9001 C2 LIG 0 4.357 4.186 4.004 1.00001.00 C HETATM 9002 C3 LIG 0 3.269 5.201 3.569 1.00001.00 C HETATM 9003 C4 LIG 0 3.272 6.525 4.299 1.00001.00 C HETATM 9004 C5 LIG 0 4.190 3.740 5.463 1.00001.00 C HETATM 9005 C6 LIG 0 4.266 2.947 3.096 1.00001.00 C HETATM 9006 C7 LIG 0 5.741 4.788 3.779 1.00001.00 C HETATM 9007 C8 LIG 0 3.977 7.591 3.766 1.00001.00 C HETATM 9008 C9 LIG 0 2.570 6.645 5.487 1.00001.00 C HETATM 9009 C10 LIG 0 3.277 8.950 5.637 1.00001.00 C HETATM 9010 C11 LIG 0 3.980 8.812 4.440 1.00001.00 C HETATM 9011 C12 LIG 0 2.572 7.866 6.160 1.00001.00 C HETATM 9012 C13 LIG 0 3.279 10.256 6.357 1.00001.00 C HETATM 9013 C14 LIG 0 4.415 10.358 7.372 1.00001.00 C HETATM 9014 H15 LIG 0 2.276 4.742 3.675 1.00001.00 H HETATM 9015 H16 LIG 0 3.368 5.408 2.494 1.00001.00 H HETATM 9016 H17 LIG 0 4.906 2.949 5.718 1.00001.00 H HETATM 9017 H18 LIG 0 3.184 3.349 5.646 1.00001.00 H HETATM 9018 H19 LIG 0 4.370 4.562 6.165 1.00001.00 H HETATM 9019 H20 LIG 0 4.394 3.215 2.040 1.00001.00 H HETATM 9020 H21 LIG 0 5.048 2.218 3.339 1.00001.00 H HETATM 9021 H22 LIG 0 3.296 2.449 3.201 1.00001.00 H HETATM 9022 H23 LIG 0 5.949 5.126 2.748 1.00001.00 H HETATM 9023 H24 LIG 0 4.525 7.497 2.833 1.00001.00 H HETATM 9024 H25 LIG 0 2.015 5.808 5.902 1.00001.00 H HETATM 9025 H26 LIG 0 4.534 9.649 4.022 1.00001.00 H HETATM 9026 H27 LIG 0 2.022 7.960 7.093 1.00001.00 H HETATM 9027 H28 LIG 0 3.360 11.080 5.637 1.00001.00 H HETATM 9028 H29 LIG 0 2.320 10.403 6.868 1.00001.00 H HETATM 9029 H30 LIG 0 4.337 9.574 8.133 1.00001.00 H HETATM 9030 H31 LIG 0 4.383 11.328 7.878 1.00001.00 H HETATM 9031 H32 LIG 0 5.391 10.260 6.886 1.00001.00 H ATOM 1144 N MET 74 -8.010 -4.490 1.537 1.00001.00 N ATOM 1145 HN MET 74 -7.738 -5.329 2.008 1.00001.00 H ATOM 1146 CA MET 74 -7.153 -3.319 1.760 1.00001.00 C ATOM 1147 HA MET 74 -7.740 -2.539 2.244 1.00001.00 H ATOM 1148 CB MET 74 -6.024 -3.655 2.749 1.00001.00 C ATOM 1149 HB1 MET 74 -5.261 -2.878 2.688 1.00001.00 H ATOM 1150 HB2 MET 74 -5.586 -4.614 2.470 1.00001.00 H ATOM 1151 CG MET 74 -6.522 -3.742 4.196 1.00001.00 C ATOM 1152 HG1 MET 74 -7.294 -4.512 4.249 1.00001.00 H ATOM 1153 HG2 MET 74 -6.952 -2.779 4.471 1.00001.00 H ATOM 1154 SD MET 74 -5.222 -4.152 5.390 1.00001.00 S ATOM 1155 CE MET 74 -4.361 -2.562 5.453 1.00001.00 C ATOM 1156 HE1 MET 74 -3.753 -2.442 4.556 1.00001.00 H ATOM 1157 HE2 MET 74 -3.718 -2.531 6.333 1.00001.00 H ATOM 1158 HE3 MET 74 -5.091 -1.755 5.509 1.00001.00 H ATOM 1159 C MET 74 -6.589 -2.772 0.445 1.00001.00 C ATOM 1160 O MET 74 -6.721 -1.576 0.192 1.00001.00 O ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.122 1.030 -2.316 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.039 -0.217 -1.436 1.00001.00 H ATOM 1216 CG TYR 78 -3.916 1.092 -0.209 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.385 2.379 -0.005 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.607 3.187 -0.704 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.626 0.043 0.686 1.00001.00 C ATOM 1220 HD2 TYR 78 -4.059 -0.946 0.536 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.570 2.622 1.107 1.00001.00 C ATOM 1222 HE1 TYR 78 -2.183 3.623 1.297 1.00001.00 H ATOM 1223 CE2 TYR 78 -2.776 0.279 1.779 1.00001.00 C ATOM 1224 HE2 TYR 78 -2.523 -0.525 2.470 1.00001.00 H ATOM 1225 CZ TYR 78 -2.248 1.567 1.978 1.00001.00 C ATOM 1226 OH TYR 78 -1.380 1.807 2.975 1.00001.00 O ATOM 1227 HH TYR 78 -1.140 1.097 3.591 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.253 12.637 6.376 1.00001.00 H ATOM 1614 HB2 MET 106 -4.663 13.146 4.776 1.00001.00 H ATOM 1615 CG MET 106 -3.124 12.564 6.149 1.00001.00 C ATOM 1616 HG1 MET 106 -2.449 12.819 5.334 1.00001.00 H ATOM 1617 HG2 MET 106 -2.828 11.607 6.582 1.00001.00 H ATOM 1618 SD MET 106 -2.989 13.841 7.432 1.00001.00 S ATOM 1619 CE MET 106 -3.597 12.954 8.882 1.00001.00 C ATOM 1620 HE1 MET 106 -3.119 11.976 8.937 1.00001.00 H ATOM 1621 HE2 MET 106 -4.677 12.827 8.804 1.00001.00 H ATOM 1622 HE3 MET 106 -3.364 13.523 9.781 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.730 8.827 7.433 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.204 10.262 8.346 1.00001.00 H ATOM 1632 CG PHE 107 -8.388 8.489 9.505 1.00001.00 C ATOM 1633 CD1 PHE 107 -8.922 7.184 9.492 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.149 6.700 8.543 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.072 9.108 10.724 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.659 10.117 10.736 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.158 6.512 10.701 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.582 5.507 10.696 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.288 8.424 11.928 1.00001.00 C ATOM 1640 HE2 PHE 107 -8.019 8.895 12.874 1.00001.00 H ATOM 1641 CZ PHE 107 -8.848 7.135 11.920 1.00001.00 C ATOM 1642 HZ PHE 107 -9.041 6.620 12.861 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.638 4.781 3.803 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.682 6.549 3.609 1.00001.00 H ATOM 1652 CG PHE 108 -9.333 5.729 4.669 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.981 4.511 4.951 1.00001.00 C ATOM 1654 HD1 PHE 108 -9.423 3.576 4.905 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.058 6.932 4.713 1.00001.00 C ATOM 1656 HD2 PHE 108 -9.562 7.875 4.483 1.00001.00 H ATOM 1657 CE1 PHE 108 -11.345 4.500 5.290 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.844 3.556 5.512 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.423 6.921 5.052 1.00001.00 C ATOM 1660 HE2 PHE 108 -11.983 7.855 5.089 1.00001.00 H ATOM 1661 CZ PHE 108 -12.064 5.705 5.345 1.00001.00 C ATOM 1662 HZ PHE 108 -13.121 5.698 5.614 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -3.137 8.487 4.061 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.451 7.760 2.466 1.00001.00 H ATOM 1672 CG HIS 109 -1.440 7.634 3.122 1.00001.00 C ATOM 1673 CD2 HIS 109 -0.442 8.042 3.967 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.457 8.406 4.994 1.00001.00 H ATOM 1675 ND1 HIS 109 -0.849 7.271 1.939 1.00001.00 N ATOM 1676 CE1 HIS 109 0.470 7.478 2.064 1.00001.00 C ATOM 1677 HE1 HIS 109 1.262 7.332 1.329 1.00001.00 H ATOM 1678 NE2 HIS 109 0.767 7.926 3.288 1.00001.00 N ATOM 1679 HE2 HIS 109 1.622 8.166 3.745 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -1.420 7.447 9.478 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.987 7.835 8.729 1.00001.00 H ATOM 1689 CG LEU 110 -1.343 9.028 8.027 1.00001.00 C ATOM 1690 HG LEU 110 -1.704 9.213 7.014 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.793 10.160 8.943 1.00001.00 C ATOM 1692 1HD1 LEU 110 -1.417 11.108 8.560 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.402 9.993 9.946 1.00001.00 H ATOM 1694 3HD1 LEU 110 -2.883 10.188 8.977 1.00001.00 H ATOM 1695 CD2 LEU 110 0.186 9.029 8.004 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.565 8.791 8.997 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.545 10.014 7.704 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.539 8.282 7.292 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.784 3.620 7.830 1.00001.00 H ATOM 1707 CG1 THR 111 -6.040 2.392 9.559 1.00001.00 C ATOM 1708 1HG1 THR 111 -7.117 2.522 9.665 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.588 2.279 10.546 1.00001.00 H ATOM 1710 3HG1 THR 111 -5.838 1.502 8.964 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.756 9.507 1.00001.00 O ATOM 1712 HG2 THR 111 -6.399 5.323 8.854 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -2.995 0.883 3.865 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.180 2.616 4.220 1.00001.00 H ATOM 1722 CG LEU 112 -4.998 1.485 4.339 1.00001.00 C ATOM 1723 HG LEU 112 -5.502 2.039 5.131 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.409 2.050 2.981 1.00001.00 C ATOM 1725 1HD1 LEU 112 -4.917 1.486 2.187 1.00001.00 H ATOM 1726 2HD1 LEU 112 -5.115 3.097 2.918 1.00001.00 H ATOM 1727 3HD1 LEU 112 -6.491 1.969 2.865 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.482 0.047 4.428 1.00001.00 C ATOM 1729 1HD2 LEU 112 -5.264 -0.348 5.421 1.00001.00 H ATOM 1730 2HD2 LEU 112 -4.971 -0.555 3.678 1.00001.00 H ATOM 1731 3HD2 LEU 112 -6.556 0.014 4.252 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 0.890 4.336 7.055 1.00001.00 H ATOM 1740 HB2 ALA 113 0.884 4.368 5.276 1.00001.00 H ATOM 1741 HB3 ALA 113 2.339 3.835 6.151 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 1.946 -1.536 5.203 1.00001.00 H ATOM 1767 HB2 GLU 116 0.185 -1.649 4.973 1.00001.00 H ATOM 1768 CG GLU 116 1.317 -3.147 3.926 1.00001.00 C ATOM 1769 HG1 GLU 116 0.564 -3.934 3.957 1.00001.00 H ATOM 1770 HG2 GLU 116 2.310 -3.591 4.008 1.00001.00 H ATOM 1771 CD GLU 116 1.218 -2.434 2.569 1.00001.00 C ATOM 1772 OE1 GLU 116 2.287 -1.972 2.109 1.00001.00 O ATOM 1773 OE2 GLU 116 0.094 -2.322 2.031 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.216 -0.948 9.656 1.00001.00 H ATOM 1782 CG1 VAL 117 6.291 -1.438 9.438 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.271 -2.130 10.280 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.646 -0.465 9.776 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.959 -1.822 8.667 1.00001.00 H ATOM 1786 CG2 VAL 117 5.009 -0.228 7.769 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.032 -0.043 7.326 1.00001.00 H ATOM 1788 2HG2 VAL 117 5.696 -0.580 6.998 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.393 0.696 8.203 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 0.974 -4.572 11.865 1.00001.00 H ATOM 1798 HB2 PHE 118 2.023 -3.226 12.370 1.00001.00 H ATOM 1799 CG PHE 118 2.126 -4.949 13.613 1.00001.00 C ATOM 1800 CD1 PHE 118 1.725 -6.282 13.816 1.00001.00 C ATOM 1801 HD1 PHE 118 1.261 -6.841 13.003 1.00001.00 H ATOM 1802 CD2 PHE 118 2.692 -4.223 14.675 1.00001.00 C ATOM 1803 HD2 PHE 118 2.953 -3.174 14.535 1.00001.00 H ATOM 1804 CE1 PHE 118 1.923 -6.897 15.066 1.00001.00 C ATOM 1805 HE1 PHE 118 1.604 -7.926 15.225 1.00001.00 H ATOM 1806 CE2 PHE 118 2.919 -4.843 15.914 1.00001.00 C ATOM 1807 HE2 PHE 118 3.396 -4.290 16.723 1.00001.00 H ATOM 1808 CZ PHE 118 2.533 -6.180 16.110 1.00001.00 C ATOM 1809 HZ PHE 118 2.705 -6.662 17.072 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2437 N MET 158 -4.663 0.284 13.316 1.00001.00 N ATOM 2438 HN MET 158 -4.747 -0.693 13.513 1.00001.00 H ATOM 2439 CA MET 158 -5.762 1.164 13.737 1.00001.00 C ATOM 2440 HA MET 158 -6.166 1.666 12.858 1.00001.00 H ATOM 2441 CB MET 158 -6.900 0.336 14.348 1.00001.00 C ATOM 2442 HB1 MET 158 -7.608 1.013 14.825 1.00001.00 H ATOM 2443 HB2 MET 158 -6.481 -0.337 15.096 1.00001.00 H ATOM 2444 CG MET 158 -7.645 -0.496 13.303 1.00001.00 C ATOM 2445 HG1 MET 158 -8.242 -1.246 13.823 1.00001.00 H ATOM 2446 HG2 MET 158 -6.908 -0.992 12.670 1.00001.00 H ATOM 2447 SD MET 158 -8.745 0.470 12.243 1.00001.00 S ATOM 2448 CE MET 158 -9.092 -0.758 10.959 1.00001.00 C ATOM 2449 HE1 MET 158 -9.673 -1.576 11.388 1.00001.00 H ATOM 2450 HE2 MET 158 -8.152 -1.148 10.566 1.00001.00 H ATOM 2451 HE3 MET 158 -9.658 -0.292 10.153 1.00001.00 H ATOM 2452 C MET 158 -5.302 2.222 14.743 1.00001.00 C ATOM 2453 O MET 158 -5.781 3.352 14.689 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.280 14.527 0.014 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.856 13.369 -0.717 1.00001.00 H ATOM 2879 CG GLU 185 0.724 12.463 0.433 1.00001.00 C ATOM 2880 HG1 GLU 185 0.164 11.537 0.570 1.00001.00 H ATOM 2881 HG2 GLU 185 1.279 12.688 1.345 1.00001.00 H ATOM 2882 CD GLU 185 1.726 12.263 -0.712 1.00001.00 C ATOM 2883 OE1 GLU 185 1.359 11.555 -1.672 1.00001.00 O ATOM 2884 OE2 GLU 185 2.831 12.855 -0.661 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.169 13.005 5.892 1.00001.00 H ATOM 2893 CG1 THR 186 0.261 14.168 7.451 1.00001.00 C ATOM 2894 1HG1 THR 186 1.134 14.816 7.517 1.00001.00 H ATOM 2895 2HG1 THR 186 0.321 13.398 8.220 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.643 14.759 7.597 1.00001.00 H ATOM 2897 OG2 THR 186 -0.789 12.530 6.055 1.00001.00 O ATOM 2898 HG2 THR 186 -0.479 11.757 5.558 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 2901 N PRO 187 2.429 15.154 4.351 1.00001.00 N ATOM 2902 CA PRO 187 3.597 16.031 4.289 1.00001.00 C ATOM 2903 HA PRO 187 3.872 16.318 5.304 1.00001.00 H ATOM 2904 CB PRO 187 4.725 15.188 3.673 1.00001.00 C ATOM 2905 HB1 PRO 187 5.674 15.387 4.171 1.00001.00 H ATOM 2906 HB2 PRO 187 4.824 15.394 2.606 1.00001.00 H ATOM 2907 CG PRO 187 4.281 13.747 3.906 1.00001.00 C ATOM 2908 HG1 PRO 187 4.543 13.403 4.907 1.00001.00 H ATOM 2909 HG2 PRO 187 4.709 13.070 3.167 1.00001.00 H ATOM 2910 CD PRO 187 2.775 13.881 3.737 1.00001.00 C ATOM 2911 HD1 PRO 187 2.260 13.062 4.241 1.00001.00 H ATOM 2912 HD2 PRO 187 2.508 13.881 2.680 1.00001.00 H ATOM 2913 C PRO 187 3.337 17.302 3.474 1.00001.00 C ATOM 2914 O PRO 187 3.863 18.362 3.815 1.00001.00 O ATOM 3094 N TYR 200 3.286 14.841 16.688 1.00001.00 N ATOM 3095 HN TYR 200 3.079 15.814 16.591 1.00001.00 H ATOM 3096 CA TYR 200 2.765 13.924 15.676 1.00001.00 C ATOM 3097 HA TYR 200 2.125 13.186 16.160 1.00001.00 H ATOM 3098 CB TYR 200 1.874 14.668 14.679 1.00001.00 C ATOM 3099 HB1 TYR 200 2.456 15.463 14.210 1.00001.00 H ATOM 3100 HB2 TYR 200 1.031 15.104 15.214 1.00001.00 H ATOM 3101 CG TYR 200 1.347 13.747 13.600 1.00001.00 C ATOM 3102 CD1 TYR 200 2.113 13.495 12.444 1.00001.00 C ATOM 3103 HD1 TYR 200 3.043 14.037 12.276 1.00001.00 H ATOM 3104 CD2 TYR 200 0.142 13.055 13.811 1.00001.00 C ATOM 3105 HD2 TYR 200 -0.446 13.254 14.707 1.00001.00 H ATOM 3106 CE1 TYR 200 1.673 12.542 11.505 1.00001.00 C ATOM 3107 HE1 TYR 200 2.264 12.340 10.613 1.00001.00 H ATOM 3108 CE2 TYR 200 -0.304 12.110 12.875 1.00001.00 C ATOM 3109 HE2 TYR 200 -1.242 11.577 13.035 1.00001.00 H ATOM 3110 CZ TYR 200 0.464 11.850 11.723 1.00001.00 C ATOM 3111 OH TYR 200 0.087 10.876 10.860 1.00001.00 O ATOM 3112 HH TYR 200 0.646 10.659 10.098 1.00001.00 H ATOM 3113 C TYR 200 3.901 13.203 14.950 1.00001.00 C ATOM 3114 O TYR 200 3.882 11.983 14.851 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 8.902 9.444 14.755 1.00001.00 H ATOM 3193 HB2 TYR 205 9.821 8.963 13.308 1.00001.00 H ATOM 3194 CG TYR 205 10.473 8.063 15.118 1.00001.00 C ATOM 3195 CD1 TYR 205 10.235 7.811 16.483 1.00001.00 C ATOM 3196 HD1 TYR 205 9.246 7.989 16.908 1.00001.00 H ATOM 3197 CD2 TYR 205 11.744 7.817 14.564 1.00001.00 C ATOM 3198 HD2 TYR 205 11.922 8.012 13.507 1.00001.00 H ATOM 3199 CE1 TYR 205 11.276 7.329 17.298 1.00001.00 C ATOM 3200 HE1 TYR 205 11.100 7.153 18.359 1.00001.00 H ATOM 3201 CE2 TYR 205 12.781 7.323 15.374 1.00001.00 C ATOM 3202 HE2 TYR 205 13.765 7.130 14.947 1.00001.00 H ATOM 3203 CZ TYR 205 12.546 7.075 16.741 1.00001.00 C ATOM 3204 OH TYR 205 13.543 6.569 17.516 1.00001.00 O ATOM 3205 HH TYR 205 13.380 6.380 18.453 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3238 N CYS 208 5.847 3.638 13.373 1.00001.00 N ATOM 3239 HN CYS 208 5.851 4.637 13.419 1.00001.00 H ATOM 3240 CA CYS 208 6.485 3.035 12.214 1.00001.00 C ATOM 3241 HA CYS 208 5.748 2.440 11.674 1.00001.00 H ATOM 3242 CB CYS 208 6.961 4.119 11.242 1.00001.00 C ATOM 3243 HB1 CYS 208 7.550 3.647 10.456 1.00001.00 H ATOM 3244 HB2 CYS 208 7.586 4.827 11.789 1.00001.00 H ATOM 3245 SG CYS 208 5.595 5.029 10.473 1.00001.00 S ATOM 3246 HG CYS 208 4.603 4.180 10.176 1.00001.00 H ATOM 3247 C CYS 208 7.656 2.131 12.613 1.00001.00 C ATOM 3248 O CYS 208 7.770 1.050 12.056 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.660 -1.239 11.879 1.00001.00 H ATOM 3293 HB2 MET 211 4.340 0.131 12.790 1.00001.00 H ATOM 3294 CG MET 211 2.917 -1.048 13.889 1.00001.00 C ATOM 3295 HG1 MET 211 3.286 -0.728 14.863 1.00001.00 H ATOM 3296 HG2 MET 211 2.599 -2.089 13.946 1.00001.00 H ATOM 3297 SD MET 211 1.546 -0.039 13.416 1.00001.00 S ATOM 3298 CE MET 211 0.484 -1.168 12.485 1.00001.00 C ATOM 3299 HE1 MET 211 0.406 -2.116 13.017 1.00001.00 H ATOM 3300 HE2 MET 211 0.911 -1.339 11.498 1.00001.00 H ATOM 3301 HE3 MET 211 -0.508 -0.730 12.379 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 9.681 -1.491 9.550 1.00001.00 H ATOM 3310 HB2 LEU 212 8.959 -0.271 10.627 1.00001.00 H ATOM 3311 CG LEU 212 8.008 -0.444 8.714 1.00001.00 C ATOM 3312 HG LEU 212 7.816 -1.236 7.990 1.00001.00 H ATOM 3313 CD1 LEU 212 6.676 0.230 9.038 1.00001.00 C ATOM 3314 1HD1 LEU 212 6.671 0.541 10.083 1.00001.00 H ATOM 3315 2HD1 LEU 212 5.862 -0.474 8.866 1.00001.00 H ATOM 3316 3HD1 LEU 212 6.544 1.102 8.399 1.00001.00 H ATOM 3317 CD2 LEU 212 8.924 0.594 8.059 1.00001.00 C ATOM 3318 1HD2 LEU 212 8.547 1.595 8.268 1.00001.00 H ATOM 3319 2HD2 LEU 212 8.944 0.432 6.981 1.00001.00 H ATOM 3320 3HD2 LEU 212 9.932 0.493 8.460 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 7.330 -3.421 3.399 1.00001.00 H ATOM 4019 HB2 LEU 256 6.987 -3.483 1.653 1.00001.00 H ATOM 4020 CG LEU 256 5.618 -2.264 2.786 1.00001.00 C ATOM 4021 HG LEU 256 5.416 -1.462 2.077 1.00001.00 H ATOM 4022 CD1 LEU 256 4.603 -3.370 2.608 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.720 -3.815 1.619 1.00001.00 H ATOM 4024 2HD1 LEU 256 3.598 -2.960 2.705 1.00001.00 H ATOM 4025 3HD1 LEU 256 4.760 -4.133 3.370 1.00001.00 H ATOM 4026 CD2 LEU 256 5.475 -1.690 4.196 1.00001.00 C ATOM 4027 1HD2 LEU 256 5.762 -2.446 4.928 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.440 -1.395 4.365 1.00001.00 H ATOM 4029 3HD2 LEU 256 6.123 -0.820 4.301 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.825 -2.501 6.703 1.00001.00 H ATOM 4038 HB2 PHE 257 11.745 -3.306 5.118 1.00001.00 H ATOM 4039 CG PHE 257 10.307 -3.978 6.531 1.00001.00 C ATOM 4040 CD1 PHE 257 9.896 -3.881 7.873 1.00001.00 C ATOM 4041 HD1 PHE 257 10.204 -3.031 8.481 1.00001.00 H ATOM 4042 CD2 PHE 257 9.878 -5.066 5.750 1.00001.00 C ATOM 4043 HD2 PHE 257 10.148 -5.110 4.694 1.00001.00 H ATOM 4044 CE1 PHE 257 9.085 -4.884 8.429 1.00001.00 C ATOM 4045 HE1 PHE 257 8.730 -4.789 9.456 1.00001.00 H ATOM 4046 CE2 PHE 257 9.106 -6.089 6.318 1.00001.00 C ATOM 4047 HE2 PHE 257 8.796 -6.943 5.716 1.00001.00 H ATOM 4048 CZ PHE 257 8.732 -6.009 7.666 1.00001.00 C ATOM 4049 HZ PHE 257 8.167 -6.822 8.124 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 8.050 1.844 2.307 1.00001.00 H ATOM 4065 HB2 ALA 259 8.969 2.551 0.957 1.00001.00 H ATOM 4066 HB3 ALA 259 7.865 3.569 1.912 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 7.473 1.636 8.162 1.00001.00 H ATOM 4075 HB2 SER 260 8.727 0.731 7.279 1.00001.00 H ATOM 4076 OG SER 260 6.873 0.745 6.426 1.00001.00 O ATOM 4077 HG SER 260 7.272 0.340 5.639 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.448 2.799 6.748 1.00001.00 H ATOM 4086 HB2 PHE 261 12.781 1.530 7.802 1.00001.00 H ATOM 4087 CG PHE 261 14.151 2.852 8.758 1.00001.00 C ATOM 4088 CD1 PHE 261 15.135 3.827 8.501 1.00001.00 C ATOM 4089 HD1 PHE 261 15.133 4.364 7.551 1.00001.00 H ATOM 4090 CD2 PHE 261 14.159 2.159 9.981 1.00001.00 C ATOM 4091 HD2 PHE 261 13.399 1.404 10.183 1.00001.00 H ATOM 4092 CE1 PHE 261 16.119 4.109 9.464 1.00001.00 C ATOM 4093 HE1 PHE 261 16.876 4.866 9.263 1.00001.00 H ATOM 4094 CE2 PHE 261 15.146 2.437 10.944 1.00001.00 C ATOM 4095 HE2 PHE 261 15.152 1.896 11.891 1.00001.00 H ATOM 4096 CZ PHE 261 16.125 3.412 10.686 1.00001.00 C ATOM 4097 HZ PHE 261 16.888 3.631 11.434 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.116 6.298 3.836 1.00001.00 H ATOM 4106 HB2 TYR 262 12.763 5.624 3.883 1.00001.00 H ATOM 4107 CG TYR 262 12.669 7.721 3.558 1.00001.00 C ATOM 4108 CD1 TYR 262 11.788 8.770 3.227 1.00001.00 C ATOM 4109 HD1 TYR 262 10.722 8.671 3.428 1.00001.00 H ATOM 4110 CD2 TYR 262 14.052 7.859 3.338 1.00001.00 C ATOM 4111 HD2 TYR 262 14.734 7.058 3.624 1.00001.00 H ATOM 4112 CE1 TYR 262 12.287 9.945 2.636 1.00001.00 C ATOM 4113 HE1 TYR 262 11.612 10.760 2.376 1.00001.00 H ATOM 4114 CE2 TYR 262 14.553 9.032 2.750 1.00001.00 C ATOM 4115 HE2 TYR 262 15.624 9.149 2.578 1.00001.00 H ATOM 4116 CZ TYR 262 13.664 10.064 2.382 1.00001.00 C ATOM 4117 OH TYR 262 14.147 11.163 1.759 1.00001.00 O ATOM 4118 HH TYR 262 15.099 11.243 1.585 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.294 6.607 6.269 1.00001.00 H ATOM 4127 CG1 THR 263 6.341 8.454 5.782 1.00001.00 C ATOM 4128 1HG1 THR 263 6.049 8.578 6.825 1.00001.00 H ATOM 4129 2HG1 THR 263 5.504 8.042 5.217 1.00001.00 H ATOM 4130 3HG1 THR 263 6.619 9.422 5.365 1.00001.00 H ATOM 4131 OG2 THR 263 7.678 7.200 4.329 1.00001.00 O ATOM 4132 HG2 THR 263 7.954 6.275 4.232 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.963 6.667 11.324 1.00001.00 H ATOM 4141 HB2 TYR 264 8.237 5.805 9.791 1.00001.00 H ATOM 4142 CG TYR 264 6.471 6.994 9.840 1.00001.00 C ATOM 4143 CD1 TYR 264 5.617 7.678 10.725 1.00001.00 C ATOM 4144 HD1 TYR 264 5.993 8.022 11.689 1.00001.00 H ATOM 4145 CD2 TYR 264 5.982 6.555 8.593 1.00001.00 C ATOM 4146 HD2 TYR 264 6.644 6.019 7.913 1.00001.00 H ATOM 4147 CE1 TYR 264 4.277 7.920 10.365 1.00001.00 C ATOM 4148 HE1 TYR 264 3.618 8.444 11.057 1.00001.00 H ATOM 4149 CE2 TYR 264 4.645 6.805 8.225 1.00001.00 C ATOM 4150 HE2 TYR 264 4.270 6.474 7.255 1.00001.00 H ATOM 4151 CZ TYR 264 3.788 7.488 9.116 1.00001.00 C ATOM 4152 OH TYR 264 2.492 7.739 8.798 1.00001.00 O ATOM 4153 HH TYR 264 2.136 7.450 7.943 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4156 N MET 265 11.461 7.544 10.081 1.00001.00 N ATOM 4157 HN MET 265 11.496 7.073 9.199 1.00001.00 H ATOM 4158 CA MET 265 12.660 7.470 10.929 1.00001.00 C ATOM 4159 HA MET 265 12.395 7.789 11.936 1.00001.00 H ATOM 4160 CB MET 265 13.142 6.017 11.067 1.00001.00 C ATOM 4161 HB1 MET 265 14.005 5.997 11.732 1.00001.00 H ATOM 4162 HB2 MET 265 13.435 5.652 10.082 1.00001.00 H ATOM 4163 CG MET 265 12.068 5.091 11.632 1.00001.00 C ATOM 4164 HG1 MET 265 12.415 4.062 11.547 1.00001.00 H ATOM 4165 HG2 MET 265 11.156 5.216 11.047 1.00001.00 H ATOM 4166 SD MET 265 11.691 5.432 13.368 1.00001.00 S ATOM 4167 CE MET 265 10.734 3.956 13.755 1.00001.00 C ATOM 4168 HE1 MET 265 9.794 3.978 13.203 1.00001.00 H ATOM 4169 HE2 MET 265 10.526 3.929 14.825 1.00001.00 H ATOM 4170 HE3 MET 265 11.302 3.071 13.473 1.00001.00 H ATOM 4171 C MET 265 13.798 8.349 10.424 1.00001.00 C ATOM 4172 O MET 265 14.578 8.865 11.231 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 6.059 2.181 -3.565 1.00001.00 H ATOM 4441 HB2 TYR 283 4.592 1.805 -2.629 1.00001.00 H ATOM 4442 CG TYR 283 4.957 3.869 -2.925 1.00001.00 C ATOM 4443 CD1 TYR 283 5.939 4.809 -3.291 1.00001.00 C ATOM 4444 HD1 TYR 283 6.744 4.511 -3.963 1.00001.00 H ATOM 4445 CD2 TYR 283 3.943 4.235 -2.028 1.00001.00 C ATOM 4446 HD2 TYR 283 3.221 3.497 -1.682 1.00001.00 H ATOM 4447 CE1 TYR 283 5.887 6.127 -2.793 1.00001.00 C ATOM 4448 HE1 TYR 283 6.683 6.834 -3.023 1.00001.00 H ATOM 4449 CE2 TYR 283 3.863 5.558 -1.577 1.00001.00 C ATOM 4450 HE2 TYR 283 3.059 5.833 -0.892 1.00001.00 H ATOM 4451 CZ TYR 283 4.797 6.529 -1.993 1.00001.00 C ATOM 4452 OH TYR 283 4.635 7.825 -1.615 1.00001.00 O ATOM 4453 HH TYR 283 5.277 8.495 -1.897 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O TER END Pose: 2 Node: 0 # Binding energies BENERG: Tyr78: -0.510361 Met106: -0.754693 Phe107: -0.0237771 Phe108: -0.0898461 His109: -0.453889 Leu110: -0.528004 Thr111: -0.105426 Leu112: -0.144522 Ala113: 0.563888 Glu116: -0.868104 Val117: -0.396912 Phe118: -0.00335754 Glu185: -0.293315 Thr186: -0.420223 Tyr205: -0.00585833 Met211: -0.0672819 Leu212: -0.492348 Leu255: 0.588457 Leu256: -0.864918 Phe257: -0.195264 Ala259: 1.58025 Ser260: 1.74474 Phe261: -0.254365 Tyr262: -0.594362 Thr263: 0.741332 Tyr264: -0.583947 Met265: -0.083798 Tyr283: 0.200955 Total ionic: -0 Total H-bond: -0.178998 Total pi stack: -0.215442 Total polar-pi and cation-pi: -0.0442332 Total metal coordination: -0 Total van der Waals: -9.68058 Total: -2.31495 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 81.7239 Proximity: 0.706046 Protein clashes: -38.1074 # van der Waals repulsion vdWRPL: Tyr78: 0.0386588 His109: 0.785112 Leu110: 0.691999 Ala113: 2.00721 Val117: 0.0666964 Thr186: 0.0827773 Leu212: 0.0356538 Leu256: 0.36178 Ala259: 2.04602 Ser260: 2.9482 Thr263: 1.31191 Tyr264: 5.44878 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 5.910 4.490 1.904 1.00001.00 O HETATM 9001 C2 LIG 0 5.752 3.415 4.091 1.00001.00 C HETATM 9002 C3 LIG 0 4.389 3.182 4.791 1.00001.00 C HETATM 9003 C4 LIG 0 3.355 4.268 4.600 1.00001.00 C HETATM 9004 C5 LIG 0 6.487 4.647 4.638 1.00001.00 C HETATM 9005 C6 LIG 0 6.637 2.175 4.311 1.00001.00 C HETATM 9006 C7 LIG 0 5.542 3.537 2.585 1.00001.00 C HETATM 9007 C8 LIG 0 2.488 4.197 3.523 1.00001.00 C HETATM 9008 C9 LIG 0 3.296 5.313 5.508 1.00001.00 C HETATM 9009 C10 LIG 0 1.461 6.258 4.251 1.00001.00 C HETATM 9010 C11 LIG 0 1.534 5.199 3.347 1.00001.00 C HETATM 9011 C12 LIG 0 2.341 6.315 5.332 1.00001.00 C HETATM 9012 C13 LIG 0 0.440 7.329 4.064 1.00001.00 C HETATM 9013 C14 LIG 0 0.917 8.683 4.583 1.00001.00 C HETATM 9014 H15 LIG 0 4.550 3.034 5.868 1.00001.00 H HETATM 9015 H16 LIG 0 3.953 2.235 4.441 1.00001.00 H HETATM 9016 H17 LIG 0 7.489 4.734 4.202 1.00001.00 H HETATM 9017 H18 LIG 0 6.602 4.590 5.726 1.00001.00 H HETATM 9018 H19 LIG 0 5.960 5.576 4.398 1.00001.00 H HETATM 9019 H20 LIG 0 6.158 1.268 3.922 1.00001.00 H HETATM 9020 H21 LIG 0 7.598 2.277 3.794 1.00001.00 H HETATM 9021 H22 LIG 0 6.841 2.017 5.376 1.00001.00 H HETATM 9022 H23 LIG 0 5.028 2.683 2.107 1.00001.00 H HETATM 9023 H24 LIG 0 2.533 3.375 2.814 1.00001.00 H HETATM 9024 H25 LIG 0 3.975 5.366 6.353 1.00001.00 H HETATM 9025 H26 LIG 0 0.855 5.143 2.501 1.00001.00 H HETATM 9026 H27 LIG 0 2.295 7.136 6.043 1.00001.00 H HETATM 9027 H28 LIG 0 0.181 7.418 3.001 1.00001.00 H HETATM 9028 H29 LIG 0 -0.491 7.052 4.573 1.00001.00 H HETATM 9029 H30 LIG 0 0.076 9.366 4.740 1.00001.00 H HETATM 9030 H31 LIG 0 1.599 9.145 3.862 1.00001.00 H HETATM 9031 H32 LIG 0 1.449 8.578 5.535 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.151 0.985 -2.344 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.042 -0.215 -1.376 1.00001.00 H ATOM 1216 CG TYR 78 -3.875 1.147 -0.250 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.026 2.269 -0.305 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.030 2.924 -1.177 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.868 0.293 0.869 1.00001.00 C ATOM 1220 HD2 TYR 78 -4.545 -0.561 0.916 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.174 2.542 0.772 1.00001.00 C ATOM 1222 HE1 TYR 78 -1.539 3.428 0.758 1.00001.00 H ATOM 1223 CE2 TYR 78 -2.985 0.547 1.931 1.00001.00 C ATOM 1224 HE2 TYR 78 -2.951 -0.115 2.796 1.00001.00 H ATOM 1225 CZ TYR 78 -2.138 1.669 1.871 1.00001.00 C ATOM 1226 OH TYR 78 -1.237 1.901 2.840 1.00001.00 O ATOM 1227 HH TYR 78 -1.191 1.313 3.611 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.325 12.686 6.289 1.00001.00 H ATOM 1614 HB2 MET 106 -4.542 13.130 4.753 1.00001.00 H ATOM 1615 CG MET 106 -3.189 12.518 6.298 1.00001.00 C ATOM 1616 HG1 MET 106 -2.400 12.313 5.576 1.00001.00 H ATOM 1617 HG2 MET 106 -3.164 11.768 7.089 1.00001.00 H ATOM 1618 SD MET 106 -2.884 14.147 7.039 1.00001.00 S ATOM 1619 CE MET 106 -2.477 13.692 8.739 1.00001.00 C ATOM 1620 HE1 MET 106 -2.098 14.567 9.268 1.00001.00 H ATOM 1621 HE2 MET 106 -1.716 12.913 8.734 1.00001.00 H ATOM 1622 HE3 MET 106 -3.371 13.324 9.241 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.730 8.803 7.445 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.212 10.264 8.320 1.00001.00 H ATOM 1632 CG PHE 107 -8.377 8.519 9.523 1.00001.00 C ATOM 1633 CD1 PHE 107 -8.868 7.198 9.546 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.072 6.677 8.612 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.092 9.185 10.725 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.712 10.206 10.710 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.094 6.556 10.774 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.485 5.538 10.797 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.297 8.532 11.948 1.00001.00 C ATOM 1640 HE2 PHE 107 -8.052 9.040 12.881 1.00001.00 H ATOM 1641 CZ PHE 107 -8.815 7.226 11.976 1.00001.00 C ATOM 1642 HZ PHE 107 -9.000 6.734 12.931 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.298 5.923 3.390 1.00001.00 H ATOM 1651 HB2 PHE 108 -8.667 6.456 4.392 1.00001.00 H ATOM 1652 CG PHE 108 -8.486 4.347 4.183 1.00001.00 C ATOM 1653 CD1 PHE 108 -7.810 3.340 3.469 1.00001.00 C ATOM 1654 HD1 PHE 108 -6.846 3.554 3.009 1.00001.00 H ATOM 1655 CD2 PHE 108 -9.737 4.074 4.763 1.00001.00 C ATOM 1656 HD2 PHE 108 -10.267 4.857 5.305 1.00001.00 H ATOM 1657 CE1 PHE 108 -8.378 2.059 3.349 1.00001.00 C ATOM 1658 HE1 PHE 108 -7.851 1.279 2.800 1.00001.00 H ATOM 1659 CE2 PHE 108 -10.304 2.794 4.643 1.00001.00 C ATOM 1660 HE2 PHE 108 -11.273 2.582 5.096 1.00001.00 H ATOM 1661 CZ PHE 108 -9.622 1.786 3.940 1.00001.00 C ATOM 1662 HZ PHE 108 -10.061 0.791 3.852 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -1.842 7.559 3.226 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.106 8.482 4.075 1.00001.00 H ATOM 1672 CG HIS 109 -3.602 7.902 2.099 1.00001.00 C ATOM 1673 CD2 HIS 109 -3.299 7.335 0.889 1.00001.00 C ATOM 1674 HD2 HIS 109 -2.569 6.580 0.598 1.00001.00 H ATOM 1675 ND1 HIS 109 -4.616 8.801 1.884 1.00001.00 N ATOM 1676 CE1 HIS 109 -4.898 8.789 0.573 1.00001.00 C ATOM 1677 HE1 HIS 109 -5.624 9.385 0.020 1.00001.00 H ATOM 1678 NE2 HIS 109 -4.137 7.897 -0.069 1.00001.00 N ATOM 1679 HE2 HIS 109 -4.077 7.600 -1.022 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -1.488 7.416 9.503 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.988 7.885 8.669 1.00001.00 H ATOM 1689 CG LEU 110 -1.251 9.002 8.074 1.00001.00 C ATOM 1690 HG LEU 110 -1.509 9.190 7.031 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.744 10.157 8.938 1.00001.00 C ATOM 1692 1HD1 LEU 110 -1.283 11.086 8.599 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.474 9.976 9.977 1.00001.00 H ATOM 1694 3HD1 LEU 110 -2.828 10.238 8.851 1.00001.00 H ATOM 1695 CD2 LEU 110 0.273 8.950 8.195 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.550 8.795 9.237 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.698 9.890 7.842 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.657 8.128 7.591 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.785 3.643 7.831 1.00001.00 H ATOM 1707 CG1 THR 111 -6.039 2.377 9.533 1.00001.00 C ATOM 1708 1HG1 THR 111 -7.124 2.474 9.579 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.640 2.282 10.543 1.00001.00 H ATOM 1710 3HG1 THR 111 -5.778 1.491 8.955 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.742 9.532 1.00001.00 O ATOM 1712 HG2 THR 111 -5.967 5.499 8.925 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.005 0.874 3.867 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.168 2.611 4.215 1.00001.00 H ATOM 1722 CG LEU 112 -4.999 1.503 4.342 1.00001.00 C ATOM 1723 HG LEU 112 -5.495 2.074 5.128 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.405 2.056 2.978 1.00001.00 C ATOM 1725 1HD1 LEU 112 -5.262 3.137 2.965 1.00001.00 H ATOM 1726 2HD1 LEU 112 -6.454 1.827 2.790 1.00001.00 H ATOM 1727 3HD1 LEU 112 -4.789 1.600 2.202 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.503 0.073 4.451 1.00001.00 C ATOM 1729 1HD2 LEU 112 -5.299 -0.308 5.453 1.00001.00 H ATOM 1730 2HD2 LEU 112 -4.992 -0.548 3.715 1.00001.00 H ATOM 1731 3HD2 LEU 112 -6.575 0.050 4.265 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 0.613 4.439 6.804 1.00001.00 H ATOM 1740 HB2 ALA 113 1.228 4.248 5.146 1.00001.00 H ATOM 1741 HB3 ALA 113 2.271 3.853 6.533 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 1.800 -1.397 5.274 1.00001.00 H ATOM 1767 HB2 GLU 116 0.121 -1.822 4.863 1.00001.00 H ATOM 1768 CG GLU 116 1.605 -3.102 3.979 1.00001.00 C ATOM 1769 HG1 GLU 116 0.896 -3.916 3.833 1.00001.00 H ATOM 1770 HG2 GLU 116 2.575 -3.512 4.260 1.00001.00 H ATOM 1771 CD GLU 116 1.764 -2.352 2.648 1.00001.00 C ATOM 1772 OE1 GLU 116 2.645 -1.462 2.618 1.00001.00 O ATOM 1773 OE2 GLU 116 0.996 -2.638 1.703 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.186 -0.918 9.615 1.00001.00 H ATOM 1782 CG1 VAL 117 6.258 -1.455 9.509 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.180 -2.119 10.370 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.622 -0.481 9.834 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.952 -1.879 8.783 1.00001.00 H ATOM 1786 CG2 VAL 117 5.085 -0.253 7.756 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.135 -0.062 7.258 1.00001.00 H ATOM 1788 2HG2 VAL 117 5.805 -0.633 7.030 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.462 0.673 8.190 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 0.976 -4.591 11.874 1.00001.00 H ATOM 1798 HB2 PHE 118 2.009 -3.223 12.354 1.00001.00 H ATOM 1799 CG PHE 118 2.143 -4.927 13.621 1.00001.00 C ATOM 1800 CD1 PHE 118 1.531 -6.157 13.924 1.00001.00 C ATOM 1801 HD1 PHE 118 0.895 -6.645 13.186 1.00001.00 H ATOM 1802 CD2 PHE 118 2.933 -4.286 14.590 1.00001.00 C ATOM 1803 HD2 PHE 118 3.364 -3.307 14.376 1.00001.00 H ATOM 1804 CE1 PHE 118 1.739 -6.759 15.178 1.00001.00 C ATOM 1805 HE1 PHE 118 1.257 -7.707 15.416 1.00001.00 H ATOM 1806 CE2 PHE 118 3.168 -4.899 15.831 1.00001.00 C ATOM 1807 HE2 PHE 118 3.815 -4.419 16.565 1.00001.00 H ATOM 1808 CZ PHE 118 2.569 -6.135 16.125 1.00001.00 C ATOM 1809 HZ PHE 118 2.747 -6.612 17.090 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.294 14.521 0.026 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.857 13.388 -0.721 1.00001.00 H ATOM 2879 CG GLU 185 0.706 12.445 0.422 1.00001.00 C ATOM 2880 HG1 GLU 185 0.131 11.532 0.578 1.00001.00 H ATOM 2881 HG2 GLU 185 1.285 12.667 1.319 1.00001.00 H ATOM 2882 CD GLU 185 1.679 12.216 -0.743 1.00001.00 C ATOM 2883 OE1 GLU 185 1.284 11.494 -1.681 1.00001.00 O ATOM 2884 OE2 GLU 185 2.791 12.799 -0.728 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.155 12.986 5.876 1.00001.00 H ATOM 2893 CG1 THR 186 0.300 14.172 7.447 1.00001.00 C ATOM 2894 1HG1 THR 186 1.187 14.803 7.493 1.00001.00 H ATOM 2895 2HG1 THR 186 0.359 13.405 8.218 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.589 14.782 7.608 1.00001.00 H ATOM 2897 OG2 THR 186 -0.809 12.550 6.078 1.00001.00 O ATOM 2898 HG2 THR 186 -0.538 11.784 5.548 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 9.011 9.223 15.061 1.00001.00 H ATOM 3193 HB2 TYR 205 9.546 9.237 13.363 1.00001.00 H ATOM 3194 CG TYR 205 10.691 7.993 14.647 1.00001.00 C ATOM 3195 CD1 TYR 205 11.060 7.938 16.005 1.00001.00 C ATOM 3196 HD1 TYR 205 10.386 8.321 16.771 1.00001.00 H ATOM 3197 CD2 TYR 205 11.553 7.481 13.659 1.00001.00 C ATOM 3198 HD2 TYR 205 11.261 7.525 12.610 1.00001.00 H ATOM 3199 CE1 TYR 205 12.302 7.386 16.371 1.00001.00 C ATOM 3200 HE1 TYR 205 12.599 7.361 17.420 1.00001.00 H ATOM 3201 CE2 TYR 205 12.788 6.918 14.024 1.00001.00 C ATOM 3202 HE2 TYR 205 13.456 6.520 13.259 1.00001.00 H ATOM 3203 CZ TYR 205 13.161 6.867 15.381 1.00001.00 C ATOM 3204 OH TYR 205 14.343 6.294 15.734 1.00001.00 O ATOM 3205 HH TYR 205 14.596 6.241 16.669 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3238 N CYS 208 5.847 3.638 13.373 1.00001.00 N ATOM 3239 HN CYS 208 5.851 4.637 13.419 1.00001.00 H ATOM 3240 CA CYS 208 6.485 3.035 12.214 1.00001.00 C ATOM 3241 HA CYS 208 5.748 2.440 11.674 1.00001.00 H ATOM 3242 CB CYS 208 6.961 4.119 11.242 1.00001.00 C ATOM 3243 HB1 CYS 208 7.936 4.478 11.572 1.00001.00 H ATOM 3244 HB2 CYS 208 6.245 4.942 11.261 1.00001.00 H ATOM 3245 SG CYS 208 7.111 3.524 9.537 1.00001.00 S ATOM 3246 HG CYS 208 8.404 3.332 9.242 1.00001.00 H ATOM 3247 C CYS 208 7.656 2.131 12.613 1.00001.00 C ATOM 3248 O CYS 208 7.770 1.050 12.056 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 4.304 -0.322 11.979 1.00001.00 H ATOM 3293 HB2 MET 211 3.740 -0.239 13.665 1.00001.00 H ATOM 3294 CG MET 211 2.855 -1.821 12.509 1.00001.00 C ATOM 3295 HG1 MET 211 2.569 -2.397 13.389 1.00001.00 H ATOM 3296 HG2 MET 211 3.148 -2.503 11.710 1.00001.00 H ATOM 3297 SD MET 211 1.487 -0.840 11.975 1.00001.00 S ATOM 3298 CE MET 211 1.931 -0.368 10.286 1.00001.00 C ATOM 3299 HE1 MET 211 2.972 -0.045 10.261 1.00001.00 H ATOM 3300 HE2 MET 211 1.289 0.447 9.955 1.00001.00 H ATOM 3301 HE3 MET 211 1.801 -1.223 9.624 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 9.769 -1.060 10.287 1.00001.00 H ATOM 3310 HB2 LEU 212 8.268 -0.115 10.144 1.00001.00 H ATOM 3311 CG LEU 212 8.799 -1.213 8.382 1.00001.00 C ATOM 3312 HG LEU 212 9.146 -2.221 8.153 1.00001.00 H ATOM 3313 CD1 LEU 212 7.474 -0.994 7.653 1.00001.00 C ATOM 3314 1HD1 LEU 212 6.743 -1.723 8.003 1.00001.00 H ATOM 3315 2HD1 LEU 212 7.625 -1.119 6.581 1.00001.00 H ATOM 3316 3HD1 LEU 212 7.110 0.012 7.855 1.00001.00 H ATOM 3317 CD2 LEU 212 9.821 -0.216 7.829 1.00001.00 C ATOM 3318 1HD2 LEU 212 9.729 -0.165 6.744 1.00001.00 H ATOM 3319 2HD2 LEU 212 10.827 -0.543 8.092 1.00001.00 H ATOM 3320 3HD2 LEU 212 9.637 0.769 8.257 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 3994 N LEU 255 11.412 -3.050 -0.036 1.00001.00 N ATOM 3995 HN LEU 255 11.227 -3.921 -0.489 1.00001.00 H ATOM 3996 CA LEU 255 10.678 -1.878 -0.509 1.00001.00 C ATOM 3997 HA LEU 255 11.392 -1.111 -0.811 1.00001.00 H ATOM 3998 CB LEU 255 9.881 -2.249 -1.771 1.00001.00 C ATOM 3999 HB1 LEU 255 9.190 -1.434 -1.987 1.00001.00 H ATOM 4000 HB2 LEU 255 9.316 -3.157 -1.559 1.00001.00 H ATOM 4001 CG LEU 255 10.736 -2.500 -3.028 1.00001.00 C ATOM 4002 HG LEU 255 11.445 -3.303 -2.830 1.00001.00 H ATOM 4003 CD1 LEU 255 9.828 -2.896 -4.194 1.00001.00 C ATOM 4004 1HD1 LEU 255 9.298 -3.816 -3.945 1.00001.00 H ATOM 4005 2HD1 LEU 255 10.433 -3.057 -5.087 1.00001.00 H ATOM 4006 3HD1 LEU 255 9.108 -2.101 -4.382 1.00001.00 H ATOM 4007 CD2 LEU 255 11.604 -1.305 -3.432 1.00001.00 C ATOM 4008 1HD2 LEU 255 12.610 -1.435 -3.033 1.00001.00 H ATOM 4009 2HD2 LEU 255 11.170 -0.388 -3.033 1.00001.00 H ATOM 4010 3HD2 LEU 255 11.650 -1.240 -4.520 1.00001.00 H ATOM 4011 C LEU 255 9.769 -1.308 0.586 1.00001.00 C ATOM 4012 O LEU 255 9.814 -0.107 0.845 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 7.412 -3.521 3.286 1.00001.00 H ATOM 4019 HB2 LEU 256 6.862 -3.379 1.598 1.00001.00 H ATOM 4020 CG LEU 256 5.678 -2.269 3.016 1.00001.00 C ATOM 4021 HG LEU 256 5.493 -1.307 2.539 1.00001.00 H ATOM 4022 CD1 LEU 256 4.580 -3.240 2.647 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.564 -3.377 1.565 1.00001.00 H ATOM 4024 2HD1 LEU 256 3.619 -2.845 2.977 1.00001.00 H ATOM 4025 3HD1 LEU 256 4.764 -4.199 3.131 1.00001.00 H ATOM 4026 CD2 LEU 256 5.654 -2.054 4.530 1.00001.00 C ATOM 4027 1HD2 LEU 256 6.068 -2.931 5.029 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.626 -1.900 4.859 1.00001.00 H ATOM 4029 3HD2 LEU 256 6.250 -1.177 4.782 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.922 -2.484 6.597 1.00001.00 H ATOM 4038 HB2 PHE 257 11.633 -3.394 5.096 1.00001.00 H ATOM 4039 CG PHE 257 10.327 -3.884 6.699 1.00001.00 C ATOM 4040 CD1 PHE 257 10.742 -4.291 7.980 1.00001.00 C ATOM 4041 HD1 PHE 257 11.665 -3.901 8.408 1.00001.00 H ATOM 4042 CD2 PHE 257 9.119 -4.374 6.172 1.00001.00 C ATOM 4043 HD2 PHE 257 8.769 -4.014 5.204 1.00001.00 H ATOM 4044 CE1 PHE 257 9.962 -5.203 8.710 1.00001.00 C ATOM 4045 HE1 PHE 257 10.259 -5.486 9.720 1.00001.00 H ATOM 4046 CE2 PHE 257 8.364 -5.319 6.882 1.00001.00 C ATOM 4047 HE2 PHE 257 7.441 -5.715 6.460 1.00001.00 H ATOM 4048 CZ PHE 257 8.802 -5.752 8.141 1.00001.00 C ATOM 4049 HZ PHE 257 8.241 -6.516 8.679 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 7.907 3.598 1.852 1.00001.00 H ATOM 4065 HB2 ALA 259 8.001 1.892 2.349 1.00001.00 H ATOM 4066 HB3 ALA 259 8.975 2.474 0.977 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 7.676 1.598 8.229 1.00001.00 H ATOM 4075 HB2 SER 260 8.663 0.654 7.087 1.00001.00 H ATOM 4076 OG SER 260 6.699 0.888 6.583 1.00001.00 O ATOM 4077 HG SER 260 6.920 0.469 5.736 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.937 3.213 7.881 1.00001.00 H ATOM 4086 HB2 PHE 261 13.040 2.206 6.721 1.00001.00 H ATOM 4087 CG PHE 261 13.157 1.403 8.691 1.00001.00 C ATOM 4088 CD1 PHE 261 13.882 1.517 9.893 1.00001.00 C ATOM 4089 HD1 PHE 261 14.406 2.445 10.127 1.00001.00 H ATOM 4090 CD2 PHE 261 12.487 0.205 8.391 1.00001.00 C ATOM 4091 HD2 PHE 261 11.924 0.114 7.461 1.00001.00 H ATOM 4092 CE1 PHE 261 13.933 0.439 10.793 1.00001.00 C ATOM 4093 HE1 PHE 261 14.491 0.531 11.723 1.00001.00 H ATOM 4094 CE2 PHE 261 12.539 -0.877 9.288 1.00001.00 C ATOM 4095 HE2 PHE 261 12.021 -1.807 9.052 1.00001.00 H ATOM 4096 CZ PHE 261 13.261 -0.761 10.489 1.00001.00 C ATOM 4097 HZ PHE 261 13.299 -1.598 11.186 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.114 6.315 3.835 1.00001.00 H ATOM 4106 HB2 TYR 262 12.749 5.613 3.883 1.00001.00 H ATOM 4107 CG TYR 262 12.690 7.712 3.559 1.00001.00 C ATOM 4108 CD1 TYR 262 11.829 8.781 3.238 1.00001.00 C ATOM 4109 HD1 TYR 262 10.762 8.703 3.447 1.00001.00 H ATOM 4110 CD2 TYR 262 14.074 7.822 3.329 1.00001.00 C ATOM 4111 HD2 TYR 262 14.741 7.006 3.606 1.00001.00 H ATOM 4112 CE1 TYR 262 12.348 9.948 2.648 1.00001.00 C ATOM 4113 HE1 TYR 262 11.688 10.777 2.396 1.00001.00 H ATOM 4114 CE2 TYR 262 14.595 8.987 2.741 1.00001.00 C ATOM 4115 HE2 TYR 262 15.667 9.081 2.561 1.00001.00 H ATOM 4116 CZ TYR 262 13.726 10.038 2.383 1.00001.00 C ATOM 4117 OH TYR 262 14.227 11.129 1.762 1.00001.00 O ATOM 4118 HH TYR 262 15.178 11.190 1.580 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.240 6.668 6.333 1.00001.00 H ATOM 4127 CG1 THR 263 6.375 8.497 5.654 1.00001.00 C ATOM 4128 1HG1 THR 263 6.093 8.771 6.671 1.00001.00 H ATOM 4129 2HG1 THR 263 5.521 8.041 5.151 1.00001.00 H ATOM 4130 3HG1 THR 263 6.683 9.390 5.109 1.00001.00 H ATOM 4131 OG2 THR 263 7.717 7.079 4.367 1.00001.00 O ATOM 4132 HG2 THR 263 8.034 6.162 4.363 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.894 6.729 11.327 1.00001.00 H ATOM 4141 HB2 TYR 264 8.289 5.791 9.868 1.00001.00 H ATOM 4142 CG TYR 264 6.494 6.930 9.734 1.00001.00 C ATOM 4143 CD1 TYR 264 5.522 7.476 10.592 1.00001.00 C ATOM 4144 HD1 TYR 264 5.789 7.759 11.610 1.00001.00 H ATOM 4145 CD2 TYR 264 6.145 6.570 8.417 1.00001.00 C ATOM 4146 HD2 TYR 264 6.899 6.141 7.757 1.00001.00 H ATOM 4147 CE1 TYR 264 4.202 7.658 10.135 1.00001.00 C ATOM 4148 HE1 TYR 264 3.450 8.075 10.806 1.00001.00 H ATOM 4149 CE2 TYR 264 4.828 6.761 7.953 1.00001.00 C ATOM 4150 HE2 TYR 264 4.562 6.491 6.930 1.00001.00 H ATOM 4151 CZ TYR 264 3.852 7.304 8.817 1.00001.00 C ATOM 4152 OH TYR 264 2.571 7.495 8.405 1.00001.00 O ATOM 4153 HH TYR 264 2.310 7.258 7.502 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4156 N MET 265 11.461 7.544 10.081 1.00001.00 N ATOM 4157 HN MET 265 11.496 7.073 9.199 1.00001.00 H ATOM 4158 CA MET 265 12.660 7.470 10.929 1.00001.00 C ATOM 4159 HA MET 265 12.395 7.789 11.936 1.00001.00 H ATOM 4160 CB MET 265 13.142 6.017 11.067 1.00001.00 C ATOM 4161 HB1 MET 265 14.063 6.008 11.649 1.00001.00 H ATOM 4162 HB2 MET 265 13.339 5.619 10.071 1.00001.00 H ATOM 4163 CG MET 265 12.118 5.120 11.758 1.00001.00 C ATOM 4164 HG1 MET 265 11.575 5.714 12.492 1.00001.00 H ATOM 4165 HG2 MET 265 12.647 4.312 12.264 1.00001.00 H ATOM 4166 SD MET 265 10.927 4.398 10.604 1.00001.00 S ATOM 4167 CE MET 265 10.178 3.168 11.687 1.00001.00 C ATOM 4168 HE1 MET 265 10.958 2.535 12.109 1.00001.00 H ATOM 4169 HE2 MET 265 9.484 2.556 11.113 1.00001.00 H ATOM 4170 HE3 MET 265 9.642 3.671 12.490 1.00001.00 H ATOM 4171 C MET 265 13.798 8.349 10.424 1.00001.00 C ATOM 4172 O MET 265 14.578 8.865 11.231 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 6.048 2.130 -3.547 1.00001.00 H ATOM 4441 HB2 TYR 283 4.557 1.845 -2.617 1.00001.00 H ATOM 4442 CG TYR 283 5.017 3.882 -2.962 1.00001.00 C ATOM 4443 CD1 TYR 283 6.166 4.687 -3.085 1.00001.00 C ATOM 4444 HD1 TYR 283 7.066 4.273 -3.539 1.00001.00 H ATOM 4445 CD2 TYR 283 3.869 4.397 -2.342 1.00001.00 C ATOM 4446 HD2 TYR 283 3.000 3.761 -2.177 1.00001.00 H ATOM 4447 CE1 TYR 283 6.157 6.019 -2.623 1.00001.00 C ATOM 4448 HE1 TYR 283 7.065 6.620 -2.658 1.00001.00 H ATOM 4449 CE2 TYR 283 3.845 5.736 -1.933 1.00001.00 C ATOM 4450 HE2 TYR 283 2.940 6.127 -1.466 1.00001.00 H ATOM 4451 CZ TYR 283 4.964 6.575 -2.116 1.00001.00 C ATOM 4452 OH TYR 283 4.875 7.893 -1.797 1.00001.00 O ATOM 4453 HH TYR 283 5.643 8.473 -1.919 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O TER END Pose: 3 Node: 0 # Binding energies BENERG: Tyr78: -0.318258 Met106: -0.746663 Phe107: -0.0367023 Phe108: -0.124658 His109: 0.755089 Leu110: 0.144137 Thr111: -0.0874729 Leu112: -0.0144819 Ala113: 1.78683 Gly114: 0.433307 Glu116: -0.502401 Val117: -0.550563 Phe118: -0.0538562 Glu185: -0.483682 Thr186: -0.549218 Tyr205: -0.00313962 Met211: -0.044381 Leu212: -0.846745 Leu256: -0.466605 Phe257: 0.31851 Ala259: -0.634868 Ser260: 3.7034 Phe261: 0.380188 Tyr262: -0.144606 Thr263: -1.32288 Tyr264: -0.101144 Tyr283: -0.165211 Total ionic: -0 Total H-bond: -0.279413 Total pi stack: -0.108854 Total polar-pi and cation-pi: -0.384987 Total metal coordination: -0 Total van der Waals: -10.684 Total: 0.32392 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 88.3802 Proximity: 0.917954 Protein clashes: -46.4681 # van der Waals repulsion vdWRPL: Tyr78: 1.0988 Met106: 0.00493593 His109: 2.52498 Leu110: 0.67474 Leu112: 0.0019026 Ala113: 2.66369 Gly114: 0.00622293 Glu116: 0.0308756 Val117: 0.553977 Thr186: 0.0519642 Leu212: 0.0469378 Leu256: 0.811603 Ala259: 0.463128 Ser260: 1.55281 Thr263: 0.221002 Tyr264: 1.76663 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 4.679 4.071 6.613 1.00001.00 O HETATM 9001 C2 LIG 0 4.565 2.705 4.592 1.00001.00 C HETATM 9002 C3 LIG 0 4.135 3.300 3.227 1.00001.00 C HETATM 9003 C4 LIG 0 3.054 4.355 3.278 1.00001.00 C HETATM 9004 C5 LIG 0 3.423 1.951 5.287 1.00001.00 C HETATM 9005 C6 LIG 0 5.731 1.728 4.358 1.00001.00 C HETATM 9006 C7 LIG 0 5.103 3.816 5.490 1.00001.00 C HETATM 9007 C8 LIG 0 3.395 5.660 3.592 1.00001.00 C HETATM 9008 C9 LIG 0 1.744 3.996 3.008 1.00001.00 C HETATM 9009 C10 LIG 0 1.073 6.289 3.371 1.00001.00 C HETATM 9010 C11 LIG 0 2.398 6.634 3.639 1.00001.00 C HETATM 9011 C12 LIG 0 0.746 4.970 3.055 1.00001.00 C HETATM 9012 C13 LIG 0 0.007 7.330 3.420 1.00001.00 C HETATM 9013 C14 LIG 0 0.217 8.323 4.560 1.00001.00 C HETATM 9014 H15 LIG 0 3.805 2.489 2.561 1.00001.00 H HETATM 9015 H16 LIG 0 5.010 3.736 2.723 1.00001.00 H HETATM 9016 H17 LIG 0 3.776 1.455 6.199 1.00001.00 H HETATM 9017 H18 LIG 0 3.000 1.182 4.632 1.00001.00 H HETATM 9018 H19 LIG 0 2.615 2.624 5.591 1.00001.00 H HETATM 9019 H20 LIG 0 6.580 2.227 3.875 1.00001.00 H HETATM 9020 H21 LIG 0 6.098 1.315 5.305 1.00001.00 H HETATM 9021 H22 LIG 0 5.425 0.891 3.721 1.00001.00 H HETATM 9022 H23 LIG 0 5.938 4.403 5.068 1.00001.00 H HETATM 9023 H24 LIG 0 4.424 5.941 3.800 1.00001.00 H HETATM 9024 H25 LIG 0 1.479 2.972 2.759 1.00001.00 H HETATM 9025 H26 LIG 0 2.665 7.657 3.887 1.00001.00 H HETATM 9026 H27 LIG 0 -0.282 4.688 2.845 1.00001.00 H HETATM 9027 H28 LIG 0 -0.031 7.873 2.467 1.00001.00 H HETATM 9028 H29 LIG 0 -0.976 6.854 3.528 1.00001.00 H HETATM 9029 H30 LIG 0 -0.736 8.741 4.902 1.00001.00 H HETATM 9030 H31 LIG 0 0.852 9.150 4.228 1.00001.00 H HETATM 9031 H32 LIG 0 0.702 7.844 5.418 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.172 0.953 -2.362 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.042 -0.211 -1.334 1.00001.00 H ATOM 1216 CG TYR 78 -3.847 1.185 -0.282 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.287 2.475 -0.224 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.534 3.220 -0.981 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.525 0.216 0.687 1.00001.00 C ATOM 1220 HD2 TYR 78 -3.980 -0.775 0.650 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.409 2.800 0.817 1.00001.00 C ATOM 1222 HE1 TYR 78 -1.998 3.806 0.895 1.00001.00 H ATOM 1223 CE2 TYR 78 -2.613 0.531 1.708 1.00001.00 C ATOM 1224 HE2 TYR 78 -2.336 -0.212 2.455 1.00001.00 H ATOM 1225 CZ TYR 78 -2.056 1.822 1.762 1.00001.00 C ATOM 1226 OH TYR 78 -1.132 2.133 2.686 1.00001.00 O ATOM 1227 HH TYR 78 -0.870 1.477 3.351 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.299 12.667 6.324 1.00001.00 H ATOM 1614 HB2 MET 106 -4.589 13.137 4.760 1.00001.00 H ATOM 1615 CG MET 106 -3.162 12.535 6.241 1.00001.00 C ATOM 1616 HG1 MET 106 -2.429 12.053 5.596 1.00001.00 H ATOM 1617 HG2 MET 106 -3.196 12.020 7.202 1.00001.00 H ATOM 1618 SD MET 106 -2.640 14.251 6.526 1.00001.00 S ATOM 1619 CE MET 106 -3.900 14.817 7.689 1.00001.00 C ATOM 1620 HE1 MET 106 -4.052 14.058 8.457 1.00001.00 H ATOM 1621 HE2 MET 106 -4.836 14.987 7.157 1.00001.00 H ATOM 1622 HE3 MET 106 -3.574 15.745 8.156 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.694 9.249 7.326 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.098 10.136 8.750 1.00001.00 H ATOM 1632 CG PHE 107 -8.578 8.097 9.111 1.00001.00 C ATOM 1633 CD1 PHE 107 -9.451 7.112 8.604 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.797 7.171 7.573 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.111 8.011 10.431 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.436 8.771 10.825 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.872 6.058 9.430 1.00001.00 C ATOM 1638 HE1 PHE 107 -10.556 5.300 9.046 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.516 6.944 11.245 1.00001.00 C ATOM 1640 HE2 PHE 107 -8.134 6.865 12.263 1.00001.00 H ATOM 1641 CZ PHE 107 -9.410 5.978 10.753 1.00001.00 C ATOM 1642 HZ PHE 107 -9.744 5.167 11.400 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.576 4.830 3.747 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.751 6.598 3.657 1.00001.00 H ATOM 1652 CG PHE 108 -9.325 5.599 4.679 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.888 4.322 4.862 1.00001.00 C ATOM 1654 HD1 PHE 108 -9.270 3.434 4.733 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.127 6.744 4.831 1.00001.00 C ATOM 1656 HD2 PHE 108 -9.697 7.733 4.677 1.00001.00 H ATOM 1657 CE1 PHE 108 -11.243 4.191 5.209 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.676 3.201 5.354 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.483 6.613 5.178 1.00001.00 C ATOM 1660 HE2 PHE 108 -12.103 7.501 5.299 1.00001.00 H ATOM 1661 CZ PHE 108 -12.039 5.337 5.372 1.00001.00 C ATOM 1662 HZ PHE 108 -13.090 5.236 5.647 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -1.992 7.967 3.890 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.679 8.409 3.531 1.00001.00 H ATOM 1672 CG HIS 109 -2.648 7.461 1.941 1.00001.00 C ATOM 1673 CD2 HIS 109 -1.598 7.978 1.230 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.733 8.569 1.530 1.00001.00 H ATOM 1675 ND1 HIS 109 -3.452 6.794 1.052 1.00001.00 N ATOM 1676 CE1 HIS 109 -2.907 6.926 -0.166 1.00001.00 C ATOM 1677 HE1 HIS 109 -3.270 6.558 -1.126 1.00001.00 H ATOM 1678 NE2 HIS 109 -1.767 7.621 -0.104 1.00001.00 N ATOM 1679 HE2 HIS 109 -1.090 7.897 -0.785 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -1.418 7.448 9.478 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.986 7.834 8.731 1.00001.00 H ATOM 1689 CG LEU 110 -1.347 9.028 8.025 1.00001.00 C ATOM 1690 HG LEU 110 -1.654 9.180 6.989 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.874 10.171 8.886 1.00001.00 C ATOM 1692 1HD1 LEU 110 -1.484 11.118 8.510 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.551 10.029 9.917 1.00001.00 H ATOM 1694 3HD1 LEU 110 -2.963 10.185 8.843 1.00001.00 H ATOM 1695 CD2 LEU 110 0.181 9.067 8.087 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.542 9.974 7.603 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.589 8.195 7.574 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.503 9.058 9.129 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.785 3.668 7.832 1.00001.00 H ATOM 1707 CG1 THR 111 -6.039 2.361 9.503 1.00001.00 C ATOM 1708 1HG1 THR 111 -7.126 2.445 9.527 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.660 2.257 10.520 1.00001.00 H ATOM 1710 3HG1 THR 111 -5.755 1.487 8.918 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.725 9.559 1.00001.00 O ATOM 1712 HG2 THR 111 -6.150 5.438 8.930 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.060 0.832 3.879 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.109 2.583 4.190 1.00001.00 H ATOM 1722 CG LEU 112 -5.005 1.596 4.360 1.00001.00 C ATOM 1723 HG LEU 112 -5.454 2.225 5.129 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.390 2.127 2.981 1.00001.00 C ATOM 1725 1HD1 LEU 112 -4.921 1.513 2.210 1.00001.00 H ATOM 1726 2HD1 LEU 112 -5.050 3.157 2.880 1.00001.00 H ATOM 1727 3HD1 LEU 112 -6.474 2.088 2.864 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.598 0.207 4.524 1.00001.00 C ATOM 1729 1HD2 LEU 112 -5.401 -0.156 5.533 1.00001.00 H ATOM 1730 2HD2 LEU 112 -5.143 -0.470 3.800 1.00001.00 H ATOM 1731 3HD2 LEU 112 -6.674 0.248 4.356 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 0.793 4.372 6.988 1.00001.00 H ATOM 1740 HB2 ALA 113 0.987 4.332 5.220 1.00001.00 H ATOM 1741 HB3 ALA 113 2.332 3.835 6.274 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1744 N GLY 114 0.654 2.065 8.545 1.00001.00 N ATOM 1745 HN GLY 114 -0.022 2.801 8.549 1.00001.00 H ATOM 1746 CA GLY 114 1.003 1.462 9.826 1.00001.00 C ATOM 1747 HA1 GLY 114 0.461 1.977 10.620 1.00001.00 H ATOM 1748 HA2 GLY 114 2.075 1.569 9.989 1.00001.00 H ATOM 1749 C GLY 114 0.641 -0.021 9.857 1.00001.00 C ATOM 1750 O GLY 114 1.474 -0.865 10.195 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 2.050 -2.468 4.655 1.00001.00 H ATOM 1767 HB2 GLU 116 1.075 -1.153 5.351 1.00001.00 H ATOM 1768 CG GLU 116 -0.040 -2.552 4.158 1.00001.00 C ATOM 1769 HG1 GLU 116 -0.982 -2.493 4.701 1.00001.00 H ATOM 1770 HG2 GLU 116 0.105 -3.568 3.792 1.00001.00 H ATOM 1771 CD GLU 116 -0.117 -1.608 2.949 1.00001.00 C ATOM 1772 OE1 GLU 116 0.312 -2.065 1.864 1.00001.00 O ATOM 1773 OE2 GLU 116 -0.558 -0.449 3.119 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.207 -0.939 9.644 1.00001.00 H ATOM 1782 CG1 VAL 117 6.282 -1.444 9.459 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.241 -2.111 10.320 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.648 -0.466 9.773 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.953 -1.859 8.707 1.00001.00 H ATOM 1786 CG2 VAL 117 5.031 -0.235 7.765 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.062 -0.051 7.303 1.00001.00 H ATOM 1788 2HG2 VAL 117 5.731 -0.594 7.009 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.410 0.690 8.199 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 2.465 -4.064 13.188 1.00001.00 H ATOM 1798 HB2 PHE 118 1.270 -5.133 12.415 1.00001.00 H ATOM 1799 CG PHE 118 1.162 -3.095 11.814 1.00001.00 C ATOM 1800 CD1 PHE 118 1.789 -1.841 11.706 1.00001.00 C ATOM 1801 HD1 PHE 118 2.841 -1.733 11.974 1.00001.00 H ATOM 1802 CD2 PHE 118 -0.202 -3.220 11.501 1.00001.00 C ATOM 1803 HD2 PHE 118 -0.703 -4.179 11.635 1.00001.00 H ATOM 1804 CE1 PHE 118 1.063 -0.724 11.253 1.00001.00 C ATOM 1805 HE1 PHE 118 1.547 0.249 11.180 1.00001.00 H ATOM 1806 CE2 PHE 118 -0.922 -2.114 11.019 1.00001.00 C ATOM 1807 HE2 PHE 118 -1.969 -2.224 10.738 1.00001.00 H ATOM 1808 CZ PHE 118 -0.289 -0.866 10.897 1.00001.00 C ATOM 1809 HZ PHE 118 -0.846 -0.006 10.527 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2437 N MET 158 -4.663 0.284 13.316 1.00001.00 N ATOM 2438 HN MET 158 -4.747 -0.693 13.513 1.00001.00 H ATOM 2439 CA MET 158 -5.762 1.164 13.737 1.00001.00 C ATOM 2440 HA MET 158 -6.166 1.666 12.858 1.00001.00 H ATOM 2441 CB MET 158 -6.900 0.336 14.348 1.00001.00 C ATOM 2442 HB1 MET 158 -7.582 1.008 14.869 1.00001.00 H ATOM 2443 HB2 MET 158 -6.475 -0.372 15.059 1.00001.00 H ATOM 2444 CG MET 158 -7.689 -0.442 13.293 1.00001.00 C ATOM 2445 HG1 MET 158 -8.280 -1.206 13.801 1.00001.00 H ATOM 2446 HG2 MET 158 -6.980 -0.921 12.617 1.00001.00 H ATOM 2447 SD MET 158 -8.808 0.582 12.310 1.00001.00 S ATOM 2448 CE MET 158 -9.248 -0.603 11.014 1.00001.00 C ATOM 2449 HE1 MET 158 -9.863 -1.396 11.441 1.00001.00 H ATOM 2450 HE2 MET 158 -8.340 -1.035 10.592 1.00001.00 H ATOM 2451 HE3 MET 158 -9.806 -0.092 10.229 1.00001.00 H ATOM 2452 C MET 158 -5.302 2.222 14.743 1.00001.00 C ATOM 2453 O MET 158 -5.781 3.352 14.689 1.00001.00 O ATOM 2470 N ASP 160 -2.282 3.620 14.725 1.00001.00 N ATOM 2471 HN ASP 160 -2.134 2.657 14.501 1.00001.00 H ATOM 2472 CA ASP 160 -1.649 4.627 13.858 1.00001.00 C ATOM 2473 HA ASP 160 -0.969 5.229 14.460 1.00001.00 H ATOM 2474 CB ASP 160 -0.823 3.973 12.735 1.00001.00 C ATOM 2475 HB1 ASP 160 -0.672 4.707 11.944 1.00001.00 H ATOM 2476 HB2 ASP 160 -1.383 3.125 12.341 1.00001.00 H ATOM 2477 CG ASP 160 0.527 3.484 13.202 1.00001.00 C ATOM 2478 OD1 ASP 160 1.448 4.331 13.200 1.00001.00 O ATOM 2479 OD2 ASP 160 0.622 2.268 13.487 1.00001.00 O ATOM 2480 C ASP 160 -2.665 5.549 13.197 1.00001.00 C ATOM 2481 O ASP 160 -2.551 6.775 13.285 1.00001.00 O ATOM 2527 N LEU 164 -2.540 9.472 14.392 1.00001.00 N ATOM 2528 HN LEU 164 -2.573 8.519 14.092 1.00001.00 H ATOM 2529 CA LEU 164 -1.904 10.439 13.500 1.00001.00 C ATOM 2530 HA LEU 164 -1.325 11.139 14.103 1.00001.00 H ATOM 2531 CB LEU 164 -0.884 9.709 12.614 1.00001.00 C ATOM 2532 HB1 LEU 164 -0.498 10.424 11.889 1.00001.00 H ATOM 2533 HB2 LEU 164 -1.408 8.909 12.091 1.00001.00 H ATOM 2534 CG LEU 164 0.317 9.086 13.351 1.00001.00 C ATOM 2535 HG LEU 164 -0.037 8.515 14.210 1.00001.00 H ATOM 2536 CD1 LEU 164 1.064 8.159 12.394 1.00001.00 C ATOM 2537 1HD1 LEU 164 1.905 7.700 12.914 1.00001.00 H ATOM 2538 2HD1 LEU 164 1.432 8.734 11.544 1.00001.00 H ATOM 2539 3HD1 LEU 164 0.388 7.380 12.040 1.00001.00 H ATOM 2540 CD2 LEU 164 1.302 10.143 13.860 1.00001.00 C ATOM 2541 1HD2 LEU 164 0.794 10.808 14.559 1.00001.00 H ATOM 2542 2HD2 LEU 164 1.680 10.722 13.018 1.00001.00 H ATOM 2543 3HD2 LEU 164 2.134 9.651 14.366 1.00001.00 H ATOM 2544 C LEU 164 -2.913 11.230 12.666 1.00001.00 C ATOM 2545 O LEU 164 -2.670 12.411 12.401 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.306 14.515 0.036 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.858 13.404 -0.724 1.00001.00 H ATOM 2879 CG GLU 185 0.691 12.430 0.412 1.00001.00 C ATOM 2880 HG1 GLU 185 0.104 11.530 0.597 1.00001.00 H ATOM 2881 HG2 GLU 185 1.298 12.654 1.291 1.00001.00 H ATOM 2882 CD GLU 185 1.628 12.167 -0.775 1.00001.00 C ATOM 2883 OE1 GLU 185 1.219 11.391 -1.662 1.00001.00 O ATOM 2884 OE2 GLU 185 2.724 12.776 -0.829 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.162 12.996 5.884 1.00001.00 H ATOM 2893 CG1 THR 186 0.280 14.170 7.449 1.00001.00 C ATOM 2894 1HG1 THR 186 1.186 14.771 7.523 1.00001.00 H ATOM 2895 2HG1 THR 186 0.289 13.402 8.222 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.592 14.810 7.583 1.00001.00 H ATOM 2897 OG2 THR 186 -0.799 12.540 6.066 1.00001.00 O ATOM 2898 HG2 THR 186 -0.515 11.778 5.537 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 9.126 9.053 15.201 1.00001.00 H ATOM 3193 HB2 TYR 205 9.375 9.382 13.469 1.00001.00 H ATOM 3194 CG TYR 205 10.764 8.025 14.326 1.00001.00 C ATOM 3195 CD1 TYR 205 11.238 7.494 15.542 1.00001.00 C ATOM 3196 HD1 TYR 205 10.594 7.483 16.422 1.00001.00 H ATOM 3197 CD2 TYR 205 11.588 8.022 13.185 1.00001.00 C ATOM 3198 HD2 TYR 205 11.216 8.432 12.247 1.00001.00 H ATOM 3199 CE1 TYR 205 12.545 6.978 15.618 1.00001.00 C ATOM 3200 HE1 TYR 205 12.922 6.586 16.563 1.00001.00 H ATOM 3201 CE2 TYR 205 12.889 7.495 13.256 1.00001.00 C ATOM 3202 HE2 TYR 205 13.528 7.492 12.372 1.00001.00 H ATOM 3203 CZ TYR 205 13.367 6.970 14.473 1.00001.00 C ATOM 3204 OH TYR 205 14.615 6.433 14.531 1.00001.00 O ATOM 3205 HH TYR 205 14.941 6.054 15.362 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.364 -1.479 12.197 1.00001.00 H ATOM 3293 HB2 MET 211 4.392 -0.032 12.324 1.00001.00 H ATOM 3294 CG MET 211 3.262 -0.478 14.098 1.00001.00 C ATOM 3295 HG1 MET 211 3.809 -0.791 14.988 1.00001.00 H ATOM 3296 HG2 MET 211 2.274 -0.938 14.100 1.00001.00 H ATOM 3297 SD MET 211 3.093 1.280 14.097 1.00001.00 S ATOM 3298 CE MET 211 2.166 1.623 15.612 1.00001.00 C ATOM 3299 HE1 MET 211 1.877 2.674 15.630 1.00001.00 H ATOM 3300 HE2 MET 211 2.789 1.402 16.478 1.00001.00 H ATOM 3301 HE3 MET 211 1.272 1.001 15.639 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 9.681 -1.491 9.550 1.00001.00 H ATOM 3310 HB2 LEU 212 8.959 -0.271 10.627 1.00001.00 H ATOM 3311 CG LEU 212 8.008 -0.444 8.714 1.00001.00 C ATOM 3312 HG LEU 212 7.816 -1.236 7.990 1.00001.00 H ATOM 3313 CD1 LEU 212 6.676 0.230 9.038 1.00001.00 C ATOM 3314 1HD1 LEU 212 6.671 0.541 10.083 1.00001.00 H ATOM 3315 2HD1 LEU 212 5.862 -0.474 8.866 1.00001.00 H ATOM 3316 3HD1 LEU 212 6.544 1.102 8.399 1.00001.00 H ATOM 3317 CD2 LEU 212 8.924 0.594 8.059 1.00001.00 C ATOM 3318 1HD2 LEU 212 8.547 1.595 8.268 1.00001.00 H ATOM 3319 2HD2 LEU 212 8.944 0.432 6.981 1.00001.00 H ATOM 3320 3HD2 LEU 212 9.932 0.493 8.460 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 7.144 -3.217 3.546 1.00001.00 H ATOM 4019 HB2 LEU 256 7.199 -3.643 1.818 1.00001.00 H ATOM 4020 CG LEU 256 5.583 -2.324 2.358 1.00001.00 C ATOM 4021 HG LEU 256 5.518 -1.712 1.459 1.00001.00 H ATOM 4022 CD1 LEU 256 4.657 -3.513 2.233 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.708 -4.111 3.143 1.00001.00 H ATOM 4024 2HD1 LEU 256 4.959 -4.122 1.381 1.00001.00 H ATOM 4025 3HD1 LEU 256 3.635 -3.164 2.086 1.00001.00 H ATOM 4026 CD2 LEU 256 5.127 -1.470 3.541 1.00001.00 C ATOM 4027 1HD2 LEU 256 5.138 -2.072 4.450 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.116 -1.105 3.358 1.00001.00 H ATOM 4029 3HD2 LEU 256 5.803 -0.623 3.659 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.798 -2.507 6.729 1.00001.00 H ATOM 4038 HB2 PHE 257 11.773 -3.282 5.127 1.00001.00 H ATOM 4039 CG PHE 257 10.305 -4.001 6.485 1.00001.00 C ATOM 4040 CD1 PHE 257 9.866 -3.942 7.821 1.00001.00 C ATOM 4041 HD1 PHE 257 10.154 -3.105 8.457 1.00001.00 H ATOM 4042 CD2 PHE 257 9.903 -5.072 5.669 1.00001.00 C ATOM 4043 HD2 PHE 257 10.195 -5.087 4.618 1.00001.00 H ATOM 4044 CE1 PHE 257 9.054 -4.966 8.335 1.00001.00 C ATOM 4045 HE1 PHE 257 8.677 -4.900 9.356 1.00001.00 H ATOM 4046 CE2 PHE 257 9.129 -6.116 6.195 1.00001.00 C ATOM 4047 HE2 PHE 257 8.840 -6.957 5.565 1.00001.00 H ATOM 4048 CZ PHE 257 8.728 -6.074 7.537 1.00001.00 C ATOM 4049 HZ PHE 257 8.161 -6.903 7.962 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 8.026 1.866 2.328 1.00001.00 H ATOM 4065 HB2 ALA 259 8.972 2.514 0.966 1.00001.00 H ATOM 4066 HB3 ALA 259 7.885 3.584 1.883 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 7.422 1.642 8.138 1.00001.00 H ATOM 4075 HB2 SER 260 8.736 0.754 7.330 1.00001.00 H ATOM 4076 OG SER 260 6.925 0.709 6.392 1.00001.00 O ATOM 4077 HG SER 260 7.365 0.318 5.621 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.316 2.622 6.685 1.00001.00 H ATOM 4086 HB2 PHE 261 12.837 1.553 8.023 1.00001.00 H ATOM 4087 CG PHE 261 14.252 3.057 8.549 1.00001.00 C ATOM 4088 CD1 PHE 261 15.204 3.916 7.968 1.00001.00 C ATOM 4089 HD1 PHE 261 15.104 4.213 6.922 1.00001.00 H ATOM 4090 CD2 PHE 261 14.386 2.674 9.894 1.00001.00 C ATOM 4091 HD2 PHE 261 13.650 2.009 10.347 1.00001.00 H ATOM 4092 CE1 PHE 261 16.284 4.394 8.730 1.00001.00 C ATOM 4093 HE1 PHE 261 17.017 5.061 8.280 1.00001.00 H ATOM 4094 CE2 PHE 261 15.468 3.148 10.659 1.00001.00 C ATOM 4095 HE2 PHE 261 15.572 2.847 11.701 1.00001.00 H ATOM 4096 CZ PHE 261 16.416 4.007 10.078 1.00001.00 C ATOM 4097 HZ PHE 261 17.253 4.377 10.671 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.108 6.518 3.827 1.00001.00 H ATOM 4106 HB2 TYR 262 12.574 5.510 3.885 1.00001.00 H ATOM 4107 CG TYR 262 12.929 7.580 3.567 1.00001.00 C ATOM 4108 CD1 TYR 262 12.298 8.798 3.246 1.00001.00 C ATOM 4109 HD1 TYR 262 11.235 8.931 3.449 1.00001.00 H ATOM 4110 CD2 TYR 262 14.310 7.416 3.344 1.00001.00 C ATOM 4111 HD2 TYR 262 14.801 6.484 3.622 1.00001.00 H ATOM 4112 CE1 TYR 262 13.039 9.842 2.663 1.00001.00 C ATOM 4113 HE1 TYR 262 12.557 10.786 2.411 1.00001.00 H ATOM 4114 CE2 TYR 262 15.053 8.457 2.764 1.00001.00 C ATOM 4115 HE2 TYR 262 16.124 8.340 2.590 1.00001.00 H ATOM 4116 CZ TYR 262 14.409 9.660 2.406 1.00001.00 C ATOM 4117 OH TYR 262 15.119 10.633 1.791 1.00001.00 O ATOM 4118 HH TYR 262 16.065 10.506 1.615 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.237 6.672 6.337 1.00001.00 H ATOM 4127 CG1 THR 263 6.377 8.500 5.646 1.00001.00 C ATOM 4128 1HG1 THR 263 6.161 8.858 6.653 1.00001.00 H ATOM 4129 2HG1 THR 263 5.491 8.011 5.238 1.00001.00 H ATOM 4130 3HG1 THR 263 6.652 9.342 5.012 1.00001.00 H ATOM 4131 OG2 THR 263 7.719 7.071 4.370 1.00001.00 O ATOM 4132 HG2 THR 263 8.141 6.198 4.372 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.850 6.766 11.325 1.00001.00 H ATOM 4141 HB2 TYR 264 8.318 5.785 9.917 1.00001.00 H ATOM 4142 CG TYR 264 6.513 6.888 9.672 1.00001.00 C ATOM 4143 CD1 TYR 264 5.537 7.585 10.408 1.00001.00 C ATOM 4144 HD1 TYR 264 5.789 8.013 11.379 1.00001.00 H ATOM 4145 CD2 TYR 264 6.184 6.340 8.415 1.00001.00 C ATOM 4146 HD2 TYR 264 6.941 5.795 7.851 1.00001.00 H ATOM 4147 CE1 TYR 264 4.235 7.730 9.892 1.00001.00 C ATOM 4148 HE1 TYR 264 3.481 8.264 10.470 1.00001.00 H ATOM 4149 CE2 TYR 264 4.886 6.493 7.891 1.00001.00 C ATOM 4150 HE2 TYR 264 4.636 6.077 6.914 1.00001.00 H ATOM 4151 CZ TYR 264 3.906 7.187 8.634 1.00001.00 C ATOM 4152 OH TYR 264 2.642 7.347 8.162 1.00001.00 O ATOM 4153 HH TYR 264 2.396 6.982 7.298 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4156 N MET 265 11.461 7.544 10.081 1.00001.00 N ATOM 4157 HN MET 265 11.496 7.073 9.199 1.00001.00 H ATOM 4158 CA MET 265 12.660 7.470 10.929 1.00001.00 C ATOM 4159 HA MET 265 12.395 7.789 11.936 1.00001.00 H ATOM 4160 CB MET 265 13.142 6.017 11.067 1.00001.00 C ATOM 4161 HB1 MET 265 14.057 6.007 11.658 1.00001.00 H ATOM 4162 HB2 MET 265 13.350 5.623 10.072 1.00001.00 H ATOM 4163 CG MET 265 12.112 5.117 11.744 1.00001.00 C ATOM 4164 HG1 MET 265 12.410 4.966 12.781 1.00001.00 H ATOM 4165 HG2 MET 265 12.095 4.156 11.229 1.00001.00 H ATOM 4166 SD MET 265 10.444 5.816 11.719 1.00001.00 S ATOM 4167 CE MET 265 9.511 4.335 11.299 1.00001.00 C ATOM 4168 HE1 MET 265 8.478 4.607 11.081 1.00001.00 H ATOM 4169 HE2 MET 265 9.534 3.641 12.139 1.00001.00 H ATOM 4170 HE3 MET 265 9.955 3.861 10.425 1.00001.00 H ATOM 4171 C MET 265 13.798 8.349 10.424 1.00001.00 C ATOM 4172 O MET 265 14.578 8.865 11.231 1.00001.00 O TER END Pose: 4 Node: 0 # Binding energies BENERG: Tyr78: -0.341626 Met106: -0.591594 Phe107: -0.0310907 Phe108: -0.0509379 His109: 1.73609 Leu110: 0.34673 Thr111: -0.0544779 Leu112: -0.170579 Ala113: 2.38796 Glu116: 0.295383 Val117: -0.356067 Phe118: -0.0038357 Glu185: -0.591854 Thr186: -0.378232 Pro187: -0.395001 Tyr205: -0.0170583 Cys208: -0.902399 Met211: -0.39764 Leu212: -0.470646 Leu256: 0.248399 Phe257: -0.0988166 Ala259: 0.695191 Ser260: 0.0393461 Phe261: -0.225138 Tyr262: -0.421915 Thr263: 3.04699 Tyr264: -1.85736 Met265: -0.0585557 Tyr283: 1.0287 Total ionic: -0 Total H-bond: -0.0649491 Total pi stack: -0.0524236 Total polar-pi and cation-pi: -4.81476 Total metal coordination: -0 Total van der Waals: -9.89959 Total: 2.40997 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 115.363 Proximity: 1.03732 Protein clashes: -5.49146 # van der Waals repulsion vdWRPL: Met106: 0.0845916 His109: 4.87242 Leu110: 2.09468 Ala113: 2.0295 Val117: 0.0774016 Glu185: 0.0341014 Thr186: 0.787892 Pro187: 0.0576363 Cys208: 0.0628506 Leu212: 0.0505097 Leu256: 0.0183249 Ala259: 0.791414 Ser260: 2.0645 Thr263: 3.46224 Tyr264: 7.46691 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 4.799 4.494 2.219 1.00001.00 O HETATM 9001 C2 LIG 0 5.286 4.204 4.594 1.00001.00 C HETATM 9002 C3 LIG 0 4.283 4.639 5.693 1.00001.00 C HETATM 9003 C4 LIG 0 3.499 5.900 5.409 1.00001.00 C HETATM 9004 C5 LIG 0 6.408 5.231 4.387 1.00001.00 C HETATM 9005 C6 LIG 0 5.916 2.862 5.006 1.00001.00 C HETATM 9006 C7 LIG 0 4.539 3.950 3.288 1.00001.00 C HETATM 9007 C8 LIG 0 4.088 7.132 5.640 1.00001.00 C HETATM 9008 C9 LIG 0 2.206 5.797 4.923 1.00001.00 C HETATM 9009 C10 LIG 0 2.061 8.209 4.888 1.00001.00 C HETATM 9010 C11 LIG 0 3.364 8.295 5.378 1.00001.00 C HETATM 9011 C12 LIG 0 1.482 6.961 4.661 1.00001.00 C HETATM 9012 C13 LIG 0 1.287 9.452 4.607 1.00001.00 C HETATM 9013 C14 LIG 0 0.357 9.830 5.756 1.00001.00 C HETATM 9014 H15 LIG 0 4.815 4.763 6.647 1.00001.00 H HETATM 9015 H16 LIG 0 3.564 3.828 5.877 1.00001.00 H HETATM 9016 H17 LIG 0 7.158 4.858 3.680 1.00001.00 H HETATM 9017 H18 LIG 0 6.920 5.454 5.329 1.00001.00 H HETATM 9018 H19 LIG 0 6.029 6.171 3.972 1.00001.00 H HETATM 9019 H20 LIG 0 5.152 2.089 5.153 1.00001.00 H HETATM 9020 H21 LIG 0 6.602 2.492 4.235 1.00001.00 H HETATM 9021 H22 LIG 0 6.479 2.959 5.941 1.00001.00 H HETATM 9022 H23 LIG 0 3.719 3.212 3.347 1.00001.00 H HETATM 9023 H24 LIG 0 5.104 7.211 6.017 1.00001.00 H HETATM 9024 H25 LIG 0 1.746 4.830 4.741 1.00001.00 H HETATM 9025 H26 LIG 0 3.827 9.261 5.560 1.00001.00 H HETATM 9026 H27 LIG 0 0.467 6.880 4.281 1.00001.00 H HETATM 9027 H28 LIG 0 1.975 10.284 4.406 1.00001.00 H HETATM 9028 H29 LIG 0 0.699 9.328 3.689 1.00001.00 H HETATM 9029 H30 LIG 0 0.849 10.516 6.454 1.00001.00 H HETATM 9030 H31 LIG 0 0.060 8.935 6.311 1.00001.00 H HETATM 9031 H32 LIG 0 -0.551 10.319 5.387 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.110 1.049 -2.302 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.038 -0.217 -1.462 1.00001.00 H ATOM 1216 CG TYR 78 -3.934 1.067 -0.192 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.067 2.175 -0.140 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.015 2.877 -0.974 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.999 0.153 0.878 1.00001.00 C ATOM 1220 HD2 TYR 78 -4.689 -0.690 0.842 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.269 2.375 0.992 1.00001.00 C ATOM 1222 HE1 TYR 78 -1.622 3.249 1.061 1.00001.00 H ATOM 1223 CE2 TYR 78 -3.169 0.334 1.997 1.00001.00 C ATOM 1224 HE2 TYR 78 -3.190 -0.374 2.824 1.00001.00 H ATOM 1225 CZ TYR 78 -2.304 1.442 2.042 1.00001.00 C ATOM 1226 OH TYR 78 -1.451 1.606 3.068 1.00001.00 O ATOM 1227 HH TYR 78 -1.454 0.976 3.806 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.265 12.644 6.364 1.00001.00 H ATOM 1614 HB2 MET 106 -4.644 13.144 4.772 1.00001.00 H ATOM 1615 CG MET 106 -3.133 12.556 6.172 1.00001.00 C ATOM 1616 HG1 MET 106 -2.427 12.697 5.356 1.00001.00 H ATOM 1617 HG2 MET 106 -2.894 11.636 6.707 1.00001.00 H ATOM 1618 SD MET 106 -2.967 13.950 7.324 1.00001.00 S ATOM 1619 CE MET 106 -3.565 13.213 8.861 1.00001.00 C ATOM 1620 HE1 MET 106 -3.204 12.187 8.936 1.00001.00 H ATOM 1621 HE2 MET 106 -4.655 13.215 8.865 1.00001.00 H ATOM 1622 HE3 MET 106 -3.197 13.790 9.708 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.730 8.732 7.484 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.236 10.266 8.243 1.00001.00 H ATOM 1632 CG PHE 107 -8.346 8.611 9.573 1.00001.00 C ATOM 1633 CD1 PHE 107 -8.906 7.323 9.695 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.184 6.764 8.802 1.00001.00 H ATOM 1635 CD2 PHE 107 -7.966 9.323 10.720 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.533 10.320 10.629 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.104 6.762 10.966 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.547 5.770 11.065 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.144 8.750 11.987 1.00001.00 C ATOM 1640 HE2 PHE 107 -7.825 9.294 12.877 1.00001.00 H ATOM 1641 CZ PHE 107 -8.729 7.480 12.113 1.00001.00 C ATOM 1642 HZ PHE 107 -8.892 7.051 13.102 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.646 4.775 3.809 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.674 6.543 3.604 1.00001.00 H ATOM 1652 CG PHE 108 -9.334 5.744 4.667 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.993 4.534 4.955 1.00001.00 C ATOM 1654 HD1 PHE 108 -9.444 3.594 4.915 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.048 6.955 4.704 1.00001.00 C ATOM 1656 HD2 PHE 108 -9.542 7.891 4.469 1.00001.00 H ATOM 1657 CE1 PHE 108 -11.358 4.537 5.292 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.865 3.600 5.519 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.412 6.958 5.041 1.00001.00 C ATOM 1660 HE2 PHE 108 -11.964 7.897 5.073 1.00001.00 H ATOM 1661 CZ PHE 108 -12.065 5.750 5.340 1.00001.00 C ATOM 1662 HZ PHE 108 -13.122 5.754 5.607 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -2.864 8.434 4.155 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.633 7.917 2.635 1.00001.00 H ATOM 1672 CG HIS 109 -1.561 7.495 2.775 1.00001.00 C ATOM 1673 CD2 HIS 109 -0.487 8.330 2.937 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.338 9.219 3.550 1.00001.00 H ATOM 1675 ND1 HIS 109 -1.191 6.527 1.876 1.00001.00 N ATOM 1676 CE1 HIS 109 0.066 6.789 1.491 1.00001.00 C ATOM 1677 HE1 HIS 109 0.689 6.259 0.771 1.00001.00 H ATOM 1678 NE2 HIS 109 0.544 7.864 2.126 1.00001.00 N ATOM 1679 HE2 HIS 109 1.424 8.337 2.115 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -1.440 7.438 9.486 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.988 7.850 8.711 1.00001.00 H ATOM 1689 CG LEU 110 -1.315 9.020 8.040 1.00001.00 C ATOM 1690 HG LEU 110 -1.537 9.143 6.979 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.920 10.179 8.825 1.00001.00 C ATOM 1692 1HD1 LEU 110 -1.539 11.122 8.432 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.649 10.088 9.876 1.00001.00 H ATOM 1694 3HD1 LEU 110 -3.006 10.157 8.725 1.00001.00 H ATOM 1695 CD2 LEU 110 0.202 9.075 8.227 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.590 9.993 7.786 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.660 8.215 7.738 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.438 9.056 9.291 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.785 3.640 7.831 1.00001.00 H ATOM 1707 CG1 THR 111 -6.039 2.379 9.536 1.00001.00 C ATOM 1708 1HG1 THR 111 -5.626 2.277 10.540 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.793 1.494 8.949 1.00001.00 H ATOM 1710 3HG1 THR 111 -7.122 2.483 9.598 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.744 9.528 1.00001.00 O ATOM 1712 HG2 THR 111 -6.015 5.485 8.905 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.027 0.857 3.872 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.144 2.600 4.205 1.00001.00 H ATOM 1722 CG LEU 112 -5.002 1.540 4.350 1.00001.00 C ATOM 1723 HG LEU 112 -5.480 2.114 5.145 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.403 2.119 2.994 1.00001.00 C ATOM 1725 1HD1 LEU 112 -4.917 1.552 2.199 1.00001.00 H ATOM 1726 2HD1 LEU 112 -5.093 3.162 2.938 1.00001.00 H ATOM 1727 3HD1 LEU 112 -6.485 2.054 2.875 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.538 0.122 4.445 1.00001.00 C ATOM 1729 1HD2 LEU 112 -6.620 0.132 4.304 1.00001.00 H ATOM 1730 2HD2 LEU 112 -5.304 -0.290 5.427 1.00001.00 H ATOM 1731 3HD2 LEU 112 -5.077 -0.494 3.673 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 2.327 3.837 6.316 1.00001.00 H ATOM 1740 HB2 ALA 113 0.761 4.384 6.959 1.00001.00 H ATOM 1741 HB3 ALA 113 1.026 4.318 5.201 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 1.717 -1.338 5.301 1.00001.00 H ATOM 1767 HB2 GLU 116 0.105 -1.910 4.809 1.00001.00 H ATOM 1768 CG GLU 116 1.739 -3.061 4.016 1.00001.00 C ATOM 1769 HG1 GLU 116 1.221 -4.018 3.967 1.00001.00 H ATOM 1770 HG2 GLU 116 2.787 -3.227 4.268 1.00001.00 H ATOM 1771 CD GLU 116 1.674 -2.404 2.629 1.00001.00 C ATOM 1772 OE1 GLU 116 2.761 -1.993 2.161 1.00001.00 O ATOM 1773 OE2 GLU 116 0.559 -2.283 2.074 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.218 -0.949 9.657 1.00001.00 H ATOM 1782 CG1 VAL 117 6.292 -1.438 9.435 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.285 -2.174 10.239 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.624 -0.476 9.826 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.971 -1.765 8.647 1.00001.00 H ATOM 1786 CG2 VAL 117 5.006 -0.227 7.770 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.027 -0.041 7.330 1.00001.00 H ATOM 1788 2HG2 VAL 117 5.690 -0.579 6.996 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.393 0.696 8.203 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 0.974 -4.411 11.794 1.00001.00 H ATOM 1798 HB2 PHE 118 2.134 -3.261 12.501 1.00001.00 H ATOM 1799 CG PHE 118 1.979 -5.114 13.532 1.00001.00 C ATOM 1800 CD1 PHE 118 1.178 -6.264 13.652 1.00001.00 C ATOM 1801 HD1 PHE 118 0.515 -6.553 12.836 1.00001.00 H ATOM 1802 CD2 PHE 118 2.805 -4.728 14.602 1.00001.00 C ATOM 1803 HD2 PHE 118 3.386 -3.808 14.532 1.00001.00 H ATOM 1804 CE1 PHE 118 1.230 -7.044 14.822 1.00001.00 C ATOM 1805 HE1 PHE 118 0.602 -7.929 14.918 1.00001.00 H ATOM 1806 CE2 PHE 118 2.884 -5.521 15.758 1.00001.00 C ATOM 1807 HE2 PHE 118 3.556 -5.241 16.569 1.00001.00 H ATOM 1808 CZ PHE 118 2.094 -6.678 15.868 1.00001.00 C ATOM 1809 HZ PHE 118 2.150 -7.293 16.766 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2371 N TRP 154 -3.923 -5.639 12.782 1.00001.00 N ATOM 2372 HN TRP 154 -4.150 -6.607 12.893 1.00001.00 H ATOM 2373 CA TRP 154 -5.045 -4.731 12.570 1.00001.00 C ATOM 2374 HA TRP 154 -4.901 -4.219 11.619 1.00001.00 H ATOM 2375 CB TRP 154 -6.320 -5.565 12.448 1.00001.00 C ATOM 2376 HB1 TRP 154 -7.177 -4.896 12.515 1.00001.00 H ATOM 2377 HB2 TRP 154 -6.349 -6.276 13.274 1.00001.00 H ATOM 2378 CG TRP 154 -6.408 -6.321 11.169 1.00001.00 C ATOM 2379 CD1 TRP 154 -6.427 -7.659 10.992 1.00001.00 C ATOM 2380 HD1 TRP 154 -6.328 -8.467 11.718 1.00001.00 H ATOM 2381 CD2 TRP 154 -6.555 -5.741 9.851 1.00001.00 C ATOM 2382 CE2 TRP 154 -6.748 -6.796 8.913 1.00001.00 C ATOM 2383 CE3 TRP 154 -6.610 -4.409 9.398 1.00001.00 C ATOM 2384 HE3 TRP 154 -6.373 -3.593 10.081 1.00001.00 H ATOM 2385 NE1 TRP 154 -6.603 -7.954 9.649 1.00001.00 N ATOM 2386 HE1 TRP 154 -6.633 -8.844 9.195 1.00001.00 H ATOM 2387 CZ2 TRP 154 -7.100 -6.531 7.585 1.00001.00 C ATOM 2388 HZ2 TRP 154 -7.244 -7.325 6.851 1.00001.00 H ATOM 2389 CZ3 TRP 154 -6.964 -4.132 8.075 1.00001.00 C ATOM 2390 HZ3 TRP 154 -7.003 -3.100 7.726 1.00001.00 H ATOM 2391 CH2 TRP 154 -7.268 -5.184 7.209 1.00001.00 C ATOM 2392 HH2 TRP 154 -7.646 -4.975 6.208 1.00001.00 H ATOM 2393 C TRP 154 -5.187 -3.682 13.670 1.00001.00 C ATOM 2394 O TRP 154 -5.351 -2.506 13.368 1.00001.00 O ATOM 2437 N MET 158 -4.663 0.284 13.316 1.00001.00 N ATOM 2438 HN MET 158 -4.747 -0.693 13.513 1.00001.00 H ATOM 2439 CA MET 158 -5.762 1.164 13.737 1.00001.00 C ATOM 2440 HA MET 158 -6.166 1.666 12.858 1.00001.00 H ATOM 2441 CB MET 158 -6.900 0.336 14.348 1.00001.00 C ATOM 2442 HB1 MET 158 -7.626 1.015 14.795 1.00001.00 H ATOM 2443 HB2 MET 158 -6.486 -0.312 15.121 1.00001.00 H ATOM 2444 CG MET 158 -7.614 -0.532 13.311 1.00001.00 C ATOM 2445 HG1 MET 158 -8.204 -1.283 13.839 1.00001.00 H ATOM 2446 HG2 MET 158 -6.859 -1.028 12.699 1.00001.00 H ATOM 2447 SD MET 158 -8.717 0.390 12.215 1.00001.00 S ATOM 2448 CE MET 158 -8.136 -0.219 10.612 1.00001.00 C ATOM 2449 HE1 MET 158 -8.008 -1.301 10.660 1.00001.00 H ATOM 2450 HE2 MET 158 -7.181 0.249 10.370 1.00001.00 H ATOM 2451 HE3 MET 158 -8.867 0.029 9.842 1.00001.00 H ATOM 2452 C MET 158 -5.302 2.222 14.743 1.00001.00 C ATOM 2453 O MET 158 -5.781 3.352 14.689 1.00001.00 O ATOM 2470 N ASP 160 -2.282 3.620 14.725 1.00001.00 N ATOM 2471 HN ASP 160 -2.134 2.657 14.501 1.00001.00 H ATOM 2472 CA ASP 160 -1.649 4.627 13.858 1.00001.00 C ATOM 2473 HA ASP 160 -0.969 5.229 14.460 1.00001.00 H ATOM 2474 CB ASP 160 -0.823 3.973 12.735 1.00001.00 C ATOM 2475 HB1 ASP 160 -0.674 4.706 11.943 1.00001.00 H ATOM 2476 HB2 ASP 160 -1.382 3.124 12.343 1.00001.00 H ATOM 2477 CG ASP 160 0.529 3.486 13.201 1.00001.00 C ATOM 2478 OD1 ASP 160 1.462 4.318 13.141 1.00001.00 O ATOM 2479 OD2 ASP 160 0.611 2.285 13.544 1.00001.00 O ATOM 2480 C ASP 160 -2.665 5.549 13.197 1.00001.00 C ATOM 2481 O ASP 160 -2.551 6.775 13.285 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.224 14.549 -0.033 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.847 13.295 -0.700 1.00001.00 H ATOM 2879 CG GLU 185 0.790 12.535 0.475 1.00001.00 C ATOM 2880 HG1 GLU 185 1.086 12.627 1.521 1.00001.00 H ATOM 2881 HG2 GLU 185 1.655 12.714 -0.164 1.00001.00 H ATOM 2882 CD GLU 185 0.292 11.104 0.234 1.00001.00 C ATOM 2883 OE1 GLU 185 -0.374 10.571 1.145 1.00001.00 O ATOM 2884 OE2 GLU 185 0.525 10.559 -0.873 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.126 12.949 5.846 1.00001.00 H ATOM 2893 CG1 THR 186 0.375 14.179 7.437 1.00001.00 C ATOM 2894 1HG1 THR 186 1.286 14.776 7.446 1.00001.00 H ATOM 2895 2HG1 THR 186 0.434 13.416 8.213 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.484 14.823 7.625 1.00001.00 H ATOM 2897 OG2 THR 186 -0.843 12.590 6.124 1.00001.00 O ATOM 2898 HG2 THR 186 -0.786 11.989 5.365 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 2901 N PRO 187 2.429 15.154 4.351 1.00001.00 N ATOM 2902 CA PRO 187 3.597 16.031 4.289 1.00001.00 C ATOM 2903 HA PRO 187 3.872 16.318 5.304 1.00001.00 H ATOM 2904 CB PRO 187 4.725 15.188 3.673 1.00001.00 C ATOM 2905 HB1 PRO 187 5.674 15.387 4.171 1.00001.00 H ATOM 2906 HB2 PRO 187 4.824 15.394 2.606 1.00001.00 H ATOM 2907 CG PRO 187 4.281 13.747 3.906 1.00001.00 C ATOM 2908 HG1 PRO 187 4.543 13.403 4.907 1.00001.00 H ATOM 2909 HG2 PRO 187 4.709 13.070 3.167 1.00001.00 H ATOM 2910 CD PRO 187 2.775 13.881 3.737 1.00001.00 C ATOM 2911 HD1 PRO 187 2.260 13.062 4.241 1.00001.00 H ATOM 2912 HD2 PRO 187 2.508 13.881 2.680 1.00001.00 H ATOM 2913 C PRO 187 3.337 17.302 3.474 1.00001.00 C ATOM 2914 O PRO 187 3.863 18.362 3.815 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 9.456 8.662 15.322 1.00001.00 H ATOM 3193 HB2 TYR 205 9.068 9.579 13.847 1.00001.00 H ATOM 3194 CG TYR 205 10.736 8.277 13.673 1.00001.00 C ATOM 3195 CD1 TYR 205 11.016 6.982 13.196 1.00001.00 C ATOM 3196 HD1 TYR 205 10.242 6.214 13.212 1.00001.00 H ATOM 3197 CD2 TYR 205 11.729 9.274 13.637 1.00001.00 C ATOM 3198 HD2 TYR 205 11.506 10.275 14.006 1.00001.00 H ATOM 3199 CE1 TYR 205 12.298 6.681 12.700 1.00001.00 C ATOM 3200 HE1 TYR 205 12.524 5.674 12.349 1.00001.00 H ATOM 3201 CE2 TYR 205 13.006 8.979 13.129 1.00001.00 C ATOM 3202 HE2 TYR 205 13.776 9.751 13.099 1.00001.00 H ATOM 3203 CZ TYR 205 13.290 7.682 12.656 1.00001.00 C ATOM 3204 OH TYR 205 14.517 7.408 12.137 1.00001.00 O ATOM 3205 HH TYR 205 14.710 6.521 11.795 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3238 N CYS 208 5.847 3.638 13.373 1.00001.00 N ATOM 3239 HN CYS 208 5.851 4.637 13.419 1.00001.00 H ATOM 3240 CA CYS 208 6.485 3.035 12.214 1.00001.00 C ATOM 3241 HA CYS 208 5.748 2.440 11.674 1.00001.00 H ATOM 3242 CB CYS 208 6.961 4.119 11.242 1.00001.00 C ATOM 3243 HB1 CYS 208 7.651 3.668 10.529 1.00001.00 H ATOM 3244 HB2 CYS 208 7.480 4.893 11.810 1.00001.00 H ATOM 3245 SG CYS 208 5.603 4.891 10.323 1.00001.00 S ATOM 3246 HG CYS 208 5.295 4.137 9.261 1.00001.00 H ATOM 3247 C CYS 208 7.656 2.131 12.613 1.00001.00 C ATOM 3248 O CYS 208 7.770 1.050 12.056 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.564 -0.444 13.727 1.00001.00 H ATOM 3293 HB2 MET 211 3.282 -1.520 12.337 1.00001.00 H ATOM 3294 CG MET 211 4.550 0.164 11.915 1.00001.00 C ATOM 3295 HG1 MET 211 5.012 -0.305 11.046 1.00001.00 H ATOM 3296 HG2 MET 211 5.291 0.772 12.434 1.00001.00 H ATOM 3297 SD MET 211 3.210 1.189 11.390 1.00001.00 S ATOM 3298 CE MET 211 4.022 2.522 10.477 1.00001.00 C ATOM 3299 HE1 MET 211 3.269 3.120 9.963 1.00001.00 H ATOM 3300 HE2 MET 211 4.710 2.097 9.747 1.00001.00 H ATOM 3301 HE3 MET 211 4.575 3.154 11.171 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 9.681 -1.491 9.550 1.00001.00 H ATOM 3310 HB2 LEU 212 8.959 -0.271 10.627 1.00001.00 H ATOM 3311 CG LEU 212 8.008 -0.444 8.714 1.00001.00 C ATOM 3312 HG LEU 212 7.816 -1.236 7.990 1.00001.00 H ATOM 3313 CD1 LEU 212 6.676 0.230 9.038 1.00001.00 C ATOM 3314 1HD1 LEU 212 6.671 0.541 10.083 1.00001.00 H ATOM 3315 2HD1 LEU 212 5.862 -0.474 8.866 1.00001.00 H ATOM 3316 3HD1 LEU 212 6.544 1.102 8.399 1.00001.00 H ATOM 3317 CD2 LEU 212 8.924 0.594 8.059 1.00001.00 C ATOM 3318 1HD2 LEU 212 8.547 1.595 8.268 1.00001.00 H ATOM 3319 2HD2 LEU 212 8.944 0.432 6.981 1.00001.00 H ATOM 3320 3HD2 LEU 212 9.932 0.493 8.460 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 6.440 -2.594 3.420 1.00001.00 H ATOM 4019 HB2 LEU 256 7.551 -3.778 2.689 1.00001.00 H ATOM 4020 CG LEU 256 6.068 -2.995 1.335 1.00001.00 C ATOM 4021 HG LEU 256 6.636 -2.964 0.406 1.00001.00 H ATOM 4022 CD1 LEU 256 5.359 -4.325 1.454 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.823 -4.369 2.403 1.00001.00 H ATOM 4024 2HD1 LEU 256 6.091 -5.132 1.414 1.00001.00 H ATOM 4025 3HD1 LEU 256 4.652 -4.435 0.632 1.00001.00 H ATOM 4026 CD2 LEU 256 5.019 -1.884 1.282 1.00001.00 C ATOM 4027 1HD2 LEU 256 4.548 -1.782 2.260 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.263 -2.134 0.538 1.00001.00 H ATOM 4029 3HD2 LEU 256 5.500 -0.944 1.010 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.816 -2.503 6.712 1.00001.00 H ATOM 4038 HB2 PHE 257 11.755 -3.298 5.121 1.00001.00 H ATOM 4039 CG PHE 257 10.306 -3.986 6.515 1.00001.00 C ATOM 4040 CD1 PHE 257 9.822 -3.866 7.831 1.00001.00 C ATOM 4041 HD1 PHE 257 10.076 -2.993 8.432 1.00001.00 H ATOM 4042 CD2 PHE 257 9.948 -5.105 5.743 1.00001.00 C ATOM 4043 HD2 PHE 257 10.275 -5.168 4.704 1.00001.00 H ATOM 4044 CE1 PHE 257 9.011 -4.877 8.372 1.00001.00 C ATOM 4045 HE1 PHE 257 8.600 -4.767 9.375 1.00001.00 H ATOM 4046 CE2 PHE 257 9.175 -6.134 6.297 1.00001.00 C ATOM 4047 HE2 PHE 257 8.920 -7.012 5.703 1.00001.00 H ATOM 4048 CZ PHE 257 8.729 -6.031 7.622 1.00001.00 C ATOM 4049 HZ PHE 257 8.163 -6.847 8.071 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 7.949 1.951 2.390 1.00001.00 H ATOM 4065 HB2 ALA 259 8.977 2.389 1.005 1.00001.00 H ATOM 4066 HB3 ALA 259 7.958 3.624 1.782 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 7.569 1.621 8.199 1.00001.00 H ATOM 4075 HB2 SER 260 8.701 0.692 7.186 1.00001.00 H ATOM 4076 OG SER 260 6.785 0.813 6.496 1.00001.00 O ATOM 4077 HG SER 260 5.954 1.104 6.904 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.933 3.230 7.802 1.00001.00 H ATOM 4086 HB2 PHE 261 13.001 2.141 6.749 1.00001.00 H ATOM 4087 CG PHE 261 13.214 1.468 8.759 1.00001.00 C ATOM 4088 CD1 PHE 261 13.941 1.685 9.945 1.00001.00 C ATOM 4089 HD1 PHE 261 14.426 2.647 10.118 1.00001.00 H ATOM 4090 CD2 PHE 261 12.593 0.226 8.538 1.00001.00 C ATOM 4091 HD2 PHE 261 12.029 0.056 7.620 1.00001.00 H ATOM 4092 CE1 PHE 261 14.044 0.666 10.908 1.00001.00 C ATOM 4093 HE1 PHE 261 14.603 0.838 11.826 1.00001.00 H ATOM 4094 CE2 PHE 261 12.698 -0.796 9.498 1.00001.00 C ATOM 4095 HE2 PHE 261 12.218 -1.759 9.323 1.00001.00 H ATOM 4096 CZ PHE 261 13.422 -0.577 10.683 1.00001.00 C ATOM 4097 HZ PHE 261 13.500 -1.368 11.429 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.135 6.198 3.840 1.00001.00 H ATOM 4106 HB2 TYR 262 12.841 5.689 3.881 1.00001.00 H ATOM 4107 CG TYR 262 12.540 7.766 3.555 1.00001.00 C ATOM 4108 CD1 TYR 262 11.556 8.704 3.183 1.00001.00 C ATOM 4109 HD1 TYR 262 10.502 8.485 3.354 1.00001.00 H ATOM 4110 CD2 TYR 262 13.905 8.060 3.373 1.00001.00 C ATOM 4111 HD2 TYR 262 14.664 7.346 3.691 1.00001.00 H ATOM 4112 CE1 TYR 262 11.935 9.922 2.588 1.00001.00 C ATOM 4113 HE1 TYR 262 11.179 10.651 2.297 1.00001.00 H ATOM 4114 CE2 TYR 262 14.286 9.276 2.782 1.00001.00 C ATOM 4115 HE2 TYR 262 15.341 9.512 2.639 1.00001.00 H ATOM 4116 CZ TYR 262 13.297 10.194 2.372 1.00001.00 C ATOM 4117 OH TYR 262 13.669 11.334 1.748 1.00001.00 O ATOM 4118 HH TYR 262 14.610 11.521 1.600 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.284 6.618 6.282 1.00001.00 H ATOM 4127 CG1 THR 263 6.347 8.463 5.757 1.00001.00 C ATOM 4128 1HG1 THR 263 5.970 8.511 6.780 1.00001.00 H ATOM 4129 2HG1 THR 263 5.556 8.109 5.095 1.00001.00 H ATOM 4130 3HG1 THR 263 6.668 9.456 5.441 1.00001.00 H ATOM 4131 OG2 THR 263 7.686 7.177 4.336 1.00001.00 O ATOM 4132 HG2 THR 263 8.106 6.306 4.259 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.877 6.743 11.327 1.00001.00 H ATOM 4141 HB2 TYR 264 8.300 5.789 9.886 1.00001.00 H ATOM 4142 CG TYR 264 6.501 6.915 9.711 1.00001.00 C ATOM 4143 CD1 TYR 264 5.538 7.559 10.508 1.00001.00 C ATOM 4144 HD1 TYR 264 5.807 7.928 11.498 1.00001.00 H ATOM 4145 CD2 TYR 264 6.149 6.443 8.430 1.00001.00 C ATOM 4146 HD2 TYR 264 6.896 5.938 7.817 1.00001.00 H ATOM 4147 CE1 TYR 264 4.224 7.727 10.029 1.00001.00 C ATOM 4148 HE1 TYR 264 3.480 8.220 10.654 1.00001.00 H ATOM 4149 CE2 TYR 264 4.839 6.620 7.943 1.00001.00 C ATOM 4150 HE2 TYR 264 4.570 6.264 6.946 1.00001.00 H ATOM 4151 CZ TYR 264 3.872 7.262 8.746 1.00001.00 C ATOM 4152 OH TYR 264 2.597 7.443 8.311 1.00001.00 O ATOM 4153 HH TYR 264 2.335 7.129 7.432 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4156 N MET 265 11.461 7.544 10.081 1.00001.00 N ATOM 4157 HN MET 265 11.496 7.073 9.199 1.00001.00 H ATOM 4158 CA MET 265 12.660 7.470 10.929 1.00001.00 C ATOM 4159 HA MET 265 12.395 7.789 11.936 1.00001.00 H ATOM 4160 CB MET 265 13.142 6.017 11.067 1.00001.00 C ATOM 4161 HB1 MET 265 14.063 6.008 11.649 1.00001.00 H ATOM 4162 HB2 MET 265 13.339 5.619 10.071 1.00001.00 H ATOM 4163 CG MET 265 12.118 5.120 11.758 1.00001.00 C ATOM 4164 HG1 MET 265 12.487 4.095 11.743 1.00001.00 H ATOM 4165 HG2 MET 265 11.178 5.175 11.208 1.00001.00 H ATOM 4166 SD MET 265 11.812 5.598 13.475 1.00001.00 S ATOM 4167 CE MET 265 10.552 4.383 13.898 1.00001.00 C ATOM 4168 HE1 MET 265 9.687 4.517 13.249 1.00001.00 H ATOM 4169 HE2 MET 265 10.252 4.519 14.937 1.00001.00 H ATOM 4170 HE3 MET 265 10.955 3.380 13.765 1.00001.00 H ATOM 4171 C MET 265 13.798 8.349 10.424 1.00001.00 C ATOM 4172 O MET 265 14.578 8.865 11.231 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 6.054 2.155 -3.556 1.00001.00 H ATOM 4441 HB2 TYR 283 4.574 1.825 -2.623 1.00001.00 H ATOM 4442 CG TYR 283 4.987 3.876 -2.944 1.00001.00 C ATOM 4443 CD1 TYR 283 6.138 4.686 -2.994 1.00001.00 C ATOM 4444 HD1 TYR 283 7.063 4.281 -3.405 1.00001.00 H ATOM 4445 CD2 TYR 283 3.806 4.379 -2.379 1.00001.00 C ATOM 4446 HD2 TYR 283 2.932 3.738 -2.269 1.00001.00 H ATOM 4447 CE1 TYR 283 6.099 6.012 -2.516 1.00001.00 C ATOM 4448 HE1 TYR 283 7.006 6.616 -2.494 1.00001.00 H ATOM 4449 CE2 TYR 283 3.755 5.712 -1.954 1.00001.00 C ATOM 4450 HE2 TYR 283 2.825 6.094 -1.531 1.00001.00 H ATOM 4451 CZ TYR 283 4.879 6.557 -2.066 1.00001.00 C ATOM 4452 OH TYR 283 4.768 7.871 -1.735 1.00001.00 O ATOM 4453 HH TYR 283 5.539 8.455 -1.808 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O TER END Pose: 5 Node: 0 # Binding energies BENERG: Tyr78: -0.183121 Met106: -0.622532 Phe107: -0.0258405 Phe108: -0.0988172 His109: 3.13767 Leu110: -0.43333 Thr111: -0.104143 Leu112: -0.183338 Ala113: 0.660926 Glu116: -0.583607 Val117: -0.44153 Phe118: -0.00317699 Glu185: -0.490557 Thr186: -0.629345 Tyr205: -0.0112791 Met211: -0.494982 Leu212: -0.521158 Leu255: 0.610948 Leu256: -0.725813 Phe257: 0.253309 Ala259: 2.20791 Ser260: 4.38645 Phe261: -0.268744 Tyr262: -0.536126 Thr263: 0.265295 Tyr264: -0.826685 Met265: -0.0872466 Tyr283: 0.581262 Total ionic: -0 Total H-bond: -0.523967 Total pi stack: -0.235616 Total polar-pi and cation-pi: -0.397747 Total metal coordination: -0 Total van der Waals: -9.7302 Total: 4.8324 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 100.853 Proximity: 0.650331 Protein clashes: -31.6147 # van der Waals repulsion vdWRPL: His109: 3.1144 Leu110: 0.89255 Ala113: 1.64344 Val117: 0.0589712 Thr186: 0.00839807 Leu212: 0.0114427 Leu256: 0.312898 Ala259: 1.98027 Ser260: 3.03922 Thr263: 1.81121 Tyr264: 5.74799 Tyr283: 0.0159339 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 5.944 4.525 2.051 1.00001.00 O HETATM 9001 C2 LIG 0 5.860 3.634 4.323 1.00001.00 C HETATM 9002 C3 LIG 0 4.539 3.579 5.131 1.00001.00 C HETATM 9003 C4 LIG 0 3.590 4.738 4.925 1.00001.00 C HETATM 9004 C5 LIG 0 6.737 4.831 4.717 1.00001.00 C HETATM 9005 C6 LIG 0 6.649 2.338 4.581 1.00001.00 C HETATM 9006 C7 LIG 0 5.548 3.663 2.829 1.00001.00 C HETATM 9007 C8 LIG 0 3.209 5.504 6.014 1.00001.00 C HETATM 9008 C9 LIG 0 3.122 5.010 3.650 1.00001.00 C HETATM 9009 C10 LIG 0 1.853 6.861 4.546 1.00001.00 C HETATM 9010 C11 LIG 0 2.334 6.573 5.823 1.00001.00 C HETATM 9011 C12 LIG 0 2.246 6.080 3.460 1.00001.00 C HETATM 9012 C13 LIG 0 0.918 8.005 4.342 1.00001.00 C HETATM 9013 C14 LIG 0 -0.391 7.575 3.685 1.00001.00 C HETATM 9014 H15 LIG 0 4.767 3.497 6.203 1.00001.00 H HETATM 9015 H16 LIG 0 3.998 2.653 4.890 1.00001.00 H HETATM 9016 H17 LIG 0 7.707 4.793 4.208 1.00001.00 H HETATM 9017 H18 LIG 0 6.928 4.844 5.796 1.00001.00 H HETATM 9018 H19 LIG 0 6.275 5.784 4.440 1.00001.00 H HETATM 9019 H20 LIG 0 6.067 1.453 4.300 1.00001.00 H HETATM 9020 H21 LIG 0 7.574 2.314 3.993 1.00001.00 H HETATM 9021 H22 LIG 0 6.918 2.242 5.638 1.00001.00 H HETATM 9022 H23 LIG 0 4.928 2.827 2.459 1.00001.00 H HETATM 9023 H24 LIG 0 3.580 5.292 7.012 1.00001.00 H HETATM 9024 H25 LIG 0 3.423 4.409 2.797 1.00001.00 H HETATM 9025 H26 LIG 0 2.034 7.174 6.678 1.00001.00 H HETATM 9026 H27 LIG 0 1.877 6.293 2.460 1.00001.00 H HETATM 9027 H28 LIG 0 0.701 8.487 5.303 1.00001.00 H HETATM 9028 H29 LIG 0 1.398 8.776 3.726 1.00001.00 H HETATM 9029 H30 LIG 0 -1.056 7.089 4.407 1.00001.00 H HETATM 9030 H31 LIG 0 -0.193 6.866 2.875 1.00001.00 H HETATM 9031 H32 LIG 0 -0.923 8.434 3.263 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.302 0.757 -2.435 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.025 -0.163 -1.094 1.00001.00 H ATOM 1216 CG TYR 78 -3.699 1.379 -0.502 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.059 2.589 -0.827 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.347 3.145 -1.721 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.326 0.652 0.646 1.00001.00 C ATOM 1220 HD2 TYR 78 -3.841 -0.273 0.905 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.049 3.082 0.007 1.00001.00 C ATOM 1222 HE1 TYR 78 -1.572 4.036 -0.213 1.00001.00 H ATOM 1223 CE2 TYR 78 -2.285 1.128 1.460 1.00001.00 C ATOM 1224 HE2 TYR 78 -1.968 0.569 2.340 1.00001.00 H ATOM 1225 CZ TYR 78 -1.649 2.338 1.130 1.00001.00 C ATOM 1226 OH TYR 78 -0.606 2.785 1.851 1.00001.00 O ATOM 1227 HH TYR 78 -0.309 2.291 2.632 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.335 12.694 6.275 1.00001.00 H ATOM 1614 HB2 MET 106 -4.524 13.127 4.751 1.00001.00 H ATOM 1615 CG MET 106 -3.201 12.512 6.320 1.00001.00 C ATOM 1616 HG1 MET 106 -2.406 12.231 5.630 1.00001.00 H ATOM 1617 HG2 MET 106 -3.221 11.814 7.157 1.00001.00 H ATOM 1618 SD MET 106 -2.845 14.172 6.963 1.00001.00 S ATOM 1619 CE MET 106 -2.228 13.787 8.616 1.00001.00 C ATOM 1620 HE1 MET 106 -1.463 13.014 8.547 1.00001.00 H ATOM 1621 HE2 MET 106 -3.050 13.430 9.237 1.00001.00 H ATOM 1622 HE3 MET 106 -1.799 14.684 9.062 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.726 8.944 7.385 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.169 10.244 8.466 1.00001.00 H ATOM 1632 CG PHE 107 -8.440 8.359 9.410 1.00001.00 C ATOM 1633 CD1 PHE 107 -9.079 7.113 9.238 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.349 6.774 8.239 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.069 8.788 10.693 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.575 9.751 10.828 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.365 6.313 10.355 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.870 5.355 10.229 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.336 7.976 11.803 1.00001.00 C ATOM 1640 HE2 PHE 107 -8.026 8.299 12.798 1.00001.00 H ATOM 1641 CZ PHE 107 -9.000 6.749 11.639 1.00001.00 C ATOM 1642 HZ PHE 107 -9.231 6.134 12.510 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.653 4.770 3.816 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.666 6.536 3.599 1.00001.00 H ATOM 1652 CG PHE 108 -9.334 5.759 4.665 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.974 4.575 5.076 1.00001.00 C ATOM 1654 HD1 PHE 108 -9.411 3.644 5.131 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.066 6.956 4.580 1.00001.00 C ATOM 1656 HD2 PHE 108 -9.575 7.871 4.250 1.00001.00 H ATOM 1657 CE1 PHE 108 -11.339 4.591 5.413 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.832 3.674 5.735 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.431 6.973 4.917 1.00001.00 C ATOM 1660 HE2 PHE 108 -11.997 7.902 4.853 1.00001.00 H ATOM 1661 CZ PHE 108 -12.065 5.791 5.338 1.00001.00 C ATOM 1662 HZ PHE 108 -13.122 5.806 5.606 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -1.991 7.967 3.889 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.678 8.410 3.532 1.00001.00 H ATOM 1672 CG HIS 109 -2.650 7.462 1.941 1.00001.00 C ATOM 1673 CD2 HIS 109 -1.425 7.414 1.330 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.410 7.449 1.725 1.00001.00 H ATOM 1675 ND1 HIS 109 -3.600 7.374 0.955 1.00001.00 N ATOM 1676 CE1 HIS 109 -2.959 7.298 -0.221 1.00001.00 C ATOM 1677 HE1 HIS 109 -3.373 7.244 -1.228 1.00001.00 H ATOM 1678 NE2 HIS 109 -1.634 7.297 -0.041 1.00001.00 N ATOM 1679 HE2 HIS 109 -0.854 7.235 -0.662 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -1.391 7.462 9.466 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.984 7.813 8.757 1.00001.00 H ATOM 1689 CG LEU 110 -1.386 9.038 8.007 1.00001.00 C ATOM 1690 HG LEU 110 -1.802 9.227 7.016 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.798 10.158 8.955 1.00001.00 C ATOM 1692 1HD1 LEU 110 -1.422 11.109 8.578 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.382 9.970 9.944 1.00001.00 H ATOM 1694 3HD1 LEU 110 -2.886 10.197 9.018 1.00001.00 H ATOM 1695 CD2 LEU 110 0.140 9.056 7.903 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.470 10.039 7.567 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.465 8.300 7.187 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.573 8.842 8.880 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.785 3.671 7.832 1.00001.00 H ATOM 1707 CG1 THR 111 -6.039 2.359 9.499 1.00001.00 C ATOM 1708 1HG1 THR 111 -7.127 2.435 9.506 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.675 2.263 10.523 1.00001.00 H ATOM 1710 3HG1 THR 111 -5.738 1.485 8.924 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.723 9.562 1.00001.00 O ATOM 1712 HG2 THR 111 -6.265 5.390 8.928 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.006 0.874 3.867 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.167 2.611 4.215 1.00001.00 H ATOM 1722 CG LEU 112 -4.999 1.504 4.343 1.00001.00 C ATOM 1723 HG LEU 112 -5.495 1.995 5.181 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.420 2.177 3.038 1.00001.00 C ATOM 1725 1HD1 LEU 112 -4.824 1.781 2.215 1.00001.00 H ATOM 1726 2HD1 LEU 112 -5.263 3.252 3.116 1.00001.00 H ATOM 1727 3HD1 LEU 112 -6.476 1.977 2.848 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.488 0.065 4.322 1.00001.00 C ATOM 1729 1HD2 LEU 112 -6.571 0.049 4.450 1.00001.00 H ATOM 1730 2HD2 LEU 112 -5.018 -0.490 5.133 1.00001.00 H ATOM 1731 3HD2 LEU 112 -5.228 -0.393 3.369 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 2.339 3.836 6.115 1.00001.00 H ATOM 1740 HB2 ALA 113 0.920 4.326 7.070 1.00001.00 H ATOM 1741 HB3 ALA 113 0.856 4.377 5.292 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 1.799 -1.396 5.274 1.00001.00 H ATOM 1767 HB2 GLU 116 0.121 -1.823 4.863 1.00001.00 H ATOM 1768 CG GLU 116 1.606 -3.101 3.980 1.00001.00 C ATOM 1769 HG1 GLU 116 0.941 -3.959 3.885 1.00001.00 H ATOM 1770 HG2 GLU 116 2.610 -3.446 4.226 1.00001.00 H ATOM 1771 CD GLU 116 1.662 -2.380 2.624 1.00001.00 C ATOM 1772 OE1 GLU 116 0.886 -2.808 1.739 1.00001.00 O ATOM 1773 OE2 GLU 116 2.488 -1.453 2.472 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.140 -0.869 9.541 1.00001.00 H ATOM 1782 CG1 VAL 117 6.193 -1.478 9.627 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.136 -2.383 10.233 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.359 -0.618 10.276 1.00001.00 H ATOM 1785 3HG1 VAL 117 7.017 -1.564 8.919 1.00001.00 H ATOM 1786 CG2 VAL 117 5.214 -0.301 7.744 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.372 -0.234 7.056 1.00001.00 H ATOM 1788 2HG2 VAL 117 6.097 -0.646 7.203 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.413 0.681 8.173 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 1.229 -5.110 12.361 1.00001.00 H ATOM 1798 HB2 PHE 118 1.463 -3.414 11.872 1.00001.00 H ATOM 1799 CG PHE 118 2.531 -3.993 13.618 1.00001.00 C ATOM 1800 CD1 PHE 118 3.020 -5.030 14.432 1.00001.00 C ATOM 1801 HD1 PHE 118 2.954 -6.065 14.094 1.00001.00 H ATOM 1802 CD2 PHE 118 2.587 -2.665 14.076 1.00001.00 C ATOM 1803 HD2 PHE 118 2.160 -1.865 13.471 1.00001.00 H ATOM 1804 CE1 PHE 118 3.596 -4.737 15.682 1.00001.00 C ATOM 1805 HE1 PHE 118 3.966 -5.542 16.316 1.00001.00 H ATOM 1806 CE2 PHE 118 3.189 -2.366 15.309 1.00001.00 C ATOM 1807 HE2 PHE 118 3.268 -1.331 15.642 1.00001.00 H ATOM 1808 CZ PHE 118 3.691 -3.403 16.113 1.00001.00 C ATOM 1809 HZ PHE 118 4.156 -3.173 17.072 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2527 N LEU 164 -2.540 9.472 14.392 1.00001.00 N ATOM 2528 HN LEU 164 -2.573 8.519 14.092 1.00001.00 H ATOM 2529 CA LEU 164 -1.904 10.439 13.500 1.00001.00 C ATOM 2530 HA LEU 164 -1.325 11.139 14.103 1.00001.00 H ATOM 2531 CB LEU 164 -0.884 9.709 12.614 1.00001.00 C ATOM 2532 HB1 LEU 164 -1.357 9.510 11.653 1.00001.00 H ATOM 2533 HB2 LEU 164 -0.636 8.765 13.099 1.00001.00 H ATOM 2534 CG LEU 164 0.432 10.465 12.348 1.00001.00 C ATOM 2535 HG LEU 164 0.791 10.913 13.274 1.00001.00 H ATOM 2536 CD1 LEU 164 1.474 9.481 11.817 1.00001.00 C ATOM 2537 1HD1 LEU 164 2.414 10.005 11.643 1.00001.00 H ATOM 2538 2HD1 LEU 164 1.122 9.047 10.882 1.00001.00 H ATOM 2539 3HD1 LEU 164 1.630 8.688 12.549 1.00001.00 H ATOM 2540 CD2 LEU 164 0.263 11.586 11.316 1.00001.00 C ATOM 2541 1HD2 LEU 164 -0.231 12.438 11.782 1.00001.00 H ATOM 2542 2HD2 LEU 164 -0.343 11.224 10.485 1.00001.00 H ATOM 2543 3HD2 LEU 164 1.243 11.890 10.947 1.00001.00 H ATOM 2544 C LEU 164 -2.913 11.230 12.666 1.00001.00 C ATOM 2545 O LEU 164 -2.670 12.411 12.401 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.305 14.516 0.035 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.858 13.403 -0.724 1.00001.00 H ATOM 2879 CG GLU 185 0.692 12.432 0.413 1.00001.00 C ATOM 2880 HG1 GLU 185 0.106 11.525 0.567 1.00001.00 H ATOM 2881 HG2 GLU 185 1.277 12.642 1.309 1.00001.00 H ATOM 2882 CD GLU 185 1.658 12.196 -0.756 1.00001.00 C ATOM 2883 OE1 GLU 185 1.257 11.469 -1.689 1.00001.00 O ATOM 2884 OE2 GLU 185 2.770 12.778 -0.752 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.153 12.984 5.874 1.00001.00 H ATOM 2893 CG1 THR 186 0.303 14.173 7.446 1.00001.00 C ATOM 2894 1HG1 THR 186 1.218 14.761 7.510 1.00001.00 H ATOM 2895 2HG1 THR 186 0.310 13.406 8.221 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.559 14.824 7.587 1.00001.00 H ATOM 2897 OG2 THR 186 -0.810 12.552 6.080 1.00001.00 O ATOM 2898 HG2 THR 186 -0.528 11.771 5.578 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 9.177 9.522 13.673 1.00001.00 H ATOM 3193 HB2 TYR 205 10.339 8.199 13.939 1.00001.00 H ATOM 3194 CG TYR 205 9.438 8.962 15.704 1.00001.00 C ATOM 3195 CD1 TYR 205 8.578 9.940 16.241 1.00001.00 C ATOM 3196 HD1 TYR 205 7.845 10.434 15.602 1.00001.00 H ATOM 3197 CD2 TYR 205 10.372 8.311 16.531 1.00001.00 C ATOM 3198 HD2 TYR 205 11.034 7.554 16.111 1.00001.00 H ATOM 3199 CE1 TYR 205 8.668 10.279 17.603 1.00001.00 C ATOM 3200 HE1 TYR 205 8.017 11.050 18.018 1.00001.00 H ATOM 3201 CE2 TYR 205 10.454 8.639 17.896 1.00001.00 C ATOM 3202 HE2 TYR 205 11.176 8.134 18.538 1.00001.00 H ATOM 3203 CZ TYR 205 9.599 9.621 18.433 1.00001.00 C ATOM 3204 OH TYR 205 9.659 9.914 19.760 1.00001.00 O ATOM 3205 HH TYR 205 9.060 10.577 20.137 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.572 -0.434 13.726 1.00001.00 H ATOM 3293 HB2 MET 211 3.275 -1.523 12.349 1.00001.00 H ATOM 3294 CG MET 211 4.546 0.152 11.900 1.00001.00 C ATOM 3295 HG1 MET 211 4.779 -0.304 10.938 1.00001.00 H ATOM 3296 HG2 MET 211 5.449 0.602 12.314 1.00001.00 H ATOM 3297 SD MET 211 3.314 1.398 11.680 1.00001.00 S ATOM 3298 CE MET 211 4.272 2.902 11.380 1.00001.00 C ATOM 3299 HE1 MET 211 5.151 2.659 10.782 1.00001.00 H ATOM 3300 HE2 MET 211 4.587 3.329 12.332 1.00001.00 H ATOM 3301 HE3 MET 211 3.657 3.624 10.845 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 8.541 -1.170 8.848 1.00001.00 H ATOM 3310 HB2 LEU 212 9.809 -1.213 10.097 1.00001.00 H ATOM 3311 CG LEU 212 8.385 0.372 10.329 1.00001.00 C ATOM 3312 HG LEU 212 7.320 0.516 10.149 1.00001.00 H ATOM 3313 CD1 LEU 212 8.668 0.726 11.787 1.00001.00 C ATOM 3314 1HD1 LEU 212 9.474 1.460 11.833 1.00001.00 H ATOM 3315 2HD1 LEU 212 8.966 -0.172 12.328 1.00001.00 H ATOM 3316 3HD1 LEU 212 7.771 1.144 12.241 1.00001.00 H ATOM 3317 CD2 LEU 212 9.160 1.348 9.439 1.00001.00 C ATOM 3318 1HD2 LEU 212 9.150 2.339 9.892 1.00001.00 H ATOM 3319 2HD2 LEU 212 8.690 1.395 8.456 1.00001.00 H ATOM 3320 3HD2 LEU 212 10.189 1.006 9.333 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 3994 N LEU 255 11.412 -3.050 -0.036 1.00001.00 N ATOM 3995 HN LEU 255 11.227 -3.921 -0.489 1.00001.00 H ATOM 3996 CA LEU 255 10.678 -1.878 -0.509 1.00001.00 C ATOM 3997 HA LEU 255 11.392 -1.111 -0.811 1.00001.00 H ATOM 3998 CB LEU 255 9.881 -2.249 -1.771 1.00001.00 C ATOM 3999 HB1 LEU 255 9.190 -1.434 -1.987 1.00001.00 H ATOM 4000 HB2 LEU 255 9.316 -3.157 -1.559 1.00001.00 H ATOM 4001 CG LEU 255 10.736 -2.500 -3.028 1.00001.00 C ATOM 4002 HG LEU 255 11.445 -3.303 -2.830 1.00001.00 H ATOM 4003 CD1 LEU 255 9.828 -2.896 -4.194 1.00001.00 C ATOM 4004 1HD1 LEU 255 9.298 -3.816 -3.945 1.00001.00 H ATOM 4005 2HD1 LEU 255 10.433 -3.057 -5.087 1.00001.00 H ATOM 4006 3HD1 LEU 255 9.108 -2.101 -4.382 1.00001.00 H ATOM 4007 CD2 LEU 255 11.604 -1.305 -3.432 1.00001.00 C ATOM 4008 1HD2 LEU 255 12.610 -1.435 -3.033 1.00001.00 H ATOM 4009 2HD2 LEU 255 11.170 -0.388 -3.033 1.00001.00 H ATOM 4010 3HD2 LEU 255 11.650 -1.240 -4.520 1.00001.00 H ATOM 4011 C LEU 255 9.769 -1.308 0.586 1.00001.00 C ATOM 4012 O LEU 255 9.814 -0.107 0.845 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 7.340 -3.433 3.387 1.00001.00 H ATOM 4019 HB2 LEU 256 6.973 -3.472 1.645 1.00001.00 H ATOM 4020 CG LEU 256 5.624 -2.263 2.812 1.00001.00 C ATOM 4021 HG LEU 256 5.427 -1.430 2.138 1.00001.00 H ATOM 4022 CD1 LEU 256 4.599 -3.352 2.589 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.852 -4.220 3.199 1.00001.00 H ATOM 4024 2HD1 LEU 256 4.595 -3.637 1.537 1.00001.00 H ATOM 4025 3HD1 LEU 256 3.612 -2.986 2.871 1.00001.00 H ATOM 4026 CD2 LEU 256 5.487 -1.748 4.245 1.00001.00 C ATOM 4027 1HD2 LEU 256 5.762 -2.539 4.944 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.456 -1.445 4.426 1.00001.00 H ATOM 4029 3HD2 LEU 256 6.147 -0.892 4.388 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.766 -2.516 6.757 1.00001.00 H ATOM 4038 HB2 PHE 257 11.804 -3.255 5.139 1.00001.00 H ATOM 4039 CG PHE 257 10.306 -4.025 6.433 1.00001.00 C ATOM 4040 CD1 PHE 257 9.665 -3.917 7.681 1.00001.00 C ATOM 4041 HD1 PHE 257 9.797 -3.023 8.290 1.00001.00 H ATOM 4042 CD2 PHE 257 10.103 -5.172 5.646 1.00001.00 C ATOM 4043 HD2 PHE 257 10.553 -5.230 4.654 1.00001.00 H ATOM 4044 CE1 PHE 257 8.852 -4.966 8.143 1.00001.00 C ATOM 4045 HE1 PHE 257 8.321 -4.866 9.089 1.00001.00 H ATOM 4046 CE2 PHE 257 9.328 -6.237 6.126 1.00001.00 C ATOM 4047 HE2 PHE 257 9.194 -7.135 5.524 1.00001.00 H ATOM 4048 CZ PHE 257 8.725 -6.143 7.388 1.00001.00 C ATOM 4049 HZ PHE 257 8.156 -6.984 7.784 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 8.011 1.882 2.340 1.00001.00 H ATOM 4065 HB2 ALA 259 8.974 2.489 0.973 1.00001.00 H ATOM 4066 HB3 ALA 259 7.899 3.593 1.864 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 8.744 0.876 7.572 1.00001.00 H ATOM 4075 HB2 SER 260 7.382 0.774 6.429 1.00001.00 H ATOM 4076 OG SER 260 6.969 1.642 8.229 1.00001.00 O ATOM 4077 HG SER 260 6.077 1.767 7.868 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.466 2.822 6.761 1.00001.00 H ATOM 4086 HB2 PHE 261 12.776 1.530 7.771 1.00001.00 H ATOM 4087 CG PHE 261 14.135 2.821 8.783 1.00001.00 C ATOM 4088 CD1 PHE 261 15.113 3.814 8.578 1.00001.00 C ATOM 4089 HD1 PHE 261 15.118 4.389 7.651 1.00001.00 H ATOM 4090 CD2 PHE 261 14.133 2.080 9.978 1.00001.00 C ATOM 4091 HD2 PHE 261 13.377 1.311 10.139 1.00001.00 H ATOM 4092 CE1 PHE 261 16.082 4.067 9.564 1.00001.00 C ATOM 4093 HE1 PHE 261 16.834 4.838 9.405 1.00001.00 H ATOM 4094 CE2 PHE 261 15.104 2.329 10.964 1.00001.00 C ATOM 4095 HE2 PHE 261 15.102 1.751 11.889 1.00001.00 H ATOM 4096 CZ PHE 261 16.077 3.322 10.759 1.00001.00 C ATOM 4097 HZ PHE 261 16.828 3.517 11.525 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.794 7.418 3.800 1.00001.00 H ATOM 4106 HB2 TYR 262 11.453 5.672 3.865 1.00001.00 H ATOM 4107 CG TYR 262 13.505 6.170 3.629 1.00001.00 C ATOM 4108 CD1 TYR 262 14.325 7.229 3.193 1.00001.00 C ATOM 4109 HD1 TYR 262 13.970 8.258 3.262 1.00001.00 H ATOM 4110 CD2 TYR 262 13.973 4.843 3.580 1.00001.00 C ATOM 4111 HD2 TYR 262 13.348 4.029 3.947 1.00001.00 H ATOM 4112 CE1 TYR 262 15.602 6.959 2.668 1.00001.00 C ATOM 4113 HE1 TYR 262 16.241 7.773 2.328 1.00001.00 H ATOM 4114 CE2 TYR 262 15.248 4.570 3.058 1.00001.00 C ATOM 4115 HE2 TYR 262 15.620 3.545 3.018 1.00001.00 H ATOM 4116 CZ TYR 262 16.051 5.629 2.584 1.00001.00 C ATOM 4117 OH TYR 262 17.250 5.352 2.026 1.00001.00 O ATOM 4118 HH TYR 262 17.559 4.434 1.969 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.261 6.643 6.309 1.00001.00 H ATOM 4127 CG1 THR 263 6.361 8.482 5.705 1.00001.00 C ATOM 4128 1HG1 THR 263 6.137 8.773 6.732 1.00001.00 H ATOM 4129 2HG1 THR 263 5.484 8.005 5.264 1.00001.00 H ATOM 4130 3HG1 THR 263 6.623 9.367 5.125 1.00001.00 H ATOM 4131 OG2 THR 263 7.703 7.127 4.351 1.00001.00 O ATOM 4132 HG2 THR 263 7.840 6.168 4.300 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.959 6.670 11.324 1.00001.00 H ATOM 4141 HB2 TYR 264 8.240 5.804 9.795 1.00001.00 H ATOM 4142 CG TYR 264 6.472 6.990 9.834 1.00001.00 C ATOM 4143 CD1 TYR 264 5.543 7.408 10.804 1.00001.00 C ATOM 4144 HD1 TYR 264 5.860 7.549 11.838 1.00001.00 H ATOM 4145 CD2 TYR 264 6.058 6.813 8.498 1.00001.00 C ATOM 4146 HD2 TYR 264 6.779 6.483 7.750 1.00001.00 H ATOM 4147 CE1 TYR 264 4.203 7.644 10.441 1.00001.00 C ATOM 4148 HE1 TYR 264 3.485 7.960 11.198 1.00001.00 H ATOM 4149 CE2 TYR 264 4.721 7.059 8.129 1.00001.00 C ATOM 4150 HE2 TYR 264 4.405 6.932 7.092 1.00001.00 H ATOM 4151 CZ TYR 264 3.789 7.473 9.105 1.00001.00 C ATOM 4152 OH TYR 264 2.490 7.712 8.786 1.00001.00 O ATOM 4153 HH TYR 264 2.185 7.601 7.872 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4156 N MET 265 11.461 7.544 10.081 1.00001.00 N ATOM 4157 HN MET 265 11.496 7.073 9.199 1.00001.00 H ATOM 4158 CA MET 265 12.660 7.470 10.929 1.00001.00 C ATOM 4159 HA MET 265 12.395 7.789 11.936 1.00001.00 H ATOM 4160 CB MET 265 13.142 6.017 11.067 1.00001.00 C ATOM 4161 HB1 MET 265 14.032 6.002 11.695 1.00001.00 H ATOM 4162 HB2 MET 265 13.392 5.637 10.076 1.00001.00 H ATOM 4163 CG MET 265 12.089 5.104 11.689 1.00001.00 C ATOM 4164 HG1 MET 265 11.196 5.127 11.065 1.00001.00 H ATOM 4165 HG2 MET 265 11.846 5.478 12.684 1.00001.00 H ATOM 4166 SD MET 265 12.645 3.389 11.836 1.00001.00 S ATOM 4167 CE MET 265 11.220 2.556 11.116 1.00001.00 C ATOM 4168 HE1 MET 265 11.455 1.503 10.963 1.00001.00 H ATOM 4169 HE2 MET 265 10.976 3.016 10.159 1.00001.00 H ATOM 4170 HE3 MET 265 10.369 2.644 11.790 1.00001.00 H ATOM 4171 C MET 265 13.798 8.349 10.424 1.00001.00 C ATOM 4172 O MET 265 14.578 8.865 11.231 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 6.068 2.233 -3.582 1.00001.00 H ATOM 4441 HB2 TYR 283 4.630 1.766 -2.642 1.00001.00 H ATOM 4442 CG TYR 283 4.898 3.852 -2.887 1.00001.00 C ATOM 4443 CD1 TYR 283 5.893 4.814 -3.143 1.00001.00 C ATOM 4444 HD1 TYR 283 6.753 4.548 -3.757 1.00001.00 H ATOM 4445 CD2 TYR 283 3.810 4.178 -2.063 1.00001.00 C ATOM 4446 HD2 TYR 283 3.073 3.420 -1.800 1.00001.00 H ATOM 4447 CE1 TYR 283 5.782 6.115 -2.610 1.00001.00 C ATOM 4448 HE1 TYR 283 6.585 6.839 -2.753 1.00001.00 H ATOM 4449 CE2 TYR 283 3.675 5.484 -1.579 1.00001.00 C ATOM 4450 HE2 TYR 283 2.816 5.727 -0.953 1.00001.00 H ATOM 4451 CZ TYR 283 4.627 6.479 -1.889 1.00001.00 C ATOM 4452 OH TYR 283 4.416 7.760 -1.485 1.00001.00 O ATOM 4453 HH TYR 283 5.069 8.446 -1.693 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O TER END Pose: 6 Node: 0 # Binding energies BENERG: Tyr78: -0.161531 Met106: -0.0936577 Phe107: -0.006221 Phe108: -0.0164964 His109: 3.20076 Leu110: -0.638939 Thr111: -0.174168 Leu112: -0.103654 Ala113: 5.10801 Glu116: -0.161365 Val117: -0.491648 Phe118: -0.0452853 Asp160: -0.309334 Glu185: 0.615231 Thr186: -1.18619 Pro187: -0.400936 Tyr205: -0.0365377 Cys208: -0.398739 Met211: -0.404867 Leu212: -0.157753 Leu256: -0.38816 Phe257: -0.0333752 Ala259: -0.59471 Ser260: -0.627882 Phe261: -0.0231917 Tyr262: -0.268905 Thr263: 2.56632 Tyr264: 1.04965 Met265: -0.012235 Tyr283: -0.571683 Total ionic: -0 Total H-bond: -1.01982 Total pi stack: -0.257535 Total polar-pi and cation-pi: -1.56179 Total metal coordination: -0 Total van der Waals: -8.55867 Total: 5.2325 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 88.6153 Proximity: 1.00969 Protein clashes: -59.2478 # van der Waals repulsion vdWRPL: His109: 5.42332 Leu110: 0.498258 Ala113: 3.16673 Val117: 0.0905618 Asp160: 0.0452716 Cys208: 0.545317 Met211: 0.756623 Ala259: 0.0147197 Ser260: 0.096853 Thr263: 1.86765 Tyr264: 8.32376 Tyr283: 0.079538 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 3.645 9.125 3.816 1.00001.00 O HETATM 9001 C2 LIG 0 4.360 7.235 2.444 1.00001.00 C HETATM 9002 C3 LIG 0 3.871 5.791 2.723 1.00001.00 C HETATM 9003 C4 LIG 0 3.700 5.422 4.179 1.00001.00 C HETATM 9004 C5 LIG 0 5.767 7.493 3.000 1.00001.00 C HETATM 9005 C6 LIG 0 4.381 7.463 0.922 1.00001.00 C HETATM 9006 C7 LIG 0 3.361 8.236 3.019 1.00001.00 C HETATM 9007 C8 LIG 0 2.985 6.265 5.013 1.00001.00 C HETATM 9008 C9 LIG 0 4.263 4.247 4.650 1.00001.00 C HETATM 9009 C10 LIG 0 3.388 4.744 6.846 1.00001.00 C HETATM 9010 C11 LIG 0 2.828 5.924 6.356 1.00001.00 C HETATM 9011 C12 LIG 0 4.105 3.906 5.993 1.00001.00 C HETATM 9012 C13 LIG 0 3.219 4.379 8.282 1.00001.00 C HETATM 9013 C14 LIG 0 1.765 4.470 8.738 1.00001.00 C HETATM 9014 H15 LIG 0 4.560 5.074 2.256 1.00001.00 H HETATM 9015 H16 LIG 0 2.909 5.624 2.217 1.00001.00 H HETATM 9016 H17 LIG 0 6.132 8.484 2.704 1.00001.00 H HETATM 9017 H18 LIG 0 6.482 6.751 2.629 1.00001.00 H HETATM 9018 H19 LIG 0 5.785 7.468 4.095 1.00001.00 H HETATM 9019 H20 LIG 0 3.390 7.303 0.480 1.00001.00 H HETATM 9020 H21 LIG 0 4.680 8.489 0.679 1.00001.00 H HETATM 9021 H22 LIG 0 5.083 6.781 0.429 1.00001.00 H HETATM 9022 H23 LIG 0 2.322 8.127 2.660 1.00001.00 H HETATM 9023 H24 LIG 0 2.542 7.184 4.642 1.00001.00 H HETATM 9024 H25 LIG 0 4.821 3.586 3.993 1.00001.00 H HETATM 9025 H26 LIG 0 2.268 6.586 7.011 1.00001.00 H HETATM 9026 H27 LIG 0 4.548 2.984 6.363 1.00001.00 H HETATM 9027 H28 LIG 0 3.592 3.362 8.456 1.00001.00 H HETATM 9028 H29 LIG 0 3.839 5.032 8.910 1.00001.00 H HETATM 9029 H30 LIG 0 1.150 3.703 8.254 1.00001.00 H HETATM 9030 H31 LIG 0 1.350 5.450 8.482 1.00001.00 H HETATM 9031 H32 LIG 0 1.681 4.336 9.821 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.111 1.048 -2.303 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.038 -0.217 -1.461 1.00001.00 H ATOM 1216 CG TYR 78 -3.933 1.068 -0.192 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.109 2.207 -0.121 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.091 2.929 -0.938 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.954 0.127 0.855 1.00001.00 C ATOM 1220 HD2 TYR 78 -4.612 -0.740 0.805 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.310 2.410 1.010 1.00001.00 C ATOM 1222 HE1 TYR 78 -1.695 3.306 1.094 1.00001.00 H ATOM 1223 CE2 TYR 78 -3.122 0.313 1.972 1.00001.00 C ATOM 1224 HE2 TYR 78 -3.110 -0.415 2.783 1.00001.00 H ATOM 1225 CZ TYR 78 -2.300 1.453 2.038 1.00001.00 C ATOM 1226 OH TYR 78 -1.445 1.624 3.060 1.00001.00 O ATOM 1227 HH TYR 78 -1.418 0.978 3.784 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1591 N GLN 105 -8.706 11.026 3.305 1.00001.00 N ATOM 1592 HN GLN 105 -9.036 11.924 3.013 1.00001.00 H ATOM 1593 CA GLN 105 -7.650 10.412 2.501 1.00001.00 C ATOM 1594 HA GLN 105 -8.015 9.468 2.096 1.00001.00 H ATOM 1595 CB GLN 105 -7.351 11.320 1.297 1.00001.00 C ATOM 1596 HB1 GLN 105 -6.814 12.203 1.645 1.00001.00 H ATOM 1597 HB2 GLN 105 -8.294 11.624 0.842 1.00001.00 H ATOM 1598 CG GLN 105 -6.499 10.607 0.242 1.00001.00 C ATOM 1599 HG1 GLN 105 -6.798 10.959 -0.745 1.00001.00 H ATOM 1600 HG2 GLN 105 -6.676 9.535 0.315 1.00001.00 H ATOM 1601 CD GLN 105 -5.014 10.870 0.423 1.00001.00 C ATOM 1602 NE2 GLN 105 -4.486 11.939 -0.125 1.00001.00 N ATOM 1603 1HE2 GLN 105 -3.510 12.127 -0.016 1.00001.00 H ATOM 1604 2HE2 GLN 105 -5.060 12.567 -0.651 1.00001.00 H ATOM 1605 OE1 GLN 105 -4.289 10.109 1.038 1.00001.00 O ATOM 1606 C GLN 105 -6.396 10.144 3.343 1.00001.00 C ATOM 1607 O GLN 105 -5.856 9.039 3.317 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.301 12.668 6.321 1.00001.00 H ATOM 1614 HB2 MET 106 -4.586 13.136 4.760 1.00001.00 H ATOM 1615 CG MET 106 -3.164 12.534 6.245 1.00001.00 C ATOM 1616 HG1 MET 106 -2.403 12.288 5.506 1.00001.00 H ATOM 1617 HG2 MET 106 -3.118 11.819 7.067 1.00001.00 H ATOM 1618 SD MET 106 -2.816 14.190 6.902 1.00001.00 S ATOM 1619 CE MET 106 -2.514 13.824 8.645 1.00001.00 C ATOM 1620 HE1 MET 106 -1.689 13.116 8.730 1.00001.00 H ATOM 1621 HE2 MET 106 -3.412 13.389 9.085 1.00001.00 H ATOM 1622 HE3 MET 106 -2.260 14.743 9.172 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.730 8.849 7.423 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.197 10.260 8.369 1.00001.00 H ATOM 1632 CG PHE 107 -8.398 8.464 9.488 1.00001.00 C ATOM 1633 CD1 PHE 107 -8.950 7.167 9.444 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.184 6.708 8.485 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.072 9.048 10.721 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.645 10.051 10.757 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.195 6.469 10.637 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.633 5.471 10.609 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.298 8.339 11.909 1.00001.00 C ATOM 1640 HE2 PHE 107 -8.022 8.784 12.866 1.00001.00 H ATOM 1641 CZ PHE 107 -8.876 7.059 11.871 1.00001.00 C ATOM 1642 HZ PHE 107 -9.076 6.524 12.799 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.493 4.914 3.672 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.855 6.655 3.731 1.00001.00 H ATOM 1652 CG PHE 108 -9.297 5.414 4.681 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.608 4.163 5.247 1.00001.00 C ATOM 1654 HD1 PHE 108 -8.819 3.430 5.410 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.319 6.353 4.457 1.00001.00 C ATOM 1656 HD2 PHE 108 -10.082 7.317 4.007 1.00001.00 H ATOM 1657 CE1 PHE 108 -10.934 3.859 5.601 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.172 2.892 6.043 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.645 6.049 4.811 1.00001.00 C ATOM 1660 HE2 PHE 108 -12.436 6.779 4.640 1.00001.00 H ATOM 1661 CZ PHE 108 -11.951 4.804 5.387 1.00001.00 C ATOM 1662 HZ PHE 108 -12.979 4.571 5.667 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -2.881 8.439 4.152 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.624 7.907 2.623 1.00001.00 H ATOM 1672 CG HIS 109 -1.551 7.502 2.795 1.00001.00 C ATOM 1673 CD2 HIS 109 -0.351 7.766 3.401 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.097 8.080 4.413 1.00001.00 H ATOM 1675 ND1 HIS 109 -1.281 7.142 1.499 1.00001.00 N ATOM 1676 CE1 HIS 109 0.047 7.210 1.327 1.00001.00 C ATOM 1677 HE1 HIS 109 0.634 7.023 0.428 1.00001.00 H ATOM 1678 NE2 HIS 109 0.656 7.565 2.462 1.00001.00 N ATOM 1679 HE2 HIS 109 1.613 7.697 2.720 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -1.419 7.448 9.478 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.987 7.835 8.730 1.00001.00 H ATOM 1689 CG LEU 110 -1.345 9.028 8.026 1.00001.00 C ATOM 1690 HG LEU 110 -1.681 9.198 7.002 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.830 10.165 8.918 1.00001.00 C ATOM 1692 1HD1 LEU 110 -1.466 11.115 8.525 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.452 10.022 9.929 1.00001.00 H ATOM 1694 3HD1 LEU 110 -2.920 10.174 8.933 1.00001.00 H ATOM 1695 CD2 LEU 110 0.185 9.046 8.043 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.539 8.875 9.059 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.541 10.015 7.692 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.564 8.260 7.389 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.784 3.631 7.831 1.00001.00 H ATOM 1707 CG1 THR 111 -6.040 2.385 9.547 1.00001.00 C ATOM 1708 1HG1 THR 111 -7.123 2.493 9.612 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.623 2.290 10.551 1.00001.00 H ATOM 1710 3HG1 THR 111 -5.797 1.495 8.968 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.750 9.518 1.00001.00 O ATOM 1712 HG2 THR 111 -6.007 5.488 8.891 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.033 0.852 3.873 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.137 2.597 4.202 1.00001.00 H ATOM 1722 CG LEU 112 -5.003 1.551 4.352 1.00001.00 C ATOM 1723 HG LEU 112 -5.476 2.114 5.156 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.403 2.152 3.006 1.00001.00 C ATOM 1725 1HD1 LEU 112 -5.033 3.176 2.940 1.00001.00 H ATOM 1726 2HD1 LEU 112 -6.489 2.152 2.916 1.00001.00 H ATOM 1727 3HD1 LEU 112 -4.971 1.558 2.199 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.546 0.133 4.426 1.00001.00 C ATOM 1729 1HD2 LEU 112 -5.238 -0.324 5.367 1.00001.00 H ATOM 1730 2HD2 LEU 112 -5.153 -0.450 3.593 1.00001.00 H ATOM 1731 3HD2 LEU 112 -6.634 0.157 4.372 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 1.184 4.229 7.170 1.00001.00 H ATOM 1740 HB2 ALA 113 0.642 4.451 5.489 1.00001.00 H ATOM 1741 HB3 ALA 113 2.287 3.859 5.823 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 2.125 -2.296 4.765 1.00001.00 H ATOM 1767 HB2 GLU 116 0.860 -1.173 5.319 1.00001.00 H ATOM 1768 CG GLU 116 0.150 -2.758 4.052 1.00001.00 C ATOM 1769 HG1 GLU 116 -0.804 -2.995 4.521 1.00001.00 H ATOM 1770 HG2 GLU 116 0.584 -3.666 3.633 1.00001.00 H ATOM 1771 CD GLU 116 -0.106 -1.771 2.903 1.00001.00 C ATOM 1772 OE1 GLU 116 0.517 -1.988 1.839 1.00001.00 O ATOM 1773 OE2 GLU 116 -0.876 -0.805 3.104 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.235 -0.965 9.679 1.00001.00 H ATOM 1782 CG1 VAL 117 6.308 -1.428 9.395 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.337 -2.196 10.168 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.628 -0.476 9.818 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.975 -1.706 8.579 1.00001.00 H ATOM 1786 CG2 VAL 117 4.965 -0.214 7.779 1.00001.00 C ATOM 1787 1HG2 VAL 117 3.959 0.077 7.477 1.00001.00 H ATOM 1788 2HG2 VAL 117 5.502 -0.608 6.915 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.494 0.656 8.170 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 1.221 -5.104 12.350 1.00001.00 H ATOM 1798 HB2 PHE 118 1.473 -3.406 11.879 1.00001.00 H ATOM 1799 CG PHE 118 2.528 -4.011 13.623 1.00001.00 C ATOM 1800 CD1 PHE 118 3.023 -5.059 14.421 1.00001.00 C ATOM 1801 HD1 PHE 118 2.963 -6.088 14.067 1.00001.00 H ATOM 1802 CD2 PHE 118 2.577 -2.690 14.102 1.00001.00 C ATOM 1803 HD2 PHE 118 2.145 -1.883 13.509 1.00001.00 H ATOM 1804 CE1 PHE 118 3.596 -4.782 15.676 1.00001.00 C ATOM 1805 HE1 PHE 118 3.969 -5.595 16.298 1.00001.00 H ATOM 1806 CE2 PHE 118 3.176 -2.407 15.340 1.00001.00 C ATOM 1807 HE2 PHE 118 3.250 -1.377 15.689 1.00001.00 H ATOM 1808 CZ PHE 118 3.684 -3.454 16.128 1.00001.00 C ATOM 1809 HZ PHE 118 4.146 -3.237 17.091 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2470 N ASP 160 -2.282 3.620 14.725 1.00001.00 N ATOM 2471 HN ASP 160 -2.134 2.657 14.501 1.00001.00 H ATOM 2472 CA ASP 160 -1.649 4.627 13.858 1.00001.00 C ATOM 2473 HA ASP 160 -0.969 5.229 14.460 1.00001.00 H ATOM 2474 CB ASP 160 -0.823 3.973 12.735 1.00001.00 C ATOM 2475 HB1 ASP 160 -0.735 4.682 11.912 1.00001.00 H ATOM 2476 HB2 ASP 160 -1.348 3.082 12.392 1.00001.00 H ATOM 2477 CG ASP 160 0.565 3.574 13.177 1.00001.00 C ATOM 2478 OD1 ASP 160 1.081 4.283 14.070 1.00001.00 O ATOM 2479 OD2 ASP 160 1.099 2.617 12.572 1.00001.00 O ATOM 2480 C ASP 160 -2.665 5.549 13.197 1.00001.00 C ATOM 2481 O ASP 160 -2.551 6.775 13.285 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.317 14.509 0.046 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.859 13.420 -0.727 1.00001.00 H ATOM 2879 CG GLU 185 0.676 12.417 0.403 1.00001.00 C ATOM 2880 HG1 GLU 185 0.078 11.521 0.572 1.00001.00 H ATOM 2881 HG2 GLU 185 1.281 12.622 1.288 1.00001.00 H ATOM 2882 CD GLU 185 1.618 12.159 -0.782 1.00001.00 C ATOM 2883 OE1 GLU 185 1.196 11.418 -1.694 1.00001.00 O ATOM 2884 OE2 GLU 185 2.731 12.737 -0.809 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.131 12.955 5.851 1.00001.00 H ATOM 2893 CG1 THR 186 0.362 14.178 7.439 1.00001.00 C ATOM 2894 1HG1 THR 186 1.270 14.781 7.454 1.00001.00 H ATOM 2895 2HG1 THR 186 0.421 13.414 8.214 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.502 14.816 7.622 1.00001.00 H ATOM 2897 OG2 THR 186 -0.838 12.583 6.116 1.00001.00 O ATOM 2898 HG2 THR 186 -0.736 11.946 5.392 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 2901 N PRO 187 2.429 15.154 4.351 1.00001.00 N ATOM 2902 CA PRO 187 3.597 16.031 4.289 1.00001.00 C ATOM 2903 HA PRO 187 3.872 16.318 5.304 1.00001.00 H ATOM 2904 CB PRO 187 4.725 15.188 3.673 1.00001.00 C ATOM 2905 HB1 PRO 187 5.674 15.387 4.171 1.00001.00 H ATOM 2906 HB2 PRO 187 4.824 15.394 2.606 1.00001.00 H ATOM 2907 CG PRO 187 4.281 13.747 3.906 1.00001.00 C ATOM 2908 HG1 PRO 187 4.543 13.403 4.907 1.00001.00 H ATOM 2909 HG2 PRO 187 4.709 13.070 3.167 1.00001.00 H ATOM 2910 CD PRO 187 2.775 13.881 3.737 1.00001.00 C ATOM 2911 HD1 PRO 187 2.260 13.062 4.241 1.00001.00 H ATOM 2912 HD2 PRO 187 2.508 13.881 2.680 1.00001.00 H ATOM 2913 C PRO 187 3.337 17.302 3.474 1.00001.00 C ATOM 2914 O PRO 187 3.863 18.362 3.815 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 9.131 9.548 13.738 1.00001.00 H ATOM 3193 HB2 TYR 205 10.328 8.236 13.865 1.00001.00 H ATOM 3194 CG TYR 205 9.512 8.879 15.716 1.00001.00 C ATOM 3195 CD1 TYR 205 8.663 9.803 16.355 1.00001.00 C ATOM 3196 HD1 TYR 205 7.884 10.315 15.788 1.00001.00 H ATOM 3197 CD2 TYR 205 10.505 8.205 16.452 1.00001.00 C ATOM 3198 HD2 TYR 205 11.158 7.490 15.953 1.00001.00 H ATOM 3199 CE1 TYR 205 8.821 10.066 17.729 1.00001.00 C ATOM 3200 HE1 TYR 205 8.178 10.796 18.222 1.00001.00 H ATOM 3201 CE2 TYR 205 10.655 8.456 17.827 1.00001.00 C ATOM 3202 HE2 TYR 205 11.423 7.934 18.398 1.00001.00 H ATOM 3203 CZ TYR 205 9.810 9.385 18.467 1.00001.00 C ATOM 3204 OH TYR 205 9.938 9.603 19.803 1.00001.00 O ATOM 3205 HH TYR 205 9.347 10.228 20.250 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3238 N CYS 208 5.847 3.638 13.373 1.00001.00 N ATOM 3239 HN CYS 208 5.851 4.637 13.419 1.00001.00 H ATOM 3240 CA CYS 208 6.485 3.035 12.214 1.00001.00 C ATOM 3241 HA CYS 208 5.748 2.440 11.674 1.00001.00 H ATOM 3242 CB CYS 208 6.961 4.119 11.242 1.00001.00 C ATOM 3243 HB1 CYS 208 7.550 3.647 10.456 1.00001.00 H ATOM 3244 HB2 CYS 208 7.586 4.827 11.789 1.00001.00 H ATOM 3245 SG CYS 208 5.595 5.029 10.473 1.00001.00 S ATOM 3246 HG CYS 208 4.603 4.180 10.176 1.00001.00 H ATOM 3247 C CYS 208 7.656 2.131 12.613 1.00001.00 C ATOM 3248 O CYS 208 7.770 1.050 12.056 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.356 -0.737 13.700 1.00001.00 H ATOM 3293 HB2 MET 211 3.472 -1.406 12.054 1.00001.00 H ATOM 3294 CG MET 211 4.574 0.416 12.354 1.00001.00 C ATOM 3295 HG1 MET 211 5.528 0.250 11.853 1.00001.00 H ATOM 3296 HG2 MET 211 4.722 1.091 13.197 1.00001.00 H ATOM 3297 SD MET 211 3.427 1.133 11.218 1.00001.00 S ATOM 3298 CE MET 211 4.485 1.886 9.958 1.00001.00 C ATOM 3299 HE1 MET 211 5.315 1.215 9.733 1.00001.00 H ATOM 3300 HE2 MET 211 4.873 2.834 10.328 1.00001.00 H ATOM 3301 HE3 MET 211 3.904 2.060 9.053 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 8.128 -0.728 9.082 1.00001.00 H ATOM 3310 HB2 LEU 212 9.671 -1.495 9.530 1.00001.00 H ATOM 3311 CG LEU 212 9.109 0.163 10.766 1.00001.00 C ATOM 3312 HG LEU 212 8.189 0.554 11.201 1.00001.00 H ATOM 3313 CD1 LEU 212 10.095 -0.094 11.904 1.00001.00 C ATOM 3314 1HD1 LEU 212 10.370 0.854 12.367 1.00001.00 H ATOM 3315 2HD1 LEU 212 10.989 -0.576 11.508 1.00001.00 H ATOM 3316 3HD1 LEU 212 9.632 -0.741 12.648 1.00001.00 H ATOM 3317 CD2 LEU 212 9.702 1.238 9.851 1.00001.00 C ATOM 3318 1HD2 LEU 212 10.746 1.003 9.644 1.00001.00 H ATOM 3319 2HD2 LEU 212 9.640 2.209 10.343 1.00001.00 H ATOM 3320 3HD2 LEU 212 9.143 1.268 8.916 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 7.368 -3.466 3.352 1.00001.00 H ATOM 4019 HB2 LEU 256 6.933 -3.439 1.626 1.00001.00 H ATOM 4020 CG LEU 256 5.641 -2.263 2.887 1.00001.00 C ATOM 4021 HG LEU 256 5.447 -1.376 2.286 1.00001.00 H ATOM 4022 CD1 LEU 256 4.591 -3.312 2.600 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.742 -4.168 3.260 1.00001.00 H ATOM 4024 2HD1 LEU 256 4.674 -3.635 1.563 1.00001.00 H ATOM 4025 3HD1 LEU 256 3.600 -2.892 2.773 1.00001.00 H ATOM 4026 CD2 LEU 256 5.543 -1.862 4.359 1.00001.00 C ATOM 4027 1HD2 LEU 256 5.863 -2.695 4.985 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.512 -1.602 4.597 1.00001.00 H ATOM 4029 3HD2 LEU 256 6.186 -1.001 4.544 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 12.004 -3.057 5.267 1.00001.00 H ATOM 4038 HB2 PHE 257 10.519 -3.764 5.945 1.00001.00 H ATOM 4039 CG PHE 257 11.682 -2.646 7.327 1.00001.00 C ATOM 4040 CD1 PHE 257 13.007 -2.205 7.505 1.00001.00 C ATOM 4041 HD1 PHE 257 13.655 -2.054 6.643 1.00001.00 H ATOM 4042 CD2 PHE 257 10.849 -2.809 8.448 1.00001.00 C ATOM 4043 HD2 PHE 257 9.805 -3.094 8.305 1.00001.00 H ATOM 4044 CE1 PHE 257 13.494 -1.960 8.800 1.00001.00 C ATOM 4045 HE1 PHE 257 14.505 -1.577 8.937 1.00001.00 H ATOM 4046 CE2 PHE 257 11.348 -2.607 9.742 1.00001.00 C ATOM 4047 HE2 PHE 257 10.706 -2.759 10.609 1.00001.00 H ATOM 4048 CZ PHE 257 12.680 -2.208 9.917 1.00001.00 C ATOM 4049 HZ PHE 257 13.086 -2.089 10.922 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 8.031 1.862 2.324 1.00001.00 H ATOM 4065 HB2 ALA 259 8.972 2.520 0.965 1.00001.00 H ATOM 4066 HB3 ALA 259 7.882 3.582 1.888 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 7.611 1.613 8.212 1.00001.00 H ATOM 4075 HB2 SER 260 8.687 0.677 7.147 1.00001.00 H ATOM 4076 OG SER 260 6.750 0.842 6.529 1.00001.00 O ATOM 4077 HG SER 260 6.985 0.609 5.617 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.803 3.192 7.231 1.00001.00 H ATOM 4086 HB2 PHE 261 12.792 1.733 7.115 1.00001.00 H ATOM 4087 CG PHE 261 13.666 2.061 9.031 1.00001.00 C ATOM 4088 CD1 PHE 261 14.717 2.761 9.654 1.00001.00 C ATOM 4089 HD1 PHE 261 15.122 3.661 9.190 1.00001.00 H ATOM 4090 CD2 PHE 261 13.149 0.899 9.629 1.00001.00 C ATOM 4091 HD2 PHE 261 12.334 0.356 9.148 1.00001.00 H ATOM 4092 CE1 PHE 261 15.246 2.302 10.873 1.00001.00 C ATOM 4093 HE1 PHE 261 16.056 2.847 11.355 1.00001.00 H ATOM 4094 CE2 PHE 261 13.679 0.436 10.847 1.00001.00 C ATOM 4095 HE2 PHE 261 13.279 -0.467 11.307 1.00001.00 H ATOM 4096 CZ PHE 261 14.727 1.137 11.469 1.00001.00 C ATOM 4097 HZ PHE 261 15.136 0.780 12.414 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.135 6.199 3.840 1.00001.00 H ATOM 4106 HB2 TYR 262 12.840 5.688 3.881 1.00001.00 H ATOM 4107 CG TYR 262 12.541 7.766 3.555 1.00001.00 C ATOM 4108 CD1 TYR 262 11.557 8.694 3.160 1.00001.00 C ATOM 4109 HD1 TYR 262 10.502 8.468 3.313 1.00001.00 H ATOM 4110 CD2 TYR 262 13.907 8.069 3.396 1.00001.00 C ATOM 4111 HD2 TYR 262 14.666 7.362 3.731 1.00001.00 H ATOM 4112 CE1 TYR 262 11.937 9.911 2.565 1.00001.00 C ATOM 4113 HE1 TYR 262 11.182 10.633 2.256 1.00001.00 H ATOM 4114 CE2 TYR 262 14.289 9.284 2.805 1.00001.00 C ATOM 4115 HE2 TYR 262 15.346 9.528 2.680 1.00001.00 H ATOM 4116 CZ TYR 262 13.301 10.193 2.373 1.00001.00 C ATOM 4117 OH TYR 262 13.676 11.332 1.748 1.00001.00 O ATOM 4118 HH TYR 262 14.618 11.525 1.616 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.237 6.672 6.337 1.00001.00 H ATOM 4127 CG1 THR 263 6.377 8.500 5.646 1.00001.00 C ATOM 4128 1HG1 THR 263 5.988 8.657 6.652 1.00001.00 H ATOM 4129 2HG1 THR 263 5.584 8.107 5.008 1.00001.00 H ATOM 4130 3HG1 THR 263 6.733 9.447 5.241 1.00001.00 H ATOM 4131 OG2 THR 263 7.719 7.071 4.370 1.00001.00 O ATOM 4132 HG2 THR 263 8.183 6.219 4.371 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.914 6.711 11.327 1.00001.00 H ATOM 4141 HB2 TYR 264 8.274 5.794 9.845 1.00001.00 H ATOM 4142 CG TYR 264 6.487 6.949 9.764 1.00001.00 C ATOM 4143 CD1 TYR 264 5.566 7.604 10.603 1.00001.00 C ATOM 4144 HD1 TYR 264 5.879 7.957 11.586 1.00001.00 H ATOM 4145 CD2 TYR 264 6.079 6.498 8.492 1.00001.00 C ATOM 4146 HD2 TYR 264 6.792 5.985 7.848 1.00001.00 H ATOM 4147 CE1 TYR 264 4.240 7.804 10.173 1.00001.00 C ATOM 4148 HE1 TYR 264 3.529 8.306 10.830 1.00001.00 H ATOM 4149 CE2 TYR 264 4.756 6.707 8.055 1.00001.00 C ATOM 4150 HE2 TYR 264 4.444 6.367 7.066 1.00001.00 H ATOM 4151 CZ TYR 264 3.832 7.360 8.900 1.00001.00 C ATOM 4152 OH TYR 264 2.547 7.571 8.513 1.00001.00 O ATOM 4153 HH TYR 264 2.246 7.273 7.641 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4156 N MET 265 11.461 7.544 10.081 1.00001.00 N ATOM 4157 HN MET 265 11.496 7.073 9.199 1.00001.00 H ATOM 4158 CA MET 265 12.660 7.470 10.929 1.00001.00 C ATOM 4159 HA MET 265 12.395 7.789 11.936 1.00001.00 H ATOM 4160 CB MET 265 13.142 6.017 11.067 1.00001.00 C ATOM 4161 HB1 MET 265 13.980 5.991 11.763 1.00001.00 H ATOM 4162 HB2 MET 265 13.472 5.665 10.089 1.00001.00 H ATOM 4163 CG MET 265 12.051 5.081 11.581 1.00001.00 C ATOM 4164 HG1 MET 265 11.410 4.802 10.745 1.00001.00 H ATOM 4165 HG2 MET 265 11.461 5.610 12.329 1.00001.00 H ATOM 4166 SD MET 265 12.714 3.574 12.328 1.00001.00 S ATOM 4167 CE MET 265 11.191 2.625 12.477 1.00001.00 C ATOM 4168 HE1 MET 265 10.522 3.121 13.179 1.00001.00 H ATOM 4169 HE2 MET 265 11.422 1.624 12.841 1.00001.00 H ATOM 4170 HE3 MET 265 10.710 2.555 11.502 1.00001.00 H ATOM 4171 C MET 265 13.798 8.349 10.424 1.00001.00 C ATOM 4172 O MET 265 14.578 8.865 11.231 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 5.263 3.501 -3.404 1.00001.00 H ATOM 4441 HB2 TYR 283 5.929 1.849 -3.414 1.00001.00 H ATOM 4442 CG TYR 283 4.270 2.135 -2.131 1.00001.00 C ATOM 4443 CD1 TYR 283 3.536 3.126 -1.451 1.00001.00 C ATOM 4444 HD1 TYR 283 3.475 4.131 -1.869 1.00001.00 H ATOM 4445 CD2 TYR 283 4.386 0.851 -1.577 1.00001.00 C ATOM 4446 HD2 TYR 283 5.010 0.099 -2.057 1.00001.00 H ATOM 4447 CE1 TYR 283 2.884 2.825 -0.237 1.00001.00 C ATOM 4448 HE1 TYR 283 2.373 3.609 0.321 1.00001.00 H ATOM 4449 CE2 TYR 283 3.694 0.541 -0.399 1.00001.00 C ATOM 4450 HE2 TYR 283 3.781 -0.466 0.012 1.00001.00 H ATOM 4451 CZ TYR 283 2.896 1.503 0.253 1.00001.00 C ATOM 4452 OH TYR 283 2.160 1.143 1.338 1.00001.00 O ATOM 4453 HH TYR 283 1.612 1.802 1.792 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O TER END Pose: 7 Node: 0 # Binding energies BENERG: Tyr78: -0.162846 Met106: -0.472711 Phe107: -0.0261713 Phe108: -0.0804278 His109: 4.62121 Leu110: -0.974206 Leu112: -0.139528 Ala113: 1.1997 Glu116: -0.396227 Val117: -0.166566 Glu185: -0.151747 Thr186: -0.512636 Pro187: -0.24691 Tyr205: -0 Leu255: -0.22293 Leu256: -0.938742 Phe257: -0.0456779 Ala259: 7.50686 Ser260: 0.516693 Phe261: -0.0475458 Tyr262: -0.519786 Thr263: 1.6076 Tyr264: -0.972483 Met277: -0 Phe282: -0.0233889 Tyr283: 0.434132 Thr284: -0.432092 Total ionic: -0 Total H-bond: -0.378703 Total pi stack: -0.128926 Total polar-pi and cation-pi: -0.194634 Total metal coordination: -0 Total van der Waals: -10.1536 Total: 9.35358 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 78.4767 Proximity: 1.4654 Protein clashes: 21.7845 # van der Waals repulsion vdWRPL: His109: 3.36762 Leu110: 0.42766 Ala113: 1.52787 Thr186: 0.0830359 Pro187: 0.00220866 Leu256: 0.0187574 Ala259: 2.31217 Ser260: 0.100677 Thr263: 0.41784 Tyr264: 0.360481 Tyr283: 2.61133 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 6.313 6.433 1.947 1.00001.00 O HETATM 9001 C2 LIG 0 5.453 4.151 1.826 1.00001.00 C HETATM 9002 C3 LIG 0 3.955 3.856 1.559 1.00001.00 C HETATM 9003 C4 LIG 0 2.970 4.817 2.186 1.00001.00 C HETATM 9004 C5 LIG 0 5.813 4.044 3.314 1.00001.00 C HETATM 9005 C6 LIG 0 6.302 3.139 1.038 1.00001.00 C HETATM 9006 C7 LIG 0 5.809 5.533 1.284 1.00001.00 C HETATM 9007 C8 LIG 0 2.505 5.890 1.444 1.00001.00 C HETATM 9008 C9 LIG 0 2.553 4.605 3.489 1.00001.00 C HETATM 9009 C10 LIG 0 1.167 6.578 3.334 1.00001.00 C HETATM 9010 C11 LIG 0 1.597 6.777 2.023 1.00001.00 C HETATM 9011 C12 LIG 0 1.645 5.492 4.068 1.00001.00 C HETATM 9012 C13 LIG 0 0.196 7.525 3.953 1.00001.00 C HETATM 9013 C14 LIG 0 0.887 8.634 4.742 1.00001.00 C HETATM 9014 H15 LIG 0 3.716 2.837 1.896 1.00001.00 H HETATM 9015 H16 LIG 0 3.770 3.842 0.475 1.00001.00 H HETATM 9016 H17 LIG 0 6.893 4.157 3.467 1.00001.00 H HETATM 9017 H18 LIG 0 5.519 3.071 3.724 1.00001.00 H HETATM 9018 H19 LIG 0 5.330 4.826 3.909 1.00001.00 H HETATM 9019 H20 LIG 0 6.089 3.189 -0.037 1.00001.00 H HETATM 9020 H21 LIG 0 7.373 3.338 1.162 1.00001.00 H HETATM 9021 H22 LIG 0 6.108 2.114 1.372 1.00001.00 H HETATM 9022 H23 LIG 0 5.591 5.691 0.212 1.00001.00 H HETATM 9023 H24 LIG 0 2.830 6.054 0.421 1.00001.00 H HETATM 9024 H25 LIG 0 2.918 3.761 4.068 1.00001.00 H HETATM 9025 H26 LIG 0 1.233 7.620 1.441 1.00001.00 H HETATM 9026 H27 LIG 0 1.319 5.326 5.091 1.00001.00 H HETATM 9027 H28 LIG 0 -0.437 7.972 3.176 1.00001.00 H HETATM 9028 H29 LIG 0 -0.489 6.980 4.614 1.00001.00 H HETATM 9029 H30 LIG 0 0.313 8.901 5.635 1.00001.00 H HETATM 9030 H31 LIG 0 0.991 9.530 4.123 1.00001.00 H HETATM 9031 H32 LIG 0 1.887 8.325 5.065 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.159 0.973 -2.351 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.042 -0.214 -1.360 1.00001.00 H ATOM 1216 CG TYR 78 -3.864 1.162 -0.262 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.335 2.462 -0.151 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.594 3.229 -0.882 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.526 0.165 0.673 1.00001.00 C ATOM 1220 HD2 TYR 78 -3.957 -0.834 0.595 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.473 2.767 0.908 1.00001.00 C ATOM 1222 HE1 TYR 78 -2.086 3.779 1.027 1.00001.00 H ATOM 1223 CE2 TYR 78 -2.630 0.463 1.713 1.00001.00 C ATOM 1224 HE2 TYR 78 -2.341 -0.301 2.433 1.00001.00 H ATOM 1225 CZ TYR 78 -2.104 1.763 1.818 1.00001.00 C ATOM 1226 OH TYR 78 -1.194 2.061 2.761 1.00001.00 O ATOM 1227 HH TYR 78 -0.922 1.386 3.403 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1591 N GLN 105 -8.706 11.026 3.305 1.00001.00 N ATOM 1592 HN GLN 105 -9.036 11.924 3.013 1.00001.00 H ATOM 1593 CA GLN 105 -7.650 10.412 2.501 1.00001.00 C ATOM 1594 HA GLN 105 -8.015 9.468 2.096 1.00001.00 H ATOM 1595 CB GLN 105 -7.351 11.320 1.297 1.00001.00 C ATOM 1596 HB1 GLN 105 -6.890 12.241 1.655 1.00001.00 H ATOM 1597 HB2 GLN 105 -8.288 11.555 0.791 1.00001.00 H ATOM 1598 CG GLN 105 -6.403 10.649 0.297 1.00001.00 C ATOM 1599 HG1 GLN 105 -6.763 10.848 -0.712 1.00001.00 H ATOM 1600 HG2 GLN 105 -6.406 9.576 0.479 1.00001.00 H ATOM 1601 CD GLN 105 -4.978 11.161 0.417 1.00001.00 C ATOM 1602 NE2 GLN 105 -4.401 11.689 -0.637 1.00001.00 N ATOM 1603 1HE2 GLN 105 -3.463 12.030 -0.575 1.00001.00 H ATOM 1604 2HE2 GLN 105 -4.900 11.749 -1.502 1.00001.00 H ATOM 1605 OE1 GLN 105 -4.342 11.076 1.452 1.00001.00 O ATOM 1606 C GLN 105 -6.396 10.144 3.343 1.00001.00 C ATOM 1607 O GLN 105 -5.856 9.039 3.317 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.057 12.534 6.534 1.00001.00 H ATOM 1614 HB2 MET 106 -4.916 13.160 4.874 1.00001.00 H ATOM 1615 CG MET 106 -3.048 12.683 5.807 1.00001.00 C ATOM 1616 HG1 MET 106 -2.524 12.535 4.864 1.00001.00 H ATOM 1617 HG2 MET 106 -2.679 11.968 6.545 1.00001.00 H ATOM 1618 SD MET 106 -2.693 14.360 6.406 1.00001.00 S ATOM 1619 CE MET 106 -3.350 14.282 8.087 1.00001.00 C ATOM 1620 HE1 MET 106 -2.840 13.492 8.640 1.00001.00 H ATOM 1621 HE2 MET 106 -4.418 14.069 8.050 1.00001.00 H ATOM 1622 HE3 MET 106 -3.187 15.237 8.586 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.729 8.887 7.406 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.186 10.255 8.409 1.00001.00 H ATOM 1632 CG PHE 107 -8.415 8.420 9.457 1.00001.00 C ATOM 1633 CD1 PHE 107 -8.993 7.138 9.361 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.235 6.723 8.384 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.079 8.948 10.713 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.632 9.939 10.790 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.255 6.398 10.525 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.712 5.410 10.456 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.321 8.196 11.871 1.00001.00 C ATOM 1640 HE2 PHE 107 -8.038 8.596 12.846 1.00001.00 H ATOM 1641 CZ PHE 107 -8.925 6.931 11.781 1.00001.00 C ATOM 1642 HZ PHE 107 -9.138 6.363 12.688 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.635 4.783 3.800 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.685 6.552 3.612 1.00001.00 H ATOM 1652 CG PHE 108 -9.333 5.723 4.670 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.901 4.571 5.248 1.00001.00 C ATOM 1654 HD1 PHE 108 -9.282 3.694 5.429 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.137 6.849 4.423 1.00001.00 C ATOM 1656 HD2 PHE 108 -9.702 7.737 3.963 1.00001.00 H ATOM 1657 CE1 PHE 108 -11.264 4.554 5.592 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.700 3.663 6.044 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.500 6.831 4.766 1.00001.00 C ATOM 1660 HE2 PHE 108 -12.121 7.707 4.577 1.00001.00 H ATOM 1661 CZ PHE 108 -12.061 5.685 5.355 1.00001.00 C ATOM 1662 HZ PHE 108 -13.117 5.674 5.627 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -3.774 8.141 2.958 1.00001.00 H ATOM 1671 HB2 HIS 109 -2.200 7.377 2.628 1.00001.00 H ATOM 1672 CG HIS 109 -2.253 8.595 4.361 1.00001.00 C ATOM 1673 CD2 HIS 109 -1.256 9.486 4.067 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.757 9.743 3.133 1.00001.00 H ATOM 1675 ND1 HIS 109 -2.497 8.687 5.708 1.00001.00 N ATOM 1676 CE1 HIS 109 -1.651 9.596 6.213 1.00001.00 C ATOM 1677 HE1 HIS 109 -1.527 9.922 7.245 1.00001.00 H ATOM 1678 NE2 HIS 109 -0.891 10.125 5.248 1.00001.00 N ATOM 1679 HE2 HIS 109 -0.179 10.827 5.238 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -2.046 7.296 9.549 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.817 8.250 8.259 1.00001.00 H ATOM 1689 CG LEU 110 -0.733 8.677 8.559 1.00001.00 C ATOM 1690 HG LEU 110 -0.463 8.940 7.535 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.131 9.935 9.322 1.00001.00 C ATOM 1692 1HD1 LEU 110 -0.285 10.623 9.353 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.421 9.670 10.337 1.00001.00 H ATOM 1694 3HD1 LEU 110 -1.969 10.415 8.817 1.00001.00 H ATOM 1695 CD2 LEU 110 0.500 8.087 9.248 1.00001.00 C ATOM 1696 1HD2 LEU 110 1.300 8.827 9.256 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.830 7.201 8.705 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.247 7.813 10.272 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.785 3.648 7.831 1.00001.00 H ATOM 1707 CG1 THR 111 -6.039 2.374 9.527 1.00001.00 C ATOM 1708 1HG1 THR 111 -7.122 2.480 9.593 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.623 2.262 10.529 1.00001.00 H ATOM 1710 3HG1 THR 111 -5.796 1.494 8.933 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.738 9.537 1.00001.00 O ATOM 1712 HG2 THR 111 -5.949 5.503 8.940 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.041 0.846 3.875 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.129 2.593 4.198 1.00001.00 H ATOM 1722 CG LEU 112 -5.004 1.565 4.354 1.00001.00 C ATOM 1723 HG LEU 112 -5.469 2.176 5.128 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.395 2.101 2.979 1.00001.00 C ATOM 1725 1HD1 LEU 112 -4.919 1.498 2.204 1.00001.00 H ATOM 1726 2HD1 LEU 112 -5.069 3.136 2.885 1.00001.00 H ATOM 1727 3HD1 LEU 112 -6.479 2.049 2.862 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.568 0.161 4.502 1.00001.00 C ATOM 1729 1HD2 LEU 112 -5.343 -0.217 5.500 1.00001.00 H ATOM 1730 2HD2 LEU 112 -5.114 -0.492 3.756 1.00001.00 H ATOM 1731 3HD2 LEU 112 -6.647 0.186 4.356 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 0.889 4.336 7.055 1.00001.00 H ATOM 1740 HB2 ALA 113 0.885 4.368 5.276 1.00001.00 H ATOM 1741 HB3 ALA 113 2.339 3.835 6.152 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 1.889 -1.475 5.235 1.00001.00 H ATOM 1767 HB2 GLU 116 0.153 -1.720 4.927 1.00001.00 H ATOM 1768 CG GLU 116 1.440 -3.134 3.945 1.00001.00 C ATOM 1769 HG1 GLU 116 0.731 -3.962 3.934 1.00001.00 H ATOM 1770 HG2 GLU 116 2.448 -3.522 4.087 1.00001.00 H ATOM 1771 CD GLU 116 1.381 -2.429 2.581 1.00001.00 C ATOM 1772 OE1 GLU 116 0.520 -2.853 1.777 1.00001.00 O ATOM 1773 OE2 GLU 116 2.204 -1.517 2.342 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.216 -0.948 9.656 1.00001.00 H ATOM 1782 CG1 VAL 117 6.291 -1.439 9.438 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.946 -1.877 8.684 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.261 -2.086 10.314 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.669 -0.457 9.724 1.00001.00 H ATOM 1786 CG2 VAL 117 5.009 -0.228 7.769 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.036 -0.061 7.309 1.00001.00 H ATOM 1788 2HG2 VAL 117 5.715 -0.569 7.011 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.370 0.703 8.207 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 1.084 -4.949 12.141 1.00001.00 H ATOM 1798 HB2 PHE 118 1.682 -3.275 12.038 1.00001.00 H ATOM 1799 CG PHE 118 2.432 -4.388 13.688 1.00001.00 C ATOM 1800 CD1 PHE 118 3.180 -5.499 14.120 1.00001.00 C ATOM 1801 HD1 PHE 118 3.387 -6.318 13.431 1.00001.00 H ATOM 1802 CD2 PHE 118 2.139 -3.353 14.592 1.00001.00 C ATOM 1803 HD2 PHE 118 1.514 -2.518 14.274 1.00001.00 H ATOM 1804 CE1 PHE 118 3.662 -5.556 15.441 1.00001.00 C ATOM 1805 HE1 PHE 118 4.232 -6.421 15.778 1.00001.00 H ATOM 1806 CE2 PHE 118 2.645 -3.392 15.901 1.00001.00 C ATOM 1807 HE2 PHE 118 2.450 -2.568 16.587 1.00001.00 H ATOM 1808 CZ PHE 118 3.405 -4.495 16.326 1.00001.00 C ATOM 1809 HZ PHE 118 3.795 -4.529 17.343 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2527 N LEU 164 -2.540 9.472 14.392 1.00001.00 N ATOM 2528 HN LEU 164 -2.573 8.519 14.092 1.00001.00 H ATOM 2529 CA LEU 164 -1.904 10.439 13.500 1.00001.00 C ATOM 2530 HA LEU 164 -1.325 11.139 14.103 1.00001.00 H ATOM 2531 CB LEU 164 -0.884 9.709 12.614 1.00001.00 C ATOM 2532 HB1 LEU 164 -1.321 9.597 11.623 1.00001.00 H ATOM 2533 HB2 LEU 164 -0.710 8.724 13.047 1.00001.00 H ATOM 2534 CG LEU 164 0.482 10.404 12.454 1.00001.00 C ATOM 2535 HG LEU 164 0.882 10.655 13.437 1.00001.00 H ATOM 2536 CD1 LEU 164 1.442 9.459 11.736 1.00001.00 C ATOM 2537 1HD1 LEU 164 2.423 9.929 11.655 1.00001.00 H ATOM 2538 2HD1 LEU 164 1.061 9.240 10.739 1.00001.00 H ATOM 2539 3HD1 LEU 164 1.530 8.531 12.302 1.00001.00 H ATOM 2540 CD2 LEU 164 0.386 11.699 11.639 1.00001.00 C ATOM 2541 1HD2 LEU 164 -0.212 12.429 12.185 1.00001.00 H ATOM 2542 2HD2 LEU 164 -0.085 11.488 10.679 1.00001.00 H ATOM 2543 3HD2 LEU 164 1.386 12.099 11.474 1.00001.00 H ATOM 2544 C LEU 164 -2.913 11.230 12.666 1.00001.00 C ATOM 2545 O LEU 164 -2.670 12.411 12.401 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.370 14.478 0.093 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.859 13.496 -0.739 1.00001.00 H ATOM 2879 CG GLU 185 0.603 12.354 0.354 1.00001.00 C ATOM 2880 HG1 GLU 185 -0.048 11.487 0.472 1.00001.00 H ATOM 2881 HG2 GLU 185 1.206 12.480 1.254 1.00001.00 H ATOM 2882 CD GLU 185 1.544 12.100 -0.832 1.00001.00 C ATOM 2883 OE1 GLU 185 1.087 11.446 -1.792 1.00001.00 O ATOM 2884 OE2 GLU 185 2.696 12.598 -0.810 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.173 13.012 5.897 1.00001.00 H ATOM 2893 CG1 THR 186 0.248 14.166 7.452 1.00001.00 C ATOM 2894 1HG1 THR 186 1.116 14.820 7.524 1.00001.00 H ATOM 2895 2HG1 THR 186 0.308 13.396 8.221 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.661 14.751 7.593 1.00001.00 H ATOM 2897 OG2 THR 186 -0.783 12.523 6.047 1.00001.00 O ATOM 2898 HG2 THR 186 -0.475 11.765 5.526 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 2901 N PRO 187 2.429 15.154 4.351 1.00001.00 N ATOM 2902 CA PRO 187 3.597 16.031 4.289 1.00001.00 C ATOM 2903 HA PRO 187 3.872 16.318 5.304 1.00001.00 H ATOM 2904 CB PRO 187 4.725 15.188 3.673 1.00001.00 C ATOM 2905 HB1 PRO 187 5.674 15.387 4.171 1.00001.00 H ATOM 2906 HB2 PRO 187 4.824 15.394 2.606 1.00001.00 H ATOM 2907 CG PRO 187 4.281 13.747 3.906 1.00001.00 C ATOM 2908 HG1 PRO 187 4.543 13.403 4.907 1.00001.00 H ATOM 2909 HG2 PRO 187 4.709 13.070 3.167 1.00001.00 H ATOM 2910 CD PRO 187 2.775 13.881 3.737 1.00001.00 C ATOM 2911 HD1 PRO 187 2.260 13.062 4.241 1.00001.00 H ATOM 2912 HD2 PRO 187 2.508 13.881 2.680 1.00001.00 H ATOM 2913 C PRO 187 3.337 17.302 3.474 1.00001.00 C ATOM 2914 O PRO 187 3.863 18.362 3.815 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 9.434 8.685 15.323 1.00001.00 H ATOM 3193 HB2 TYR 205 9.083 9.573 13.820 1.00001.00 H ATOM 3194 CG TYR 205 10.745 8.256 13.709 1.00001.00 C ATOM 3195 CD1 TYR 205 11.653 7.535 14.508 1.00001.00 C ATOM 3196 HD1 TYR 205 11.363 7.208 15.508 1.00001.00 H ATOM 3197 CD2 TYR 205 11.112 8.662 12.412 1.00001.00 C ATOM 3198 HD2 TYR 205 10.405 9.218 11.797 1.00001.00 H ATOM 3199 CE1 TYR 205 12.936 7.237 14.015 1.00001.00 C ATOM 3200 HE1 TYR 205 13.649 6.696 14.639 1.00001.00 H ATOM 3201 CE2 TYR 205 12.390 8.353 11.913 1.00001.00 C ATOM 3202 HE2 TYR 205 12.675 8.666 10.908 1.00001.00 H ATOM 3203 CZ TYR 205 13.301 7.637 12.713 1.00001.00 C ATOM 3204 OH TYR 205 14.525 7.314 12.216 1.00001.00 O ATOM 3205 HH TYR 205 15.149 6.806 12.757 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.458 -1.416 12.070 1.00001.00 H ATOM 3293 HB2 MET 211 4.392 0.044 12.476 1.00001.00 H ATOM 3294 CG MET 211 3.130 -0.674 14.062 1.00001.00 C ATOM 3295 HG1 MET 211 3.724 -0.269 14.882 1.00001.00 H ATOM 3296 HG2 MET 211 2.681 -1.618 14.373 1.00001.00 H ATOM 3297 SD MET 211 1.857 0.472 13.632 1.00001.00 S ATOM 3298 CE MET 211 0.733 -0.501 12.602 1.00001.00 C ATOM 3299 HE1 MET 211 0.375 -1.361 13.168 1.00001.00 H ATOM 3300 HE2 MET 211 1.261 -0.846 11.713 1.00001.00 H ATOM 3301 HE3 MET 211 -0.113 0.116 12.304 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 9.660 -0.863 10.470 1.00001.00 H ATOM 3310 HB2 LEU 212 8.120 -0.174 9.902 1.00001.00 H ATOM 3311 CG LEU 212 9.135 -1.393 8.461 1.00001.00 C ATOM 3312 HG LEU 212 9.195 -2.478 8.364 1.00001.00 H ATOM 3313 CD1 LEU 212 8.175 -0.878 7.390 1.00001.00 C ATOM 3314 1HD1 LEU 212 7.591 -1.709 6.995 1.00001.00 H ATOM 3315 2HD1 LEU 212 8.745 -0.420 6.582 1.00001.00 H ATOM 3316 3HD1 LEU 212 7.505 -0.139 7.827 1.00001.00 H ATOM 3317 CD2 LEU 212 10.524 -0.810 8.181 1.00001.00 C ATOM 3318 1HD2 LEU 212 10.482 0.277 8.251 1.00001.00 H ATOM 3319 2HD2 LEU 212 10.843 -1.096 7.179 1.00001.00 H ATOM 3320 3HD2 LEU 212 11.233 -1.195 8.912 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 3994 N LEU 255 11.412 -3.050 -0.036 1.00001.00 N ATOM 3995 HN LEU 255 11.227 -3.921 -0.489 1.00001.00 H ATOM 3996 CA LEU 255 10.678 -1.878 -0.509 1.00001.00 C ATOM 3997 HA LEU 255 11.392 -1.111 -0.811 1.00001.00 H ATOM 3998 CB LEU 255 9.881 -2.249 -1.771 1.00001.00 C ATOM 3999 HB1 LEU 255 9.190 -1.434 -1.987 1.00001.00 H ATOM 4000 HB2 LEU 255 9.316 -3.157 -1.559 1.00001.00 H ATOM 4001 CG LEU 255 10.736 -2.500 -3.028 1.00001.00 C ATOM 4002 HG LEU 255 11.445 -3.303 -2.830 1.00001.00 H ATOM 4003 CD1 LEU 255 9.828 -2.896 -4.194 1.00001.00 C ATOM 4004 1HD1 LEU 255 9.298 -3.816 -3.945 1.00001.00 H ATOM 4005 2HD1 LEU 255 10.433 -3.057 -5.087 1.00001.00 H ATOM 4006 3HD1 LEU 255 9.108 -2.101 -4.382 1.00001.00 H ATOM 4007 CD2 LEU 255 11.604 -1.305 -3.432 1.00001.00 C ATOM 4008 1HD2 LEU 255 12.610 -1.435 -3.033 1.00001.00 H ATOM 4009 2HD2 LEU 255 11.170 -0.388 -3.033 1.00001.00 H ATOM 4010 3HD2 LEU 255 11.650 -1.240 -4.520 1.00001.00 H ATOM 4011 C LEU 255 9.769 -1.308 0.586 1.00001.00 C ATOM 4012 O LEU 255 9.814 -0.107 0.845 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 7.349 -3.444 3.376 1.00001.00 H ATOM 4019 HB2 LEU 256 6.961 -3.461 1.639 1.00001.00 H ATOM 4020 CG LEU 256 5.629 -2.263 2.836 1.00001.00 C ATOM 4021 HG LEU 256 5.417 -1.436 2.160 1.00001.00 H ATOM 4022 CD1 LEU 256 4.601 -3.355 2.643 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.853 -4.206 3.277 1.00001.00 H ATOM 4024 2HD1 LEU 256 4.596 -3.668 1.600 1.00001.00 H ATOM 4025 3HD1 LEU 256 3.615 -2.979 2.916 1.00001.00 H ATOM 4026 CD2 LEU 256 5.521 -1.736 4.268 1.00001.00 C ATOM 4027 1HD2 LEU 256 5.909 -2.484 4.960 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.477 -1.530 4.502 1.00001.00 H ATOM 4029 3HD2 LEU 256 6.102 -0.818 4.362 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.773 -2.514 6.750 1.00001.00 H ATOM 4038 HB2 PHE 257 11.797 -3.261 5.136 1.00001.00 H ATOM 4039 CG PHE 257 10.305 -4.020 6.445 1.00001.00 C ATOM 4040 CD1 PHE 257 10.165 -4.209 7.832 1.00001.00 C ATOM 4041 HD1 PHE 257 10.683 -3.552 8.531 1.00001.00 H ATOM 4042 CD2 PHE 257 9.609 -4.857 5.556 1.00001.00 C ATOM 4043 HD2 PHE 257 9.672 -4.673 4.482 1.00001.00 H ATOM 4044 CE1 PHE 257 9.355 -5.249 8.317 1.00001.00 C ATOM 4045 HE1 PHE 257 9.211 -5.371 9.390 1.00001.00 H ATOM 4046 CE2 PHE 257 8.837 -5.923 6.039 1.00001.00 C ATOM 4047 HE2 PHE 257 8.319 -6.585 5.346 1.00001.00 H ATOM 4048 CZ PHE 257 8.733 -6.133 7.421 1.00001.00 C ATOM 4049 HZ PHE 257 8.167 -6.985 7.801 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 8.009 1.884 2.342 1.00001.00 H ATOM 4065 HB2 ALA 259 8.974 2.486 0.974 1.00001.00 H ATOM 4066 HB3 ALA 259 7.901 3.594 1.861 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 7.487 1.634 8.168 1.00001.00 H ATOM 4075 HB2 SER 260 8.723 0.725 7.265 1.00001.00 H ATOM 4076 OG SER 260 6.859 0.755 6.436 1.00001.00 O ATOM 4077 HG SER 260 7.251 0.315 5.665 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.505 2.872 6.792 1.00001.00 H ATOM 4086 HB2 PHE 261 12.765 1.534 7.701 1.00001.00 H ATOM 4087 CG PHE 261 14.097 2.751 8.835 1.00001.00 C ATOM 4088 CD1 PHE 261 15.045 3.789 8.758 1.00001.00 C ATOM 4089 HD1 PHE 261 15.057 4.453 7.893 1.00001.00 H ATOM 4090 CD2 PHE 261 14.087 1.895 9.950 1.00001.00 C ATOM 4091 HD2 PHE 261 13.353 1.091 10.011 1.00001.00 H ATOM 4092 CE1 PHE 261 15.977 3.973 9.795 1.00001.00 C ATOM 4093 HE1 PHE 261 16.706 4.779 9.735 1.00001.00 H ATOM 4094 CE2 PHE 261 15.020 2.075 10.986 1.00001.00 C ATOM 4095 HE2 PHE 261 15.013 1.408 11.849 1.00001.00 H ATOM 4096 CZ PHE 261 15.965 3.114 10.910 1.00001.00 C ATOM 4097 HZ PHE 261 16.686 3.256 11.714 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.196 6.022 3.848 1.00001.00 H ATOM 4106 HB2 TYR 262 12.966 5.828 3.877 1.00001.00 H ATOM 4107 CG TYR 262 12.293 7.816 3.550 1.00001.00 C ATOM 4108 CD1 TYR 262 11.156 8.591 3.248 1.00001.00 C ATOM 4109 HD1 TYR 262 10.160 8.210 3.478 1.00001.00 H ATOM 4110 CD2 TYR 262 13.583 8.320 3.293 1.00001.00 C ATOM 4111 HD2 TYR 262 14.462 7.731 3.556 1.00001.00 H ATOM 4112 CE1 TYR 262 11.305 9.855 2.649 1.00001.00 C ATOM 4113 HE1 TYR 262 10.429 10.459 2.412 1.00001.00 H ATOM 4114 CE2 TYR 262 13.735 9.582 2.697 1.00001.00 C ATOM 4115 HE2 TYR 262 14.731 9.981 2.496 1.00001.00 H ATOM 4116 CZ TYR 262 12.592 10.337 2.358 1.00001.00 C ATOM 4117 OH TYR 262 12.746 11.524 1.729 1.00001.00 O ATOM 4118 HH TYR 262 13.636 11.855 1.529 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.298 6.602 6.264 1.00001.00 H ATOM 4127 CG1 THR 263 6.339 8.450 5.791 1.00001.00 C ATOM 4128 1HG1 THR 263 6.148 8.690 6.838 1.00001.00 H ATOM 4129 2HG1 THR 263 5.458 7.971 5.363 1.00001.00 H ATOM 4130 3HG1 THR 263 6.558 9.367 5.243 1.00001.00 H ATOM 4131 OG2 THR 263 7.675 7.209 4.327 1.00001.00 O ATOM 4132 HG2 THR 263 7.327 6.322 4.149 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.825 6.787 11.323 1.00001.00 H ATOM 4141 HB2 TYR 264 8.334 5.783 9.945 1.00001.00 H ATOM 4142 CG TYR 264 6.525 6.864 9.638 1.00001.00 C ATOM 4143 CD1 TYR 264 5.488 7.431 10.401 1.00001.00 C ATOM 4144 HD1 TYR 264 5.684 7.777 11.416 1.00001.00 H ATOM 4145 CD2 TYR 264 6.268 6.422 8.324 1.00001.00 C ATOM 4146 HD2 TYR 264 7.072 5.977 7.738 1.00001.00 H ATOM 4147 CE1 TYR 264 4.196 7.552 9.854 1.00001.00 C ATOM 4148 HE1 TYR 264 3.394 7.985 10.452 1.00001.00 H ATOM 4149 CE2 TYR 264 4.979 6.552 7.770 1.00001.00 C ATOM 4150 HE2 TYR 264 4.784 6.219 6.749 1.00001.00 H ATOM 4151 CZ TYR 264 3.938 7.116 8.539 1.00001.00 C ATOM 4152 OH TYR 264 2.682 7.250 8.039 1.00001.00 O ATOM 4153 HH TYR 264 2.484 6.956 7.136 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 6.054 2.155 -3.556 1.00001.00 H ATOM 4441 HB2 TYR 283 4.574 1.825 -2.623 1.00001.00 H ATOM 4442 CG TYR 283 4.987 3.876 -2.944 1.00001.00 C ATOM 4443 CD1 TYR 283 6.138 4.686 -2.994 1.00001.00 C ATOM 4444 HD1 TYR 283 7.063 4.281 -3.405 1.00001.00 H ATOM 4445 CD2 TYR 283 3.806 4.379 -2.379 1.00001.00 C ATOM 4446 HD2 TYR 283 2.932 3.738 -2.269 1.00001.00 H ATOM 4447 CE1 TYR 283 6.099 6.012 -2.516 1.00001.00 C ATOM 4448 HE1 TYR 283 7.006 6.616 -2.494 1.00001.00 H ATOM 4449 CE2 TYR 283 3.755 5.712 -1.954 1.00001.00 C ATOM 4450 HE2 TYR 283 2.825 6.094 -1.531 1.00001.00 H ATOM 4451 CZ TYR 283 4.879 6.557 -2.066 1.00001.00 C ATOM 4452 OH TYR 283 4.768 7.871 -1.735 1.00001.00 O ATOM 4453 HH TYR 283 5.539 8.455 -1.808 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O ATOM 4456 N THR 284 2.342 3.652 -5.286 1.00001.00 N ATOM 4457 HN THR 284 3.000 4.256 -5.736 1.00001.00 H ATOM 4458 CA THR 284 0.913 4.057 -5.292 1.00001.00 C ATOM 4459 HA THR 284 0.451 3.669 -4.384 1.00001.00 H ATOM 4460 CB THR 284 0.721 5.577 -5.229 1.00001.00 C ATOM 4461 HB THR 284 -0.348 5.787 -5.268 1.00001.00 H ATOM 4462 CG1 THR 284 1.289 6.230 -3.980 1.00001.00 C ATOM 4463 1HG1 THR 284 1.216 7.314 -4.071 1.00001.00 H ATOM 4464 2HG1 THR 284 2.334 5.945 -3.863 1.00001.00 H ATOM 4465 3HG1 THR 284 0.724 5.900 -3.108 1.00001.00 H ATOM 4466 OG2 THR 284 1.335 6.191 -6.330 1.00001.00 O ATOM 4467 HG2 THR 284 1.968 5.575 -6.732 1.00001.00 H ATOM 4468 C THR 284 0.092 3.565 -6.486 1.00001.00 C ATOM 4469 O THR 284 -1.129 3.491 -6.380 1.00001.00 O TER END Pose: 8 Node: 0 # Binding energies BENERG: Tyr78: -0.395056 Met106: -0.911781 Phe107: -0.155919 Phe108: -0.23049 His109: 1.61349 Leu110: 11.9413 Thr111: -0.204031 Leu112: -0.326467 Ala113: 1.69225 Glu116: -0.302564 Val117: -0.232434 Phe118: -0 Glu185: 0.85236 Thr186: -0.970169 Pro187: -0.358988 Tyr205: -0.00382382 Met211: -0.0945795 Leu256: -0.705358 Phe257: -0.0395338 Ala259: -0.420738 Ser260: -0.721969 Phe261: -0.141881 Tyr262: -0.4418 Thr263: 3.35889 Tyr264: -1.6427 Met265: -0.027663 Tyr283: 1.41556 Total ionic: -0 Total H-bond: -0.0261738 Total pi stack: -0.131709 Total polar-pi and cation-pi: -1.56823 Total metal coordination: -0 Total van der Waals: -9.8564 Total: 12.5459 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 98.2518 Proximity: 0.759865 Protein clashes: -76.1807 # van der Waals repulsion vdWRPL: Met106: 0.13987 His109: 5.46123 Leu110: 3.84402 Thr111: 0.00933624 Ala113: 1.66357 Thr186: 0.186664 Leu256: 0.00269366 Ala259: 1.16754 Ser260: 0.482954 Thr263: 2.4084 Tyr264: 7.3911 Tyr283: 0.0882862 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 4.143 5.255 1.433 1.00001.00 O HETATM 9001 C2 LIG 0 5.160 4.885 3.622 1.00001.00 C HETATM 9002 C3 LIG 0 4.310 4.813 4.916 1.00001.00 C HETATM 9003 C4 LIG 0 3.119 5.743 4.976 1.00001.00 C HETATM 9004 C5 LIG 0 5.823 6.256 3.434 1.00001.00 C HETATM 9005 C6 LIG 0 6.259 3.811 3.695 1.00001.00 C HETATM 9006 C7 LIG 0 4.291 4.537 2.417 1.00001.00 C HETATM 9007 C8 LIG 0 1.942 5.379 4.344 1.00001.00 C HETATM 9008 C9 LIG 0 3.230 6.940 5.664 1.00001.00 C HETATM 9009 C10 LIG 0 0.939 7.447 5.087 1.00001.00 C HETATM 9010 C11 LIG 0 0.844 6.237 4.399 1.00001.00 C HETATM 9011 C12 LIG 0 2.131 7.798 5.720 1.00001.00 C HETATM 9012 C13 LIG 0 -0.236 8.364 5.148 1.00001.00 C HETATM 9013 C14 LIG 0 -0.853 8.426 6.543 1.00001.00 C HETATM 9014 H15 LIG 0 4.951 5.005 5.788 1.00001.00 H HETATM 9015 H16 LIG 0 3.944 3.786 5.060 1.00001.00 H HETATM 9016 H17 LIG 0 6.498 6.253 2.569 1.00001.00 H HETATM 9017 H18 LIG 0 6.412 6.536 4.314 1.00001.00 H HETATM 9018 H19 LIG 0 5.086 7.045 3.251 1.00001.00 H HETATM 9019 H20 LIG 0 5.832 2.808 3.815 1.00001.00 H HETATM 9020 H21 LIG 0 6.860 3.796 2.778 1.00001.00 H HETATM 9021 H22 LIG 0 6.935 3.992 4.538 1.00001.00 H HETATM 9022 H23 LIG 0 3.784 3.556 2.466 1.00001.00 H HETATM 9023 H24 LIG 0 1.856 4.438 3.808 1.00001.00 H HETATM 9024 H25 LIG 0 4.153 7.223 6.161 1.00001.00 H HETATM 9025 H26 LIG 0 -0.079 5.952 3.902 1.00001.00 H HETATM 9026 H27 LIG 0 2.218 8.739 6.258 1.00001.00 H HETATM 9027 H28 LIG 0 0.061 9.373 4.836 1.00001.00 H HETATM 9028 H29 LIG 0 -0.998 8.044 4.427 1.00001.00 H HETATM 9029 H30 LIG 0 -0.162 8.038 7.299 1.00001.00 H HETATM 9030 H31 LIG 0 -1.768 7.827 6.578 1.00001.00 H HETATM 9031 H32 LIG 0 -1.109 9.455 6.817 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.138 1.005 -2.332 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.041 -0.216 -1.403 1.00001.00 H ATOM 1216 CG TYR 78 -3.893 1.123 -0.232 1.00001.00 C ATOM 1217 CD1 TYR 78 -3.326 2.404 -0.091 1.00001.00 C ATOM 1218 HD1 TYR 78 -3.536 3.185 -0.823 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.619 0.108 0.705 1.00001.00 C ATOM 1220 HD2 TYR 78 -4.079 -0.876 0.604 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.489 2.672 0.998 1.00001.00 C ATOM 1222 HE1 TYR 78 -2.074 3.670 1.139 1.00001.00 H ATOM 1223 CE2 TYR 78 -2.748 0.367 1.776 1.00001.00 C ATOM 1224 HE2 TYR 78 -2.508 -0.412 2.499 1.00001.00 H ATOM 1225 CZ TYR 78 -2.183 1.649 1.911 1.00001.00 C ATOM 1226 OH TYR 78 -1.296 1.909 2.886 1.00001.00 O ATOM 1227 HH TYR 78 -1.067 1.220 3.530 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.301 12.668 6.321 1.00001.00 H ATOM 1614 HB2 MET 106 -4.586 13.136 4.760 1.00001.00 H ATOM 1615 CG MET 106 -3.164 12.534 6.245 1.00001.00 C ATOM 1616 HG1 MET 106 -2.401 12.323 5.497 1.00001.00 H ATOM 1617 HG2 MET 106 -3.105 11.794 7.044 1.00001.00 H ATOM 1618 SD MET 106 -2.839 14.174 6.953 1.00001.00 S ATOM 1619 CE MET 106 -2.341 13.741 8.635 1.00001.00 C ATOM 1620 HE1 MET 106 -1.724 14.540 9.047 1.00001.00 H ATOM 1621 HE2 MET 106 -1.769 12.814 8.617 1.00001.00 H ATOM 1622 HE3 MET 106 -3.226 13.609 9.254 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.728 8.905 7.399 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.180 10.252 8.427 1.00001.00 H ATOM 1632 CG PHE 107 -8.423 8.400 9.443 1.00001.00 C ATOM 1633 CD1 PHE 107 -9.079 7.158 9.323 1.00001.00 C ATOM 1634 HD1 PHE 107 -9.375 6.791 8.341 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.019 8.864 10.704 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.511 9.824 10.798 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.350 6.395 10.470 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.867 5.439 10.384 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.271 8.089 11.844 1.00001.00 C ATOM 1640 HE2 PHE 107 -7.935 8.438 12.821 1.00001.00 H ATOM 1641 CZ PHE 107 -8.952 6.865 11.732 1.00001.00 C ATOM 1642 HZ PHE 107 -9.171 6.280 12.626 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.642 4.778 3.806 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.679 6.546 3.607 1.00001.00 H ATOM 1652 CG PHE 108 -9.333 5.736 4.668 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.994 4.519 4.924 1.00001.00 C ATOM 1654 HD1 PHE 108 -9.445 3.580 4.860 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.047 6.945 4.737 1.00001.00 C ATOM 1656 HD2 PHE 108 -9.540 7.887 4.526 1.00001.00 H ATOM 1657 CE1 PHE 108 -11.358 4.514 5.262 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.866 3.572 5.464 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.411 6.940 5.075 1.00001.00 C ATOM 1660 HE2 PHE 108 -11.962 7.879 5.131 1.00001.00 H ATOM 1661 CZ PHE 108 -12.065 5.725 5.342 1.00001.00 C ATOM 1662 HZ PHE 108 -13.122 5.723 5.610 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -2.839 8.428 4.160 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.646 7.931 2.652 1.00001.00 H ATOM 1672 CG HIS 109 -1.576 7.485 2.745 1.00001.00 C ATOM 1673 CD2 HIS 109 -0.596 8.437 2.646 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.524 9.454 3.029 1.00001.00 H ATOM 1675 ND1 HIS 109 -1.135 6.375 2.071 1.00001.00 N ATOM 1676 CE1 HIS 109 0.072 6.662 1.562 1.00001.00 C ATOM 1677 HE1 HIS 109 0.723 6.042 0.946 1.00001.00 H ATOM 1678 NE2 HIS 109 0.451 7.897 1.904 1.00001.00 N ATOM 1679 HE2 HIS 109 1.272 8.439 1.732 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -2.706 7.442 9.255 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.220 8.576 7.972 1.00001.00 H ATOM 1689 CG LEU 110 -0.647 8.046 9.336 1.00001.00 C ATOM 1690 HG LEU 110 0.227 7.930 8.692 1.00001.00 H ATOM 1691 CD1 LEU 110 -0.736 9.490 9.818 1.00001.00 C ATOM 1692 1HD1 LEU 110 0.216 9.784 10.260 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.525 9.577 10.563 1.00001.00 H ATOM 1694 3HD1 LEU 110 -0.960 10.141 8.972 1.00001.00 H ATOM 1695 CD2 LEU 110 -0.463 7.157 10.566 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.470 7.415 11.066 1.00001.00 H ATOM 1697 2HD2 LEU 110 -0.433 6.111 10.258 1.00001.00 H ATOM 1698 3HD2 LEU 110 -1.297 7.309 11.252 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.785 3.684 7.833 1.00001.00 H ATOM 1707 CG1 THR 111 -6.039 2.352 9.484 1.00001.00 C ATOM 1708 1HG1 THR 111 -5.529 2.133 10.422 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.908 1.515 8.796 1.00001.00 H ATOM 1710 3HG1 THR 111 -7.101 2.503 9.673 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.714 9.576 1.00001.00 O ATOM 1712 HG2 THR 111 -5.986 5.490 8.994 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.000 0.878 3.866 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.174 2.614 4.217 1.00001.00 H ATOM 1722 CG LEU 112 -4.999 1.495 4.341 1.00001.00 C ATOM 1723 HG LEU 112 -5.498 2.040 5.142 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.411 2.081 2.992 1.00001.00 C ATOM 1725 1HD1 LEU 112 -6.470 1.887 2.819 1.00001.00 H ATOM 1726 2HD1 LEU 112 -4.823 1.618 2.200 1.00001.00 H ATOM 1727 3HD1 LEU 112 -5.235 3.157 2.993 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.490 0.058 4.411 1.00001.00 C ATOM 1729 1HD2 LEU 112 -5.197 -0.379 5.367 1.00001.00 H ATOM 1730 2HD2 LEU 112 -5.046 -0.517 3.598 1.00001.00 H ATOM 1731 3HD2 LEU 112 -6.575 0.040 4.320 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 0.888 4.337 7.054 1.00001.00 H ATOM 1740 HB2 ALA 113 0.886 4.367 5.275 1.00001.00 H ATOM 1741 HB3 ALA 113 2.339 3.835 6.153 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 1.816 -1.410 5.267 1.00001.00 H ATOM 1767 HB2 GLU 116 0.126 -1.804 4.875 1.00001.00 H ATOM 1768 CG GLU 116 1.576 -3.109 3.972 1.00001.00 C ATOM 1769 HG1 GLU 116 0.886 -3.947 3.876 1.00001.00 H ATOM 1770 HG2 GLU 116 2.571 -3.484 4.213 1.00001.00 H ATOM 1771 CD GLU 116 1.647 -2.381 2.621 1.00001.00 C ATOM 1772 OE1 GLU 116 0.679 -2.559 1.847 1.00001.00 O ATOM 1773 OE2 GLU 116 2.663 -1.699 2.360 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.167 -0.898 9.586 1.00001.00 H ATOM 1782 CG1 VAL 117 6.233 -1.465 9.557 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.134 -2.182 10.373 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.560 -0.505 9.955 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.966 -1.830 8.838 1.00001.00 H ATOM 1786 CG2 VAL 117 5.137 -0.272 7.750 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.265 -0.218 7.099 1.00001.00 H ATOM 1788 2HG2 VAL 117 6.005 -0.581 7.166 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.326 0.707 8.189 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 0.973 -4.552 11.854 1.00001.00 H ATOM 1798 HB2 PHE 118 2.038 -3.229 12.387 1.00001.00 H ATOM 1799 CG PHE 118 2.108 -4.971 13.604 1.00001.00 C ATOM 1800 CD1 PHE 118 1.656 -6.290 13.793 1.00001.00 C ATOM 1801 HD1 PHE 118 1.165 -6.820 12.977 1.00001.00 H ATOM 1802 CD2 PHE 118 2.708 -4.282 14.672 1.00001.00 C ATOM 1803 HD2 PHE 118 3.010 -3.242 14.543 1.00001.00 H ATOM 1804 CE1 PHE 118 1.836 -6.928 15.035 1.00001.00 C ATOM 1805 HE1 PHE 118 1.477 -7.945 15.183 1.00001.00 H ATOM 1806 CE2 PHE 118 2.917 -4.926 15.902 1.00001.00 C ATOM 1807 HE2 PHE 118 3.420 -4.402 16.715 1.00001.00 H ATOM 1808 CZ PHE 118 2.479 -6.248 16.083 1.00001.00 C ATOM 1809 HZ PHE 118 2.638 -6.749 17.038 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2470 N ASP 160 -2.282 3.620 14.725 1.00001.00 N ATOM 2471 HN ASP 160 -2.134 2.657 14.501 1.00001.00 H ATOM 2472 CA ASP 160 -1.649 4.627 13.858 1.00001.00 C ATOM 2473 HA ASP 160 -0.969 5.229 14.460 1.00001.00 H ATOM 2474 CB ASP 160 -0.823 3.973 12.735 1.00001.00 C ATOM 2475 HB1 ASP 160 -0.697 4.698 11.931 1.00001.00 H ATOM 2476 HB2 ASP 160 -1.369 3.107 12.362 1.00001.00 H ATOM 2477 CG ASP 160 0.543 3.520 13.192 1.00001.00 C ATOM 2478 OD1 ASP 160 1.461 4.365 13.097 1.00001.00 O ATOM 2479 OD2 ASP 160 0.651 2.329 13.563 1.00001.00 O ATOM 2480 C ASP 160 -2.665 5.549 13.197 1.00001.00 C ATOM 2481 O ASP 160 -2.551 6.775 13.285 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.303 14.517 0.033 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.858 13.400 -0.723 1.00001.00 H ATOM 2879 CG GLU 185 0.695 12.434 0.415 1.00001.00 C ATOM 2880 HG1 GLU 185 0.112 11.523 0.551 1.00001.00 H ATOM 2881 HG2 GLU 185 1.266 12.638 1.322 1.00001.00 H ATOM 2882 CD GLU 185 1.679 12.216 -0.742 1.00001.00 C ATOM 2883 OE1 GLU 185 1.288 11.517 -1.699 1.00001.00 O ATOM 2884 OE2 GLU 185 2.797 12.786 -0.704 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.177 13.017 5.902 1.00001.00 H ATOM 2893 CG1 THR 186 0.236 14.164 7.453 1.00001.00 C ATOM 2894 1HG1 THR 186 1.101 14.823 7.531 1.00001.00 H ATOM 2895 2HG1 THR 186 0.296 13.394 8.221 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.676 14.744 7.590 1.00001.00 H ATOM 2897 OG2 THR 186 -0.777 12.518 6.040 1.00001.00 O ATOM 2898 HG2 THR 186 -0.443 11.741 5.564 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 2901 N PRO 187 2.429 15.154 4.351 1.00001.00 N ATOM 2902 CA PRO 187 3.597 16.031 4.289 1.00001.00 C ATOM 2903 HA PRO 187 3.872 16.318 5.304 1.00001.00 H ATOM 2904 CB PRO 187 4.725 15.188 3.673 1.00001.00 C ATOM 2905 HB1 PRO 187 5.674 15.387 4.171 1.00001.00 H ATOM 2906 HB2 PRO 187 4.824 15.394 2.606 1.00001.00 H ATOM 2907 CG PRO 187 4.281 13.747 3.906 1.00001.00 C ATOM 2908 HG1 PRO 187 4.543 13.403 4.907 1.00001.00 H ATOM 2909 HG2 PRO 187 4.709 13.070 3.167 1.00001.00 H ATOM 2910 CD PRO 187 2.775 13.881 3.737 1.00001.00 C ATOM 2911 HD1 PRO 187 2.260 13.062 4.241 1.00001.00 H ATOM 2912 HD2 PRO 187 2.508 13.881 2.680 1.00001.00 H ATOM 2913 C PRO 187 3.337 17.302 3.474 1.00001.00 C ATOM 2914 O PRO 187 3.863 18.362 3.815 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 9.128 9.051 15.202 1.00001.00 H ATOM 3193 HB2 TYR 205 9.373 9.384 13.471 1.00001.00 H ATOM 3194 CG TYR 205 10.765 8.025 14.322 1.00001.00 C ATOM 3195 CD1 TYR 205 11.307 7.654 15.568 1.00001.00 C ATOM 3196 HD1 TYR 205 10.716 7.767 16.478 1.00001.00 H ATOM 3197 CD2 TYR 205 11.520 7.863 13.146 1.00001.00 C ATOM 3198 HD2 TYR 205 11.095 8.150 12.184 1.00001.00 H ATOM 3199 CE1 TYR 205 12.614 7.138 15.636 1.00001.00 C ATOM 3200 HE1 TYR 205 13.044 6.869 16.602 1.00001.00 H ATOM 3201 CE2 TYR 205 12.821 7.334 13.211 1.00001.00 C ATOM 3202 HE2 TYR 205 13.407 7.207 12.300 1.00001.00 H ATOM 3203 CZ TYR 205 13.368 6.968 14.457 1.00001.00 C ATOM 3204 OH TYR 205 14.615 6.429 14.514 1.00001.00 O ATOM 3205 HH TYR 205 14.988 6.159 15.367 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3238 N CYS 208 5.847 3.638 13.373 1.00001.00 N ATOM 3239 HN CYS 208 5.851 4.637 13.419 1.00001.00 H ATOM 3240 CA CYS 208 6.485 3.035 12.214 1.00001.00 C ATOM 3241 HA CYS 208 5.748 2.440 11.674 1.00001.00 H ATOM 3242 CB CYS 208 6.961 4.119 11.242 1.00001.00 C ATOM 3243 HB1 CYS 208 8.010 3.939 11.006 1.00001.00 H ATOM 3244 HB2 CYS 208 6.860 5.091 11.728 1.00001.00 H ATOM 3245 SG CYS 208 6.017 4.145 9.695 1.00001.00 S ATOM 3246 HG CYS 208 5.022 3.253 9.762 1.00001.00 H ATOM 3247 C CYS 208 7.656 2.131 12.613 1.00001.00 C ATOM 3248 O CYS 208 7.770 1.050 12.056 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.592 -0.410 13.722 1.00001.00 H ATOM 3293 HB2 MET 211 3.262 -1.528 12.377 1.00001.00 H ATOM 3294 CG MET 211 4.539 0.125 11.866 1.00001.00 C ATOM 3295 HG1 MET 211 4.780 -0.361 10.921 1.00001.00 H ATOM 3296 HG2 MET 211 5.435 0.598 12.268 1.00001.00 H ATOM 3297 SD MET 211 3.294 1.350 11.602 1.00001.00 S ATOM 3298 CE MET 211 3.510 1.814 9.867 1.00001.00 C ATOM 3299 HE1 MET 211 3.095 1.034 9.228 1.00001.00 H ATOM 3300 HE2 MET 211 4.572 1.933 9.652 1.00001.00 H ATOM 3301 HE3 MET 211 2.994 2.753 9.675 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 9.452 -0.622 10.615 1.00001.00 H ATOM 3310 HB2 LEU 212 8.025 -0.313 9.595 1.00001.00 H ATOM 3311 CG LEU 212 9.533 -1.527 8.673 1.00001.00 C ATOM 3312 HG LEU 212 9.892 -2.539 8.860 1.00001.00 H ATOM 3313 CD1 LEU 212 8.747 -1.540 7.363 1.00001.00 C ATOM 3314 1HD1 LEU 212 8.787 -0.552 6.905 1.00001.00 H ATOM 3315 2HD1 LEU 212 7.709 -1.804 7.565 1.00001.00 H ATOM 3316 3HD1 LEU 212 9.183 -2.272 6.685 1.00001.00 H ATOM 3317 CD2 LEU 212 10.747 -0.611 8.495 1.00001.00 C ATOM 3318 1HD2 LEU 212 11.445 -1.065 7.791 1.00001.00 H ATOM 3319 2HD2 LEU 212 11.242 -0.473 9.456 1.00001.00 H ATOM 3320 3HD2 LEU 212 10.420 0.355 8.112 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 7.354 -3.450 3.370 1.00001.00 H ATOM 4019 HB2 LEU 256 6.953 -3.455 1.635 1.00001.00 H ATOM 4020 CG LEU 256 5.632 -2.263 2.850 1.00001.00 C ATOM 4021 HG LEU 256 5.424 -1.420 2.192 1.00001.00 H ATOM 4022 CD1 LEU 256 4.599 -3.345 2.634 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.827 -4.198 3.274 1.00001.00 H ATOM 4024 2HD1 LEU 256 4.614 -3.659 1.591 1.00001.00 H ATOM 4025 3HD1 LEU 256 3.610 -2.960 2.883 1.00001.00 H ATOM 4026 CD2 LEU 256 5.528 -1.767 4.293 1.00001.00 C ATOM 4027 1HD2 LEU 256 5.902 -2.536 4.970 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.486 -1.550 4.528 1.00001.00 H ATOM 4029 3HD2 LEU 256 6.123 -0.861 4.409 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.798 -2.507 6.729 1.00001.00 H ATOM 4038 HB2 PHE 257 11.773 -3.282 5.127 1.00001.00 H ATOM 4039 CG PHE 257 10.305 -4.001 6.485 1.00001.00 C ATOM 4040 CD1 PHE 257 9.646 -3.827 7.715 1.00001.00 C ATOM 4041 HD1 PHE 257 9.763 -2.899 8.275 1.00001.00 H ATOM 4042 CD2 PHE 257 10.122 -5.192 5.761 1.00001.00 C ATOM 4043 HD2 PHE 257 10.586 -5.303 4.780 1.00001.00 H ATOM 4044 CE1 PHE 257 8.833 -4.853 8.224 1.00001.00 C ATOM 4045 HE1 PHE 257 8.287 -4.704 9.155 1.00001.00 H ATOM 4046 CE2 PHE 257 9.346 -6.233 6.290 1.00001.00 C ATOM 4047 HE2 PHE 257 9.227 -7.165 5.737 1.00001.00 H ATOM 4048 CZ PHE 257 8.724 -6.072 7.535 1.00001.00 C ATOM 4049 HZ PHE 257 8.154 -6.894 7.970 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 8.950 2.138 1.127 1.00001.00 H ATOM 4065 HB2 ALA 259 8.132 3.657 1.563 1.00001.00 H ATOM 4066 HB3 ALA 259 7.802 2.171 2.487 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 8.004 1.493 8.254 1.00001.00 H ATOM 4075 HB2 SER 260 8.481 0.574 6.805 1.00001.00 H ATOM 4076 OG SER 260 6.517 1.120 6.905 1.00001.00 O ATOM 4077 HG SER 260 6.444 0.670 6.048 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.467 2.824 6.762 1.00001.00 H ATOM 4086 HB2 PHE 261 12.775 1.531 7.769 1.00001.00 H ATOM 4087 CG PHE 261 14.134 2.819 8.785 1.00001.00 C ATOM 4088 CD1 PHE 261 15.095 3.831 8.596 1.00001.00 C ATOM 4089 HD1 PHE 261 15.089 4.423 7.679 1.00001.00 H ATOM 4090 CD2 PHE 261 14.147 2.057 9.965 1.00001.00 C ATOM 4091 HD2 PHE 261 13.403 1.273 10.114 1.00001.00 H ATOM 4092 CE1 PHE 261 16.063 4.081 9.584 1.00001.00 C ATOM 4093 HE1 PHE 261 16.802 4.866 9.437 1.00001.00 H ATOM 4094 CE2 PHE 261 15.116 2.302 10.954 1.00001.00 C ATOM 4095 HE2 PHE 261 15.126 1.707 11.868 1.00001.00 H ATOM 4096 CZ PHE 261 16.073 3.314 10.765 1.00001.00 C ATOM 4097 HZ PHE 261 16.823 3.507 11.533 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.127 6.236 3.839 1.00001.00 H ATOM 4106 HB2 TYR 262 12.812 5.663 3.882 1.00001.00 H ATOM 4107 CG TYR 262 12.590 7.751 3.556 1.00001.00 C ATOM 4108 CD1 TYR 262 11.640 8.711 3.155 1.00001.00 C ATOM 4109 HD1 TYR 262 10.577 8.522 3.303 1.00001.00 H ATOM 4110 CD2 TYR 262 13.966 8.006 3.405 1.00001.00 C ATOM 4111 HD2 TYR 262 14.698 7.274 3.745 1.00001.00 H ATOM 4112 CE1 TYR 262 12.066 9.914 2.561 1.00001.00 C ATOM 4113 HE1 TYR 262 11.337 10.661 2.247 1.00001.00 H ATOM 4114 CE2 TYR 262 14.393 9.207 2.815 1.00001.00 C ATOM 4115 HE2 TYR 262 15.458 9.414 2.695 1.00001.00 H ATOM 4116 CZ TYR 262 13.439 10.148 2.376 1.00001.00 C ATOM 4117 OH TYR 262 13.857 11.273 1.753 1.00001.00 O ATOM 4118 HH TYR 262 14.806 11.434 1.626 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.274 6.628 6.293 1.00001.00 H ATOM 4127 CG1 THR 263 6.353 8.471 5.735 1.00001.00 C ATOM 4128 1HG1 THR 263 6.183 8.796 6.763 1.00001.00 H ATOM 4129 2HG1 THR 263 5.458 7.972 5.361 1.00001.00 H ATOM 4130 3HG1 THR 263 6.573 9.338 5.112 1.00001.00 H ATOM 4131 OG2 THR 263 7.693 7.156 4.342 1.00001.00 O ATOM 4132 HG2 THR 263 8.035 6.250 4.280 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.884 6.737 11.327 1.00001.00 H ATOM 4141 HB2 TYR 264 8.295 5.790 9.878 1.00001.00 H ATOM 4142 CG TYR 264 6.498 6.921 9.721 1.00001.00 C ATOM 4143 CD1 TYR 264 5.571 7.659 10.480 1.00001.00 C ATOM 4144 HD1 TYR 264 5.871 8.095 11.433 1.00001.00 H ATOM 4145 CD2 TYR 264 6.108 6.363 8.486 1.00001.00 C ATOM 4146 HD2 TYR 264 6.826 5.786 7.904 1.00001.00 H ATOM 4147 CE1 TYR 264 4.256 7.834 10.008 1.00001.00 C ATOM 4148 HE1 TYR 264 3.539 8.400 10.604 1.00001.00 H ATOM 4149 CE2 TYR 264 4.795 6.546 8.007 1.00001.00 C ATOM 4150 HE2 TYR 264 4.498 6.122 7.046 1.00001.00 H ATOM 4151 CZ TYR 264 3.865 7.281 8.772 1.00001.00 C ATOM 4152 OH TYR 264 2.590 7.472 8.344 1.00001.00 O ATOM 4153 HH TYR 264 2.301 7.099 7.496 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 6.054 2.155 -3.556 1.00001.00 H ATOM 4441 HB2 TYR 283 4.574 1.825 -2.623 1.00001.00 H ATOM 4442 CG TYR 283 4.987 3.876 -2.944 1.00001.00 C ATOM 4443 CD1 TYR 283 6.138 4.686 -2.994 1.00001.00 C ATOM 4444 HD1 TYR 283 7.063 4.281 -3.405 1.00001.00 H ATOM 4445 CD2 TYR 283 3.806 4.379 -2.379 1.00001.00 C ATOM 4446 HD2 TYR 283 2.932 3.738 -2.269 1.00001.00 H ATOM 4447 CE1 TYR 283 6.099 6.012 -2.516 1.00001.00 C ATOM 4448 HE1 TYR 283 7.006 6.616 -2.494 1.00001.00 H ATOM 4449 CE2 TYR 283 3.755 5.712 -1.954 1.00001.00 C ATOM 4450 HE2 TYR 283 2.825 6.094 -1.531 1.00001.00 H ATOM 4451 CZ TYR 283 4.879 6.557 -2.066 1.00001.00 C ATOM 4452 OH TYR 283 4.768 7.871 -1.735 1.00001.00 O ATOM 4453 HH TYR 283 5.539 8.455 -1.808 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O TER END Pose: 9 Node: 0 # Binding energies BENERG: Tyr78: -0.359544 Met106: -0.844675 Phe107: -0.0474769 Phe108: -0.114463 His109: 6.00682 Leu110: 0.00466642 Thr111: -0.270994 Leu112: -0.119858 Ala113: 9.26683 Glu116: -0.165789 Val117: -0.464347 Phe118: -0 Glu185: 0.297516 Thr186: -0.3586 Pro187: -0.199204 Tyr205: -0.00479111 Met211: -0.00310009 Leu212: -1.12829 Leu256: -0.762831 Phe257: -0.106492 Ala259: 2.86656 Ser260: -0.211693 Phe261: -0.193999 Tyr262: -0.942016 Thr263: -1.371 Tyr264: 4.20117 Met265: -0.0251403 Tyr283: 0.554404 Total ionic: -0 Total H-bond: -1.57886 Total pi stack: -0.150653 Total polar-pi and cation-pi: -0.131725 Total metal coordination: -0 Total van der Waals: -9.14056 Total: 15.5037 Best-Binding Pairs: C4 C8 C9 C10 C11 C12 H24 H25 H26 H27 - Tyr78 Leu112 O1 C7 H23 - Ser260 Thr263 C3 C2 C5 C6 H15 H16 H17 H18 H19 H20 H21 H22 - Ala113 Ligand polar satisfaction: 115.919 Proximity: 0.317524 Protein clashes: -66.5319 # van der Waals repulsion vdWRPL: Met106: 0.0136048 His109: 7.11102 Leu110: 2.60536 Ala113: 2.41439 Val117: 0.00175993 Thr186: 0.198868 Leu256: 0.0247497 Ala259: 2.17467 Ser260: 1.34908 Thr263: 2.30115 Tyr264: 8.27275 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 5.804 6.291 2.489 1.00001.00 O HETATM 9001 C2 LIG 0 5.655 4.346 3.959 1.00001.00 C HETATM 9002 C3 LIG 0 4.295 3.695 4.317 1.00001.00 C HETATM 9003 C4 LIG 0 3.133 4.646 4.490 1.00001.00 C HETATM 9004 C5 LIG 0 6.170 5.272 5.070 1.00001.00 C HETATM 9005 C6 LIG 0 6.689 3.230 3.727 1.00001.00 C HETATM 9006 C7 LIG 0 5.531 5.104 2.640 1.00001.00 C HETATM 9007 C8 LIG 0 2.276 4.870 3.425 1.00001.00 C HETATM 9008 C9 LIG 0 2.948 5.274 5.711 1.00001.00 C HETATM 9009 C10 LIG 0 1.004 6.389 4.808 1.00001.00 C HETATM 9010 C11 LIG 0 1.204 5.748 3.585 1.00001.00 C HETATM 9011 C12 LIG 0 1.876 6.151 5.871 1.00001.00 C HETATM 9012 C13 LIG 0 -0.143 7.326 4.980 1.00001.00 C HETATM 9013 C14 LIG 0 0.308 8.727 5.388 1.00001.00 C HETATM 9014 H15 LIG 0 4.403 3.100 5.235 1.00001.00 H HETATM 9015 H16 LIG 0 4.021 2.964 3.542 1.00001.00 H HETATM 9016 H17 LIG 0 7.177 5.641 4.840 1.00001.00 H HETATM 9017 H18 LIG 0 6.219 4.748 6.031 1.00001.00 H HETATM 9018 H19 LIG 0 5.535 6.155 5.193 1.00001.00 H HETATM 9019 H20 LIG 0 6.371 2.549 2.929 1.00001.00 H HETATM 9020 H21 LIG 0 7.659 3.645 3.427 1.00001.00 H HETATM 9021 H22 LIG 0 6.842 2.637 4.635 1.00001.00 H HETATM 9022 H23 LIG 0 5.175 4.506 1.782 1.00001.00 H HETATM 9023 H24 LIG 0 2.420 4.375 2.470 1.00001.00 H HETATM 9024 H25 LIG 0 3.620 5.094 6.545 1.00001.00 H HETATM 9025 H26 LIG 0 0.533 5.925 2.749 1.00001.00 H HETATM 9026 H27 LIG 0 1.731 6.645 6.828 1.00001.00 H HETATM 9027 H28 LIG 0 -0.720 7.387 4.048 1.00001.00 H HETATM 9028 H29 LIG 0 -0.838 6.934 5.732 1.00001.00 H HETATM 9029 H30 LIG 0 -0.527 9.435 5.358 1.00001.00 H HETATM 9030 H31 LIG 0 1.085 9.087 4.707 1.00001.00 H HETATM 9031 H32 LIG 0 0.716 8.731 6.404 1.00001.00 H ATOM 1209 N TYR 78 -7.174 0.914 -1.153 1.00001.00 N ATOM 1210 HN TYR 78 -7.006 -0.024 -0.848 1.00001.00 H ATOM 1211 CA TYR 78 -6.003 1.701 -1.522 1.00001.00 C ATOM 1212 HA TYR 78 -5.890 2.523 -0.815 1.00001.00 H ATOM 1213 CB TYR 78 -4.739 0.830 -1.439 1.00001.00 C ATOM 1214 HB1 TYR 78 -4.140 1.003 -2.333 1.00001.00 H ATOM 1215 HB2 TYR 78 -5.041 -0.216 -1.400 1.00001.00 H ATOM 1216 CG TYR 78 -3.891 1.126 -0.234 1.00001.00 C ATOM 1217 CD1 TYR 78 -2.977 2.195 -0.289 1.00001.00 C ATOM 1218 HD1 TYR 78 -2.919 2.828 -1.175 1.00001.00 H ATOM 1219 CD2 TYR 78 -3.965 0.299 0.905 1.00001.00 C ATOM 1220 HD2 TYR 78 -4.691 -0.513 0.951 1.00001.00 H ATOM 1221 CE1 TYR 78 -2.141 2.445 0.805 1.00001.00 C ATOM 1222 HE1 TYR 78 -1.456 3.292 0.791 1.00001.00 H ATOM 1223 CE2 TYR 78 -3.097 0.528 1.986 1.00001.00 C ATOM 1224 HE2 TYR 78 -3.126 -0.113 2.866 1.00001.00 H ATOM 1225 CZ TYR 78 -2.186 1.598 1.925 1.00001.00 C ATOM 1226 OH TYR 78 -1.299 1.801 2.914 1.00001.00 O ATOM 1227 HH TYR 78 -1.308 1.230 3.699 1.00001.00 H ATOM 1228 C TYR 78 -6.136 2.272 -2.928 1.00001.00 C ATOM 1229 O TYR 78 -6.037 3.485 -3.122 1.00001.00 O ATOM 1608 N MET 106 -5.980 11.128 4.141 1.00001.00 N ATOM 1609 HN MET 106 -6.467 12.002 4.153 1.00001.00 H ATOM 1610 CA MET 106 -4.827 11.024 5.030 1.00001.00 C ATOM 1611 HA MET 106 -3.958 10.726 4.445 1.00001.00 H ATOM 1612 CB MET 106 -4.538 12.422 5.582 1.00001.00 C ATOM 1613 HB1 MET 106 -5.260 12.641 6.369 1.00001.00 H ATOM 1614 HB2 MET 106 -4.652 13.145 4.774 1.00001.00 H ATOM 1615 CG MET 106 -3.130 12.559 6.163 1.00001.00 C ATOM 1616 HG1 MET 106 -2.421 12.628 5.339 1.00001.00 H ATOM 1617 HG2 MET 106 -2.913 11.670 6.757 1.00001.00 H ATOM 1618 SD MET 106 -2.927 14.021 7.221 1.00001.00 S ATOM 1619 CE MET 106 -2.226 13.284 8.714 1.00001.00 C ATOM 1620 HE1 MET 106 -1.251 12.854 8.483 1.00001.00 H ATOM 1621 HE2 MET 106 -2.891 12.501 9.079 1.00001.00 H ATOM 1622 HE3 MET 106 -2.113 14.050 9.479 1.00001.00 H ATOM 1623 C MET 106 -5.045 9.995 6.148 1.00001.00 C ATOM 1624 O MET 106 -4.154 9.200 6.429 1.00001.00 O ATOM 1625 N PHE 107 -6.240 9.954 6.748 1.00001.00 N ATOM 1626 HN PHE 107 -6.938 10.632 6.519 1.00001.00 H ATOM 1627 CA PHE 107 -6.609 8.951 7.751 1.00001.00 C ATOM 1628 HA PHE 107 -5.974 9.081 8.628 1.00001.00 H ATOM 1629 CB PHE 107 -8.056 9.191 8.208 1.00001.00 C ATOM 1630 HB1 PHE 107 -8.730 8.771 7.462 1.00001.00 H ATOM 1631 HB2 PHE 107 -8.223 10.266 8.286 1.00001.00 H ATOM 1632 CG PHE 107 -8.364 8.559 9.546 1.00001.00 C ATOM 1633 CD1 PHE 107 -8.810 7.224 9.617 1.00001.00 C ATOM 1634 HD1 PHE 107 -8.989 6.661 8.702 1.00001.00 H ATOM 1635 CD2 PHE 107 -8.109 9.279 10.723 1.00001.00 C ATOM 1636 HD2 PHE 107 -7.764 10.312 10.671 1.00001.00 H ATOM 1637 CE1 PHE 107 -9.022 6.621 10.867 1.00001.00 C ATOM 1638 HE1 PHE 107 -9.378 5.592 10.926 1.00001.00 H ATOM 1639 CE2 PHE 107 -8.301 8.666 11.969 1.00001.00 C ATOM 1640 HE2 PHE 107 -8.079 9.218 12.884 1.00001.00 H ATOM 1641 CZ PHE 107 -8.774 7.346 12.044 1.00001.00 C ATOM 1642 HZ PHE 107 -8.949 6.884 13.016 1.00001.00 H ATOM 1643 C PHE 107 -6.444 7.522 7.231 1.00001.00 C ATOM 1644 O PHE 107 -5.755 6.716 7.861 1.00001.00 O ATOM 1645 N PHE 108 -7.047 7.211 6.080 1.00001.00 N ATOM 1646 HN PHE 108 -7.594 7.898 5.601 1.00001.00 H ATOM 1647 CA PHE 108 -6.927 5.878 5.497 1.00001.00 C ATOM 1648 HA PHE 108 -7.252 5.139 6.228 1.00001.00 H ATOM 1649 CB PHE 108 -7.865 5.724 4.298 1.00001.00 C ATOM 1650 HB1 PHE 108 -7.650 4.773 3.813 1.00001.00 H ATOM 1651 HB2 PHE 108 -7.670 6.539 3.601 1.00001.00 H ATOM 1652 CG PHE 108 -9.334 5.752 4.666 1.00001.00 C ATOM 1653 CD1 PHE 108 -9.994 4.548 4.976 1.00001.00 C ATOM 1654 HD1 PHE 108 -9.446 3.607 4.953 1.00001.00 H ATOM 1655 CD2 PHE 108 -10.047 6.964 4.681 1.00001.00 C ATOM 1656 HD2 PHE 108 -9.540 7.895 4.429 1.00001.00 H ATOM 1657 CE1 PHE 108 -11.359 4.558 5.313 1.00001.00 C ATOM 1658 HE1 PHE 108 -11.867 3.626 5.556 1.00001.00 H ATOM 1659 CE2 PHE 108 -11.411 6.974 5.018 1.00001.00 C ATOM 1660 HE2 PHE 108 -11.962 7.914 5.032 1.00001.00 H ATOM 1661 CZ PHE 108 -12.066 5.772 5.338 1.00001.00 C ATOM 1662 HZ PHE 108 -13.123 5.781 5.605 1.00001.00 H ATOM 1663 C PHE 108 -5.484 5.583 5.098 1.00001.00 C ATOM 1664 O PHE 108 -4.982 4.514 5.420 1.00001.00 O ATOM 1665 N HIS 109 -4.792 6.534 4.469 1.00001.00 N ATOM 1666 HN HIS 109 -5.230 7.404 4.244 1.00001.00 H ATOM 1667 CA HIS 109 -3.395 6.359 4.087 1.00001.00 C ATOM 1668 HA HIS 109 -3.333 5.561 3.348 1.00001.00 H ATOM 1669 CB HIS 109 -2.914 7.643 3.407 1.00001.00 C ATOM 1670 HB1 HIS 109 -2.799 8.416 4.167 1.00001.00 H ATOM 1671 HB2 HIS 109 -3.665 7.954 2.681 1.00001.00 H ATOM 1672 CG HIS 109 -1.602 7.470 2.698 1.00001.00 C ATOM 1673 CD2 HIS 109 -0.552 8.349 2.696 1.00001.00 C ATOM 1674 HD2 HIS 109 -0.395 9.302 3.202 1.00001.00 H ATOM 1675 ND1 HIS 109 -1.259 6.424 1.880 1.00001.00 N ATOM 1676 CE1 HIS 109 -0.041 6.682 1.381 1.00001.00 C ATOM 1677 HE1 HIS 109 0.551 6.098 0.676 1.00001.00 H ATOM 1678 NE2 HIS 109 0.438 7.832 1.866 1.00001.00 N ATOM 1679 HE2 HIS 109 1.297 8.327 1.743 1.00001.00 H ATOM 1680 C HIS 109 -2.499 5.996 5.281 1.00001.00 C ATOM 1681 O HIS 109 -1.771 5.009 5.213 1.00001.00 O ATOM 1682 N LEU 110 -2.563 6.762 6.376 1.00001.00 N ATOM 1683 HN LEU 110 -3.189 7.540 6.405 1.00001.00 H ATOM 1684 CA LEU 110 -1.747 6.521 7.570 1.00001.00 C ATOM 1685 HA LEU 110 -0.696 6.487 7.280 1.00001.00 H ATOM 1686 CB LEU 110 -1.921 7.698 8.545 1.00001.00 C ATOM 1687 HB1 LEU 110 -1.522 7.403 9.514 1.00001.00 H ATOM 1688 HB2 LEU 110 -2.986 7.910 8.639 1.00001.00 H ATOM 1689 CG LEU 110 -1.207 8.987 8.100 1.00001.00 C ATOM 1690 HG LEU 110 -1.323 9.117 7.022 1.00001.00 H ATOM 1691 CD1 LEU 110 -1.825 10.177 8.825 1.00001.00 C ATOM 1692 1HD1 LEU 110 -1.320 11.093 8.516 1.00001.00 H ATOM 1693 2HD1 LEU 110 -1.713 10.046 9.901 1.00001.00 H ATOM 1694 3HD1 LEU 110 -2.884 10.245 8.574 1.00001.00 H ATOM 1695 CD2 LEU 110 0.287 8.969 8.427 1.00001.00 C ATOM 1696 1HD2 LEU 110 0.422 8.912 9.507 1.00001.00 H ATOM 1697 2HD2 LEU 110 0.753 9.880 8.051 1.00001.00 H ATOM 1698 3HD2 LEU 110 0.751 8.102 7.956 1.00001.00 H ATOM 1699 C LEU 110 -2.117 5.201 8.251 1.00001.00 C ATOM 1700 O LEU 110 -1.238 4.443 8.654 1.00001.00 O ATOM 1701 N THR 111 -3.415 4.897 8.309 1.00001.00 N ATOM 1702 HN THR 111 -4.095 5.540 7.957 1.00001.00 H ATOM 1703 CA THR 111 -3.915 3.640 8.875 1.00001.00 C ATOM 1704 HA THR 111 -3.608 3.578 9.919 1.00001.00 H ATOM 1705 CB THR 111 -5.446 3.614 8.866 1.00001.00 C ATOM 1706 HB THR 111 -5.785 3.661 7.832 1.00001.00 H ATOM 1707 CG1 THR 111 -6.039 2.366 9.511 1.00001.00 C ATOM 1708 1HG1 THR 111 -5.586 2.213 10.491 1.00001.00 H ATOM 1709 2HG1 THR 111 -5.837 1.500 8.879 1.00001.00 H ATOM 1710 3HG1 THR 111 -7.115 2.490 9.623 1.00001.00 H ATOM 1711 OG2 THR 111 -5.958 4.730 9.552 1.00001.00 O ATOM 1712 HG2 THR 111 -5.913 5.510 8.977 1.00001.00 H ATOM 1713 C THR 111 -3.376 2.426 8.132 1.00001.00 C ATOM 1714 O THR 111 -2.901 1.473 8.750 1.00001.00 O ATOM 1715 N LEU 112 -3.448 2.457 6.802 1.00001.00 N ATOM 1716 HN LEU 112 -3.835 3.256 6.341 1.00001.00 H ATOM 1717 CA LEU 112 -2.983 1.370 5.950 1.00001.00 C ATOM 1718 HA LEU 112 -3.437 0.437 6.284 1.00001.00 H ATOM 1719 CB LEU 112 -3.476 1.611 4.517 1.00001.00 C ATOM 1720 HB1 LEU 112 -3.044 0.844 3.875 1.00001.00 H ATOM 1721 HB2 LEU 112 -3.126 2.592 4.197 1.00001.00 H ATOM 1722 CG LEU 112 -5.004 1.569 4.355 1.00001.00 C ATOM 1723 HG LEU 112 -5.468 2.161 5.145 1.00001.00 H ATOM 1724 CD1 LEU 112 -5.397 2.140 2.994 1.00001.00 C ATOM 1725 1HD1 LEU 112 -4.932 1.549 2.204 1.00001.00 H ATOM 1726 2HD1 LEU 112 -5.060 3.173 2.922 1.00001.00 H ATOM 1727 3HD1 LEU 112 -6.481 2.103 2.882 1.00001.00 H ATOM 1728 CD2 LEU 112 -5.568 0.163 4.468 1.00001.00 C ATOM 1729 1HD2 LEU 112 -5.345 -0.239 5.458 1.00001.00 H ATOM 1730 2HD2 LEU 112 -5.114 -0.473 3.708 1.00001.00 H ATOM 1731 3HD2 LEU 112 -6.647 0.191 4.322 1.00001.00 H ATOM 1732 C LEU 112 -1.459 1.240 6.015 1.00001.00 C ATOM 1733 O LEU 112 -0.973 0.120 6.153 1.00001.00 O ATOM 1734 N ALA 113 -0.731 2.364 6.028 1.00001.00 N ATOM 1735 HN ALA 113 -1.184 3.253 5.966 1.00001.00 H ATOM 1736 CA ALA 113 0.731 2.383 6.130 1.00001.00 C ATOM 1737 HA ALA 113 1.155 1.886 5.259 1.00001.00 H ATOM 1738 CB ALA 113 1.249 3.838 6.154 1.00001.00 C ATOM 1739 HB1 ALA 113 0.856 4.348 7.034 1.00001.00 H ATOM 1740 HB2 ALA 113 0.918 4.356 5.256 1.00001.00 H ATOM 1741 HB3 ALA 113 2.338 3.835 6.192 1.00001.00 H ATOM 1742 C ALA 113 1.203 1.667 7.395 1.00001.00 C ATOM 1743 O ALA 113 2.026 0.755 7.334 1.00001.00 O ATOM 1761 N GLU 116 0.169 -2.231 7.384 1.00001.00 N ATOM 1762 HN GLU 116 -0.079 -1.308 7.088 1.00001.00 H ATOM 1763 CA GLU 116 0.981 -3.006 6.442 1.00001.00 C ATOM 1764 HA GLU 116 0.455 -3.931 6.202 1.00001.00 H ATOM 1765 CB GLU 116 1.101 -2.220 5.129 1.00001.00 C ATOM 1766 HB1 GLU 116 1.939 -2.616 4.556 1.00001.00 H ATOM 1767 HB2 GLU 116 1.284 -1.170 5.360 1.00001.00 H ATOM 1768 CG GLU 116 -0.173 -2.326 4.281 1.00001.00 C ATOM 1769 HG1 GLU 116 -1.019 -2.004 4.888 1.00001.00 H ATOM 1770 HG2 GLU 116 -0.309 -3.368 3.993 1.00001.00 H ATOM 1771 CD GLU 116 -0.140 -1.472 3.005 1.00001.00 C ATOM 1772 OE1 GLU 116 0.037 -2.091 1.931 1.00001.00 O ATOM 1773 OE2 GLU 116 -0.250 -0.230 3.111 1.00001.00 O ATOM 1774 C GLU 116 2.358 -3.354 7.023 1.00001.00 C ATOM 1775 O GLU 116 2.795 -4.506 6.953 1.00001.00 O ATOM 1776 N VAL 117 3.020 -2.400 7.684 1.00001.00 N ATOM 1777 HN VAL 117 2.623 -1.487 7.774 1.00001.00 H ATOM 1778 CA VAL 117 4.336 -2.623 8.305 1.00001.00 C ATOM 1779 HA VAL 117 5.045 -2.929 7.536 1.00001.00 H ATOM 1780 CB VAL 117 4.882 -1.294 8.865 1.00001.00 C ATOM 1781 HB VAL 117 4.215 -0.946 9.654 1.00001.00 H ATOM 1782 CG1 VAL 117 6.289 -1.439 9.442 1.00001.00 C ATOM 1783 1HG1 VAL 117 6.261 -2.111 10.301 1.00001.00 H ATOM 1784 2HG1 VAL 117 6.654 -0.462 9.757 1.00001.00 H ATOM 1785 3HG1 VAL 117 6.953 -1.848 8.680 1.00001.00 H ATOM 1786 CG2 VAL 117 5.013 -0.229 7.768 1.00001.00 C ATOM 1787 1HG2 VAL 117 4.034 -0.028 7.338 1.00001.00 H ATOM 1788 2HG2 VAL 117 5.684 -0.593 6.988 1.00001.00 H ATOM 1789 3HG2 VAL 117 5.419 0.687 8.197 1.00001.00 H ATOM 1790 C VAL 117 4.262 -3.714 9.385 1.00001.00 C ATOM 1791 O VAL 117 5.111 -4.614 9.426 1.00001.00 O ATOM 1792 N PHE 118 3.232 -3.691 10.237 1.00001.00 N ATOM 1793 HN PHE 118 2.576 -2.936 10.209 1.00001.00 H ATOM 1794 CA PHE 118 3.015 -4.747 11.232 1.00001.00 C ATOM 1795 HA PHE 118 3.934 -4.884 11.801 1.00001.00 H ATOM 1796 CB PHE 118 1.959 -4.306 12.252 1.00001.00 C ATOM 1797 HB1 PHE 118 0.971 -4.473 11.819 1.00001.00 H ATOM 1798 HB2 PHE 118 2.093 -3.244 12.451 1.00001.00 H ATOM 1799 CG PHE 118 2.037 -5.054 13.566 1.00001.00 C ATOM 1800 CD1 PHE 118 1.326 -6.257 13.734 1.00001.00 C ATOM 1801 HD1 PHE 118 0.690 -6.631 12.932 1.00001.00 H ATOM 1802 CD2 PHE 118 2.826 -4.560 14.618 1.00001.00 C ATOM 1803 HD2 PHE 118 3.335 -3.602 14.509 1.00001.00 H ATOM 1804 CE1 PHE 118 1.434 -6.979 14.937 1.00001.00 C ATOM 1805 HE1 PHE 118 0.875 -7.905 15.071 1.00001.00 H ATOM 1806 CE2 PHE 118 2.961 -5.294 15.808 1.00001.00 C ATOM 1807 HE2 PHE 118 3.607 -4.929 16.606 1.00001.00 H ATOM 1808 CZ PHE 118 2.263 -6.503 15.967 1.00001.00 C ATOM 1809 HZ PHE 118 2.363 -7.073 16.891 1.00001.00 H ATOM 1810 C PHE 118 2.627 -6.084 10.591 1.00001.00 C ATOM 1811 O PHE 118 3.080 -7.140 11.042 1.00001.00 O ATOM 2437 N MET 158 -4.663 0.284 13.316 1.00001.00 N ATOM 2438 HN MET 158 -4.747 -0.693 13.513 1.00001.00 H ATOM 2439 CA MET 158 -5.762 1.164 13.737 1.00001.00 C ATOM 2440 HA MET 158 -6.166 1.666 12.858 1.00001.00 H ATOM 2441 CB MET 158 -6.900 0.336 14.348 1.00001.00 C ATOM 2442 HB1 MET 158 -7.627 1.015 14.794 1.00001.00 H ATOM 2443 HB2 MET 158 -6.486 -0.311 15.121 1.00001.00 H ATOM 2444 CG MET 158 -7.613 -0.534 13.311 1.00001.00 C ATOM 2445 HG1 MET 158 -8.202 -1.284 13.839 1.00001.00 H ATOM 2446 HG2 MET 158 -6.858 -1.029 12.699 1.00001.00 H ATOM 2447 SD MET 158 -8.717 0.386 12.215 1.00001.00 S ATOM 2448 CE MET 158 -7.695 0.438 10.722 1.00001.00 C ATOM 2449 HE1 MET 158 -7.749 -0.525 10.212 1.00001.00 H ATOM 2450 HE2 MET 158 -6.660 0.645 10.997 1.00001.00 H ATOM 2451 HE3 MET 158 -8.058 1.223 10.059 1.00001.00 H ATOM 2452 C MET 158 -5.302 2.222 14.743 1.00001.00 C ATOM 2453 O MET 158 -5.781 3.352 14.689 1.00001.00 O ATOM 2470 N ASP 160 -2.282 3.620 14.725 1.00001.00 N ATOM 2471 HN ASP 160 -2.134 2.657 14.501 1.00001.00 H ATOM 2472 CA ASP 160 -1.649 4.627 13.858 1.00001.00 C ATOM 2473 HA ASP 160 -0.969 5.229 14.460 1.00001.00 H ATOM 2474 CB ASP 160 -0.823 3.973 12.735 1.00001.00 C ATOM 2475 HB1 ASP 160 -0.685 4.702 11.937 1.00001.00 H ATOM 2476 HB2 ASP 160 -1.376 3.116 12.352 1.00001.00 H ATOM 2477 CG ASP 160 0.536 3.503 13.197 1.00001.00 C ATOM 2478 OD1 ASP 160 1.493 4.274 12.960 1.00001.00 O ATOM 2479 OD2 ASP 160 0.596 2.365 13.715 1.00001.00 O ATOM 2480 C ASP 160 -2.665 5.549 13.197 1.00001.00 C ATOM 2481 O ASP 160 -2.551 6.775 13.285 1.00001.00 O ATOM 2527 N LEU 164 -2.540 9.472 14.392 1.00001.00 N ATOM 2528 HN LEU 164 -2.573 8.519 14.092 1.00001.00 H ATOM 2529 CA LEU 164 -1.904 10.439 13.500 1.00001.00 C ATOM 2530 HA LEU 164 -1.325 11.139 14.103 1.00001.00 H ATOM 2531 CB LEU 164 -0.884 9.709 12.614 1.00001.00 C ATOM 2532 HB1 LEU 164 -0.510 10.420 11.879 1.00001.00 H ATOM 2533 HB2 LEU 164 -1.404 8.899 12.104 1.00001.00 H ATOM 2534 CG LEU 164 0.328 9.105 13.348 1.00001.00 C ATOM 2535 HG LEU 164 -0.013 8.548 14.222 1.00001.00 H ATOM 2536 CD1 LEU 164 1.069 8.165 12.400 1.00001.00 C ATOM 2537 1HD1 LEU 164 1.918 7.719 12.918 1.00001.00 H ATOM 2538 2HD1 LEU 164 1.424 8.725 11.535 1.00001.00 H ATOM 2539 3HD1 LEU 164 0.393 7.376 12.067 1.00001.00 H ATOM 2540 CD2 LEU 164 1.314 10.176 13.827 1.00001.00 C ATOM 2541 1HD2 LEU 164 0.809 10.855 14.514 1.00001.00 H ATOM 2542 2HD2 LEU 164 1.684 10.737 12.969 1.00001.00 H ATOM 2543 3HD2 LEU 164 2.151 9.698 14.337 1.00001.00 H ATOM 2544 C LEU 164 -2.913 11.230 12.666 1.00001.00 C ATOM 2545 O LEU 164 -2.670 12.411 12.401 1.00001.00 O ATOM 2872 N GLU 185 -2.395 14.526 0.951 1.00001.00 N ATOM 2873 HN GLU 185 -2.280 15.140 0.170 1.00001.00 H ATOM 2874 CA GLU 185 -1.217 13.774 1.365 1.00001.00 C ATOM 2875 HA GLU 185 -1.522 12.773 1.668 1.00001.00 H ATOM 2876 CB GLU 185 -0.271 13.601 0.172 1.00001.00 C ATOM 2877 HB1 GLU 185 0.307 14.515 0.037 1.00001.00 H ATOM 2878 HB2 GLU 185 -0.858 13.406 -0.724 1.00001.00 H ATOM 2879 CG GLU 185 0.689 12.429 0.411 1.00001.00 C ATOM 2880 HG1 GLU 185 0.106 11.556 0.706 1.00001.00 H ATOM 2881 HG2 GLU 185 1.373 12.698 1.218 1.00001.00 H ATOM 2882 CD GLU 185 1.518 12.066 -0.829 1.00001.00 C ATOM 2883 OE1 GLU 185 1.024 11.238 -1.621 1.00001.00 O ATOM 2884 OE2 GLU 185 2.614 12.649 -1.018 1.00001.00 O ATOM 2885 C GLU 185 -0.505 14.457 2.538 1.00001.00 C ATOM 2886 O GLU 185 -0.218 15.661 2.506 1.00001.00 O ATOM 2887 N THR 186 -0.368 13.935 3.711 1.00001.00 N ATOM 2888 HN THR 186 -0.407 12.936 3.696 1.00001.00 H ATOM 2889 CA THR 186 -0.013 14.563 4.988 1.00001.00 C ATOM 2890 HA THR 186 -0.868 15.145 5.331 1.00001.00 H ATOM 2891 CB THR 186 0.220 13.510 6.077 1.00001.00 C ATOM 2892 HB THR 186 1.178 13.020 5.904 1.00001.00 H ATOM 2893 CG1 THR 186 0.232 14.164 7.453 1.00001.00 C ATOM 2894 1HG1 THR 186 1.120 14.787 7.552 1.00001.00 H ATOM 2895 2HG1 THR 186 0.242 13.391 8.222 1.00001.00 H ATOM 2896 3HG1 THR 186 -0.660 14.780 7.570 1.00001.00 H ATOM 2897 OG2 THR 186 -0.774 12.515 6.037 1.00001.00 O ATOM 2898 HG2 THR 186 -0.357 11.643 5.959 1.00001.00 H ATOM 2899 C THR 186 1.207 15.496 4.920 1.00001.00 C ATOM 2900 O THR 186 1.107 16.628 5.406 1.00001.00 O ATOM 2901 N PRO 187 2.429 15.154 4.351 1.00001.00 N ATOM 2902 CA PRO 187 3.597 16.031 4.289 1.00001.00 C ATOM 2903 HA PRO 187 3.872 16.318 5.304 1.00001.00 H ATOM 2904 CB PRO 187 4.725 15.188 3.673 1.00001.00 C ATOM 2905 HB1 PRO 187 5.674 15.387 4.171 1.00001.00 H ATOM 2906 HB2 PRO 187 4.824 15.394 2.606 1.00001.00 H ATOM 2907 CG PRO 187 4.281 13.747 3.906 1.00001.00 C ATOM 2908 HG1 PRO 187 4.543 13.403 4.907 1.00001.00 H ATOM 2909 HG2 PRO 187 4.709 13.070 3.167 1.00001.00 H ATOM 2910 CD PRO 187 2.775 13.881 3.737 1.00001.00 C ATOM 2911 HD1 PRO 187 2.260 13.062 4.241 1.00001.00 H ATOM 2912 HD2 PRO 187 2.508 13.881 2.680 1.00001.00 H ATOM 2913 C PRO 187 3.337 17.302 3.474 1.00001.00 C ATOM 2914 O PRO 187 3.863 18.362 3.815 1.00001.00 O ATOM 3187 N TYR 205 6.982 8.242 13.957 1.00001.00 N ATOM 3188 HN TYR 205 6.962 9.200 14.243 1.00001.00 H ATOM 3189 CA TYR 205 8.288 7.586 13.887 1.00001.00 C ATOM 3190 HA TYR 205 8.469 7.272 12.858 1.00001.00 H ATOM 3191 CB TYR 205 9.373 8.608 14.236 1.00001.00 C ATOM 3192 HB1 TYR 205 8.930 9.373 14.876 1.00001.00 H ATOM 3193 HB2 TYR 205 9.723 9.067 13.311 1.00001.00 H ATOM 3194 CG TYR 205 10.565 8.021 14.956 1.00001.00 C ATOM 3195 CD1 TYR 205 10.462 7.631 16.306 1.00001.00 C ATOM 3196 HD1 TYR 205 9.513 7.731 16.834 1.00001.00 H ATOM 3197 CD2 TYR 205 11.784 7.874 14.269 1.00001.00 C ATOM 3198 HD2 TYR 205 11.858 8.176 13.225 1.00001.00 H ATOM 3199 CE1 TYR 205 11.587 7.110 16.972 1.00001.00 C ATOM 3200 HE1 TYR 205 11.516 6.826 18.022 1.00001.00 H ATOM 3201 CE2 TYR 205 12.906 7.342 14.929 1.00001.00 C ATOM 3202 HE2 TYR 205 13.851 7.227 14.397 1.00001.00 H ATOM 3203 CZ TYR 205 12.806 6.957 16.280 1.00001.00 C ATOM 3204 OH TYR 205 13.884 6.414 16.907 1.00001.00 O ATOM 3205 HH TYR 205 13.815 6.131 17.832 1.00001.00 H ATOM 3206 C TYR 205 8.363 6.355 14.802 1.00001.00 C ATOM 3207 O TYR 205 8.775 5.283 14.359 1.00001.00 O ATOM 3287 N MET 211 5.997 -1.067 14.273 1.00001.00 N ATOM 3288 HN MET 211 6.001 -0.069 14.205 1.00001.00 H ATOM 3289 CA MET 211 5.192 -1.778 13.288 1.00001.00 C ATOM 3290 HA MET 211 4.750 -2.649 13.773 1.00001.00 H ATOM 3291 CB MET 211 4.023 -0.910 12.854 1.00001.00 C ATOM 3292 HB1 MET 211 3.627 -1.271 11.904 1.00001.00 H ATOM 3293 HB2 MET 211 4.352 0.123 12.740 1.00001.00 H ATOM 3294 CG MET 211 2.946 -0.991 13.925 1.00001.00 C ATOM 3295 HG1 MET 211 3.321 -0.560 14.853 1.00001.00 H ATOM 3296 HG2 MET 211 2.677 -2.034 14.093 1.00001.00 H ATOM 3297 SD MET 211 1.522 -0.094 13.389 1.00001.00 S ATOM 3298 CE MET 211 0.714 -1.224 12.230 1.00001.00 C ATOM 3299 HE1 MET 211 0.230 -2.028 12.786 1.00001.00 H ATOM 3300 HE2 MET 211 1.457 -1.645 11.555 1.00001.00 H ATOM 3301 HE3 MET 211 -0.033 -0.681 11.654 1.00001.00 H ATOM 3302 C MET 211 5.964 -2.254 12.070 1.00001.00 C ATOM 3303 O MET 211 5.543 -3.242 11.489 1.00001.00 O ATOM 3304 N LEU 212 7.094 -1.643 11.700 1.00001.00 N ATOM 3305 HN LEU 212 7.368 -0.787 12.140 1.00001.00 H ATOM 3306 CA LEU 212 7.976 -2.178 10.655 1.00001.00 C ATOM 3307 HA LEU 212 7.367 -2.656 9.888 1.00001.00 H ATOM 3308 CB LEU 212 8.745 -1.067 9.914 1.00001.00 C ATOM 3309 HB1 LEU 212 9.681 -1.491 9.550 1.00001.00 H ATOM 3310 HB2 LEU 212 8.959 -0.271 10.627 1.00001.00 H ATOM 3311 CG LEU 212 8.008 -0.444 8.714 1.00001.00 C ATOM 3312 HG LEU 212 7.816 -1.236 7.990 1.00001.00 H ATOM 3313 CD1 LEU 212 6.676 0.230 9.038 1.00001.00 C ATOM 3314 1HD1 LEU 212 6.671 0.541 10.083 1.00001.00 H ATOM 3315 2HD1 LEU 212 5.862 -0.474 8.866 1.00001.00 H ATOM 3316 3HD1 LEU 212 6.544 1.102 8.399 1.00001.00 H ATOM 3317 CD2 LEU 212 8.924 0.594 8.059 1.00001.00 C ATOM 3318 1HD2 LEU 212 8.547 1.595 8.268 1.00001.00 H ATOM 3319 2HD2 LEU 212 8.944 0.432 6.981 1.00001.00 H ATOM 3320 3HD2 LEU 212 9.932 0.493 8.460 1.00001.00 H ATOM 3321 C LEU 212 8.958 -3.204 11.221 1.00001.00 C ATOM 3322 O LEU 212 9.285 -4.159 10.522 1.00001.00 O ATOM 4013 N LEU 256 9.004 -2.162 1.269 1.00001.00 N ATOM 4014 HN LEU 256 9.069 -3.144 1.093 1.00001.00 H ATOM 4015 CA LEU 256 8.050 -1.726 2.289 1.00001.00 C ATOM 4016 HA LEU 256 7.475 -0.888 1.893 1.00001.00 H ATOM 4017 CB LEU 256 7.023 -2.837 2.531 1.00001.00 C ATOM 4018 HB1 LEU 256 6.505 -2.643 3.471 1.00001.00 H ATOM 4019 HB2 LEU 256 7.544 -3.793 2.594 1.00001.00 H ATOM 4020 CG LEU 256 5.987 -2.908 1.396 1.00001.00 C ATOM 4021 HG LEU 256 6.488 -2.785 0.436 1.00001.00 H ATOM 4022 CD1 LEU 256 5.304 -4.256 1.446 1.00001.00 C ATOM 4023 1HD1 LEU 256 4.745 -4.345 2.377 1.00001.00 H ATOM 4024 2HD1 LEU 256 6.054 -5.045 1.396 1.00001.00 H ATOM 4025 3HD1 LEU 256 4.621 -4.349 0.601 1.00001.00 H ATOM 4026 CD2 LEU 256 4.925 -1.816 1.513 1.00001.00 C ATOM 4027 1HD2 LEU 256 4.541 -1.790 2.534 1.00001.00 H ATOM 4028 2HD2 LEU 256 4.108 -2.027 0.823 1.00001.00 H ATOM 4029 3HD2 LEU 256 5.367 -0.850 1.267 1.00001.00 H ATOM 4030 C LEU 256 8.733 -1.285 3.580 1.00001.00 C ATOM 4031 O LEU 256 8.510 -0.166 4.026 1.00001.00 O ATOM 4032 N PHE 257 9.628 -2.096 4.152 1.00001.00 N ATOM 4033 HN PHE 257 9.824 -2.989 3.745 1.00001.00 H ATOM 4034 CA PHE 257 10.342 -1.708 5.374 1.00001.00 C ATOM 4035 HA PHE 257 9.611 -1.451 6.141 1.00001.00 H ATOM 4036 CB PHE 257 11.156 -2.881 5.930 1.00001.00 C ATOM 4037 HB1 PHE 257 11.809 -2.505 6.719 1.00001.00 H ATOM 4038 HB2 PHE 257 11.762 -3.291 5.123 1.00001.00 H ATOM 4039 CG PHE 257 10.306 -3.992 6.503 1.00001.00 C ATOM 4040 CD1 PHE 257 9.861 -3.909 7.836 1.00001.00 C ATOM 4041 HD1 PHE 257 10.145 -3.059 8.457 1.00001.00 H ATOM 4042 CD2 PHE 257 9.909 -5.079 5.705 1.00001.00 C ATOM 4043 HD2 PHE 257 10.205 -5.113 4.656 1.00001.00 H ATOM 4044 CE1 PHE 257 9.050 -4.925 8.366 1.00001.00 C ATOM 4045 HE1 PHE 257 8.669 -4.841 9.384 1.00001.00 H ATOM 4046 CE2 PHE 257 9.135 -6.115 6.248 1.00001.00 C ATOM 4047 HE2 PHE 257 8.850 -6.968 5.634 1.00001.00 H ATOM 4048 CZ PHE 257 8.729 -6.048 7.588 1.00001.00 C ATOM 4049 HZ PHE 257 8.163 -6.871 8.027 1.00001.00 H ATOM 4050 C PHE 257 11.260 -0.508 5.146 1.00001.00 C ATOM 4051 O PHE 257 11.386 0.336 6.034 1.00001.00 O ATOM 4059 N ALA 259 10.656 1.965 2.935 1.00001.00 N ATOM 4060 HN ALA 259 10.382 1.129 2.460 1.00001.00 H ATOM 4061 CA ALA 259 9.712 3.078 2.912 1.00001.00 C ATOM 4062 HA ALA 259 10.208 3.952 2.488 1.00001.00 H ATOM 4063 CB ALA 259 8.566 2.736 1.953 1.00001.00 C ATOM 4064 HB1 ALA 259 8.106 1.796 2.257 1.00001.00 H ATOM 4065 HB2 ALA 259 8.957 2.638 0.940 1.00001.00 H ATOM 4066 HB3 ALA 259 7.821 3.531 1.979 1.00001.00 H ATOM 4067 C ALA 259 9.200 3.431 4.318 1.00001.00 C ATOM 4068 O ALA 259 9.254 4.593 4.705 1.00001.00 O ATOM 4069 N SER 260 8.794 2.448 5.130 1.00001.00 N ATOM 4070 HN SER 260 8.793 1.501 4.808 1.00001.00 H ATOM 4071 CA SER 260 8.337 2.695 6.505 1.00001.00 C ATOM 4072 HA SER 260 7.484 3.373 6.475 1.00001.00 H ATOM 4073 CB SER 260 7.872 1.398 7.175 1.00001.00 C ATOM 4074 HB1 SER 260 7.470 1.636 8.161 1.00001.00 H ATOM 4075 HB2 SER 260 8.727 0.732 7.282 1.00001.00 H ATOM 4076 OG SER 260 6.876 0.743 6.424 1.00001.00 O ATOM 4077 HG SER 260 7.275 0.349 5.632 1.00001.00 H ATOM 4078 C SER 260 9.428 3.317 7.379 1.00001.00 C ATOM 4079 O SER 260 9.160 4.242 8.145 1.00001.00 O ATOM 4080 N PHE 261 10.673 2.846 7.259 1.00001.00 N ATOM 4081 HN PHE 261 10.857 2.063 6.664 1.00001.00 H ATOM 4082 CA PHE 261 11.803 3.433 7.974 1.00001.00 C ATOM 4083 HA PHE 261 11.601 3.403 9.045 1.00001.00 H ATOM 4084 CB PHE 261 13.059 2.582 7.743 1.00001.00 C ATOM 4085 HB1 PHE 261 13.936 3.219 7.857 1.00001.00 H ATOM 4086 HB2 PHE 261 13.028 2.186 6.729 1.00001.00 H ATOM 4087 CG PHE 261 13.175 1.423 8.713 1.00001.00 C ATOM 4088 CD1 PHE 261 13.961 1.545 9.874 1.00001.00 C ATOM 4089 HD1 PHE 261 14.520 2.464 10.060 1.00001.00 H ATOM 4090 CD2 PHE 261 12.460 0.236 8.476 1.00001.00 C ATOM 4091 HD2 PHE 261 11.849 0.140 7.577 1.00001.00 H ATOM 4092 CE1 PHE 261 14.030 0.486 10.796 1.00001.00 C ATOM 4093 HE1 PHE 261 14.635 0.584 11.695 1.00001.00 H ATOM 4094 CE2 PHE 261 12.529 -0.826 9.394 1.00001.00 C ATOM 4095 HE2 PHE 261 11.977 -1.747 9.207 1.00001.00 H ATOM 4096 CZ PHE 261 13.313 -0.702 10.555 1.00001.00 C ATOM 4097 HZ PHE 261 13.365 -1.524 11.269 1.00001.00 H ATOM 4098 C PHE 261 12.032 4.887 7.547 1.00001.00 C ATOM 4099 O PHE 261 12.204 5.757 8.401 1.00001.00 O ATOM 4100 N TYR 262 11.986 5.163 6.244 1.00001.00 N ATOM 4101 HN TYR 262 11.859 4.426 5.581 1.00001.00 H ATOM 4102 CA TYR 262 12.116 6.519 5.720 1.00001.00 C ATOM 4103 HA TYR 262 13.083 6.922 6.024 1.00001.00 H ATOM 4104 CB TYR 262 12.134 6.459 4.190 1.00001.00 C ATOM 4105 HB1 TYR 262 11.148 6.153 3.842 1.00001.00 H ATOM 4106 HB2 TYR 262 12.874 5.721 3.880 1.00001.00 H ATOM 4107 CG TYR 262 12.479 7.783 3.554 1.00001.00 C ATOM 4108 CD1 TYR 262 11.453 8.655 3.141 1.00001.00 C ATOM 4109 HD1 TYR 262 10.409 8.375 3.283 1.00001.00 H ATOM 4110 CD2 TYR 262 13.829 8.158 3.410 1.00001.00 C ATOM 4111 HD2 TYR 262 14.620 7.493 3.758 1.00001.00 H ATOM 4112 CE1 TYR 262 11.775 9.889 2.546 1.00001.00 C ATOM 4113 HE1 TYR 262 10.987 10.568 2.224 1.00001.00 H ATOM 4114 CE2 TYR 262 14.154 9.389 2.818 1.00001.00 C ATOM 4115 HE2 TYR 262 15.197 9.688 2.705 1.00001.00 H ATOM 4116 CZ TYR 262 13.124 10.242 2.369 1.00001.00 C ATOM 4117 OH TYR 262 13.447 11.396 1.743 1.00001.00 O ATOM 4118 HH TYR 262 14.379 11.639 1.622 1.00001.00 H ATOM 4119 C TYR 262 11.008 7.448 6.235 1.00001.00 C ATOM 4120 O TYR 262 11.309 8.517 6.746 1.00001.00 O ATOM 4121 N THR 263 9.953 7.179 5.924 1.00001.00 N ATOM 4122 HN THR 263 9.716 6.243 5.663 1.00001.00 H ATOM 4123 CA THR 263 8.843 8.092 6.239 1.00001.00 C ATOM 4124 HA THR 263 9.004 9.029 5.707 1.00001.00 H ATOM 4125 CB THR 263 7.530 7.504 5.697 1.00001.00 C ATOM 4126 HB THR 263 7.492 6.447 5.963 1.00001.00 H ATOM 4127 CG1 THR 263 6.276 8.181 6.237 1.00001.00 C ATOM 4128 1HG1 THR 263 6.130 7.897 7.280 1.00001.00 H ATOM 4129 2HG1 THR 263 5.411 7.866 5.651 1.00001.00 H ATOM 4130 3HG1 THR 263 6.388 9.263 6.167 1.00001.00 H ATOM 4131 OG2 THR 263 7.481 7.670 4.299 1.00001.00 O ATOM 4132 HG2 THR 263 7.534 6.802 3.869 1.00001.00 H ATOM 4133 C THR 263 8.716 8.397 7.735 1.00001.00 C ATOM 4134 O THR 263 8.385 9.524 8.103 1.00001.00 O ATOM 4135 N TYR 264 9.193 7.668 8.362 1.00001.00 N ATOM 4136 HN TYR 264 9.582 6.790 8.082 1.00001.00 H ATOM 4137 CA TYR 264 8.878 7.852 9.787 1.00001.00 C ATOM 4138 HA TYR 264 8.321 8.783 9.894 1.00001.00 H ATOM 4139 CB TYR 264 7.914 6.745 10.238 1.00001.00 C ATOM 4140 HB1 TYR 264 7.825 6.787 11.323 1.00001.00 H ATOM 4141 HB2 TYR 264 8.334 5.783 9.945 1.00001.00 H ATOM 4142 CG TYR 264 6.525 6.864 9.638 1.00001.00 C ATOM 4143 CD1 TYR 264 5.488 7.431 10.401 1.00001.00 C ATOM 4144 HD1 TYR 264 5.684 7.777 11.416 1.00001.00 H ATOM 4145 CD2 TYR 264 6.268 6.422 8.324 1.00001.00 C ATOM 4146 HD2 TYR 264 7.072 5.977 7.738 1.00001.00 H ATOM 4147 CE1 TYR 264 4.196 7.552 9.854 1.00001.00 C ATOM 4148 HE1 TYR 264 3.394 7.985 10.452 1.00001.00 H ATOM 4149 CE2 TYR 264 4.979 6.552 7.770 1.00001.00 C ATOM 4150 HE2 TYR 264 4.784 6.219 6.749 1.00001.00 H ATOM 4151 CZ TYR 264 3.938 7.116 8.539 1.00001.00 C ATOM 4152 OH TYR 264 2.682 7.250 8.039 1.00001.00 O ATOM 4153 HH TYR 264 2.484 6.956 7.136 1.00001.00 H ATOM 4154 C TYR 264 10.097 7.917 10.713 1.00001.00 C ATOM 4155 O TYR 264 10.005 8.516 11.786 1.00001.00 O ATOM 4156 N MET 265 11.461 7.544 10.081 1.00001.00 N ATOM 4157 HN MET 265 11.496 7.073 9.199 1.00001.00 H ATOM 4158 CA MET 265 12.660 7.470 10.929 1.00001.00 C ATOM 4159 HA MET 265 12.395 7.789 11.936 1.00001.00 H ATOM 4160 CB MET 265 13.142 6.017 11.067 1.00001.00 C ATOM 4161 HB1 MET 265 14.063 6.008 11.649 1.00001.00 H ATOM 4162 HB2 MET 265 13.339 5.619 10.071 1.00001.00 H ATOM 4163 CG MET 265 12.118 5.120 11.758 1.00001.00 C ATOM 4164 HG1 MET 265 11.573 4.563 10.996 1.00001.00 H ATOM 4165 HG2 MET 265 11.422 5.749 12.315 1.00001.00 H ATOM 4166 SD MET 265 12.876 3.942 12.902 1.00001.00 S ATOM 4167 CE MET 265 11.388 3.146 13.532 1.00001.00 C ATOM 4168 HE1 MET 265 10.774 3.883 14.048 1.00001.00 H ATOM 4169 HE2 MET 265 11.667 2.355 14.227 1.00001.00 H ATOM 4170 HE3 MET 265 10.826 2.719 12.703 1.00001.00 H ATOM 4171 C MET 265 13.798 8.349 10.424 1.00001.00 C ATOM 4172 O MET 265 14.578 8.865 11.231 1.00001.00 O ATOM 4435 N TYR 283 4.979 2.685 -5.863 1.00001.00 N ATOM 4436 HN TYR 283 5.527 3.514 -5.750 1.00001.00 H ATOM 4437 CA TYR 283 4.257 2.143 -4.712 1.00001.00 C ATOM 4438 HA TYR 283 4.342 1.057 -4.729 1.00001.00 H ATOM 4439 CB TYR 283 5.012 2.440 -3.410 1.00001.00 C ATOM 4440 HB1 TYR 283 6.054 2.155 -3.556 1.00001.00 H ATOM 4441 HB2 TYR 283 4.574 1.825 -2.623 1.00001.00 H ATOM 4442 CG TYR 283 4.987 3.876 -2.944 1.00001.00 C ATOM 4443 CD1 TYR 283 6.138 4.686 -2.994 1.00001.00 C ATOM 4444 HD1 TYR 283 7.063 4.281 -3.405 1.00001.00 H ATOM 4445 CD2 TYR 283 3.806 4.379 -2.379 1.00001.00 C ATOM 4446 HD2 TYR 283 2.932 3.738 -2.269 1.00001.00 H ATOM 4447 CE1 TYR 283 6.099 6.012 -2.516 1.00001.00 C ATOM 4448 HE1 TYR 283 7.006 6.616 -2.494 1.00001.00 H ATOM 4449 CE2 TYR 283 3.755 5.712 -1.954 1.00001.00 C ATOM 4450 HE2 TYR 283 2.825 6.094 -1.531 1.00001.00 H ATOM 4451 CZ TYR 283 4.879 6.557 -2.066 1.00001.00 C ATOM 4452 OH TYR 283 4.768 7.871 -1.735 1.00001.00 O ATOM 4453 HH TYR 283 5.539 8.455 -1.808 1.00001.00 H ATOM 4454 C TYR 283 2.761 2.518 -4.704 1.00001.00 C ATOM 4455 O TYR 283 1.960 1.723 -4.233 1.00001.00 O TER END 9 pose(s) found. Calculation took: 1200 seconds.