PDB file: /mnt/tempusvernum/primarydock/pdbs/coupled/OR2/OR2AG1_hGNAS2.pdb Ligand: sdf/isoamyl acetate.sdf Static dock - no path nodes. Pose: 1 Node: 0 # Binding energies BENERG: Met69: -0.0365722 Phe73: -0.160885 Met101: -0 Phe102: -0 Ala104: 0.252433 Leu105: -0.227156 Thr106: 0.250383 Met107: 0.312873 Gly108: 0.955983 Gly109: -0.827984 Glu111: 0.89875 Asp112: -0.779367 Leu113: -0.0178782 Leu114: -0 Leu115: -0.0363935 Tyr159: -0.0159223 Glu180: -0.0626047 Tyr200: -0.0159337 Met202: -0.0163553 Phe206: -0.574282 Leu207: 0.326041 Met250: -0 Phe251: 0.404655 Tyr252: -0.0471121 Ala255: -0.836234 Phe257: -0 Met258: -0.18635 Tyr259: -0.638085 Tyr278: -11.1047 Total ionic: -0 Total H-bond: -11.652 Total pi stack: -0.00102459 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -7.11501 Total: -12.1827 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 82.0826 Proximity: 3.0176 Protein clashes: -2.92419 # van der Waals repulsion vdWRPL: Phe73: 0.377696 Ala104: 0.00649096 Met107: 0.0235005 Gly108: 1.3497 Glu111: 0.0216456 Asp112: 0.00677856 Phe206: 0.562348 Leu207: 2.05961 Phe251: 1.24727 Ala255: 0.0128608 Tyr259: 0.78749 Tyr278: 1.35029 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 1.931 3.713 4.349 1.00001.00 O HETATM 9001 O2 LIG 0 2.645 2.595 2.457 1.00001.00 O HETATM 9002 C3 LIG 0 4.683 4.748 6.735 1.00001.00 C HETATM 9003 C4 LIG 0 3.282 4.580 6.126 1.00001.00 C HETATM 9004 C5 LIG 0 3.274 3.823 4.803 1.00001.00 C HETATM 9005 C6 LIG 0 4.646 5.805 7.841 1.00001.00 C HETATM 9006 C7 LIG 0 5.238 3.436 7.292 1.00001.00 C HETATM 9007 C8 LIG 0 1.759 3.072 3.153 1.00001.00 C HETATM 9008 C9 LIG 0 0.302 3.031 2.803 1.00001.00 C HETATM 9009 H10 LIG 0 5.355 5.097 5.941 1.00001.00 H HETATM 9010 H11 LIG 0 2.822 5.566 5.981 1.00001.00 H HETATM 9011 H12 LIG 0 2.629 4.059 6.839 1.00001.00 H HETATM 9012 H13 LIG 0 3.859 4.357 4.047 1.00001.00 H HETATM 9013 H14 LIG 0 3.679 2.813 4.928 1.00001.00 H HETATM 9014 H15 LIG 0 5.666 6.055 8.155 1.00001.00 H HETATM 9015 H16 LIG 0 4.113 5.460 8.732 1.00001.00 H HETATM 9016 H17 LIG 0 4.175 6.729 7.489 1.00001.00 H HETATM 9017 H18 LIG 0 4.674 3.083 8.161 1.00001.00 H HETATM 9018 H19 LIG 0 6.278 3.568 7.609 1.00001.00 H HETATM 9019 H20 LIG 0 5.220 2.652 6.529 1.00001.00 H HETATM 9020 H21 LIG 0 -0.095 4.048 2.751 1.00001.00 H HETATM 9021 H22 LIG 0 -0.241 2.443 3.546 1.00001.00 H HETATM 9022 H23 LIG 0 0.178 2.558 1.825 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.398 1.684 -1.275 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.880 1.897 0.425 1.00001.00 H ATOM 1149 CG PHE 73 -3.468 3.316 -0.285 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.206 2.858 -0.705 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.127 1.920 -1.252 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.563 4.557 0.388 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.542 4.929 0.694 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.052 3.604 -0.419 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.077 3.241 -0.742 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.412 5.307 0.663 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.491 6.268 1.171 1.00001.00 H ATOM 1158 CZ PHE 73 -1.152 4.817 0.284 1.00001.00 C ATOM 1159 HZ PHE 73 -0.251 5.377 0.533 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.905 13.180 6.353 1.00001.00 H ATOM 1576 HB2 MET 101 -5.035 13.703 4.891 1.00001.00 H ATOM 1577 CG MET 101 -3.777 12.898 6.435 1.00001.00 C ATOM 1578 HG1 MET 101 -2.997 12.558 5.753 1.00001.00 H ATOM 1579 HG2 MET 101 -3.882 12.182 7.250 1.00001.00 H ATOM 1580 SD MET 101 -3.253 14.484 7.141 1.00001.00 S ATOM 1581 CE MET 101 -4.657 14.790 8.233 1.00001.00 C ATOM 1582 HE1 MET 101 -4.430 15.629 8.891 1.00001.00 H ATOM 1583 HE2 MET 101 -4.853 13.902 8.832 1.00001.00 H ATOM 1584 HE3 MET 101 -5.537 15.027 7.635 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.306 9.001 7.873 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.929 10.741 7.839 1.00001.00 H ATOM 1594 CG PHE 102 -8.649 9.807 9.731 1.00001.00 C ATOM 1595 CD1 PHE 102 -9.149 8.708 10.454 1.00001.00 C ATOM 1596 HD1 PHE 102 -9.566 7.852 9.922 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.114 10.911 10.417 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.729 11.766 9.862 1.00001.00 H ATOM 1599 CE1 PHE 102 -9.113 8.711 11.860 1.00001.00 C ATOM 1600 HE1 PHE 102 -9.499 7.858 12.419 1.00001.00 H ATOM 1601 CE2 PHE 102 -8.078 10.913 11.822 1.00001.00 C ATOM 1602 HE2 PHE 102 -7.663 11.770 12.352 1.00001.00 H ATOM 1603 CZ PHE 102 -8.573 9.814 12.544 1.00001.00 C ATOM 1604 HZ PHE 102 -8.539 9.816 13.633 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.707 7.782 2.673 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.714 8.830 3.699 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.337 8.252 2.135 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.438 7.421 9.176 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.901 8.009 8.350 1.00001.00 H ATOM 1643 CG LEU 105 -2.111 9.082 7.862 1.00001.00 C ATOM 1644 HG LEU 105 -2.353 9.360 6.837 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.568 10.185 8.816 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.179 11.144 8.475 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.193 9.977 9.818 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.657 10.220 8.837 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.592 8.943 7.971 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.326 8.648 8.987 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.122 9.896 7.734 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.246 8.182 7.273 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.246 1.122 3.129 1.00001.00 H ATOM 1675 HB2 MET 107 -4.091 2.872 3.424 1.00001.00 H ATOM 1676 CG MET 107 -6.103 2.137 3.467 1.00001.00 C ATOM 1677 HG1 MET 107 -6.318 3.205 3.487 1.00001.00 H ATOM 1678 HG2 MET 107 -6.641 1.642 4.275 1.00001.00 H ATOM 1679 SD MET 107 -6.736 1.478 1.901 1.00001.00 S ATOM 1680 CE MET 107 -8.503 1.668 2.239 1.00001.00 C ATOM 1681 HE1 MET 107 -8.791 1.005 3.056 1.00001.00 H ATOM 1682 HE2 MET 107 -9.073 1.412 1.346 1.00001.00 H ATOM 1683 HE3 MET 107 -8.711 2.700 2.520 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.498 -2.545 4.123 1.00001.00 H ATOM 1716 HB2 GLU 111 0.064 -1.019 4.930 1.00001.00 H ATOM 1717 CG GLU 111 -1.563 -1.964 3.882 1.00001.00 C ATOM 1718 HG1 GLU 111 -2.329 -1.476 4.488 1.00001.00 H ATOM 1719 HG2 GLU 111 -1.877 -2.983 3.653 1.00001.00 H ATOM 1720 CD GLU 111 -1.432 -1.191 2.558 1.00001.00 C ATOM 1721 OE1 GLU 111 -2.489 -1.018 1.900 1.00001.00 O ATOM 1722 OE2 GLU 111 -0.294 -0.826 2.186 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.321 -0.735 9.491 1.00001.00 H ATOM 1731 HB2 ASP 112 3.291 -0.251 8.080 1.00001.00 H ATOM 1732 CG ASP 112 4.407 -1.210 9.641 1.00001.00 C ATOM 1733 OD1 ASP 112 5.429 -1.594 9.035 1.00001.00 O ATOM 1734 OD2 ASP 112 4.370 -1.010 10.874 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 1.322 10.701 12.375 1.00001.00 H ATOM 2482 HB2 TYR 159 0.051 9.511 12.748 1.00001.00 H ATOM 2483 CG TYR 159 1.872 9.227 13.794 1.00001.00 C ATOM 2484 CD1 TYR 159 3.232 9.359 13.446 1.00001.00 C ATOM 2485 HD1 TYR 159 3.546 10.136 12.750 1.00001.00 H ATOM 2486 CD2 TYR 159 1.462 8.217 14.683 1.00001.00 C ATOM 2487 HD2 TYR 159 0.408 8.118 14.943 1.00001.00 H ATOM 2488 CE1 TYR 159 4.183 8.482 14.000 1.00001.00 C ATOM 2489 HE1 TYR 159 5.239 8.584 13.748 1.00001.00 H ATOM 2490 CE2 TYR 159 2.406 7.338 15.237 1.00001.00 C ATOM 2491 HE2 TYR 159 2.095 6.558 15.931 1.00001.00 H ATOM 2492 CZ TYR 159 3.763 7.468 14.886 1.00001.00 C ATOM 2493 OH TYR 159 4.657 6.589 15.390 1.00001.00 O ATOM 2494 HH TYR 159 5.593 6.655 15.141 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.789 14.555 2.229 1.00001.00 H ATOM 2841 HB2 GLU 180 0.302 13.928 1.479 1.00001.00 H ATOM 2842 CG GLU 180 1.362 12.495 2.685 1.00001.00 C ATOM 2843 HG1 GLU 180 1.576 11.991 1.743 1.00001.00 H ATOM 2844 HG2 GLU 180 0.551 11.978 3.198 1.00001.00 H ATOM 2845 CD GLU 180 2.612 12.436 3.565 1.00001.00 C ATOM 2846 OE1 GLU 180 2.431 12.074 4.741 1.00001.00 O ATOM 2847 OE2 GLU 180 3.735 12.707 3.083 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.878 13.671 7.740 1.00001.00 H ATOM 2856 CG1 ILE 181 0.892 13.403 8.535 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.353 13.103 7.636 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.228 13.973 9.184 1.00001.00 H ATOM 2859 CG2 ILE 181 2.648 15.028 9.354 1.00001.00 C ATOM 2860 1HG2 ILE 181 3.543 15.579 9.067 1.00001.00 H ATOM 2861 2HG2 ILE 181 2.904 14.296 10.122 1.00001.00 H ATOM 2862 3HG2 ILE 181 1.903 15.720 9.746 1.00001.00 H ATOM 2863 CD1 ILE 181 1.343 12.141 9.281 1.00001.00 C ATOM 2864 HD1 ILE 181 1.722 12.415 10.264 1.00001.00 H ATOM 2865 HD2 ILE 181 2.133 11.646 8.714 1.00001.00 H ATOM 2866 HD3 ILE 181 0.498 11.463 9.392 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.423 19.669 1.597 1.00001.00 H ATOM 2889 HB2 HIS 183 1.881 18.147 2.347 1.00001.00 H ATOM 2890 CG HIS 183 3.745 18.027 1.338 1.00001.00 C ATOM 2891 CD2 HIS 183 3.981 16.679 1.369 1.00001.00 C ATOM 2892 HD2 HIS 183 3.518 15.862 1.920 1.00001.00 H ATOM 2893 ND1 HIS 183 4.622 18.574 0.426 1.00001.00 N ATOM 2894 CE1 HIS 183 5.381 17.580 -0.069 1.00001.00 C ATOM 2895 HE1 HIS 183 6.182 17.609 -0.807 1.00001.00 H ATOM 2896 NE2 HIS 183 5.029 16.420 0.488 1.00001.00 N ATOM 2897 HE2 HIS 183 5.371 15.487 0.379 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 13.052 11.236 11.534 1.00001.00 H ATOM 3161 HB2 TYR 200 12.337 12.406 12.670 1.00001.00 H ATOM 3162 CG TYR 200 12.087 12.896 10.613 1.00001.00 C ATOM 3163 CD1 TYR 200 12.551 12.592 9.318 1.00001.00 C ATOM 3164 HD1 TYR 200 13.016 11.627 9.116 1.00001.00 H ATOM 3165 CD2 TYR 200 11.500 14.144 10.876 1.00001.00 C ATOM 3166 HD2 TYR 200 11.130 14.372 11.876 1.00001.00 H ATOM 3167 CE1 TYR 200 12.414 13.537 8.282 1.00001.00 C ATOM 3168 HE1 TYR 200 12.756 13.299 7.275 1.00001.00 H ATOM 3169 CE2 TYR 200 11.389 15.098 9.853 1.00001.00 C ATOM 3170 HE2 TYR 200 10.957 16.076 10.066 1.00001.00 H ATOM 3171 CZ TYR 200 11.831 14.794 8.552 1.00001.00 C ATOM 3172 OH TYR 200 11.713 15.720 7.564 1.00001.00 O ATOM 3173 HH TYR 200 12.031 15.520 6.669 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.179 7.470 15.676 1.00001.00 H ATOM 3198 HB2 MET 202 6.886 8.975 15.039 1.00001.00 H ATOM 3199 CG MET 202 7.250 8.632 17.119 1.00001.00 C ATOM 3200 HG1 MET 202 6.551 9.449 17.292 1.00001.00 H ATOM 3201 HG2 MET 202 8.272 8.999 17.218 1.00001.00 H ATOM 3202 SD MET 202 6.972 7.362 18.380 1.00001.00 S ATOM 3203 CE MET 202 5.281 7.788 18.852 1.00001.00 C ATOM 3204 HE1 MET 202 4.886 7.022 19.521 1.00001.00 H ATOM 3205 HE2 MET 202 4.658 7.847 17.960 1.00001.00 H ATOM 3206 HE3 MET 202 5.277 8.752 19.361 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.289 3.657 11.295 1.00001.00 H ATOM 3252 HB2 PHE 206 5.757 3.686 12.993 1.00001.00 H ATOM 3253 CG PHE 206 4.603 2.433 11.721 1.00001.00 C ATOM 3254 CD1 PHE 206 4.357 2.102 10.375 1.00001.00 C ATOM 3255 HD1 PHE 206 5.119 2.291 9.619 1.00001.00 H ATOM 3256 CD2 PHE 206 3.617 2.180 12.694 1.00001.00 C ATOM 3257 HD2 PHE 206 3.810 2.426 13.738 1.00001.00 H ATOM 3258 CE1 PHE 206 3.130 1.526 10.006 1.00001.00 C ATOM 3259 HE1 PHE 206 2.948 1.262 8.965 1.00001.00 H ATOM 3260 CE2 PHE 206 2.385 1.613 12.321 1.00001.00 C ATOM 3261 HE2 PHE 206 1.621 1.421 13.074 1.00001.00 H ATOM 3262 CZ PHE 206 2.140 1.293 10.973 1.00001.00 C ATOM 3263 HZ PHE 206 1.182 0.864 10.680 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.752 1.646 7.353 1.00001.00 H ATOM 3272 HB2 LEU 207 10.083 2.684 8.760 1.00001.00 H ATOM 3273 CG LEU 207 8.299 3.191 7.681 1.00001.00 C ATOM 3274 HG LEU 207 7.542 3.382 8.441 1.00001.00 H ATOM 3275 CD1 LEU 207 9.038 4.493 7.357 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.558 4.847 8.246 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.320 5.246 7.032 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.760 4.313 6.561 1.00001.00 H ATOM 3279 CD2 LEU 207 7.590 2.714 6.415 1.00001.00 C ATOM 3280 1HD2 LEU 207 7.028 1.806 6.632 1.00001.00 H ATOM 3281 2HD2 LEU 207 8.328 2.509 5.640 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.905 3.490 6.068 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.090 0.495 -4.435 1.00001.00 H ATOM 3935 HB2 MET 250 8.169 -1.213 -3.940 1.00001.00 H ATOM 3936 CG MET 250 9.302 -0.744 -5.706 1.00001.00 C ATOM 3937 HG1 MET 250 9.893 -1.653 -5.593 1.00001.00 H ATOM 3938 HG2 MET 250 9.945 0.070 -6.039 1.00001.00 H ATOM 3939 SD MET 250 8.060 -1.041 -7.001 1.00001.00 S ATOM 3940 CE MET 250 7.172 -2.468 -6.322 1.00001.00 C ATOM 3941 HE1 MET 250 6.597 -2.158 -5.449 1.00001.00 H ATOM 3942 HE2 MET 250 7.890 -3.236 -6.030 1.00001.00 H ATOM 3943 HE3 MET 250 6.499 -2.870 -7.078 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.047 -1.673 1.097 1.00001.00 H ATOM 3952 HB2 PHE 251 6.683 -1.476 -0.030 1.00001.00 H ATOM 3953 CG PHE 251 6.403 -0.564 1.875 1.00001.00 C ATOM 3954 CD1 PHE 251 6.896 -0.560 3.196 1.00001.00 C ATOM 3955 HD1 PHE 251 7.913 -0.897 3.396 1.00001.00 H ATOM 3956 CD2 PHE 251 5.085 -0.148 1.619 1.00001.00 C ATOM 3957 HD2 PHE 251 4.698 -0.161 0.601 1.00001.00 H ATOM 3958 CE1 PHE 251 6.078 -0.124 4.251 1.00001.00 C ATOM 3959 HE1 PHE 251 6.457 -0.121 5.274 1.00001.00 H ATOM 3960 CE2 PHE 251 4.266 0.284 2.676 1.00001.00 C ATOM 3961 HE2 PHE 251 3.243 0.599 2.478 1.00001.00 H ATOM 3962 CZ PHE 251 4.768 0.309 3.988 1.00001.00 C ATOM 3963 HZ PHE 251 4.141 0.665 4.804 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.903 -0.063 3.215 1.00001.00 H ATOM 3972 HB2 TYR 252 12.176 -1.176 2.032 1.00001.00 H ATOM 3973 CG TYR 252 11.343 -1.286 3.983 1.00001.00 C ATOM 3974 CD1 TYR 252 11.597 -0.911 5.319 1.00001.00 C ATOM 3975 HD1 TYR 252 12.238 -0.057 5.538 1.00001.00 H ATOM 3976 CD2 TYR 252 10.491 -2.367 3.698 1.00001.00 C ATOM 3977 HD2 TYR 252 10.284 -2.639 2.663 1.00001.00 H ATOM 3978 CE1 TYR 252 11.018 -1.644 6.371 1.00001.00 C ATOM 3979 HE1 TYR 252 11.209 -1.363 7.407 1.00001.00 H ATOM 3980 CE2 TYR 252 9.908 -3.096 4.748 1.00001.00 C ATOM 3981 HE2 TYR 252 9.242 -3.931 4.532 1.00001.00 H ATOM 3982 CZ TYR 252 10.188 -2.744 6.082 1.00001.00 C ATOM 3983 OH TYR 252 9.660 -3.471 7.087 1.00001.00 O ATOM 3984 HH TYR 252 9.089 -4.229 6.889 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 8.043 4.224 -0.173 1.00001.00 H ATOM 4000 HB2 ALA 254 8.620 4.811 -1.752 1.00001.00 H ATOM 4001 HB3 ALA 254 7.879 5.945 -0.597 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 9.917 2.971 4.288 1.00001.00 H ATOM 4010 HB2 ALA 255 8.191 3.303 3.999 1.00001.00 H ATOM 4011 HB3 ALA 255 8.973 3.877 5.493 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.679 8.721 0.482 1.00001.00 H ATOM 4034 HB2 PHE 257 13.211 7.890 0.121 1.00001.00 H ATOM 4035 CG PHE 257 13.269 10.006 -0.121 1.00001.00 C ATOM 4036 CD1 PHE 257 12.466 11.161 -0.195 1.00001.00 C ATOM 4037 HD1 PHE 257 11.462 11.152 0.229 1.00001.00 H ATOM 4038 CD2 PHE 257 14.569 10.025 -0.658 1.00001.00 C ATOM 4039 HD2 PHE 257 15.195 9.135 -0.593 1.00001.00 H ATOM 4040 CE1 PHE 257 12.956 12.324 -0.816 1.00001.00 C ATOM 4041 HE1 PHE 257 12.330 13.213 -0.881 1.00001.00 H ATOM 4042 CE2 PHE 257 15.062 11.188 -1.274 1.00001.00 C ATOM 4043 HE2 PHE 257 16.069 11.200 -1.690 1.00001.00 H ATOM 4044 CZ PHE 257 14.255 12.335 -1.353 1.00001.00 C ATOM 4045 HZ PHE 257 14.635 13.238 -1.832 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.051 10.256 4.342 1.00001.00 H ATOM 4054 HB2 MET 258 8.635 8.615 3.971 1.00001.00 H ATOM 4055 CG MET 258 8.271 9.842 2.249 1.00001.00 C ATOM 4056 HG1 MET 258 7.357 9.264 2.106 1.00001.00 H ATOM 4057 HG2 MET 258 9.058 9.439 1.611 1.00001.00 H ATOM 4058 SD MET 258 7.938 11.547 1.711 1.00001.00 S ATOM 4059 CE MET 258 6.259 11.799 2.365 1.00001.00 C ATOM 4060 HE1 MET 258 5.777 12.614 1.826 1.00001.00 H ATOM 4061 HE2 MET 258 6.314 12.047 3.426 1.00001.00 H ATOM 4062 HE3 MET 258 5.677 10.885 2.236 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.278 7.613 9.151 1.00001.00 H ATOM 4071 HB2 TYR 259 9.953 7.131 7.468 1.00001.00 H ATOM 4072 CG TYR 259 8.484 8.399 8.333 1.00001.00 C ATOM 4073 CD1 TYR 259 8.109 9.225 9.411 1.00001.00 C ATOM 4074 HD1 TYR 259 8.852 9.538 10.145 1.00001.00 H ATOM 4075 CD2 TYR 259 7.525 7.989 7.389 1.00001.00 C ATOM 4076 HD2 TYR 259 7.823 7.370 6.543 1.00001.00 H ATOM 4077 CE1 TYR 259 6.771 9.647 9.540 1.00001.00 C ATOM 4078 HE1 TYR 259 6.479 10.312 10.354 1.00001.00 H ATOM 4079 CE2 TYR 259 6.183 8.377 7.536 1.00001.00 C ATOM 4080 HE2 TYR 259 5.434 8.037 6.823 1.00001.00 H ATOM 4081 CZ TYR 259 5.807 9.207 8.608 1.00001.00 C ATOM 4082 OH TYR 259 4.516 9.597 8.708 1.00001.00 O ATOM 4083 HH TYR 259 3.865 9.285 8.061 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 5.425 4.943 -3.878 1.00001.00 H ATOM 4377 HB2 TYR 278 6.594 3.649 -4.233 1.00001.00 H ATOM 4378 CG TYR 278 5.087 3.127 -2.838 1.00001.00 C ATOM 4379 CD1 TYR 278 4.197 3.723 -1.921 1.00001.00 C ATOM 4380 HD1 TYR 278 3.803 4.717 -2.127 1.00001.00 H ATOM 4381 CD2 TYR 278 5.623 1.858 -2.552 1.00001.00 C ATOM 4382 HD2 TYR 278 6.372 1.420 -3.214 1.00001.00 H ATOM 4383 CE1 TYR 278 3.818 3.044 -0.742 1.00001.00 C ATOM 4384 HE1 TYR 278 3.174 3.530 -0.009 1.00001.00 H ATOM 4385 CE2 TYR 278 5.194 1.155 -1.414 1.00001.00 C ATOM 4386 HE2 TYR 278 5.581 0.154 -1.229 1.00001.00 H ATOM 4387 CZ TYR 278 4.275 1.729 -0.516 1.00001.00 C ATOM 4388 OH TYR 278 3.821 0.967 0.515 1.00001.00 O ATOM 4389 HH TYR 278 3.158 1.325 1.126 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 2 Node: 0 # Binding energies BENERG: Met69: -0 Phe73: -0.528131 Gln100: -0.304065 Met101: -0.424006 Phe102: -0.0653057 Leu103: -0.0653525 Ala104: 0.656376 Leu105: -0.307733 Thr106: -0.161306 Met107: 0.421304 Gly108: 0.409482 Gly109: -0.566397 Glu111: 0.606188 Asp112: 0.344166 Tyr159: -0.0245528 Glu180: -0.495982 Ile181: -0.753801 His183: -0.0806472 Tyr200: -0 Phe206: -0.143366 Leu207: -0.541795 Phe251: 0.216302 Tyr252: -0.00733201 Met258: -0.187726 Tyr259: -1.86878 Tyr278: -0.0571834 Total ionic: -0 Total H-bond: -1.49111 Total pi stack: -0.0673595 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -8.11004 Total: -3.92964 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe73 Ala104 Met107 Gly108 C9 H21 H22 H23 - Phe206 Leu207 Tyr259 Ligand polar satisfaction: 63.4762 Proximity: 2.54161 Protein clashes: -3.00342 # van der Waals repulsion vdWRPL: Phe73: 0.119634 Met101: 0.0593404 Ala104: 1.52837 Leu105: 1.86106 Gly108: 0.129323 Glu180: 0.243302 Phe206: 0.144233 Leu207: 0.172283 Tyr259: 0.281729 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 2.193 6.083 5.934 1.00001.00 O HETATM 9001 O2 LIG 0 3.214 4.336 4.819 1.00001.00 O HETATM 9002 C3 LIG 0 -0.404 7.969 3.925 1.00001.00 C HETATM 9003 C4 LIG 0 0.533 7.583 5.081 1.00001.00 C HETATM 9004 C5 LIG 0 1.390 6.356 4.793 1.00001.00 C HETATM 9005 C6 LIG 0 -1.452 8.970 4.417 1.00001.00 C HETATM 9006 C7 LIG 0 0.352 8.558 2.733 1.00001.00 C HETATM 9007 C8 LIG 0 3.068 5.039 5.809 1.00001.00 C HETATM 9008 C9 LIG 0 3.843 4.870 7.081 1.00001.00 C HETATM 9009 H10 LIG 0 -0.919 7.059 3.591 1.00001.00 H HETATM 9010 H11 LIG 0 -0.056 7.407 5.990 1.00001.00 H HETATM 9011 H12 LIG 0 1.190 8.429 5.322 1.00001.00 H HETATM 9012 H13 LIG 0 0.761 5.483 4.589 1.00001.00 H HETATM 9013 H14 LIG 0 2.052 6.533 3.940 1.00001.00 H HETATM 9014 H15 LIG 0 -2.223 9.112 3.652 1.00001.00 H HETATM 9015 H16 LIG 0 -1.024 9.955 4.627 1.00001.00 H HETATM 9016 H17 LIG 0 -1.951 8.607 5.322 1.00001.00 H HETATM 9017 H18 LIG 0 0.806 9.526 2.967 1.00001.00 H HETATM 9018 H19 LIG 0 -0.329 8.710 1.889 1.00001.00 H HETATM 9019 H20 LIG 0 1.145 7.878 2.403 1.00001.00 H HETATM 9020 H21 LIG 0 3.280 4.243 7.777 1.00001.00 H HETATM 9021 H22 LIG 0 4.048 5.848 7.523 1.00001.00 H HETATM 9022 H23 LIG 0 4.796 4.380 6.862 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.362 1.731 -1.305 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.897 1.843 0.389 1.00001.00 H ATOM 1149 CG PHE 73 -3.493 3.324 -0.202 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.460 3.419 -1.152 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.561 2.915 -2.112 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.368 4.018 1.025 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.178 3.968 1.755 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.302 4.159 -0.865 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.503 4.224 -1.604 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.217 4.766 1.306 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.131 5.308 2.247 1.00001.00 H ATOM 1158 CZ PHE 73 -1.170 4.814 0.371 1.00001.00 C ATOM 1159 HZ PHE 73 -0.256 5.360 0.603 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1553 N GLN 100 -9.298 11.761 3.284 1.00001.00 N ATOM 1554 HN GLN 100 -9.606 12.677 3.029 1.00001.00 H ATOM 1555 CA GLN 100 -8.261 11.154 2.452 1.00001.00 C ATOM 1556 HA GLN 100 -8.648 10.235 2.014 1.00001.00 H ATOM 1557 CB GLN 100 -7.925 12.091 1.279 1.00001.00 C ATOM 1558 HB1 GLN 100 -7.453 12.992 1.670 1.00001.00 H ATOM 1559 HB2 GLN 100 -8.846 12.357 0.762 1.00001.00 H ATOM 1560 CG GLN 100 -6.968 11.415 0.284 1.00001.00 C ATOM 1561 HG1 GLN 100 -7.450 10.518 -0.106 1.00001.00 H ATOM 1562 HG2 GLN 100 -6.056 11.138 0.811 1.00001.00 H ATOM 1563 CD GLN 100 -6.600 12.316 -0.885 1.00001.00 C ATOM 1564 NE2 GLN 100 -6.770 11.868 -2.111 1.00001.00 N ATOM 1565 1HE2 GLN 100 -6.533 12.445 -2.892 1.00001.00 H ATOM 1566 2HE2 GLN 100 -7.135 10.949 -2.261 1.00001.00 H ATOM 1567 OE1 GLN 100 -6.136 13.432 -0.717 1.00001.00 O ATOM 1568 C GLN 100 -7.016 10.829 3.282 1.00001.00 C ATOM 1569 O GLN 100 -6.522 9.705 3.218 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.924 13.200 6.323 1.00001.00 H ATOM 1576 HB2 MET 101 -4.994 13.695 4.887 1.00001.00 H ATOM 1577 CG MET 101 -3.805 12.881 6.481 1.00001.00 C ATOM 1578 HG1 MET 101 -3.015 12.494 5.839 1.00001.00 H ATOM 1579 HG2 MET 101 -3.963 12.198 7.315 1.00001.00 H ATOM 1580 SD MET 101 -3.254 14.473 7.154 1.00001.00 S ATOM 1581 CE MET 101 -4.704 14.883 8.147 1.00001.00 C ATOM 1582 HE1 MET 101 -4.478 15.739 8.784 1.00001.00 H ATOM 1583 HE2 MET 101 -4.973 14.030 8.769 1.00001.00 H ATOM 1584 HE3 MET 101 -5.537 15.131 7.489 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.285 9.981 7.385 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.535 10.646 8.857 1.00001.00 H ATOM 1594 CG PHE 102 -9.199 8.631 9.029 1.00001.00 C ATOM 1595 CD1 PHE 102 -10.200 7.810 8.477 1.00001.00 C ATOM 1596 HD1 PHE 102 -10.597 8.029 7.486 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.690 8.349 10.309 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.917 8.984 10.742 1.00001.00 H ATOM 1599 CE1 PHE 102 -10.690 6.708 9.202 1.00001.00 C ATOM 1600 HE1 PHE 102 -11.465 6.072 8.773 1.00001.00 H ATOM 1601 CE2 PHE 102 -9.180 7.248 11.032 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.784 7.032 12.024 1.00001.00 H ATOM 1603 CZ PHE 102 -10.176 6.426 10.479 1.00001.00 C ATOM 1604 HZ PHE 102 -10.551 5.570 11.040 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.764 7.741 2.551 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.583 8.788 3.733 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.409 8.335 2.223 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.430 7.424 9.174 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.902 8.003 8.356 1.00001.00 H ATOM 1643 CG LEU 105 -2.120 9.085 7.857 1.00001.00 C ATOM 1644 HG LEU 105 -2.369 9.361 6.833 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.578 10.187 8.812 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.148 11.139 8.502 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.246 9.952 9.823 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.666 10.255 8.795 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.600 8.955 7.958 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.324 8.703 8.983 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.134 9.898 7.678 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.257 8.167 7.288 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1655 N THR 106 -4.520 5.096 7.778 1.00001.00 N ATOM 1656 HN THR 106 -5.148 5.784 7.416 1.00001.00 H ATOM 1657 CA THR 106 -5.100 3.841 8.274 1.00001.00 C ATOM 1658 HA THR 106 -4.781 3.683 9.304 1.00001.00 H ATOM 1659 CB THR 106 -6.633 3.891 8.312 1.00001.00 C ATOM 1660 HB THR 106 -7.006 4.047 7.300 1.00001.00 H ATOM 1661 CG1 THR 106 -7.241 2.603 8.867 1.00001.00 C ATOM 1662 1HG1 THR 106 -7.374 2.698 9.944 1.00001.00 H ATOM 1663 2HG1 THR 106 -6.573 1.768 8.656 1.00001.00 H ATOM 1664 3HG1 THR 106 -8.207 2.424 8.395 1.00001.00 H ATOM 1665 OG2 THR 106 -7.066 4.933 9.153 1.00001.00 O ATOM 1666 HG2 THR 106 -6.676 5.770 8.857 1.00001.00 H ATOM 1667 C THR 106 -4.647 2.657 7.425 1.00001.00 C ATOM 1668 O THR 106 -4.215 1.656 7.988 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.261 1.115 3.131 1.00001.00 H ATOM 1675 HB2 MET 107 -4.078 2.863 3.419 1.00001.00 H ATOM 1676 CG MET 107 -6.101 2.158 3.470 1.00001.00 C ATOM 1677 HG1 MET 107 -6.238 2.270 2.395 1.00001.00 H ATOM 1678 HG2 MET 107 -6.403 3.077 3.972 1.00001.00 H ATOM 1679 SD MET 107 -7.206 0.835 4.031 1.00001.00 S ATOM 1680 CE MET 107 -8.781 1.671 3.728 1.00001.00 C ATOM 1681 HE1 MET 107 -8.865 2.538 4.383 1.00001.00 H ATOM 1682 HE2 MET 107 -9.602 0.982 3.929 1.00001.00 H ATOM 1683 HE3 MET 107 -8.826 1.996 2.688 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.185 -1.064 4.923 1.00001.00 H ATOM 1716 HB2 GLU 111 -1.238 -1.884 4.238 1.00001.00 H ATOM 1717 CG GLU 111 0.645 -2.803 3.737 1.00001.00 C ATOM 1718 HG1 GLU 111 0.326 -3.846 3.724 1.00001.00 H ATOM 1719 HG2 GLU 111 1.668 -2.741 4.108 1.00001.00 H ATOM 1720 CD GLU 111 0.622 -2.275 2.292 1.00001.00 C ATOM 1721 OE1 GLU 111 -0.294 -2.710 1.549 1.00001.00 O ATOM 1722 OE2 GLU 111 1.529 -1.496 1.922 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.334 -0.751 9.513 1.00001.00 H ATOM 1731 HB2 ASP 112 3.262 -0.244 8.082 1.00001.00 H ATOM 1732 CG ASP 112 4.429 -1.198 9.608 1.00001.00 C ATOM 1733 OD1 ASP 112 5.452 -1.517 8.966 1.00001.00 O ATOM 1734 OD2 ASP 112 4.410 -1.055 10.849 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 1.260 10.697 12.338 1.00001.00 H ATOM 2482 HB2 TYR 159 0.062 9.465 12.803 1.00001.00 H ATOM 2483 CG TYR 159 1.938 9.292 13.771 1.00001.00 C ATOM 2484 CD1 TYR 159 3.287 9.677 13.625 1.00001.00 C ATOM 2485 HD1 TYR 159 3.538 10.600 13.104 1.00001.00 H ATOM 2486 CD2 TYR 159 1.611 8.094 14.433 1.00001.00 C ATOM 2487 HD2 TYR 159 0.566 7.800 14.537 1.00001.00 H ATOM 2488 CE1 TYR 159 4.307 8.865 14.152 1.00001.00 C ATOM 2489 HE1 TYR 159 5.352 9.160 14.056 1.00001.00 H ATOM 2490 CE2 TYR 159 2.625 7.278 14.958 1.00001.00 C ATOM 2491 HE2 TYR 159 2.377 6.353 15.477 1.00001.00 H ATOM 2492 CZ TYR 159 3.971 7.662 14.809 1.00001.00 C ATOM 2493 OH TYR 159 4.940 6.848 15.279 1.00001.00 O ATOM 2494 HH TYR 159 5.874 7.090 15.165 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.795 14.549 2.236 1.00001.00 H ATOM 2841 HB2 GLU 180 0.306 13.939 1.477 1.00001.00 H ATOM 2842 CG GLU 180 1.349 12.490 2.678 1.00001.00 C ATOM 2843 HG1 GLU 180 1.563 11.989 1.734 1.00001.00 H ATOM 2844 HG2 GLU 180 0.531 11.976 3.185 1.00001.00 H ATOM 2845 CD GLU 180 2.595 12.415 3.563 1.00001.00 C ATOM 2846 OE1 GLU 180 2.434 11.898 4.683 1.00001.00 O ATOM 2847 OE2 GLU 180 3.697 12.827 3.136 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.868 13.662 7.734 1.00001.00 H ATOM 2856 CG1 ILE 181 0.886 13.417 8.550 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.384 13.052 7.654 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.193 14.020 9.135 1.00001.00 H ATOM 2859 CG2 ILE 181 2.668 15.026 9.345 1.00001.00 C ATOM 2860 1HG2 ILE 181 3.604 15.507 9.065 1.00001.00 H ATOM 2861 2HG2 ILE 181 2.855 14.304 10.142 1.00001.00 H ATOM 2862 3HG2 ILE 181 1.962 15.780 9.698 1.00001.00 H ATOM 2863 CD1 ILE 181 1.323 12.212 9.394 1.00001.00 C ATOM 2864 HD1 ILE 181 1.658 12.555 10.371 1.00001.00 H ATOM 2865 HD2 ILE 181 2.141 11.694 8.892 1.00001.00 H ATOM 2866 HD3 ILE 181 0.482 11.530 9.515 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.964 19.548 1.408 1.00001.00 H ATOM 2889 HB2 HIS 183 1.661 18.683 2.258 1.00001.00 H ATOM 2890 CG HIS 183 3.319 17.476 1.708 1.00001.00 C ATOM 2891 CD2 HIS 183 2.776 16.232 1.889 1.00001.00 C ATOM 2892 HD2 HIS 183 1.843 15.892 2.336 1.00001.00 H ATOM 2893 ND1 HIS 183 4.518 17.307 1.051 1.00001.00 N ATOM 2894 CE1 HIS 183 4.703 15.989 0.856 1.00001.00 C ATOM 2895 HE1 HIS 183 5.526 15.458 0.376 1.00001.00 H ATOM 2896 NE2 HIS 183 3.674 15.307 1.361 1.00001.00 N ATOM 2897 HE2 HIS 183 3.472 14.328 1.414 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.796 11.749 12.626 1.00001.00 H ATOM 3161 HB2 TYR 200 11.878 12.918 11.646 1.00001.00 H ATOM 3162 CG TYR 200 13.039 11.531 10.522 1.00001.00 C ATOM 3163 CD1 TYR 200 14.118 10.632 10.638 1.00001.00 C ATOM 3164 HD1 TYR 200 14.368 10.200 11.607 1.00001.00 H ATOM 3165 CD2 TYR 200 12.725 12.097 9.276 1.00001.00 C ATOM 3166 HD2 TYR 200 11.882 12.782 9.187 1.00001.00 H ATOM 3167 CE1 TYR 200 14.875 10.292 9.499 1.00001.00 C ATOM 3168 HE1 TYR 200 15.700 9.584 9.581 1.00001.00 H ATOM 3169 CE2 TYR 200 13.496 11.782 8.147 1.00001.00 C ATOM 3170 HE2 TYR 200 13.266 12.244 7.186 1.00001.00 H ATOM 3171 CZ TYR 200 14.562 10.870 8.250 1.00001.00 C ATOM 3172 OH TYR 200 15.299 10.564 7.150 1.00001.00 O ATOM 3173 HH TYR 200 16.045 9.947 7.220 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.397 7.434 16.228 1.00001.00 H ATOM 3198 HB2 MET 202 6.521 8.548 14.845 1.00001.00 H ATOM 3199 CG MET 202 7.447 9.252 16.641 1.00001.00 C ATOM 3200 HG1 MET 202 6.581 9.896 16.786 1.00001.00 H ATOM 3201 HG2 MET 202 8.254 9.824 16.182 1.00001.00 H ATOM 3202 SD MET 202 8.007 8.668 18.261 1.00001.00 S ATOM 3203 CE MET 202 8.688 10.212 18.905 1.00001.00 C ATOM 3204 HE1 MET 202 8.868 10.111 19.976 1.00001.00 H ATOM 3205 HE2 MET 202 7.981 11.023 18.731 1.00001.00 H ATOM 3206 HE3 MET 202 9.627 10.436 18.399 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.286 3.653 11.291 1.00001.00 H ATOM 3252 HB2 PHE 206 5.761 3.690 12.991 1.00001.00 H ATOM 3253 CG PHE 206 4.601 2.433 11.728 1.00001.00 C ATOM 3254 CD1 PHE 206 4.245 2.329 10.370 1.00001.00 C ATOM 3255 HD1 PHE 206 4.924 2.694 9.600 1.00001.00 H ATOM 3256 CD2 PHE 206 3.722 1.954 12.719 1.00001.00 C ATOM 3257 HD2 PHE 206 4.001 2.024 13.771 1.00001.00 H ATOM 3258 CE1 PHE 206 3.017 1.753 10.008 1.00001.00 C ATOM 3259 HE1 PHE 206 2.750 1.665 8.955 1.00001.00 H ATOM 3260 CE2 PHE 206 2.488 1.385 12.355 1.00001.00 C ATOM 3261 HE2 PHE 206 1.807 1.018 13.122 1.00001.00 H ATOM 3262 CZ PHE 206 2.133 1.292 10.997 1.00001.00 C ATOM 3263 HZ PHE 206 1.172 0.863 10.712 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.784 1.644 7.371 1.00001.00 H ATOM 3272 HB2 LEU 207 10.057 2.708 8.771 1.00001.00 H ATOM 3273 CG LEU 207 8.291 3.162 7.642 1.00001.00 C ATOM 3274 HG LEU 207 7.676 3.553 8.452 1.00001.00 H ATOM 3275 CD1 LEU 207 9.044 4.314 6.969 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.613 4.862 7.719 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.329 4.985 6.493 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.724 3.913 6.218 1.00001.00 H ATOM 3279 CD2 LEU 207 7.363 2.526 6.608 1.00001.00 C ATOM 3280 1HD2 LEU 207 6.791 1.726 7.075 1.00001.00 H ATOM 3281 2HD2 LEU 207 7.956 2.120 5.788 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.679 3.284 6.220 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.120 0.511 -4.473 1.00001.00 H ATOM 3935 HB2 MET 250 8.138 -1.180 -3.918 1.00001.00 H ATOM 3936 CG MET 250 9.304 -0.811 -5.685 1.00001.00 C ATOM 3937 HG1 MET 250 9.896 -1.712 -5.528 1.00001.00 H ATOM 3938 HG2 MET 250 9.946 -0.012 -6.057 1.00001.00 H ATOM 3939 SD MET 250 8.063 -1.172 -6.966 1.00001.00 S ATOM 3940 CE MET 250 7.152 -2.541 -6.202 1.00001.00 C ATOM 3941 HE1 MET 250 7.857 -3.236 -5.745 1.00001.00 H ATOM 3942 HE2 MET 250 6.572 -3.060 -6.965 1.00001.00 H ATOM 3943 HE3 MET 250 6.481 -2.149 -5.439 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.037 -1.740 0.964 1.00001.00 H ATOM 3952 HB2 PHE 251 6.573 -1.385 0.014 1.00001.00 H ATOM 3953 CG PHE 251 6.564 -0.595 1.993 1.00001.00 C ATOM 3954 CD1 PHE 251 7.182 -0.755 3.250 1.00001.00 C ATOM 3955 HD1 PHE 251 8.177 -1.195 3.314 1.00001.00 H ATOM 3956 CD2 PHE 251 5.272 -0.045 1.913 1.00001.00 C ATOM 3957 HD2 PHE 251 4.789 0.068 0.944 1.00001.00 H ATOM 3958 CE1 PHE 251 6.517 -0.347 4.418 1.00001.00 C ATOM 3959 HE1 PHE 251 6.992 -0.470 5.392 1.00001.00 H ATOM 3960 CE2 PHE 251 4.606 0.358 3.082 1.00001.00 C ATOM 3961 HE2 PHE 251 3.603 0.777 3.021 1.00001.00 H ATOM 3962 CZ PHE 251 5.234 0.219 4.331 1.00001.00 C ATOM 3963 HZ PHE 251 4.727 0.553 5.236 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.976 -0.340 2.473 1.00001.00 H ATOM 3972 HB2 TYR 252 11.581 -1.444 2.487 1.00001.00 H ATOM 3973 CG TYR 252 12.034 -0.563 4.366 1.00001.00 C ATOM 3974 CD1 TYR 252 12.984 0.221 5.054 1.00001.00 C ATOM 3975 HD1 TYR 252 13.663 0.871 4.503 1.00001.00 H ATOM 3976 CD2 TYR 252 11.136 -1.378 5.077 1.00001.00 C ATOM 3977 HD2 TYR 252 10.392 -1.966 4.539 1.00001.00 H ATOM 3978 CE1 TYR 252 13.051 0.162 6.458 1.00001.00 C ATOM 3979 HE1 TYR 252 13.781 0.763 6.999 1.00001.00 H ATOM 3980 CE2 TYR 252 11.198 -1.433 6.479 1.00001.00 C ATOM 3981 HE2 TYR 252 10.500 -2.059 7.035 1.00001.00 H ATOM 3982 CZ TYR 252 12.168 -0.677 7.165 1.00001.00 C ATOM 3983 OH TYR 252 12.252 -0.765 8.508 1.00001.00 O ATOM 3984 HH TYR 252 11.645 -1.343 8.995 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 8.045 4.221 -0.176 1.00001.00 H ATOM 4000 HB2 ALA 254 8.619 4.815 -1.753 1.00001.00 H ATOM 4001 HB3 ALA 254 7.878 5.944 -0.593 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 10.022 3.198 4.771 1.00001.00 H ATOM 4010 HB2 ALA 255 8.587 3.046 3.727 1.00001.00 H ATOM 4011 HB3 ALA 255 8.472 3.907 5.282 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.678 8.779 0.482 1.00001.00 H ATOM 4034 HB2 PHE 257 13.162 7.861 0.132 1.00001.00 H ATOM 4035 CG PHE 257 13.335 9.967 -0.137 1.00001.00 C ATOM 4036 CD1 PHE 257 12.663 11.205 -0.105 1.00001.00 C ATOM 4037 HD1 PHE 257 11.709 11.290 0.414 1.00001.00 H ATOM 4038 CD2 PHE 257 14.574 9.863 -0.796 1.00001.00 C ATOM 4039 HD2 PHE 257 15.099 8.908 -0.814 1.00001.00 H ATOM 4040 CE1 PHE 257 13.220 12.328 -0.742 1.00001.00 C ATOM 4041 HE1 PHE 257 12.695 13.282 -0.725 1.00001.00 H ATOM 4042 CE2 PHE 257 15.134 10.985 -1.429 1.00001.00 C ATOM 4043 HE2 PHE 257 16.093 10.902 -1.941 1.00001.00 H ATOM 4044 CZ PHE 257 14.456 12.216 -1.403 1.00001.00 C ATOM 4045 HZ PHE 257 14.889 13.088 -1.894 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.044 10.310 4.279 1.00001.00 H ATOM 4054 HB2 MET 258 8.615 8.640 4.049 1.00001.00 H ATOM 4055 CG MET 258 8.308 9.735 2.230 1.00001.00 C ATOM 4056 HG1 MET 258 7.327 9.268 2.131 1.00001.00 H ATOM 4057 HG2 MET 258 9.040 9.166 1.656 1.00001.00 H ATOM 4058 SD MET 258 8.204 11.399 1.503 1.00001.00 S ATOM 4059 CE MET 258 6.591 11.956 2.132 1.00001.00 C ATOM 4060 HE1 MET 258 6.654 12.110 3.209 1.00001.00 H ATOM 4061 HE2 MET 258 5.835 11.200 1.917 1.00001.00 H ATOM 4062 HE3 MET 258 6.315 12.894 1.647 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.040 7.869 9.259 1.00001.00 H ATOM 4071 HB2 TYR 259 10.208 7.017 7.706 1.00001.00 H ATOM 4072 CG TYR 259 8.462 8.214 7.882 1.00001.00 C ATOM 4073 CD1 TYR 259 7.675 8.952 8.788 1.00001.00 C ATOM 4074 HD1 TYR 259 8.113 9.329 9.712 1.00001.00 H ATOM 4075 CD2 TYR 259 7.896 7.719 6.692 1.00001.00 C ATOM 4076 HD2 TYR 259 8.514 7.170 5.982 1.00001.00 H ATOM 4077 CE1 TYR 259 6.318 9.201 8.499 1.00001.00 C ATOM 4078 HE1 TYR 259 5.711 9.798 9.180 1.00001.00 H ATOM 4079 CE2 TYR 259 6.535 7.934 6.419 1.00001.00 C ATOM 4080 HE2 TYR 259 6.088 7.528 5.513 1.00001.00 H ATOM 4081 CZ TYR 259 5.748 8.676 7.319 1.00001.00 C ATOM 4082 OH TYR 259 4.450 8.901 7.016 1.00001.00 O ATOM 4083 HH TYR 259 4.071 8.533 6.203 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 6.554 3.490 -4.173 1.00001.00 H ATOM 4377 HB2 TYR 278 5.021 3.348 -3.281 1.00001.00 H ATOM 4378 CG TYR 278 5.646 5.336 -3.664 1.00001.00 C ATOM 4379 CD1 TYR 278 6.872 6.024 -3.759 1.00001.00 C ATOM 4380 HD1 TYR 278 7.742 5.513 -4.171 1.00001.00 H ATOM 4381 CD2 TYR 278 4.534 5.986 -3.098 1.00001.00 C ATOM 4382 HD2 TYR 278 3.601 5.441 -2.947 1.00001.00 H ATOM 4383 CE1 TYR 278 6.982 7.363 -3.324 1.00001.00 C ATOM 4384 HE1 TYR 278 7.945 7.874 -3.348 1.00001.00 H ATOM 4385 CE2 TYR 278 4.625 7.338 -2.728 1.00001.00 C ATOM 4386 HE2 TYR 278 3.743 7.843 -2.336 1.00001.00 H ATOM 4387 CZ TYR 278 5.836 8.041 -2.859 1.00001.00 C ATOM 4388 OH TYR 278 5.841 9.372 -2.578 1.00001.00 O ATOM 4389 HH TYR 278 6.654 9.889 -2.696 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 3 Node: 0 # Binding energies BENERG: Met69: -0.0084446 Phe73: -0.289639 Met101: -0.00643009 Phe102: -0.0028626 Leu105: -0.30195 Thr106: 0.22405 Met107: 0.326356 Gly108: 1.0743 Gly109: -0.842056 Ala110: -0.0265462 Glu111: -0.0245676 Asp112: -0.7346 Leu113: -0.0694871 Leu114: -0 Leu115: -0.0643707 Tyr159: -0.045417 Tyr200: -0.014855 Met202: -0.0501072 Phe206: -0.265341 Leu207: 0.381739 Leu211: -0.027021 Met250: -0 Phe251: -0.3041 Tyr252: -0.0662928 Ala255: -0.57919 Phe257: -0 Met258: -0.0967169 Tyr259: -0.0775397 Tyr278: 0.243988 Total ionic: -0 Total H-bond: -0.144932 Total pi stack: -0.00502964 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -6.55563 Total: -1.6471 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 95.0909 Proximity: 3.56202 Protein clashes: 21.5822 # van der Waals repulsion vdWRPL: Phe73: 0.492417 Gly108: 1.3732 Gly109: 0.0209352 Asp112: 0.227668 Phe206: 0.702459 Leu207: 3.03869 Phe251: 0.169486 Ala255: 0.0145924 Tyr259: 0.186582 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 2.286 3.750 5.182 1.00001.00 O HETATM 9001 O2 LIG 0 2.787 5.122 3.392 1.00001.00 O HETATM 9002 C3 LIG 0 4.948 3.582 7.869 1.00001.00 C HETATM 9003 C4 LIG 0 3.628 3.336 7.121 1.00001.00 C HETATM 9004 C5 LIG 0 3.541 4.051 5.778 1.00001.00 C HETATM 9005 C6 LIG 0 4.740 4.639 8.957 1.00001.00 C HETATM 9006 C7 LIG 0 5.511 2.304 8.492 1.00001.00 C HETATM 9007 C8 LIG 0 2.036 4.357 3.982 1.00001.00 C HETATM 9008 C9 LIG 0 0.686 3.950 3.476 1.00001.00 C HETATM 9009 H10 LIG 0 5.678 3.964 7.145 1.00001.00 H HETATM 9010 H11 LIG 0 2.783 3.646 7.751 1.00001.00 H HETATM 9011 H12 LIG 0 3.488 2.259 6.962 1.00001.00 H HETATM 9012 H13 LIG 0 3.616 5.135 5.910 1.00001.00 H HETATM 9013 H14 LIG 0 4.333 3.711 5.103 1.00001.00 H HETATM 9014 H15 LIG 0 5.707 4.945 9.371 1.00001.00 H HETATM 9015 H16 LIG 0 4.137 4.268 9.792 1.00001.00 H HETATM 9016 H17 LIG 0 4.259 5.535 8.550 1.00001.00 H HETATM 9017 H18 LIG 0 4.880 1.923 9.301 1.00001.00 H HETATM 9018 H19 LIG 0 6.505 2.493 8.913 1.00001.00 H HETATM 9019 H20 LIG 0 5.614 1.517 7.738 1.00001.00 H HETATM 9020 H21 LIG 0 -0.073 4.157 4.236 1.00001.00 H HETATM 9021 H22 LIG 0 0.692 2.888 3.217 1.00001.00 H HETATM 9022 H23 LIG 0 0.446 4.526 2.578 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.379 1.709 -1.291 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.889 1.868 0.407 1.00001.00 H ATOM 1149 CG PHE 73 -3.481 3.321 -0.241 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.296 2.736 0.241 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.225 1.652 0.326 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.546 4.727 -0.387 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.455 5.184 -0.782 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.209 3.543 0.611 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.295 3.083 0.988 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.457 5.531 -0.027 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.508 6.612 -0.153 1.00001.00 H ATOM 1158 CZ PHE 73 -1.297 4.941 0.499 1.00001.00 C ATOM 1159 HZ PHE 73 -0.463 5.566 0.818 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.946 13.225 6.284 1.00001.00 H ATOM 1576 HB2 MET 101 -4.945 13.684 4.885 1.00001.00 H ATOM 1577 CG MET 101 -3.843 12.863 6.536 1.00001.00 C ATOM 1578 HG1 MET 101 -3.033 12.455 5.931 1.00001.00 H ATOM 1579 HG2 MET 101 -4.049 12.189 7.367 1.00001.00 H ATOM 1580 SD MET 101 -3.290 14.449 7.221 1.00001.00 S ATOM 1581 CE MET 101 -4.829 14.979 7.999 1.00001.00 C ATOM 1582 HE1 MET 101 -4.638 15.847 8.630 1.00001.00 H ATOM 1583 HE2 MET 101 -5.227 14.169 8.608 1.00001.00 H ATOM 1584 HE3 MET 101 -5.553 15.245 7.228 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.292 9.952 7.384 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.541 10.663 8.834 1.00001.00 H ATOM 1594 CG PHE 102 -9.182 8.646 9.062 1.00001.00 C ATOM 1595 CD1 PHE 102 -10.170 7.794 8.533 1.00001.00 C ATOM 1596 HD1 PHE 102 -10.570 7.978 7.536 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.670 8.410 10.349 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.907 9.069 10.764 1.00001.00 H ATOM 1599 CE1 PHE 102 -10.644 6.707 9.290 1.00001.00 C ATOM 1600 HE1 PHE 102 -11.409 6.047 8.879 1.00001.00 H ATOM 1601 CE2 PHE 102 -9.144 7.323 11.104 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.746 7.142 12.102 1.00001.00 H ATOM 1603 CZ PHE 102 -10.127 6.470 10.575 1.00001.00 C ATOM 1604 HZ PHE 102 -10.489 5.625 11.160 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.774 7.736 2.534 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.565 8.781 3.737 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.419 8.347 2.236 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.451 7.416 9.180 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.900 8.019 8.339 1.00001.00 H ATOM 1643 CG LEU 105 -2.095 9.075 7.871 1.00001.00 C ATOM 1644 HG LEU 105 -2.302 9.342 6.836 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.579 10.191 8.797 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.195 11.148 8.445 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.217 10.005 9.809 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.668 10.214 8.800 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.581 8.933 8.031 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.316 9.037 9.084 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.079 9.706 7.452 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.268 7.951 7.676 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.249 1.121 3.130 1.00001.00 H ATOM 1675 HB2 MET 107 -4.088 2.870 3.423 1.00001.00 H ATOM 1676 CG MET 107 -6.103 2.141 3.467 1.00001.00 C ATOM 1677 HG1 MET 107 -6.242 2.227 2.390 1.00001.00 H ATOM 1678 HG2 MET 107 -6.411 3.069 3.949 1.00001.00 H ATOM 1679 SD MET 107 -7.197 0.824 4.059 1.00001.00 S ATOM 1680 CE MET 107 -8.026 0.457 2.494 1.00001.00 C ATOM 1681 HE1 MET 107 -8.532 1.351 2.131 1.00001.00 H ATOM 1682 HE2 MET 107 -8.757 -0.337 2.648 1.00001.00 H ATOM 1683 HE3 MET 107 -7.289 0.133 1.759 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.208 -1.074 4.920 1.00001.00 H ATOM 1716 HB2 GLU 111 -1.240 -1.862 4.250 1.00001.00 H ATOM 1717 CG GLU 111 0.617 -2.819 3.724 1.00001.00 C ATOM 1718 HG1 GLU 111 0.216 -3.830 3.639 1.00001.00 H ATOM 1719 HG2 GLU 111 1.627 -2.861 4.131 1.00001.00 H ATOM 1720 CD GLU 111 0.690 -2.210 2.312 1.00001.00 C ATOM 1721 OE1 GLU 111 1.679 -1.474 2.067 1.00001.00 O ATOM 1722 OE2 GLU 111 -0.248 -2.432 1.513 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.321 -0.735 9.491 1.00001.00 H ATOM 1731 HB2 ASP 112 3.291 -0.251 8.080 1.00001.00 H ATOM 1732 CG ASP 112 4.407 -1.210 9.641 1.00001.00 C ATOM 1733 OD1 ASP 112 5.429 -1.594 9.035 1.00001.00 O ATOM 1734 OD2 ASP 112 4.370 -1.010 10.874 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 0.198 10.045 12.294 1.00001.00 H ATOM 2482 HB2 TYR 159 0.901 9.171 13.676 1.00001.00 H ATOM 2483 CG TYR 159 2.224 10.509 12.703 1.00001.00 C ATOM 2484 CD1 TYR 159 2.453 11.760 12.093 1.00001.00 C ATOM 2485 HD1 TYR 159 1.636 12.472 11.985 1.00001.00 H ATOM 2486 CD2 TYR 159 3.274 9.582 12.834 1.00001.00 C ATOM 2487 HD2 TYR 159 3.088 8.614 13.302 1.00001.00 H ATOM 2488 CE1 TYR 159 3.739 12.083 11.624 1.00001.00 C ATOM 2489 HE1 TYR 159 3.930 13.053 11.163 1.00001.00 H ATOM 2490 CE2 TYR 159 4.558 9.898 12.365 1.00001.00 C ATOM 2491 HE2 TYR 159 5.376 9.186 12.470 1.00001.00 H ATOM 2492 CZ TYR 159 4.785 11.146 11.754 1.00001.00 C ATOM 2493 OH TYR 159 6.013 11.422 11.266 1.00001.00 O ATOM 2494 HH TYR 159 6.179 12.271 10.823 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.792 14.552 2.232 1.00001.00 H ATOM 2841 HB2 GLU 180 0.304 13.933 1.478 1.00001.00 H ATOM 2842 CG GLU 180 1.356 12.493 2.682 1.00001.00 C ATOM 2843 HG1 GLU 180 1.592 11.997 1.740 1.00001.00 H ATOM 2844 HG2 GLU 180 0.534 11.970 3.172 1.00001.00 H ATOM 2845 CD GLU 180 2.586 12.426 3.589 1.00001.00 C ATOM 2846 OE1 GLU 180 2.412 11.896 4.701 1.00001.00 O ATOM 2847 OE2 GLU 180 3.690 12.857 3.187 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.862 13.656 7.731 1.00001.00 H ATOM 2856 CG1 ILE 181 0.884 13.424 8.558 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.401 13.026 7.666 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.176 14.043 9.109 1.00001.00 H ATOM 2859 CG2 ILE 181 2.679 15.025 9.341 1.00001.00 C ATOM 2860 1HG2 ILE 181 2.210 16.002 9.452 1.00001.00 H ATOM 2861 2HG2 ILE 181 3.752 15.153 9.194 1.00001.00 H ATOM 2862 3HG2 ILE 181 2.504 14.433 10.240 1.00001.00 H ATOM 2863 CD1 ILE 181 1.311 12.253 9.451 1.00001.00 C ATOM 2864 HD1 ILE 181 1.479 12.611 10.466 1.00001.00 H ATOM 2865 HD2 ILE 181 2.233 11.817 9.064 1.00001.00 H ATOM 2866 HD3 ILE 181 0.527 11.496 9.457 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.345 19.659 1.633 1.00001.00 H ATOM 2889 HB2 HIS 183 1.936 18.080 2.347 1.00001.00 H ATOM 2890 CG HIS 183 3.776 18.129 1.290 1.00001.00 C ATOM 2891 CD2 HIS 183 3.959 16.785 1.104 1.00001.00 C ATOM 2892 HD2 HIS 183 3.426 15.910 1.474 1.00001.00 H ATOM 2893 ND1 HIS 183 4.740 18.778 0.549 1.00001.00 N ATOM 2894 CE1 HIS 183 5.497 17.846 -0.057 1.00001.00 C ATOM 2895 HE1 HIS 183 6.353 17.960 -0.722 1.00001.00 H ATOM 2896 NE2 HIS 183 5.061 16.627 0.267 1.00001.00 N ATOM 2897 HE2 HIS 183 5.376 15.710 0.023 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.442 12.264 12.716 1.00001.00 H ATOM 3161 HB2 TYR 200 11.970 12.707 11.057 1.00001.00 H ATOM 3162 CG TYR 200 13.389 11.125 11.186 1.00001.00 C ATOM 3163 CD1 TYR 200 14.339 10.562 12.062 1.00001.00 C ATOM 3164 HD1 TYR 200 14.232 10.690 13.139 1.00001.00 H ATOM 3165 CD2 TYR 200 13.533 10.971 9.798 1.00001.00 C ATOM 3166 HD2 TYR 200 12.790 11.396 9.123 1.00001.00 H ATOM 3167 CE1 TYR 200 15.428 9.834 11.544 1.00001.00 C ATOM 3168 HE1 TYR 200 16.156 9.383 12.219 1.00001.00 H ATOM 3169 CE2 TYR 200 14.633 10.271 9.279 1.00001.00 C ATOM 3170 HE2 TYR 200 14.757 10.176 8.200 1.00001.00 H ATOM 3171 CZ TYR 200 15.575 9.689 10.148 1.00001.00 C ATOM 3172 OH TYR 200 16.633 9.006 9.638 1.00001.00 O ATOM 3173 HH TYR 200 17.293 8.616 10.233 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.164 7.497 15.603 1.00001.00 H ATOM 3198 HB2 MET 202 6.934 9.017 15.086 1.00001.00 H ATOM 3199 CG MET 202 7.205 8.540 17.154 1.00001.00 C ATOM 3200 HG1 MET 202 6.412 9.246 17.394 1.00001.00 H ATOM 3201 HG2 MET 202 8.174 9.025 17.277 1.00001.00 H ATOM 3202 SD MET 202 7.108 7.151 18.312 1.00001.00 S ATOM 3203 CE MET 202 7.730 7.969 19.798 1.00001.00 C ATOM 3204 HE1 MET 202 7.949 7.221 20.560 1.00001.00 H ATOM 3205 HE2 MET 202 6.977 8.661 20.175 1.00001.00 H ATOM 3206 HE3 MET 202 8.639 8.519 19.557 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 5.455 2.740 11.191 1.00001.00 H ATOM 3252 HB2 PHE 206 6.405 4.019 11.985 1.00001.00 H ATOM 3253 CG PHE 206 4.848 3.197 13.176 1.00001.00 C ATOM 3254 CD1 PHE 206 3.709 2.370 13.145 1.00001.00 C ATOM 3255 HD1 PHE 206 3.601 1.622 12.360 1.00001.00 H ATOM 3256 CD2 PHE 206 4.984 4.158 14.197 1.00001.00 C ATOM 3257 HD2 PHE 206 5.871 4.792 14.229 1.00001.00 H ATOM 3258 CE1 PHE 206 2.713 2.507 14.126 1.00001.00 C ATOM 3259 HE1 PHE 206 1.838 1.858 14.103 1.00001.00 H ATOM 3260 CE2 PHE 206 3.981 4.301 15.173 1.00001.00 C ATOM 3261 HE2 PHE 206 4.086 5.047 15.960 1.00001.00 H ATOM 3262 CZ PHE 206 2.841 3.478 15.131 1.00001.00 C ATOM 3263 HZ PHE 206 2.056 3.595 15.879 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.801 1.644 7.382 1.00001.00 H ATOM 3272 HB2 LEU 207 10.043 2.722 8.777 1.00001.00 H ATOM 3273 CG LEU 207 8.287 3.145 7.620 1.00001.00 C ATOM 3274 HG LEU 207 7.698 3.582 8.427 1.00001.00 H ATOM 3275 CD1 LEU 207 9.034 4.254 6.873 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.629 4.832 7.580 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.314 4.910 6.384 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.689 3.810 6.124 1.00001.00 H ATOM 3279 CD2 LEU 207 7.325 2.472 6.643 1.00001.00 C ATOM 3280 1HD2 LEU 207 6.771 1.689 7.158 1.00001.00 H ATOM 3281 2HD2 LEU 207 7.890 2.036 5.819 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.627 3.214 6.251 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.077 0.487 -4.418 1.00001.00 H ATOM 3935 HB2 MET 250 8.183 -1.227 -3.951 1.00001.00 H ATOM 3936 CG MET 250 9.300 -0.714 -5.714 1.00001.00 C ATOM 3937 HG1 MET 250 9.896 -1.622 -5.621 1.00001.00 H ATOM 3938 HG2 MET 250 9.938 0.110 -6.033 1.00001.00 H ATOM 3939 SD MET 250 8.056 -0.993 -7.012 1.00001.00 S ATOM 3940 CE MET 250 7.084 -2.341 -6.289 1.00001.00 C ATOM 3941 HE1 MET 250 7.748 -3.160 -6.013 1.00001.00 H ATOM 3942 HE2 MET 250 6.356 -2.695 -7.020 1.00001.00 H ATOM 3943 HE3 MET 250 6.564 -1.979 -5.404 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.031 -1.755 0.930 1.00001.00 H ATOM 3952 HB2 PHE 251 6.547 -1.362 0.028 1.00001.00 H ATOM 3953 CG PHE 251 6.606 -0.606 2.019 1.00001.00 C ATOM 3954 CD1 PHE 251 7.272 -0.757 3.253 1.00001.00 C ATOM 3955 HD1 PHE 251 8.275 -1.183 3.279 1.00001.00 H ATOM 3956 CD2 PHE 251 5.305 -0.074 1.988 1.00001.00 C ATOM 3957 HD2 PHE 251 4.784 0.033 1.037 1.00001.00 H ATOM 3958 CE1 PHE 251 6.645 -0.359 4.445 1.00001.00 C ATOM 3959 HE1 PHE 251 7.158 -0.476 5.400 1.00001.00 H ATOM 3960 CE2 PHE 251 4.677 0.319 3.181 1.00001.00 C ATOM 3961 HE2 PHE 251 3.666 0.724 3.157 1.00001.00 H ATOM 3962 CZ PHE 251 5.352 0.189 4.406 1.00001.00 C ATOM 3963 HZ PHE 251 4.874 0.515 5.329 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.918 -0.067 3.180 1.00001.00 H ATOM 3972 HB2 TYR 252 12.145 -1.196 2.042 1.00001.00 H ATOM 3973 CG TYR 252 11.365 -1.253 4.017 1.00001.00 C ATOM 3974 CD1 TYR 252 11.544 -0.770 5.330 1.00001.00 C ATOM 3975 HD1 TYR 252 12.112 0.143 5.507 1.00001.00 H ATOM 3976 CD2 TYR 252 10.606 -2.413 3.784 1.00001.00 C ATOM 3977 HD2 TYR 252 10.455 -2.770 2.765 1.00001.00 H ATOM 3978 CE1 TYR 252 10.985 -1.472 6.414 1.00001.00 C ATOM 3979 HE1 TYR 252 11.119 -1.108 7.432 1.00001.00 H ATOM 3980 CE2 TYR 252 10.042 -3.112 4.865 1.00001.00 C ATOM 3981 HE2 TYR 252 9.448 -4.008 4.689 1.00001.00 H ATOM 3982 CZ TYR 252 10.249 -2.649 6.178 1.00001.00 C ATOM 3983 OH TYR 252 9.742 -3.345 7.216 1.00001.00 O ATOM 3984 HH TYR 252 9.236 -4.156 7.055 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 7.922 4.454 -0.005 1.00001.00 H ATOM 4000 HB2 ALA 254 8.628 4.524 -1.638 1.00001.00 H ATOM 4001 HB3 ALA 254 7.992 6.003 -0.879 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 10.022 3.198 4.771 1.00001.00 H ATOM 4010 HB2 ALA 255 8.587 3.046 3.727 1.00001.00 H ATOM 4011 HB3 ALA 255 8.472 3.907 5.282 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.693 8.587 0.478 1.00001.00 H ATOM 4034 HB2 PHE 257 13.318 7.968 0.096 1.00001.00 H ATOM 4035 CG PHE 257 13.107 10.080 -0.083 1.00001.00 C ATOM 4036 CD1 PHE 257 12.241 11.186 0.031 1.00001.00 C ATOM 4037 HD1 PHE 257 11.303 11.086 0.576 1.00001.00 H ATOM 4038 CD2 PHE 257 14.324 10.216 -0.776 1.00001.00 C ATOM 4039 HD2 PHE 257 14.999 9.364 -0.857 1.00001.00 H ATOM 4040 CE1 PHE 257 12.586 12.416 -0.557 1.00001.00 C ATOM 4041 HE1 PHE 257 11.911 13.268 -0.476 1.00001.00 H ATOM 4042 CE2 PHE 257 14.671 11.446 -1.359 1.00001.00 C ATOM 4043 HE2 PHE 257 15.615 11.549 -1.896 1.00001.00 H ATOM 4044 CZ PHE 257 13.802 12.544 -1.250 1.00001.00 C ATOM 4045 HZ PHE 257 14.070 13.499 -1.703 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.049 10.270 4.327 1.00001.00 H ATOM 4054 HB2 MET 258 8.630 8.621 3.991 1.00001.00 H ATOM 4055 CG MET 258 8.280 9.815 2.243 1.00001.00 C ATOM 4056 HG1 MET 258 7.270 9.413 2.151 1.00001.00 H ATOM 4057 HG2 MET 258 8.963 9.223 1.632 1.00001.00 H ATOM 4058 SD MET 258 8.265 11.508 1.579 1.00001.00 S ATOM 4059 CE MET 258 6.753 12.170 2.343 1.00001.00 C ATOM 4060 HE1 MET 258 6.705 11.858 3.386 1.00001.00 H ATOM 4061 HE2 MET 258 5.879 11.791 1.810 1.00001.00 H ATOM 4062 HE3 MET 258 6.766 13.259 2.290 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.217 7.685 9.193 1.00001.00 H ATOM 4071 HB2 TYR 259 10.029 7.091 7.525 1.00001.00 H ATOM 4072 CG TYR 259 8.464 8.358 8.204 1.00001.00 C ATOM 4073 CD1 TYR 259 7.583 7.767 9.131 1.00001.00 C ATOM 4074 HD1 TYR 259 7.948 7.010 9.826 1.00001.00 H ATOM 4075 CD2 TYR 259 7.994 9.330 7.301 1.00001.00 C ATOM 4076 HD2 TYR 259 8.683 9.803 6.602 1.00001.00 H ATOM 4077 CE1 TYR 259 6.229 8.155 9.160 1.00001.00 C ATOM 4078 HE1 TYR 259 5.548 7.725 9.895 1.00001.00 H ATOM 4079 CE2 TYR 259 6.637 9.692 7.302 1.00001.00 C ATOM 4080 HE2 TYR 259 6.265 10.423 6.586 1.00001.00 H ATOM 4081 CZ TYR 259 5.756 9.107 8.231 1.00001.00 C ATOM 4082 OH TYR 259 4.462 9.499 8.237 1.00001.00 O ATOM 4083 HH TYR 259 4.151 10.153 7.592 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 6.570 3.544 -4.195 1.00001.00 H ATOM 4377 HB2 TYR 278 5.057 3.301 -3.291 1.00001.00 H ATOM 4378 CG TYR 278 5.579 5.327 -3.624 1.00001.00 C ATOM 4379 CD1 TYR 278 6.780 6.063 -3.666 1.00001.00 C ATOM 4380 HD1 TYR 278 7.680 5.596 -4.065 1.00001.00 H ATOM 4381 CD2 TYR 278 4.427 5.921 -3.075 1.00001.00 C ATOM 4382 HD2 TYR 278 3.512 5.337 -2.965 1.00001.00 H ATOM 4383 CE1 TYR 278 6.826 7.394 -3.194 1.00001.00 C ATOM 4384 HE1 TYR 278 7.769 7.941 -3.177 1.00001.00 H ATOM 4385 CE2 TYR 278 4.456 7.265 -2.669 1.00001.00 C ATOM 4386 HE2 TYR 278 3.544 7.726 -2.289 1.00001.00 H ATOM 4387 CZ TYR 278 5.643 8.015 -2.746 1.00001.00 C ATOM 4388 OH TYR 278 5.589 9.338 -2.431 1.00001.00 O ATOM 4389 HH TYR 278 6.385 9.887 -2.512 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 4 Node: 0 # Binding energies BENERG: Met69: -0.0316376 Phe73: -0.186854 Met101: -0 Phe102: -0 Ala104: 0.216655 Leu105: -0.161113 Thr106: 0.243878 Met107: 0.259023 Gly108: 0.627816 Gly109: -0.964054 Glu111: 0.887634 Asp112: -0.301323 Leu113: -0.0273822 Leu114: -0 Leu115: -0.0445654 Tyr159: -0.0314089 Tyr200: -0.0151027 Met202: -0.0230021 Phe206: -0.41594 Leu207: -0.240179 Leu211: -0.0137347 Met250: 0.442231 Phe251: 0.480669 Tyr252: -0.0496937 Ala255: -0.871473 Phe257: -0 Met258: -0.612279 Tyr259: -0.73554 Tyr278: 0.394855 Total ionic: -0 Total H-bond: -0.440976 Total pi stack: -7.55881e-09 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -7.49124 Total: -1.17252 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 90.2453 Proximity: 3.15742 Protein clashes: -12.0929 # van der Waals repulsion vdWRPL: Phe73: 0.629059 Met107: 0.0092994 Gly108: 1.0815 Gly109: 0.00191904 Glu111: 0.00946582 Asp112: 0.0304595 Phe206: 0.963138 Leu207: 1.87631 Phe251: 1.33179 Ala255: 0.00250752 Met258: 0.00170743 Tyr259: 0.334852 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 2.052 3.727 4.369 1.00001.00 O HETATM 9001 O2 LIG 0 2.831 2.539 2.548 1.00001.00 O HETATM 9002 C3 LIG 0 4.653 4.507 7.009 1.00001.00 C HETATM 9003 C4 LIG 0 3.303 4.462 6.274 1.00001.00 C HETATM 9004 C5 LIG 0 3.355 3.728 4.940 1.00001.00 C HETATM 9005 C6 LIG 0 4.606 5.560 8.119 1.00001.00 C HETATM 9006 C7 LIG 0 5.040 3.151 7.599 1.00001.00 C HETATM 9007 C8 LIG 0 1.931 3.093 3.164 1.00001.00 C HETATM 9008 C9 LIG 0 0.512 3.171 2.687 1.00001.00 C HETATM 9009 H10 LIG 0 5.421 4.799 6.282 1.00001.00 H HETATM 9010 H11 LIG 0 2.938 5.485 6.110 1.00001.00 H HETATM 9011 H12 LIG 0 2.549 3.986 6.914 1.00001.00 H HETATM 9012 H13 LIG 0 4.041 4.228 4.248 1.00001.00 H HETATM 9013 H14 LIG 0 3.671 2.689 5.076 1.00001.00 H HETATM 9014 H15 LIG 0 5.611 5.720 8.526 1.00001.00 H HETATM 9015 H16 LIG 0 3.966 5.259 8.955 1.00001.00 H HETATM 9016 H17 LIG 0 4.250 6.522 7.736 1.00001.00 H HETATM 9017 H18 LIG 0 4.371 2.844 8.409 1.00001.00 H HETATM 9018 H19 LIG 0 6.055 3.191 8.010 1.00001.00 H HETATM 9019 H20 LIG 0 5.024 2.373 6.828 1.00001.00 H HETATM 9020 H21 LIG 0 0.222 4.217 2.557 1.00001.00 H HETATM 9021 H22 LIG 0 -0.147 2.675 3.404 1.00001.00 H HETATM 9022 H23 LIG 0 0.425 2.663 1.723 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.340 1.761 -1.321 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.906 1.812 0.366 1.00001.00 H ATOM 1149 CG PHE 73 -3.510 3.327 -0.152 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.213 2.931 -0.527 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.076 2.038 -1.135 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.678 4.513 0.602 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.684 4.837 0.875 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.099 3.683 -0.121 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.097 3.369 -0.412 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.567 5.269 0.997 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.703 6.188 1.566 1.00001.00 H ATOM 1158 CZ PHE 73 -1.274 4.839 0.658 1.00001.00 C ATOM 1159 HZ PHE 73 -0.405 5.402 0.999 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.751 13.058 6.527 1.00001.00 H ATOM 1576 HB2 MET 101 -5.288 13.735 4.946 1.00001.00 H ATOM 1577 CG MET 101 -3.641 13.019 6.124 1.00001.00 C ATOM 1578 HG1 MET 101 -3.002 12.812 5.266 1.00001.00 H ATOM 1579 HG2 MET 101 -3.484 12.256 6.886 1.00001.00 H ATOM 1580 SD MET 101 -3.146 14.620 6.820 1.00001.00 S ATOM 1581 CE MET 101 -2.067 14.038 8.144 1.00001.00 C ATOM 1582 HE1 MET 101 -1.522 14.882 8.566 1.00001.00 H ATOM 1583 HE2 MET 101 -1.359 13.313 7.744 1.00001.00 H ATOM 1584 HE3 MET 101 -2.669 13.569 8.923 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.288 9.970 7.384 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.537 10.653 8.848 1.00001.00 H ATOM 1594 CG PHE 102 -9.192 8.637 9.042 1.00001.00 C ATOM 1595 CD1 PHE 102 -10.156 7.776 8.484 1.00001.00 C ATOM 1596 HD1 PHE 102 -10.530 7.959 7.477 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.713 8.401 10.343 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.969 9.068 10.780 1.00001.00 H ATOM 1599 CE1 PHE 102 -10.638 6.680 9.224 1.00001.00 C ATOM 1600 HE1 PHE 102 -11.383 6.013 8.790 1.00001.00 H ATOM 1601 CE2 PHE 102 -9.195 7.307 11.080 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.822 7.127 12.088 1.00001.00 H ATOM 1603 CZ PHE 102 -10.153 6.445 10.522 1.00001.00 C ATOM 1604 HZ PHE 102 -10.522 5.593 11.094 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1607 N LEU 103 -7.812 7.902 5.847 1.00001.00 N ATOM 1608 HN LEU 103 -8.251 8.683 5.403 1.00001.00 H ATOM 1609 CA LEU 103 -7.867 6.615 5.162 1.00001.00 C ATOM 1610 HA LEU 103 -8.271 5.865 5.844 1.00001.00 H ATOM 1611 CB LEU 103 -8.864 6.686 3.995 1.00001.00 C ATOM 1612 HB1 LEU 103 -8.795 5.758 3.427 1.00001.00 H ATOM 1613 HB2 LEU 103 -8.585 7.524 3.356 1.00001.00 H ATOM 1614 CG LEU 103 -10.329 6.878 4.433 1.00001.00 C ATOM 1615 HG LEU 103 -10.392 7.723 5.117 1.00001.00 H ATOM 1616 CD1 LEU 103 -11.212 7.145 3.215 1.00001.00 C ATOM 1617 1HD1 LEU 103 -11.298 6.235 2.622 1.00001.00 H ATOM 1618 2HD1 LEU 103 -10.766 7.933 2.610 1.00001.00 H ATOM 1619 3HD1 LEU 103 -12.202 7.459 3.547 1.00001.00 H ATOM 1620 CD2 LEU 103 -10.891 5.652 5.158 1.00001.00 C ATOM 1621 1HD2 LEU 103 -11.953 5.798 5.349 1.00001.00 H ATOM 1622 2HD2 LEU 103 -10.365 5.517 6.103 1.00001.00 H ATOM 1623 3HD2 LEU 103 -10.752 4.767 4.536 1.00001.00 H ATOM 1624 C LEU 103 -6.475 6.175 4.705 1.00001.00 C ATOM 1625 O LEU 103 -6.110 5.033 4.958 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.747 7.751 2.584 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.620 8.801 3.725 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.391 8.312 2.197 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.415 7.430 9.170 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.902 7.992 8.368 1.00001.00 H ATOM 1643 CG LEU 105 -2.139 9.093 7.846 1.00001.00 C ATOM 1644 HG LEU 105 -2.397 9.361 6.823 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.606 10.193 8.799 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.026 11.098 8.621 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.461 9.867 9.829 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.663 10.397 8.629 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.616 8.982 7.940 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.339 8.612 8.927 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.170 9.962 7.780 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.255 8.289 7.180 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1655 N THR 106 -4.520 5.096 7.778 1.00001.00 N ATOM 1656 HN THR 106 -5.148 5.784 7.416 1.00001.00 H ATOM 1657 CA THR 106 -5.100 3.841 8.274 1.00001.00 C ATOM 1658 HA THR 106 -4.781 3.683 9.304 1.00001.00 H ATOM 1659 CB THR 106 -6.633 3.891 8.312 1.00001.00 C ATOM 1660 HB THR 106 -7.009 3.974 7.292 1.00001.00 H ATOM 1661 CG1 THR 106 -7.237 2.645 8.959 1.00001.00 C ATOM 1662 1HG1 THR 106 -8.246 2.867 9.305 1.00001.00 H ATOM 1663 2HG1 THR 106 -6.621 2.342 9.805 1.00001.00 H ATOM 1664 3HG1 THR 106 -7.273 1.837 8.228 1.00001.00 H ATOM 1665 OG2 THR 106 -7.066 4.989 9.078 1.00001.00 O ATOM 1666 HG2 THR 106 -7.544 5.612 8.508 1.00001.00 H ATOM 1667 C THR 106 -4.647 2.657 7.425 1.00001.00 C ATOM 1668 O THR 106 -4.215 1.656 7.988 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.224 1.134 3.126 1.00001.00 H ATOM 1675 HB2 MET 107 -4.111 2.885 3.431 1.00001.00 H ATOM 1676 CG MET 107 -6.106 2.102 3.461 1.00001.00 C ATOM 1677 HG1 MET 107 -6.236 2.264 2.391 1.00001.00 H ATOM 1678 HG2 MET 107 -6.456 2.978 4.006 1.00001.00 H ATOM 1679 SD MET 107 -7.153 0.702 3.936 1.00001.00 S ATOM 1680 CE MET 107 -8.681 1.619 4.247 1.00001.00 C ATOM 1681 HE1 MET 107 -8.594 2.165 5.187 1.00001.00 H ATOM 1682 HE2 MET 107 -9.517 0.921 4.309 1.00001.00 H ATOM 1683 HE3 MET 107 -8.855 2.322 3.433 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.718 -2.277 4.310 1.00001.00 H ATOM 1716 HB2 GLU 111 -0.324 -0.963 4.904 1.00001.00 H ATOM 1717 CG GLU 111 -1.334 -2.406 3.664 1.00001.00 C ATOM 1718 HG1 GLU 111 -2.317 -2.231 4.103 1.00001.00 H ATOM 1719 HG2 GLU 111 -1.225 -3.465 3.428 1.00001.00 H ATOM 1720 CD GLU 111 -1.243 -1.608 2.352 1.00001.00 C ATOM 1721 OE1 GLU 111 -2.129 -1.839 1.490 1.00001.00 O ATOM 1722 OE2 GLU 111 -0.281 -0.824 2.190 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.348 -0.767 9.535 1.00001.00 H ATOM 1731 HB2 ASP 112 3.232 -0.237 8.085 1.00001.00 H ATOM 1732 CG ASP 112 4.451 -1.186 9.573 1.00001.00 C ATOM 1733 OD1 ASP 112 5.465 -1.465 8.900 1.00001.00 O ATOM 1734 OD2 ASP 112 4.458 -1.071 10.818 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 1.258 10.697 12.337 1.00001.00 H ATOM 2482 HB2 TYR 159 0.062 9.463 12.805 1.00001.00 H ATOM 2483 CG TYR 159 1.940 9.294 13.770 1.00001.00 C ATOM 2484 CD1 TYR 159 3.116 9.905 14.252 1.00001.00 C ATOM 2485 HD1 TYR 159 3.222 10.988 14.221 1.00001.00 H ATOM 2486 CD2 TYR 159 1.806 7.893 13.799 1.00001.00 C ATOM 2487 HD2 TYR 159 0.896 7.428 13.419 1.00001.00 H ATOM 2488 CE1 TYR 159 4.154 9.110 14.772 1.00001.00 C ATOM 2489 HE1 TYR 159 5.063 9.573 15.159 1.00001.00 H ATOM 2490 CE2 TYR 159 2.839 7.095 14.313 1.00001.00 C ATOM 2491 HE2 TYR 159 2.738 6.011 14.343 1.00001.00 H ATOM 2492 CZ TYR 159 4.014 7.706 14.790 1.00001.00 C ATOM 2493 OH TYR 159 5.020 6.926 15.242 1.00001.00 O ATOM 2494 HH TYR 159 5.845 7.333 15.555 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.792 14.552 2.232 1.00001.00 H ATOM 2841 HB2 GLU 180 0.304 13.933 1.478 1.00001.00 H ATOM 2842 CG GLU 180 1.356 12.493 2.682 1.00001.00 C ATOM 2843 HG1 GLU 180 1.570 11.990 1.739 1.00001.00 H ATOM 2844 HG2 GLU 180 0.542 11.977 3.192 1.00001.00 H ATOM 2845 CD GLU 180 2.604 12.426 3.564 1.00001.00 C ATOM 2846 OE1 GLU 180 2.457 11.881 4.672 1.00001.00 O ATOM 2847 OE2 GLU 180 3.696 12.872 3.145 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.880 13.673 7.740 1.00001.00 H ATOM 2856 CG1 ILE 181 0.892 13.400 8.532 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.403 13.036 7.629 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.187 13.992 9.115 1.00001.00 H ATOM 2859 CG2 ILE 181 2.645 15.028 9.355 1.00001.00 C ATOM 2860 1HG2 ILE 181 1.882 15.683 9.776 1.00001.00 H ATOM 2861 2HG2 ILE 181 3.511 15.623 9.059 1.00001.00 H ATOM 2862 3HG2 ILE 181 2.948 14.294 10.103 1.00001.00 H ATOM 2863 CD1 ILE 181 1.334 12.195 9.372 1.00001.00 C ATOM 2864 HD1 ILE 181 1.746 12.543 10.319 1.00001.00 H ATOM 2865 HD2 ILE 181 2.097 11.634 8.830 1.00001.00 H ATOM 2866 HD3 ILE 181 0.477 11.551 9.562 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.823 19.611 1.447 1.00001.00 H ATOM 2889 HB2 HIS 183 1.691 18.531 2.297 1.00001.00 H ATOM 2890 CG HIS 183 3.466 17.594 1.605 1.00001.00 C ATOM 2891 CD2 HIS 183 3.050 16.290 1.638 1.00001.00 C ATOM 2892 HD2 HIS 183 2.142 15.815 2.008 1.00001.00 H ATOM 2893 ND1 HIS 183 4.698 17.613 0.987 1.00001.00 N ATOM 2894 CE1 HIS 183 5.024 16.348 0.671 1.00001.00 C ATOM 2895 HE1 HIS 183 5.913 15.954 0.177 1.00001.00 H ATOM 2896 NE2 HIS 183 4.055 15.518 1.061 1.00001.00 N ATOM 2897 HE2 HIS 183 3.953 14.524 1.007 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.479 12.212 12.725 1.00001.00 H ATOM 3161 HB2 TYR 200 11.951 12.741 11.108 1.00001.00 H ATOM 3162 CG TYR 200 13.365 11.149 11.106 1.00001.00 C ATOM 3163 CD1 TYR 200 14.311 10.490 11.917 1.00001.00 C ATOM 3164 HD1 TYR 200 14.220 10.525 13.002 1.00001.00 H ATOM 3165 CD2 TYR 200 13.489 11.114 9.708 1.00001.00 C ATOM 3166 HD2 TYR 200 12.749 11.613 9.083 1.00001.00 H ATOM 3167 CE1 TYR 200 15.377 9.786 11.323 1.00001.00 C ATOM 3168 HE1 TYR 200 16.102 9.261 11.946 1.00001.00 H ATOM 3169 CE2 TYR 200 14.566 10.437 9.115 1.00001.00 C ATOM 3170 HE2 TYR 200 14.676 10.434 8.031 1.00001.00 H ATOM 3171 CZ TYR 200 15.504 9.760 9.917 1.00001.00 C ATOM 3172 OH TYR 200 16.540 9.101 9.335 1.00001.00 O ATOM 3173 HH TYR 200 17.197 8.646 9.885 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.285 3.651 11.289 1.00001.00 H ATOM 3252 HB2 PHE 206 5.763 3.691 12.990 1.00001.00 H ATOM 3253 CG PHE 206 4.600 2.433 11.732 1.00001.00 C ATOM 3254 CD1 PHE 206 4.348 2.089 10.390 1.00001.00 C ATOM 3255 HD1 PHE 206 5.108 2.267 9.630 1.00001.00 H ATOM 3256 CD2 PHE 206 3.616 2.194 12.711 1.00001.00 C ATOM 3257 HD2 PHE 206 3.814 2.451 13.752 1.00001.00 H ATOM 3258 CE1 PHE 206 3.118 1.513 10.031 1.00001.00 C ATOM 3259 HE1 PHE 206 2.931 1.239 8.994 1.00001.00 H ATOM 3260 CE2 PHE 206 2.381 1.627 12.348 1.00001.00 C ATOM 3261 HE2 PHE 206 1.618 1.446 13.105 1.00001.00 H ATOM 3262 CZ PHE 206 2.131 1.293 11.005 1.00001.00 C ATOM 3263 HZ PHE 206 1.170 0.865 10.719 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.822 1.644 7.394 1.00001.00 H ATOM 3272 HB2 LEU 207 10.026 2.737 8.784 1.00001.00 H ATOM 3273 CG LEU 207 8.283 3.125 7.595 1.00001.00 C ATOM 3274 HG LEU 207 7.611 3.485 8.374 1.00001.00 H ATOM 3275 CD1 LEU 207 9.024 4.312 6.970 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.531 4.876 7.752 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.309 4.958 6.461 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.757 3.944 6.253 1.00001.00 H ATOM 3279 CD2 LEU 207 7.437 2.462 6.509 1.00001.00 C ATOM 3280 1HD2 LEU 207 6.873 1.636 6.941 1.00001.00 H ATOM 3281 2HD2 LEU 207 8.088 2.087 5.720 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.744 3.195 6.090 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.072 0.484 -4.411 1.00001.00 H ATOM 3935 HB2 MET 250 8.189 -1.233 -3.955 1.00001.00 H ATOM 3936 CG MET 250 9.299 -0.702 -5.717 1.00001.00 C ATOM 3937 HG1 MET 250 9.953 -1.569 -5.619 1.00001.00 H ATOM 3938 HG2 MET 250 9.880 0.155 -6.060 1.00001.00 H ATOM 3939 SD MET 250 8.056 -1.079 -6.990 1.00001.00 S ATOM 3940 CE MET 250 7.274 -2.561 -6.296 1.00001.00 C ATOM 3941 HE1 MET 250 6.504 -2.920 -6.978 1.00001.00 H ATOM 3942 HE2 MET 250 6.821 -2.314 -5.334 1.00001.00 H ATOM 3943 HE3 MET 250 8.027 -3.335 -6.154 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.038 -1.735 0.974 1.00001.00 H ATOM 3952 HB2 PHE 251 6.581 -1.392 0.010 1.00001.00 H ATOM 3953 CG PHE 251 6.552 -0.592 1.984 1.00001.00 C ATOM 3954 CD1 PHE 251 7.166 -0.727 3.247 1.00001.00 C ATOM 3955 HD1 PHE 251 8.168 -1.150 3.320 1.00001.00 H ATOM 3956 CD2 PHE 251 5.252 -0.064 1.893 1.00001.00 C ATOM 3957 HD2 PHE 251 4.771 0.030 0.920 1.00001.00 H ATOM 3958 CE1 PHE 251 6.488 -0.316 4.407 1.00001.00 C ATOM 3959 HE1 PHE 251 6.961 -0.420 5.384 1.00001.00 H ATOM 3960 CE2 PHE 251 4.574 0.341 3.054 1.00001.00 C ATOM 3961 HE2 PHE 251 3.564 0.743 2.982 1.00001.00 H ATOM 3962 CZ PHE 251 5.197 0.228 4.307 1.00001.00 C ATOM 3963 HZ PHE 251 4.680 0.563 5.205 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.883 -0.059 3.260 1.00001.00 H ATOM 3972 HB2 TYR 252 12.216 -1.148 2.021 1.00001.00 H ATOM 3973 CG TYR 252 11.317 -1.327 3.938 1.00001.00 C ATOM 3974 CD1 TYR 252 11.453 -0.941 5.287 1.00001.00 C ATOM 3975 HD1 TYR 252 12.022 -0.050 5.549 1.00001.00 H ATOM 3976 CD2 TYR 252 10.557 -2.459 3.595 1.00001.00 C ATOM 3977 HD2 TYR 252 10.440 -2.740 2.548 1.00001.00 H ATOM 3978 CE1 TYR 252 10.849 -1.712 6.298 1.00001.00 C ATOM 3979 HE1 TYR 252 10.949 -1.424 7.343 1.00001.00 H ATOM 3980 CE2 TYR 252 9.948 -3.227 4.603 1.00001.00 C ATOM 3981 HE2 TYR 252 9.353 -4.101 4.342 1.00001.00 H ATOM 3982 CZ TYR 252 10.112 -2.861 5.952 1.00001.00 C ATOM 3983 OH TYR 252 9.562 -3.624 6.919 1.00001.00 O ATOM 3984 HH TYR 252 9.055 -4.416 6.682 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 8.073 4.181 -0.220 1.00001.00 H ATOM 4000 HB2 ALA 254 8.612 4.880 -1.767 1.00001.00 H ATOM 4001 HB3 ALA 254 7.857 5.919 -0.535 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 9.075 3.855 5.504 1.00001.00 H ATOM 4010 HB2 ALA 255 9.864 2.936 4.199 1.00001.00 H ATOM 4011 HB3 ALA 255 8.139 3.359 4.075 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.680 8.696 0.481 1.00001.00 H ATOM 4034 HB2 PHE 257 13.232 7.903 0.116 1.00001.00 H ATOM 4035 CG PHE 257 13.240 10.021 -0.114 1.00001.00 C ATOM 4036 CD1 PHE 257 12.400 11.149 -0.206 1.00001.00 C ATOM 4037 HD1 PHE 257 11.390 11.106 0.200 1.00001.00 H ATOM 4038 CD2 PHE 257 14.549 10.083 -0.627 1.00001.00 C ATOM 4039 HD2 PHE 257 15.202 9.215 -0.549 1.00001.00 H ATOM 4040 CE1 PHE 257 12.862 12.326 -0.820 1.00001.00 C ATOM 4041 HE1 PHE 257 12.208 13.194 -0.898 1.00001.00 H ATOM 4042 CE2 PHE 257 15.013 11.260 -1.237 1.00001.00 C ATOM 4043 HE2 PHE 257 16.027 11.306 -1.634 1.00001.00 H ATOM 4044 CZ PHE 257 14.170 12.380 -1.333 1.00001.00 C ATOM 4045 HZ PHE 257 14.529 13.295 -1.806 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.042 10.324 4.262 1.00001.00 H ATOM 4054 HB2 MET 258 8.609 8.647 4.069 1.00001.00 H ATOM 4055 CG MET 258 8.318 9.706 2.226 1.00001.00 C ATOM 4056 HG1 MET 258 8.999 9.051 1.682 1.00001.00 H ATOM 4057 HG2 MET 258 8.440 10.730 1.872 1.00001.00 H ATOM 4058 SD MET 258 6.619 9.184 1.840 1.00001.00 S ATOM 4059 CE MET 258 6.719 7.397 2.169 1.00001.00 C ATOM 4060 HE1 MET 258 7.275 7.228 3.091 1.00001.00 H ATOM 4061 HE2 MET 258 7.229 6.902 1.341 1.00001.00 H ATOM 4062 HE3 MET 258 5.712 6.989 2.271 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.103 7.807 9.244 1.00001.00 H ATOM 4071 HB2 TYR 259 10.151 7.037 7.639 1.00001.00 H ATOM 4072 CG TYR 259 8.455 8.268 7.989 1.00001.00 C ATOM 4073 CD1 TYR 259 7.701 8.804 9.052 1.00001.00 C ATOM 4074 HD1 TYR 259 8.171 8.985 10.019 1.00001.00 H ATOM 4075 CD2 TYR 259 7.848 8.028 6.742 1.00001.00 C ATOM 4076 HD2 TYR 259 8.439 7.637 5.915 1.00001.00 H ATOM 4077 CE1 TYR 259 6.338 9.107 8.864 1.00001.00 C ATOM 4078 HE1 TYR 259 5.756 9.551 9.672 1.00001.00 H ATOM 4079 CE2 TYR 259 6.480 8.294 6.563 1.00001.00 C ATOM 4080 HE2 TYR 259 6.003 8.082 5.608 1.00001.00 H ATOM 4081 CZ TYR 259 5.727 8.834 7.621 1.00001.00 C ATOM 4082 OH TYR 259 4.421 9.116 7.413 1.00001.00 O ATOM 4083 HH TYR 259 4.015 8.922 6.554 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 6.596 3.663 -4.237 1.00001.00 H ATOM 4377 HB2 TYR 278 5.143 3.208 -3.317 1.00001.00 H ATOM 4378 CG TYR 278 5.438 5.294 -3.538 1.00001.00 C ATOM 4379 CD1 TYR 278 6.430 6.251 -3.833 1.00001.00 C ATOM 4380 HD1 TYR 278 7.258 5.979 -4.488 1.00001.00 H ATOM 4381 CD2 TYR 278 4.390 5.637 -2.663 1.00001.00 C ATOM 4382 HD2 TYR 278 3.660 4.883 -2.365 1.00001.00 H ATOM 4383 CE1 TYR 278 6.362 7.551 -3.286 1.00001.00 C ATOM 4384 HE1 TYR 278 7.160 8.271 -3.473 1.00001.00 H ATOM 4385 CE2 TYR 278 4.285 6.950 -2.174 1.00001.00 C ATOM 4386 HE2 TYR 278 3.443 7.214 -1.536 1.00001.00 H ATOM 4387 CZ TYR 278 5.252 7.919 -2.499 1.00001.00 C ATOM 4388 OH TYR 278 5.047 9.196 -2.078 1.00001.00 O ATOM 4389 HH TYR 278 5.679 9.892 -2.320 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 5 Node: 0 # Binding energies BENERG: Met69: -0.0175142 Phe73: -0.149076 Met101: -0.00439391 Phe102: -0 Ala104: 0.242834 Leu105: -0.321384 Thr106: 0.242726 Met107: 0.237817 Gly108: 0.686918 Gly109: -0.918291 Glu111: 0.779497 Asp112: -0.325982 Leu113: -0.0285686 Leu114: -0 Leu115: -0.0314919 Tyr159: -0.0949956 Glu180: 0.229353 Ile181: -0.0781235 Tyr200: -0.0228451 Met202: -0.0383314 Phe206: 0.747251 Leu207: -0.519962 Leu211: -0.0114256 Met250: -0 Phe251: 0.380671 Tyr252: -0.0331543 Ala255: -0.713031 Phe257: -0 Met258: -0.136959 Tyr259: -0.249356 Tyr278: 0.3931 Total ionic: -0 Total H-bond: -0.124189 Total pi stack: -3.08478e-05 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -7.21344 Total: 0.245284 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 92.0637 Proximity: 3.18264 Protein clashes: 34.6029 # van der Waals repulsion vdWRPL: Phe73: 0.919485 Ala104: 0.00504248 Met107: 0.005618 Gly108: 1.11701 Gly109: 0.0027043 Asp112: 0.0166389 Phe206: 1.40197 Leu207: 1.51972 Phe251: 0.802251 Ala255: 0.00528334 Tyr259: 1.08289 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 2.131 4.038 4.772 1.00001.00 O HETATM 9001 O2 LIG 0 2.987 2.863 2.976 1.00001.00 O HETATM 9002 C3 LIG 0 4.618 4.792 7.526 1.00001.00 C HETATM 9003 C4 LIG 0 3.302 4.758 6.733 1.00001.00 C HETATM 9004 C5 LIG 0 3.398 3.995 5.418 1.00001.00 C HETATM 9005 C6 LIG 0 4.531 5.847 8.632 1.00001.00 C HETATM 9006 C7 LIG 0 4.968 3.434 8.135 1.00001.00 C HETATM 9007 C8 LIG 0 2.066 3.429 3.550 1.00001.00 C HETATM 9008 C9 LIG 0 0.680 3.552 2.993 1.00001.00 C HETATM 9009 H10 LIG 0 5.420 5.077 6.834 1.00001.00 H HETATM 9010 H11 LIG 0 2.964 5.783 6.533 1.00001.00 H HETATM 9011 H12 LIG 0 2.511 4.309 7.349 1.00001.00 H HETATM 9012 H13 LIG 0 4.143 4.451 4.758 1.00001.00 H HETATM 9013 H14 LIG 0 3.660 2.947 5.591 1.00001.00 H HETATM 9014 H15 LIG 0 5.518 5.999 9.083 1.00001.00 H HETATM 9015 H16 LIG 0 3.853 5.553 9.440 1.00001.00 H HETATM 9016 H17 LIG 0 4.200 6.812 8.233 1.00001.00 H HETATM 9017 H18 LIG 0 4.261 3.134 8.915 1.00001.00 H HETATM 9018 H19 LIG 0 5.964 3.466 8.590 1.00001.00 H HETATM 9019 H20 LIG 0 4.979 2.655 7.365 1.00001.00 H HETATM 9020 H21 LIG 0 0.380 4.603 2.973 1.00001.00 H HETATM 9021 H22 LIG 0 -0.016 2.964 3.598 1.00001.00 H HETATM 9022 H23 LIG 0 0.664 3.166 1.970 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.361 1.732 -1.305 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.897 1.843 0.389 1.00001.00 H ATOM 1149 CG PHE 73 -3.494 3.324 -0.201 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.309 2.737 0.280 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.229 1.652 0.336 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.571 4.733 -0.309 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.478 5.193 -0.704 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.235 3.544 0.687 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.322 3.082 1.063 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.494 5.537 0.087 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.553 6.621 -0.010 1.00001.00 H ATOM 1158 CZ PHE 73 -1.335 4.943 0.611 1.00001.00 C ATOM 1159 HZ PHE 73 -0.511 5.567 0.959 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.946 13.224 6.284 1.00001.00 H ATOM 1576 HB2 MET 101 -4.946 13.684 4.885 1.00001.00 H ATOM 1577 CG MET 101 -3.843 12.863 6.536 1.00001.00 C ATOM 1578 HG1 MET 101 -3.028 12.476 5.924 1.00001.00 H ATOM 1579 HG2 MET 101 -4.041 12.172 7.355 1.00001.00 H ATOM 1580 SD MET 101 -3.309 14.444 7.248 1.00001.00 S ATOM 1581 CE MET 101 -3.145 13.942 8.973 1.00001.00 C ATOM 1582 HE1 MET 101 -2.647 14.732 9.536 1.00001.00 H ATOM 1583 HE2 MET 101 -2.555 13.028 9.032 1.00001.00 H ATOM 1584 HE3 MET 101 -4.134 13.765 9.395 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.285 9.981 7.385 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.535 10.646 8.857 1.00001.00 H ATOM 1594 CG PHE 102 -9.199 8.631 9.029 1.00001.00 C ATOM 1595 CD1 PHE 102 -10.200 7.810 8.477 1.00001.00 C ATOM 1596 HD1 PHE 102 -10.597 8.029 7.486 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.690 8.349 10.309 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.917 8.984 10.742 1.00001.00 H ATOM 1599 CE1 PHE 102 -10.690 6.708 9.202 1.00001.00 C ATOM 1600 HE1 PHE 102 -11.465 6.072 8.773 1.00001.00 H ATOM 1601 CE2 PHE 102 -9.180 7.248 11.032 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.784 7.032 12.024 1.00001.00 H ATOM 1603 CZ PHE 102 -10.176 6.426 10.479 1.00001.00 C ATOM 1604 HZ PHE 102 -10.551 5.570 11.040 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1607 N LEU 103 -7.812 7.902 5.847 1.00001.00 N ATOM 1608 HN LEU 103 -8.251 8.683 5.403 1.00001.00 H ATOM 1609 CA LEU 103 -7.867 6.615 5.162 1.00001.00 C ATOM 1610 HA LEU 103 -8.271 5.865 5.844 1.00001.00 H ATOM 1611 CB LEU 103 -8.864 6.686 3.995 1.00001.00 C ATOM 1612 HB1 LEU 103 -8.316 6.948 3.090 1.00001.00 H ATOM 1613 HB2 LEU 103 -9.594 7.464 4.215 1.00001.00 H ATOM 1614 CG LEU 103 -9.622 5.370 3.737 1.00001.00 C ATOM 1615 HG LEU 103 -10.077 5.029 4.667 1.00001.00 H ATOM 1616 CD1 LEU 103 -10.712 5.586 2.688 1.00001.00 C ATOM 1617 1HD1 LEU 103 -10.293 6.115 1.833 1.00001.00 H ATOM 1618 2HD1 LEU 103 -11.520 6.175 3.122 1.00001.00 H ATOM 1619 3HD1 LEU 103 -11.101 4.620 2.366 1.00001.00 H ATOM 1620 CD2 LEU 103 -8.704 4.252 3.234 1.00001.00 C ATOM 1621 1HD2 LEU 103 -8.325 3.684 4.082 1.00001.00 H ATOM 1622 2HD2 LEU 103 -7.870 4.687 2.684 1.00001.00 H ATOM 1623 3HD2 LEU 103 -9.267 3.589 2.575 1.00001.00 H ATOM 1624 C LEU 103 -6.475 6.175 4.705 1.00001.00 C ATOM 1625 O LEU 103 -6.110 5.033 4.958 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.668 7.830 2.791 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.835 8.861 3.651 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.255 8.173 2.064 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.451 7.416 9.180 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.900 8.019 8.339 1.00001.00 H ATOM 1643 CG LEU 105 -2.095 9.075 7.871 1.00001.00 C ATOM 1644 HG LEU 105 -2.342 9.370 6.852 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.526 10.173 8.843 1.00001.00 C ATOM 1646 1HD1 LEU 105 -1.990 11.093 8.613 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.296 9.865 9.863 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.599 10.342 8.749 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.577 8.912 7.964 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.279 8.880 9.013 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.090 9.753 7.473 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.281 7.984 7.476 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.208 1.143 3.124 1.00001.00 H ATOM 1675 HB2 MET 107 -4.126 2.895 3.436 1.00001.00 H ATOM 1676 CG MET 107 -6.107 2.078 3.456 1.00001.00 C ATOM 1677 HG1 MET 107 -6.242 2.149 2.377 1.00001.00 H ATOM 1678 HG2 MET 107 -6.456 2.997 3.928 1.00001.00 H ATOM 1679 SD MET 107 -7.151 0.722 4.053 1.00001.00 S ATOM 1680 CE MET 107 -8.649 1.680 4.386 1.00001.00 C ATOM 1681 HE1 MET 107 -8.510 2.273 5.290 1.00001.00 H ATOM 1682 HE2 MET 107 -9.491 1.000 4.523 1.00001.00 H ATOM 1683 HE3 MET 107 -8.851 2.343 3.544 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.598 -1.377 4.807 1.00001.00 H ATOM 1716 HB2 GLU 111 -1.155 -1.434 4.508 1.00001.00 H ATOM 1717 CG GLU 111 -0.034 -2.991 3.527 1.00001.00 C ATOM 1718 HG1 GLU 111 -0.833 -3.733 3.527 1.00001.00 H ATOM 1719 HG2 GLU 111 0.925 -3.489 3.675 1.00001.00 H ATOM 1720 CD GLU 111 -0.014 -2.305 2.149 1.00001.00 C ATOM 1721 OE1 GLU 111 0.125 -3.055 1.150 1.00001.00 O ATOM 1722 OE2 GLU 111 -0.082 -1.057 2.098 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.321 -0.735 9.491 1.00001.00 H ATOM 1731 HB2 ASP 112 3.291 -0.251 8.080 1.00001.00 H ATOM 1732 CG ASP 112 4.407 -1.210 9.641 1.00001.00 C ATOM 1733 OD1 ASP 112 5.429 -1.594 9.035 1.00001.00 O ATOM 1734 OD2 ASP 112 4.370 -1.010 10.874 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 1.899 10.379 13.100 1.00001.00 H ATOM 2482 HB2 TYR 159 0.371 10.254 12.195 1.00001.00 H ATOM 2483 CG TYR 159 0.719 8.684 13.574 1.00001.00 C ATOM 2484 CD1 TYR 159 1.142 8.266 14.853 1.00001.00 C ATOM 2485 HD1 TYR 159 1.529 8.994 15.566 1.00001.00 H ATOM 2486 CD2 TYR 159 0.230 7.746 12.648 1.00001.00 C ATOM 2487 HD2 TYR 159 -0.090 8.076 11.659 1.00001.00 H ATOM 2488 CE1 TYR 159 1.064 6.906 15.205 1.00001.00 C ATOM 2489 HE1 TYR 159 1.377 6.574 16.196 1.00001.00 H ATOM 2490 CE2 TYR 159 0.153 6.387 12.992 1.00001.00 C ATOM 2491 HE2 TYR 159 -0.231 5.657 12.281 1.00001.00 H ATOM 2492 CZ TYR 159 0.579 5.971 14.268 1.00001.00 C ATOM 2493 OH TYR 159 0.542 4.656 14.573 1.00001.00 O ATOM 2494 HH TYR 159 0.852 4.352 15.442 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.799 14.545 2.240 1.00001.00 H ATOM 2841 HB2 GLU 180 0.308 13.945 1.475 1.00001.00 H ATOM 2842 CG GLU 180 1.341 12.487 2.674 1.00001.00 C ATOM 2843 HG1 GLU 180 1.554 11.988 1.729 1.00001.00 H ATOM 2844 HG2 GLU 180 0.520 11.975 3.177 1.00001.00 H ATOM 2845 CD GLU 180 2.584 12.402 3.561 1.00001.00 C ATOM 2846 OE1 GLU 180 2.423 11.868 4.673 1.00001.00 O ATOM 2847 OE2 GLU 180 3.686 12.824 3.143 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.881 13.674 7.741 1.00001.00 H ATOM 2856 CG1 ILE 181 0.893 13.399 8.531 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.449 12.978 7.629 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.153 14.006 9.052 1.00001.00 H ATOM 2859 CG2 ILE 181 2.643 15.028 9.356 1.00001.00 C ATOM 2860 1HG2 ILE 181 1.967 15.831 9.648 1.00001.00 H ATOM 2861 2HG2 ILE 181 3.621 15.447 9.114 1.00001.00 H ATOM 2862 3HG2 ILE 181 2.746 14.321 10.180 1.00001.00 H ATOM 2863 CD1 ILE 181 1.321 12.249 9.451 1.00001.00 C ATOM 2864 HD1 ILE 181 1.418 12.616 10.472 1.00001.00 H ATOM 2865 HD2 ILE 181 2.281 11.853 9.117 1.00001.00 H ATOM 2866 HD3 ILE 181 0.572 11.459 9.418 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.368 19.663 1.622 1.00001.00 H ATOM 2889 HB2 HIS 183 1.919 18.100 2.347 1.00001.00 H ATOM 2890 CG HIS 183 3.768 18.098 1.304 1.00001.00 C ATOM 2891 CD2 HIS 183 3.906 16.750 1.111 1.00001.00 C ATOM 2892 HD2 HIS 183 3.335 15.892 1.464 1.00001.00 H ATOM 2893 ND1 HIS 183 4.768 18.718 0.586 1.00001.00 N ATOM 2894 CE1 HIS 183 5.502 17.763 -0.013 1.00001.00 C ATOM 2895 HE1 HIS 183 6.374 17.851 -0.662 1.00001.00 H ATOM 2896 NE2 HIS 183 5.017 16.559 0.293 1.00001.00 N ATOM 2897 HE2 HIS 183 5.303 15.632 0.048 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.442 12.264 12.716 1.00001.00 H ATOM 3161 HB2 TYR 200 11.970 12.707 11.057 1.00001.00 H ATOM 3162 CG TYR 200 13.389 11.125 11.186 1.00001.00 C ATOM 3163 CD1 TYR 200 14.330 10.547 12.062 1.00001.00 C ATOM 3164 HD1 TYR 200 14.215 10.663 13.140 1.00001.00 H ATOM 3165 CD2 TYR 200 13.542 10.986 9.797 1.00001.00 C ATOM 3166 HD2 TYR 200 12.807 11.423 9.122 1.00001.00 H ATOM 3167 CE1 TYR 200 15.419 9.819 11.544 1.00001.00 C ATOM 3168 HE1 TYR 200 16.139 9.356 12.219 1.00001.00 H ATOM 3169 CE2 TYR 200 14.642 10.287 9.278 1.00001.00 C ATOM 3170 HE2 TYR 200 14.774 10.203 8.199 1.00001.00 H ATOM 3171 CZ TYR 200 15.575 9.690 10.147 1.00001.00 C ATOM 3172 OH TYR 200 16.633 9.007 9.637 1.00001.00 O ATOM 3173 HH TYR 200 17.287 8.607 10.232 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.164 7.497 15.603 1.00001.00 H ATOM 3198 HB2 MET 202 6.934 9.017 15.086 1.00001.00 H ATOM 3199 CG MET 202 7.205 8.540 17.154 1.00001.00 C ATOM 3200 HG1 MET 202 6.412 9.246 17.394 1.00001.00 H ATOM 3201 HG2 MET 202 8.174 9.025 17.277 1.00001.00 H ATOM 3202 SD MET 202 7.108 7.151 18.312 1.00001.00 S ATOM 3203 CE MET 202 7.730 7.969 19.798 1.00001.00 C ATOM 3204 HE1 MET 202 7.525 7.346 20.669 1.00001.00 H ATOM 3205 HE2 MET 202 7.235 8.933 19.917 1.00001.00 H ATOM 3206 HE3 MET 202 8.805 8.123 19.706 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.296 3.669 11.307 1.00001.00 H ATOM 3252 HB2 PHE 206 5.744 3.674 12.999 1.00001.00 H ATOM 3253 CG PHE 206 4.611 2.433 11.697 1.00001.00 C ATOM 3254 CD1 PHE 206 4.400 2.075 10.352 1.00001.00 C ATOM 3255 HD1 PHE 206 5.184 2.243 9.614 1.00001.00 H ATOM 3256 CD2 PHE 206 3.596 2.207 12.647 1.00001.00 C ATOM 3257 HD2 PHE 206 3.762 2.474 13.691 1.00001.00 H ATOM 3258 CE1 PHE 206 3.180 1.499 9.961 1.00001.00 C ATOM 3259 HE1 PHE 206 3.025 1.214 8.921 1.00001.00 H ATOM 3260 CE2 PHE 206 2.371 1.639 12.252 1.00001.00 C ATOM 3261 HE2 PHE 206 1.585 1.468 12.987 1.00001.00 H ATOM 3262 CZ PHE 206 2.162 1.292 10.905 1.00001.00 C ATOM 3263 HZ PHE 206 1.209 0.863 10.594 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.795 1.644 7.378 1.00001.00 H ATOM 3272 HB2 LEU 207 10.048 2.717 8.775 1.00001.00 H ATOM 3273 CG LEU 207 8.288 3.151 7.628 1.00001.00 C ATOM 3274 HG LEU 207 7.705 3.588 8.438 1.00001.00 H ATOM 3275 CD1 LEU 207 9.036 4.259 6.880 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.637 4.832 7.586 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.317 4.919 6.396 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.686 3.814 6.127 1.00001.00 H ATOM 3279 CD2 LEU 207 7.319 2.484 6.653 1.00001.00 C ATOM 3280 1HD2 LEU 207 6.750 1.715 7.174 1.00001.00 H ATOM 3281 2HD2 LEU 207 7.880 2.032 5.835 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.634 3.234 6.252 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.086 0.492 -4.429 1.00001.00 H ATOM 3935 HB2 MET 250 8.174 -1.218 -3.944 1.00001.00 H ATOM 3936 CG MET 250 9.301 -0.734 -5.709 1.00001.00 C ATOM 3937 HG1 MET 250 9.828 -1.684 -5.618 1.00001.00 H ATOM 3938 HG2 MET 250 10.004 0.046 -6.002 1.00001.00 H ATOM 3939 SD MET 250 8.066 -0.902 -7.034 1.00001.00 S ATOM 3940 CE MET 250 6.992 -2.195 -6.356 1.00001.00 C ATOM 3941 HE1 MET 250 6.627 -1.888 -5.376 1.00001.00 H ATOM 3942 HE2 MET 250 7.558 -3.123 -6.260 1.00001.00 H ATOM 3943 HE3 MET 250 6.148 -2.353 -7.026 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.031 -1.755 0.930 1.00001.00 H ATOM 3952 HB2 PHE 251 6.547 -1.362 0.028 1.00001.00 H ATOM 3953 CG PHE 251 6.606 -0.606 2.019 1.00001.00 C ATOM 3954 CD1 PHE 251 7.269 -0.765 3.254 1.00001.00 C ATOM 3955 HD1 PHE 251 8.269 -1.197 3.280 1.00001.00 H ATOM 3956 CD2 PHE 251 5.308 -0.066 1.987 1.00001.00 C ATOM 3957 HD2 PHE 251 4.790 0.047 1.036 1.00001.00 H ATOM 3958 CE1 PHE 251 6.642 -0.367 4.446 1.00001.00 C ATOM 3959 HE1 PHE 251 7.153 -0.490 5.401 1.00001.00 H ATOM 3960 CE2 PHE 251 4.681 0.327 3.181 1.00001.00 C ATOM 3961 HE2 PHE 251 3.672 0.738 3.156 1.00001.00 H ATOM 3962 CZ PHE 251 5.353 0.189 4.406 1.00001.00 C ATOM 3963 HZ PHE 251 4.875 0.515 5.330 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.918 -0.067 3.180 1.00001.00 H ATOM 3972 HB2 TYR 252 12.145 -1.196 2.042 1.00001.00 H ATOM 3973 CG TYR 252 11.365 -1.253 4.017 1.00001.00 C ATOM 3974 CD1 TYR 252 11.544 -0.770 5.330 1.00001.00 C ATOM 3975 HD1 TYR 252 12.112 0.143 5.507 1.00001.00 H ATOM 3976 CD2 TYR 252 10.606 -2.413 3.784 1.00001.00 C ATOM 3977 HD2 TYR 252 10.455 -2.770 2.765 1.00001.00 H ATOM 3978 CE1 TYR 252 10.985 -1.472 6.414 1.00001.00 C ATOM 3979 HE1 TYR 252 11.119 -1.108 7.432 1.00001.00 H ATOM 3980 CE2 TYR 252 10.042 -3.112 4.865 1.00001.00 C ATOM 3981 HE2 TYR 252 9.448 -4.008 4.689 1.00001.00 H ATOM 3982 CZ TYR 252 10.249 -2.649 6.178 1.00001.00 C ATOM 3983 OH TYR 252 9.742 -3.345 7.216 1.00001.00 O ATOM 3984 HH TYR 252 9.236 -4.156 7.055 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 7.922 4.454 -0.005 1.00001.00 H ATOM 4000 HB2 ALA 254 8.628 4.524 -1.638 1.00001.00 H ATOM 4001 HB3 ALA 254 7.992 6.003 -0.879 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 10.022 3.198 4.771 1.00001.00 H ATOM 4010 HB2 ALA 255 8.587 3.046 3.727 1.00001.00 H ATOM 4011 HB3 ALA 255 8.472 3.907 5.282 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.689 8.614 0.479 1.00001.00 H ATOM 4034 HB2 PHE 257 13.297 7.951 0.101 1.00001.00 H ATOM 4035 CG PHE 257 13.140 10.067 -0.091 1.00001.00 C ATOM 4036 CD1 PHE 257 12.290 11.187 -0.006 1.00001.00 C ATOM 4037 HD1 PHE 257 11.340 11.108 0.522 1.00001.00 H ATOM 4038 CD2 PHE 257 14.373 10.176 -0.761 1.00001.00 C ATOM 4039 HD2 PHE 257 15.035 9.312 -0.820 1.00001.00 H ATOM 4040 CE1 PHE 257 12.665 12.405 -0.600 1.00001.00 C ATOM 4041 HE1 PHE 257 12.002 13.268 -0.542 1.00001.00 H ATOM 4042 CE2 PHE 257 14.750 11.393 -1.352 1.00001.00 C ATOM 4043 HE2 PHE 257 15.705 11.476 -1.871 1.00001.00 H ATOM 4044 CZ PHE 257 13.896 12.506 -1.272 1.00001.00 C ATOM 4045 HZ PHE 257 14.187 13.452 -1.730 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.051 10.258 4.340 1.00001.00 H ATOM 4054 HB2 MET 258 8.634 8.616 3.974 1.00001.00 H ATOM 4055 CG MET 258 8.272 9.838 2.248 1.00001.00 C ATOM 4056 HG1 MET 258 7.261 9.439 2.156 1.00001.00 H ATOM 4057 HG2 MET 258 8.950 9.255 1.624 1.00001.00 H ATOM 4058 SD MET 258 8.256 11.541 1.610 1.00001.00 S ATOM 4059 CE MET 258 6.764 12.202 2.414 1.00001.00 C ATOM 4060 HE1 MET 258 6.844 13.286 2.494 1.00001.00 H ATOM 4061 HE2 MET 258 6.666 11.770 3.411 1.00001.00 H ATOM 4062 HE3 MET 258 5.886 11.946 1.819 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.123 7.787 9.237 1.00001.00 H ATOM 4071 HB2 TYR 259 10.131 7.045 7.619 1.00001.00 H ATOM 4072 CG TYR 259 8.454 8.285 8.024 1.00001.00 C ATOM 4073 CD1 TYR 259 7.508 7.731 8.909 1.00001.00 C ATOM 4074 HD1 TYR 259 7.830 7.055 9.701 1.00001.00 H ATOM 4075 CD2 TYR 259 8.039 9.152 6.996 1.00001.00 C ATOM 4076 HD2 TYR 259 8.776 9.598 6.329 1.00001.00 H ATOM 4077 CE1 TYR 259 6.143 8.052 8.769 1.00001.00 C ATOM 4078 HE1 TYR 259 5.409 7.652 9.469 1.00001.00 H ATOM 4079 CE2 TYR 259 6.675 9.444 6.831 1.00001.00 C ATOM 4080 HE2 TYR 259 6.349 10.092 6.019 1.00001.00 H ATOM 4081 CZ TYR 259 5.729 8.897 7.717 1.00001.00 C ATOM 4082 OH TYR 259 4.426 9.222 7.560 1.00001.00 O ATOM 4083 HH TYR 259 4.156 9.803 6.832 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 6.582 3.589 -4.212 1.00001.00 H ATOM 4377 HB2 TYR 278 5.089 3.264 -3.300 1.00001.00 H ATOM 4378 CG TYR 278 5.524 5.317 -3.591 1.00001.00 C ATOM 4379 CD1 TYR 278 6.706 6.085 -3.576 1.00001.00 C ATOM 4380 HD1 TYR 278 7.631 5.651 -3.954 1.00001.00 H ATOM 4381 CD2 TYR 278 4.339 5.867 -3.069 1.00001.00 C ATOM 4382 HD2 TYR 278 3.437 5.257 -3.003 1.00001.00 H ATOM 4383 CE1 TYR 278 6.700 7.405 -3.073 1.00001.00 C ATOM 4384 HE1 TYR 278 7.627 7.976 -3.012 1.00001.00 H ATOM 4385 CE2 TYR 278 4.318 7.202 -2.632 1.00001.00 C ATOM 4386 HE2 TYR 278 3.382 7.630 -2.274 1.00001.00 H ATOM 4387 CZ TYR 278 5.486 7.985 -2.652 1.00001.00 C ATOM 4388 OH TYR 278 5.386 9.298 -2.310 1.00001.00 O ATOM 4389 HH TYR 278 6.169 9.870 -2.352 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 6 Node: 0 # Binding energies BENERG: Met69: -0.0411877 Phe73: -0.122959 Met101: -0 Phe102: -0 Ala104: 0.272666 Leu105: -0.165465 Thr106: 0.261363 Met107: 0.305007 Gly108: 0.89982 Gly109: -0.866746 Ala110: -0.0311781 Glu111: 0.808299 Asp112: -0.381751 Leu113: -0.0533881 Leu114: -0 Leu115: -0.0579918 Tyr159: -0.0358877 Tyr200: -0.0127282 Met202: -0.0276806 Phe206: 0.515694 Leu207: 0.0119635 Leu211: -0.0150572 Met250: 0.434167 Phe251: 0.772786 Tyr252: -0.0481189 Ala255: -0.636491 Phe257: -0 Met258: -0.0868761 Tyr259: -0.255313 Tyr278: 4.08989 Total ionic: -0 Total H-bond: -0.17982 Total pi stack: -0.00174763 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -6.62638 Total: 5.53284 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 84.8661 Proximity: 3.53261 Protein clashes: -2.66602 # van der Waals repulsion vdWRPL: Phe73: 0.367148 Ala104: 0.00462888 Met107: 0.0177344 Gly108: 1.45921 Gly109: 0.019889 Glu111: 0.0093565 Asp112: 0.119966 Phe206: 1.54972 Leu207: 2.01655 Phe251: 2.1035 Ala255: 0.00925624 Tyr259: 0.0239997 Tyr278: 1.9195 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 1.982 3.401 4.545 1.00001.00 O HETATM 9001 O2 LIG 0 2.828 2.283 2.709 1.00001.00 O HETATM 9002 C3 LIG 0 4.516 4.207 7.240 1.00001.00 C HETATM 9003 C4 LIG 0 3.182 4.146 6.479 1.00001.00 C HETATM 9004 C5 LIG 0 3.279 3.450 5.127 1.00001.00 C HETATM 9005 C6 LIG 0 4.406 5.196 8.404 1.00001.00 C HETATM 9006 C7 LIG 0 4.950 2.838 7.766 1.00001.00 C HETATM 9007 C8 LIG 0 1.899 2.785 3.327 1.00001.00 C HETATM 9008 C9 LIG 0 0.482 2.808 2.840 1.00001.00 C HETATM 9009 H10 LIG 0 5.284 4.569 6.546 1.00001.00 H HETATM 9010 H11 LIG 0 2.793 5.162 6.335 1.00001.00 H HETATM 9011 H12 LIG 0 2.430 3.633 7.091 1.00001.00 H HETATM 9012 H13 LIG 0 3.945 4.000 4.454 1.00001.00 H HETATM 9013 H14 LIG 0 3.644 2.424 5.240 1.00001.00 H HETATM 9014 H15 LIG 0 5.396 5.375 8.838 1.00001.00 H HETATM 9015 H16 LIG 0 3.765 4.824 9.210 1.00001.00 H HETATM 9016 H17 LIG 0 4.016 6.161 8.066 1.00001.00 H HETATM 9017 H18 LIG 0 4.281 2.461 8.545 1.00001.00 H HETATM 9018 H19 LIG 0 5.955 2.898 8.198 1.00001.00 H HETATM 9019 H20 LIG 0 4.980 2.103 6.955 1.00001.00 H HETATM 9020 H21 LIG 0 0.049 3.797 3.008 1.00001.00 H HETATM 9021 H22 LIG 0 -0.099 2.040 3.356 1.00001.00 H HETATM 9022 H23 LIG 0 0.464 2.597 1.767 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.347 1.751 -1.316 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.903 1.822 0.374 1.00001.00 H ATOM 1149 CG PHE 73 -3.504 3.326 -0.169 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.216 2.943 -0.586 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.092 2.060 -1.212 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.657 4.499 0.608 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.656 4.814 0.914 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.095 3.693 -0.199 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.100 3.388 -0.522 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.538 5.254 0.985 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.662 6.163 1.572 1.00001.00 H ATOM 1158 CZ PHE 73 -1.253 4.835 0.604 1.00001.00 C ATOM 1159 HZ PHE 73 -0.378 5.397 0.930 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.937 13.215 6.300 1.00001.00 H ATOM 1576 HB2 MET 101 -4.965 13.689 4.886 1.00001.00 H ATOM 1577 CG MET 101 -3.827 12.870 6.514 1.00001.00 C ATOM 1578 HG1 MET 101 -3.035 12.436 5.905 1.00001.00 H ATOM 1579 HG2 MET 101 -4.026 12.222 7.367 1.00001.00 H ATOM 1580 SD MET 101 -3.242 14.467 7.145 1.00001.00 S ATOM 1581 CE MET 101 -1.939 13.881 8.247 1.00001.00 C ATOM 1582 HE1 MET 101 -1.058 13.618 7.661 1.00001.00 H ATOM 1583 HE2 MET 101 -2.288 13.003 8.789 1.00001.00 H ATOM 1584 HE3 MET 101 -1.681 14.669 8.955 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.300 9.915 7.383 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.549 10.684 8.803 1.00001.00 H ATOM 1594 CG PHE 102 -9.161 8.668 9.103 1.00001.00 C ATOM 1595 CD1 PHE 102 -10.122 7.770 8.603 1.00001.00 C ATOM 1596 HD1 PHE 102 -10.517 7.902 7.596 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.654 8.497 10.403 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.911 9.193 10.796 1.00001.00 H ATOM 1599 CE1 PHE 102 -10.574 6.702 9.400 1.00001.00 C ATOM 1600 HE1 PHE 102 -11.318 6.006 9.012 1.00001.00 H ATOM 1601 CE2 PHE 102 -9.106 7.431 11.199 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.711 7.301 12.206 1.00001.00 H ATOM 1603 CZ PHE 102 -10.062 6.532 10.698 1.00001.00 C ATOM 1604 HZ PHE 102 -10.408 5.702 11.315 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.734 7.760 2.611 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.649 8.810 3.718 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.375 8.294 2.177 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.374 7.447 9.156 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.903 7.961 8.402 1.00001.00 H ATOM 1643 CG LEU 105 -2.192 9.111 7.819 1.00001.00 C ATOM 1644 HG LEU 105 -2.485 9.363 6.801 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.668 10.203 8.776 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.368 11.179 8.394 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.221 10.046 9.758 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.754 10.164 8.863 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.665 9.050 7.873 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.348 8.744 8.871 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.253 10.033 7.647 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.304 8.327 7.142 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.266 1.112 3.132 1.00001.00 H ATOM 1675 HB2 MET 107 -4.074 2.860 3.417 1.00001.00 H ATOM 1676 CG MET 107 -6.100 2.166 3.471 1.00001.00 C ATOM 1677 HG1 MET 107 -6.230 2.341 2.404 1.00001.00 H ATOM 1678 HG2 MET 107 -6.411 3.051 4.026 1.00001.00 H ATOM 1679 SD MET 107 -7.201 0.806 3.943 1.00001.00 S ATOM 1680 CE MET 107 -8.727 1.447 3.214 1.00001.00 C ATOM 1681 HE1 MET 107 -9.102 2.272 3.820 1.00001.00 H ATOM 1682 HE2 MET 107 -9.475 0.654 3.179 1.00001.00 H ATOM 1683 HE3 MET 107 -8.527 1.801 2.203 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.187 -1.065 4.923 1.00001.00 H ATOM 1716 HB2 GLU 111 -1.238 -1.882 4.239 1.00001.00 H ATOM 1717 CG GLU 111 0.643 -2.804 3.736 1.00001.00 C ATOM 1718 HG1 GLU 111 0.513 -3.872 3.921 1.00001.00 H ATOM 1719 HG2 GLU 111 1.676 -2.524 3.940 1.00001.00 H ATOM 1720 CD GLU 111 0.354 -2.536 2.249 1.00001.00 C ATOM 1721 OE1 GLU 111 1.299 -2.064 1.568 1.00001.00 O ATOM 1722 OE2 GLU 111 -0.801 -2.747 1.813 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.497 -0.901 9.702 1.00001.00 H ATOM 1731 HB2 ASP 112 2.981 -0.195 8.142 1.00001.00 H ATOM 1732 CG ASP 112 4.591 -1.059 9.266 1.00001.00 C ATOM 1733 OD1 ASP 112 5.447 -0.657 8.451 1.00001.00 O ATOM 1734 OD2 ASP 112 4.874 -1.518 10.393 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 0.592 10.438 12.153 1.00001.00 H ATOM 2482 HB2 TYR 159 0.417 9.150 13.370 1.00001.00 H ATOM 2483 CG TYR 159 2.341 10.031 13.278 1.00001.00 C ATOM 2484 CD1 TYR 159 3.149 10.257 12.144 1.00001.00 C ATOM 2485 HD1 TYR 159 2.693 10.536 11.195 1.00001.00 H ATOM 2486 CD2 TYR 159 2.926 9.659 14.502 1.00001.00 C ATOM 2487 HD2 TYR 159 2.293 9.480 15.373 1.00001.00 H ATOM 2488 CE1 TYR 159 4.545 10.119 12.243 1.00001.00 C ATOM 2489 HE1 TYR 159 5.180 10.304 11.376 1.00001.00 H ATOM 2490 CE2 TYR 159 4.318 9.517 14.606 1.00001.00 C ATOM 2491 HE2 TYR 159 4.776 9.235 15.553 1.00001.00 H ATOM 2492 CZ TYR 159 5.123 9.739 13.473 1.00001.00 C ATOM 2493 OH TYR 159 6.457 9.557 13.572 1.00001.00 O ATOM 2494 HH TYR 159 7.023 9.687 12.793 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.792 14.552 2.232 1.00001.00 H ATOM 2841 HB2 GLU 180 0.304 13.933 1.478 1.00001.00 H ATOM 2842 CG GLU 180 1.356 12.493 2.682 1.00001.00 C ATOM 2843 HG1 GLU 180 1.570 11.990 1.739 1.00001.00 H ATOM 2844 HG2 GLU 180 0.542 11.977 3.192 1.00001.00 H ATOM 2845 CD GLU 180 2.604 12.426 3.564 1.00001.00 C ATOM 2846 OE1 GLU 180 2.457 11.881 4.672 1.00001.00 O ATOM 2847 OE2 GLU 180 3.696 12.872 3.145 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.871 13.665 7.736 1.00001.00 H ATOM 2856 CG1 ILE 181 0.888 13.412 8.545 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.369 13.076 7.648 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.209 14.003 9.159 1.00001.00 H ATOM 2859 CG2 ILE 181 2.661 15.027 9.348 1.00001.00 C ATOM 2860 1HG2 ILE 181 1.908 15.689 9.773 1.00001.00 H ATOM 2861 2HG2 ILE 181 3.529 15.614 9.043 1.00001.00 H ATOM 2862 3HG2 ILE 181 2.965 14.292 10.095 1.00001.00 H ATOM 2863 CD1 ILE 181 1.331 12.181 9.346 1.00001.00 C ATOM 2864 HD1 ILE 181 1.733 12.498 10.307 1.00001.00 H ATOM 2865 HD2 ILE 181 2.101 11.644 8.791 1.00001.00 H ATOM 2866 HD3 ILE 181 0.476 11.526 9.508 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.681 19.651 1.493 1.00001.00 H ATOM 2889 HB2 HIS 183 1.742 18.388 2.324 1.00001.00 H ATOM 2890 CG HIS 183 3.587 17.731 1.506 1.00001.00 C ATOM 2891 CD2 HIS 183 3.346 16.384 1.480 1.00001.00 C ATOM 2892 HD2 HIS 183 2.526 15.774 1.859 1.00001.00 H ATOM 2893 ND1 HIS 183 4.775 17.946 0.841 1.00001.00 N ATOM 2894 CE1 HIS 183 5.247 16.753 0.438 1.00001.00 C ATOM 2895 HE1 HIS 183 6.154 16.506 -0.115 1.00001.00 H ATOM 2896 NE2 HIS 183 4.413 15.783 0.818 1.00001.00 N ATOM 2897 HE2 HIS 183 4.439 14.789 0.710 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.442 12.264 12.716 1.00001.00 H ATOM 3161 HB2 TYR 200 11.970 12.707 11.057 1.00001.00 H ATOM 3162 CG TYR 200 13.389 11.125 11.186 1.00001.00 C ATOM 3163 CD1 TYR 200 14.339 10.562 12.062 1.00001.00 C ATOM 3164 HD1 TYR 200 14.232 10.690 13.139 1.00001.00 H ATOM 3165 CD2 TYR 200 13.533 10.971 9.798 1.00001.00 C ATOM 3166 HD2 TYR 200 12.790 11.396 9.123 1.00001.00 H ATOM 3167 CE1 TYR 200 15.428 9.834 11.544 1.00001.00 C ATOM 3168 HE1 TYR 200 16.156 9.383 12.219 1.00001.00 H ATOM 3169 CE2 TYR 200 14.633 10.271 9.279 1.00001.00 C ATOM 3170 HE2 TYR 200 14.757 10.176 8.200 1.00001.00 H ATOM 3171 CZ TYR 200 15.575 9.689 10.148 1.00001.00 C ATOM 3172 OH TYR 200 16.633 9.006 9.638 1.00001.00 O ATOM 3173 HH TYR 200 17.293 8.616 10.233 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.176 7.475 15.663 1.00001.00 H ATOM 3198 HB2 MET 202 6.894 8.983 15.047 1.00001.00 H ATOM 3199 CG MET 202 7.242 8.616 17.126 1.00001.00 C ATOM 3200 HG1 MET 202 6.446 9.322 17.354 1.00001.00 H ATOM 3201 HG2 MET 202 8.207 9.119 17.194 1.00001.00 H ATOM 3202 SD MET 202 7.201 7.286 18.355 1.00001.00 S ATOM 3203 CE MET 202 7.687 8.229 19.817 1.00001.00 C ATOM 3204 HE1 MET 202 7.803 7.552 20.664 1.00001.00 H ATOM 3205 HE2 MET 202 6.918 8.967 20.046 1.00001.00 H ATOM 3206 HE3 MET 202 8.631 8.737 19.626 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.296 3.669 11.307 1.00001.00 H ATOM 3252 HB2 PHE 206 5.744 3.674 12.999 1.00001.00 H ATOM 3253 CG PHE 206 4.611 2.433 11.697 1.00001.00 C ATOM 3254 CD1 PHE 206 4.389 2.102 10.347 1.00001.00 C ATOM 3255 HD1 PHE 206 5.164 2.291 9.605 1.00001.00 H ATOM 3256 CD2 PHE 206 3.607 2.180 12.652 1.00001.00 C ATOM 3257 HD2 PHE 206 3.782 2.426 13.700 1.00001.00 H ATOM 3258 CE1 PHE 206 3.169 1.526 9.956 1.00001.00 C ATOM 3259 HE1 PHE 206 3.006 1.262 8.912 1.00001.00 H ATOM 3260 CE2 PHE 206 2.382 1.612 12.257 1.00001.00 C ATOM 3261 HE2 PHE 206 1.605 1.420 12.996 1.00001.00 H ATOM 3262 CZ PHE 206 2.162 1.292 10.905 1.00001.00 C ATOM 3263 HZ PHE 206 1.209 0.863 10.595 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.761 1.645 7.358 1.00001.00 H ATOM 3272 HB2 LEU 207 10.076 2.691 8.763 1.00001.00 H ATOM 3273 CG LEU 207 8.297 3.183 7.670 1.00001.00 C ATOM 3274 HG LEU 207 7.718 3.592 8.498 1.00001.00 H ATOM 3275 CD1 LEU 207 9.054 4.314 6.967 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.660 4.852 7.695 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.340 4.999 6.511 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.699 3.894 6.196 1.00001.00 H ATOM 3279 CD2 LEU 207 7.321 2.565 6.670 1.00001.00 C ATOM 3280 1HD2 LEU 207 6.873 1.671 7.103 1.00001.00 H ATOM 3281 2HD2 LEU 207 7.855 2.300 5.757 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.536 3.287 6.434 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.097 0.499 -4.443 1.00001.00 H ATOM 3935 HB2 MET 250 8.162 -1.206 -3.935 1.00001.00 H ATOM 3936 CG MET 250 9.302 -0.759 -5.701 1.00001.00 C ATOM 3937 HG1 MET 250 8.631 -1.498 -6.139 1.00001.00 H ATOM 3938 HG2 MET 250 10.285 -1.205 -5.550 1.00001.00 H ATOM 3939 SD MET 250 9.484 0.606 -6.890 1.00001.00 S ATOM 3940 CE MET 250 7.785 1.230 -6.976 1.00001.00 C ATOM 3941 HE1 MET 250 7.095 0.394 -7.086 1.00001.00 H ATOM 3942 HE2 MET 250 7.687 1.897 -7.834 1.00001.00 H ATOM 3943 HE3 MET 250 7.553 1.777 -6.064 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.047 -1.673 1.096 1.00001.00 H ATOM 3952 HB2 PHE 251 6.683 -1.476 -0.030 1.00001.00 H ATOM 3953 CG PHE 251 6.404 -0.564 1.875 1.00001.00 C ATOM 3954 CD1 PHE 251 6.903 -0.539 3.194 1.00001.00 C ATOM 3955 HD1 PHE 251 7.926 -0.860 3.392 1.00001.00 H ATOM 3956 CD2 PHE 251 5.078 -0.169 1.623 1.00001.00 C ATOM 3957 HD2 PHE 251 4.687 -0.198 0.606 1.00001.00 H ATOM 3958 CE1 PHE 251 6.085 -0.103 4.249 1.00001.00 C ATOM 3959 HE1 PHE 251 6.470 -0.084 5.269 1.00001.00 H ATOM 3960 CE2 PHE 251 4.260 0.263 2.679 1.00001.00 C ATOM 3961 HE2 PHE 251 3.230 0.562 2.484 1.00001.00 H ATOM 3962 CZ PHE 251 4.768 0.308 3.988 1.00001.00 C ATOM 3963 HZ PHE 251 4.140 0.665 4.804 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.918 -0.067 3.180 1.00001.00 H ATOM 3972 HB2 TYR 252 12.145 -1.196 2.042 1.00001.00 H ATOM 3973 CG TYR 252 11.365 -1.253 4.017 1.00001.00 C ATOM 3974 CD1 TYR 252 11.724 -0.905 5.336 1.00001.00 C ATOM 3975 HD1 TYR 252 12.430 -0.095 5.517 1.00001.00 H ATOM 3976 CD2 TYR 252 10.430 -2.276 3.782 1.00001.00 C ATOM 3977 HD2 TYR 252 10.142 -2.527 2.761 1.00001.00 H ATOM 3978 CE1 TYR 252 11.166 -1.608 6.420 1.00001.00 C ATOM 3979 HE1 TYR 252 11.438 -1.348 7.442 1.00001.00 H ATOM 3980 CE2 TYR 252 9.867 -2.975 4.863 1.00001.00 C ATOM 3981 HE2 TYR 252 9.138 -3.765 4.686 1.00001.00 H ATOM 3982 CZ TYR 252 10.251 -2.651 6.178 1.00001.00 C ATOM 3983 OH TYR 252 9.741 -3.351 7.212 1.00001.00 O ATOM 3984 HH TYR 252 9.112 -4.070 7.047 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 7.954 4.384 -0.045 1.00001.00 H ATOM 4000 HB2 ALA 254 8.630 4.601 -1.677 1.00001.00 H ATOM 4001 HB3 ALA 254 7.959 5.996 -0.800 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 10.022 3.198 4.771 1.00001.00 H ATOM 4010 HB2 ALA 255 8.587 3.046 3.727 1.00001.00 H ATOM 4011 HB3 ALA 255 8.472 3.907 5.282 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.694 8.586 0.478 1.00001.00 H ATOM 4034 HB2 PHE 257 13.319 7.969 0.096 1.00001.00 H ATOM 4035 CG PHE 257 13.105 10.081 -0.083 1.00001.00 C ATOM 4036 CD1 PHE 257 12.210 11.167 -0.019 1.00001.00 C ATOM 4037 HD1 PHE 257 11.252 11.050 0.487 1.00001.00 H ATOM 4038 CD2 PHE 257 14.348 10.238 -0.724 1.00001.00 C ATOM 4039 HD2 PHE 257 15.045 9.401 -0.766 1.00001.00 H ATOM 4040 CE1 PHE 257 12.551 12.399 -0.605 1.00001.00 C ATOM 4041 HE1 PHE 257 11.854 13.235 -0.562 1.00001.00 H ATOM 4042 CE2 PHE 257 14.691 11.469 -1.306 1.00001.00 C ATOM 4043 HE2 PHE 257 15.654 11.589 -1.803 1.00001.00 H ATOM 4044 CZ PHE 257 13.793 12.548 -1.247 1.00001.00 C ATOM 4045 HZ PHE 257 14.058 13.505 -1.699 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.050 10.265 4.332 1.00001.00 H ATOM 4054 HB2 MET 258 8.631 8.619 3.984 1.00001.00 H ATOM 4055 CG MET 258 8.277 9.824 2.245 1.00001.00 C ATOM 4056 HG1 MET 258 7.278 9.397 2.147 1.00001.00 H ATOM 4057 HG2 MET 258 8.975 9.259 1.626 1.00001.00 H ATOM 4058 SD MET 258 8.218 11.525 1.605 1.00001.00 S ATOM 4059 CE MET 258 6.739 12.166 2.448 1.00001.00 C ATOM 4060 HE1 MET 258 5.849 11.691 2.033 1.00001.00 H ATOM 4061 HE2 MET 258 6.675 13.245 2.302 1.00001.00 H ATOM 4062 HE3 MET 258 6.804 11.946 3.514 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.264 7.630 9.161 1.00001.00 H ATOM 4071 HB2 TYR 259 9.971 7.121 7.481 1.00001.00 H ATOM 4072 CG TYR 259 8.478 8.390 8.302 1.00001.00 C ATOM 4073 CD1 TYR 259 7.867 8.465 9.569 1.00001.00 C ATOM 4074 HD1 TYR 259 8.429 8.198 10.464 1.00001.00 H ATOM 4075 CD2 TYR 259 7.751 8.727 7.145 1.00001.00 C ATOM 4076 HD2 TYR 259 8.235 8.692 6.169 1.00001.00 H ATOM 4077 CE1 TYR 259 6.526 8.884 9.679 1.00001.00 C ATOM 4078 HE1 TYR 259 6.056 8.973 10.659 1.00001.00 H ATOM 4079 CE2 TYR 259 6.404 9.109 7.248 1.00001.00 C ATOM 4080 HE2 TYR 259 5.832 9.342 6.351 1.00001.00 H ATOM 4081 CZ TYR 259 5.793 9.189 8.512 1.00001.00 C ATOM 4082 OH TYR 259 4.505 9.595 8.589 1.00001.00 O ATOM 4083 HH TYR 259 4.013 9.800 7.779 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 5.882 4.911 -4.127 1.00001.00 H ATOM 4377 HB2 TYR 278 6.401 3.212 -4.023 1.00001.00 H ATOM 4378 CG TYR 278 4.754 3.717 -2.788 1.00001.00 C ATOM 4379 CD1 TYR 278 4.072 4.812 -2.220 1.00001.00 C ATOM 4380 HD1 TYR 278 4.079 5.772 -2.734 1.00001.00 H ATOM 4381 CD2 TYR 278 4.774 2.488 -2.105 1.00001.00 C ATOM 4382 HD2 TYR 278 5.362 1.656 -2.494 1.00001.00 H ATOM 4383 CE1 TYR 278 3.385 4.673 -0.993 1.00001.00 C ATOM 4384 HE1 TYR 278 2.905 5.536 -0.530 1.00001.00 H ATOM 4385 CE2 TYR 278 4.035 2.332 -0.920 1.00001.00 C ATOM 4386 HE2 TYR 278 4.021 1.361 -0.426 1.00001.00 H ATOM 4387 CZ TYR 278 3.320 3.410 -0.370 1.00001.00 C ATOM 4388 OH TYR 278 2.544 3.177 0.724 1.00001.00 O ATOM 4389 HH TYR 278 2.011 3.895 1.100 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 7 Node: 0 # Binding energies BENERG: Phe73: -0.334324 Met101: -0 Phe102: -0 Leu105: 0.222 Thr106: -0.0256044 Met107: 0.94622 Gly108: 0.464399 Gly109: -0.835996 Glu111: 0.995737 Asp112: -0.454132 Leu113: -0.0224321 Leu115: -0.0317231 Tyr159: -0.0875279 Glu180: 0.273721 Ile181: -0.0559505 Tyr200: -0.0201832 Met202: -0.0315592 Phe206: 1.49788 Leu207: -0.553979 Leu211: -0.0098364 Met250: -0 Phe251: 0.557392 Tyr252: -0.0438401 Ala255: -0.717963 Phe257: -0 Met258: -0.211918 Tyr259: 4.40939 Tyr278: 0.309101 Total ionic: -0 Total H-bond: -0.0529965 Total pi stack: -0.00430488 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -6.64065 Total: 6.23887 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 95.0795 Proximity: 2.78339 Protein clashes: 12.8768 # van der Waals repulsion vdWRPL: Phe73: 0.410234 Gly108: 0.168796 Gly109: 0.00409657 Asp112: 0.0375002 Phe206: 1.64358 Leu207: 1.40578 Phe251: 0.569908 Ala255: 0.0208547 Tyr259: 1.69586 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 2.820 4.835 4.373 1.00001.00 O HETATM 9001 O2 LIG 0 2.790 2.973 3.005 1.00001.00 O HETATM 9002 C3 LIG 0 4.828 4.615 7.468 1.00001.00 C HETATM 9003 C4 LIG 0 3.581 4.966 6.640 1.00001.00 C HETATM 9004 C5 LIG 0 3.372 4.061 5.431 1.00001.00 C HETATM 9005 C6 LIG 0 5.154 5.762 8.427 1.00001.00 C HETATM 9006 C7 LIG 0 4.658 3.315 8.255 1.00001.00 C HETATM 9007 C8 LIG 0 2.577 4.161 3.208 1.00001.00 C HETATM 9008 C9 LIG 0 1.999 5.097 2.190 1.00001.00 C HETATM 9009 H10 LIG 0 5.668 4.491 6.773 1.00001.00 H HETATM 9010 H11 LIG 0 3.642 6.009 6.304 1.00001.00 H HETATM 9011 H12 LIG 0 2.688 4.920 7.278 1.00001.00 H HETATM 9012 H13 LIG 0 4.324 3.636 5.096 1.00001.00 H HETATM 9013 H14 LIG 0 2.675 3.251 5.665 1.00001.00 H HETATM 9014 H15 LIG 0 6.134 5.596 8.889 1.00001.00 H HETATM 9015 H16 LIG 0 4.427 5.847 9.241 1.00001.00 H HETATM 9016 H17 LIG 0 5.198 6.720 7.898 1.00001.00 H HETATM 9017 H18 LIG 0 3.902 3.402 9.042 1.00001.00 H HETATM 9018 H19 LIG 0 5.601 3.037 8.737 1.00001.00 H HETATM 9019 H20 LIG 0 4.368 2.494 7.591 1.00001.00 H HETATM 9020 H21 LIG 0 1.163 5.649 2.626 1.00001.00 H HETATM 9021 H22 LIG 0 1.673 4.533 1.312 1.00001.00 H HETATM 9022 H23 LIG 0 2.766 5.812 1.879 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.379 1.708 -1.291 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.889 1.869 0.407 1.00001.00 H ATOM 1149 CG PHE 73 -3.481 3.321 -0.242 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.295 2.735 0.236 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.223 1.651 0.319 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.547 4.727 -0.385 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.456 5.185 -0.778 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.207 3.542 0.606 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.292 3.082 0.980 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.457 5.531 -0.027 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.508 6.612 -0.151 1.00001.00 H ATOM 1158 CZ PHE 73 -1.295 4.940 0.496 1.00001.00 C ATOM 1159 HZ PHE 73 -0.461 5.565 0.814 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.948 13.227 6.280 1.00001.00 H ATOM 1576 HB2 MET 101 -4.940 13.683 4.885 1.00001.00 H ATOM 1577 CG MET 101 -3.847 12.861 6.542 1.00001.00 C ATOM 1578 HG1 MET 101 -3.029 12.476 5.933 1.00001.00 H ATOM 1579 HG2 MET 101 -4.049 12.168 7.358 1.00001.00 H ATOM 1580 SD MET 101 -3.318 14.440 7.261 1.00001.00 S ATOM 1581 CE MET 101 -4.877 14.951 8.012 1.00001.00 C ATOM 1582 HE1 MET 101 -4.704 15.811 8.660 1.00001.00 H ATOM 1583 HE2 MET 101 -5.284 14.130 8.601 1.00001.00 H ATOM 1584 HE3 MET 101 -5.585 15.224 7.229 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.285 9.981 7.385 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.535 10.646 8.857 1.00001.00 H ATOM 1594 CG PHE 102 -9.199 8.631 9.029 1.00001.00 C ATOM 1595 CD1 PHE 102 -10.200 7.810 8.477 1.00001.00 C ATOM 1596 HD1 PHE 102 -10.597 8.029 7.486 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.690 8.349 10.309 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.917 8.984 10.742 1.00001.00 H ATOM 1599 CE1 PHE 102 -10.690 6.708 9.202 1.00001.00 C ATOM 1600 HE1 PHE 102 -11.465 6.072 8.773 1.00001.00 H ATOM 1601 CE2 PHE 102 -9.180 7.248 11.032 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.784 7.032 12.024 1.00001.00 H ATOM 1603 CZ PHE 102 -10.176 6.426 10.479 1.00001.00 C ATOM 1604 HZ PHE 102 -10.551 5.570 11.040 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.664 7.836 2.805 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.849 8.864 3.645 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.245 8.164 2.056 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.451 7.416 9.180 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.900 8.019 8.339 1.00001.00 H ATOM 1643 CG LEU 105 -2.095 9.075 7.871 1.00001.00 C ATOM 1644 HG LEU 105 -2.342 9.370 6.852 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.526 10.173 8.843 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.152 11.135 8.494 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.118 9.963 9.832 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.614 10.203 8.899 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.577 8.912 7.964 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.277 8.901 9.012 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.090 9.742 7.455 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.283 7.974 7.494 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.217 1.138 3.125 1.00001.00 H ATOM 1675 HB2 MET 107 -4.118 2.890 3.433 1.00001.00 H ATOM 1676 CG MET 107 -6.106 2.091 3.459 1.00001.00 C ATOM 1677 HG1 MET 107 -6.227 2.456 2.439 1.00001.00 H ATOM 1678 HG2 MET 107 -6.504 2.827 4.158 1.00001.00 H ATOM 1679 SD MET 107 -7.097 0.583 3.624 1.00001.00 S ATOM 1680 CE MET 107 -8.556 1.133 2.706 1.00001.00 C ATOM 1681 HE1 MET 107 -9.121 1.842 3.311 1.00001.00 H ATOM 1682 HE2 MET 107 -9.184 0.272 2.473 1.00001.00 H ATOM 1683 HE3 MET 107 -8.242 1.614 1.780 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.185 -1.064 4.923 1.00001.00 H ATOM 1716 HB2 GLU 111 -1.238 -1.884 4.238 1.00001.00 H ATOM 1717 CG GLU 111 0.645 -2.803 3.737 1.00001.00 C ATOM 1718 HG1 GLU 111 0.259 -3.819 3.640 1.00001.00 H ATOM 1719 HG2 GLU 111 1.648 -2.835 4.163 1.00001.00 H ATOM 1720 CD GLU 111 0.737 -2.187 2.330 1.00001.00 C ATOM 1721 OE1 GLU 111 1.442 -2.803 1.491 1.00001.00 O ATOM 1722 OE2 GLU 111 0.160 -1.098 2.112 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.321 -0.735 9.491 1.00001.00 H ATOM 1731 HB2 ASP 112 3.291 -0.251 8.080 1.00001.00 H ATOM 1732 CG ASP 112 4.407 -1.210 9.641 1.00001.00 C ATOM 1733 OD1 ASP 112 5.429 -1.594 9.035 1.00001.00 O ATOM 1734 OD2 ASP 112 4.370 -1.010 10.874 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 1.802 10.543 12.865 1.00001.00 H ATOM 2482 HB2 TYR 159 0.192 10.034 12.300 1.00001.00 H ATOM 2483 CG TYR 159 1.074 8.756 13.741 1.00001.00 C ATOM 2484 CD1 TYR 159 1.793 8.599 14.944 1.00001.00 C ATOM 2485 HD1 TYR 159 2.156 9.474 15.482 1.00001.00 H ATOM 2486 CD2 TYR 159 0.615 7.628 13.037 1.00001.00 C ATOM 2487 HD2 TYR 159 0.065 7.758 12.104 1.00001.00 H ATOM 2488 CE1 TYR 159 2.043 7.308 15.445 1.00001.00 C ATOM 2489 HE1 TYR 159 2.586 7.176 16.381 1.00001.00 H ATOM 2490 CE2 TYR 159 0.864 6.338 13.531 1.00001.00 C ATOM 2491 HE2 TYR 159 0.505 5.461 12.993 1.00001.00 H ATOM 2492 CZ TYR 159 1.584 6.182 14.730 1.00001.00 C ATOM 2493 OH TYR 159 1.856 4.936 15.173 1.00001.00 O ATOM 2494 HH TYR 159 2.370 4.813 15.988 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.787 14.557 2.226 1.00001.00 H ATOM 2841 HB2 GLU 180 0.301 13.924 1.480 1.00001.00 H ATOM 2842 CG GLU 180 1.367 12.498 2.688 1.00001.00 C ATOM 2843 HG1 GLU 180 1.582 11.992 1.746 1.00001.00 H ATOM 2844 HG2 GLU 180 0.558 11.978 3.203 1.00001.00 H ATOM 2845 CD GLU 180 2.618 12.444 3.566 1.00001.00 C ATOM 2846 OE1 GLU 180 2.479 11.903 4.677 1.00001.00 O ATOM 2847 OE2 GLU 180 3.706 12.895 3.141 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.881 13.674 7.741 1.00001.00 H ATOM 2856 CG1 ILE 181 0.893 13.399 8.531 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.437 12.993 7.628 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.162 14.002 9.068 1.00001.00 H ATOM 2859 CG2 ILE 181 2.643 15.028 9.356 1.00001.00 C ATOM 2860 1HG2 ILE 181 1.860 15.630 9.816 1.00001.00 H ATOM 2861 2HG2 ILE 181 3.466 15.676 9.050 1.00001.00 H ATOM 2862 3HG2 ILE 181 3.008 14.294 10.075 1.00001.00 H ATOM 2863 CD1 ILE 181 1.325 12.234 9.430 1.00001.00 C ATOM 2864 HD1 ILE 181 1.702 12.624 10.375 1.00001.00 H ATOM 2865 HD2 ILE 181 2.112 11.664 8.935 1.00001.00 H ATOM 2866 HD3 ILE 181 0.471 11.585 9.619 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.795 19.621 1.455 1.00001.00 H ATOM 2889 HB2 HIS 183 1.700 18.502 2.303 1.00001.00 H ATOM 2890 CG HIS 183 3.492 17.619 1.585 1.00001.00 C ATOM 2891 CD2 HIS 183 3.108 16.305 1.604 1.00001.00 C ATOM 2892 HD2 HIS 183 2.215 15.803 1.974 1.00001.00 H ATOM 2893 ND1 HIS 183 4.719 17.677 0.960 1.00001.00 N ATOM 2894 CE1 HIS 183 5.074 16.424 0.626 1.00001.00 C ATOM 2895 HE1 HIS 183 5.969 16.058 0.121 1.00001.00 H ATOM 2896 NE2 HIS 183 4.128 15.566 1.011 1.00001.00 N ATOM 2897 HE2 HIS 183 4.051 14.570 0.945 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.442 12.264 12.716 1.00001.00 H ATOM 3161 HB2 TYR 200 11.970 12.707 11.057 1.00001.00 H ATOM 3162 CG TYR 200 13.389 11.125 11.186 1.00001.00 C ATOM 3163 CD1 TYR 200 14.339 10.562 12.062 1.00001.00 C ATOM 3164 HD1 TYR 200 14.232 10.690 13.139 1.00001.00 H ATOM 3165 CD2 TYR 200 13.533 10.971 9.798 1.00001.00 C ATOM 3166 HD2 TYR 200 12.790 11.396 9.123 1.00001.00 H ATOM 3167 CE1 TYR 200 15.428 9.834 11.544 1.00001.00 C ATOM 3168 HE1 TYR 200 16.156 9.383 12.219 1.00001.00 H ATOM 3169 CE2 TYR 200 14.633 10.271 9.279 1.00001.00 C ATOM 3170 HE2 TYR 200 14.757 10.176 8.200 1.00001.00 H ATOM 3171 CZ TYR 200 15.575 9.689 10.148 1.00001.00 C ATOM 3172 OH TYR 200 16.633 9.006 9.638 1.00001.00 O ATOM 3173 HH TYR 200 17.293 8.616 10.233 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.164 7.497 15.603 1.00001.00 H ATOM 3198 HB2 MET 202 6.934 9.017 15.086 1.00001.00 H ATOM 3199 CG MET 202 7.205 8.540 17.154 1.00001.00 C ATOM 3200 HG1 MET 202 6.412 9.246 17.394 1.00001.00 H ATOM 3201 HG2 MET 202 8.174 9.025 17.277 1.00001.00 H ATOM 3202 SD MET 202 7.108 7.151 18.312 1.00001.00 S ATOM 3203 CE MET 202 7.730 7.969 19.798 1.00001.00 C ATOM 3204 HE1 MET 202 7.525 7.346 20.669 1.00001.00 H ATOM 3205 HE2 MET 202 7.235 8.933 19.917 1.00001.00 H ATOM 3206 HE3 MET 202 8.805 8.123 19.706 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.288 3.656 11.294 1.00001.00 H ATOM 3252 HB2 PHE 206 5.758 3.687 12.993 1.00001.00 H ATOM 3253 CG PHE 206 4.603 2.433 11.723 1.00001.00 C ATOM 3254 CD1 PHE 206 4.372 2.058 10.386 1.00001.00 C ATOM 3255 HD1 PHE 206 5.147 2.212 9.635 1.00001.00 H ATOM 3256 CD2 PHE 206 3.599 2.225 12.689 1.00001.00 C ATOM 3257 HD2 PHE 206 3.780 2.506 13.727 1.00001.00 H ATOM 3258 CE1 PHE 206 3.145 1.482 10.019 1.00001.00 C ATOM 3259 HE1 PHE 206 2.975 1.183 8.985 1.00001.00 H ATOM 3260 CE2 PHE 206 2.367 1.658 12.318 1.00001.00 C ATOM 3261 HE2 PHE 206 1.590 1.500 13.066 1.00001.00 H ATOM 3262 CZ PHE 206 2.138 1.293 10.979 1.00001.00 C ATOM 3263 HZ PHE 206 1.179 0.864 10.687 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.790 1.644 7.375 1.00001.00 H ATOM 3272 HB2 LEU 207 10.052 2.713 8.773 1.00001.00 H ATOM 3273 CG LEU 207 8.289 3.156 7.634 1.00001.00 C ATOM 3274 HG LEU 207 7.676 3.555 8.442 1.00001.00 H ATOM 3275 CD1 LEU 207 9.040 4.301 6.948 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.628 4.845 7.688 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.324 4.979 6.485 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.703 3.895 6.185 1.00001.00 H ATOM 3279 CD2 LEU 207 7.359 2.510 6.609 1.00001.00 C ATOM 3280 1HD2 LEU 207 6.788 1.714 7.085 1.00001.00 H ATOM 3281 2HD2 LEU 207 7.951 2.096 5.792 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.674 3.264 6.215 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.086 0.492 -4.429 1.00001.00 H ATOM 3935 HB2 MET 250 8.174 -1.218 -3.944 1.00001.00 H ATOM 3936 CG MET 250 9.301 -0.735 -5.708 1.00001.00 C ATOM 3937 HG1 MET 250 9.889 -1.647 -5.603 1.00001.00 H ATOM 3938 HG2 MET 250 9.948 0.080 -6.034 1.00001.00 H ATOM 3939 SD MET 250 8.059 -1.015 -7.007 1.00001.00 S ATOM 3940 CE MET 250 7.117 -2.396 -6.305 1.00001.00 C ATOM 3941 HE1 MET 250 6.593 -2.061 -5.410 1.00001.00 H ATOM 3942 HE2 MET 250 7.800 -3.205 -6.045 1.00001.00 H ATOM 3943 HE3 MET 250 6.395 -2.752 -7.039 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.034 -1.748 0.946 1.00001.00 H ATOM 3952 HB2 PHE 251 6.559 -1.373 0.021 1.00001.00 H ATOM 3953 CG PHE 251 6.586 -0.601 2.007 1.00001.00 C ATOM 3954 CD1 PHE 251 7.228 -0.761 3.253 1.00001.00 C ATOM 3955 HD1 PHE 251 8.226 -1.197 3.296 1.00001.00 H ATOM 3956 CD2 PHE 251 5.292 -0.055 1.953 1.00001.00 C ATOM 3957 HD2 PHE 251 4.789 0.059 0.993 1.00001.00 H ATOM 3958 CE1 PHE 251 6.584 -0.358 4.434 1.00001.00 C ATOM 3959 HE1 PHE 251 7.078 -0.482 5.398 1.00001.00 H ATOM 3960 CE2 PHE 251 4.646 0.342 3.135 1.00001.00 C ATOM 3961 HE2 PHE 251 3.640 0.758 3.094 1.00001.00 H ATOM 3962 CZ PHE 251 5.297 0.203 4.372 1.00001.00 C ATOM 3963 HZ PHE 251 4.806 0.533 5.287 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.918 -0.067 3.180 1.00001.00 H ATOM 3972 HB2 TYR 252 12.145 -1.196 2.042 1.00001.00 H ATOM 3973 CG TYR 252 11.365 -1.253 4.017 1.00001.00 C ATOM 3974 CD1 TYR 252 11.544 -0.770 5.330 1.00001.00 C ATOM 3975 HD1 TYR 252 12.112 0.143 5.507 1.00001.00 H ATOM 3976 CD2 TYR 252 10.606 -2.413 3.784 1.00001.00 C ATOM 3977 HD2 TYR 252 10.455 -2.770 2.765 1.00001.00 H ATOM 3978 CE1 TYR 252 10.985 -1.472 6.414 1.00001.00 C ATOM 3979 HE1 TYR 252 11.119 -1.108 7.432 1.00001.00 H ATOM 3980 CE2 TYR 252 10.042 -3.112 4.865 1.00001.00 C ATOM 3981 HE2 TYR 252 9.448 -4.008 4.689 1.00001.00 H ATOM 3982 CZ TYR 252 10.249 -2.649 6.178 1.00001.00 C ATOM 3983 OH TYR 252 9.742 -3.345 7.216 1.00001.00 O ATOM 3984 HH TYR 252 9.236 -4.156 7.055 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 7.977 4.338 -0.075 1.00001.00 H ATOM 4000 HB2 ALA 254 8.629 4.655 -1.701 1.00001.00 H ATOM 4001 HB3 ALA 254 7.936 5.987 -0.745 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 10.022 3.198 4.771 1.00001.00 H ATOM 4010 HB2 ALA 255 8.587 3.046 3.727 1.00001.00 H ATOM 4011 HB3 ALA 255 8.472 3.907 5.282 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.696 8.573 0.477 1.00001.00 H ATOM 4034 HB2 PHE 257 13.329 7.977 0.094 1.00001.00 H ATOM 4035 CG PHE 257 13.089 10.087 -0.079 1.00001.00 C ATOM 4036 CD1 PHE 257 12.218 11.186 0.054 1.00001.00 C ATOM 4037 HD1 PHE 257 11.288 11.076 0.611 1.00001.00 H ATOM 4038 CD2 PHE 257 14.296 10.235 -0.787 1.00001.00 C ATOM 4039 HD2 PHE 257 14.975 9.388 -0.883 1.00001.00 H ATOM 4040 CE1 PHE 257 12.546 12.422 -0.530 1.00001.00 C ATOM 4041 HE1 PHE 257 11.867 13.269 -0.434 1.00001.00 H ATOM 4042 CE2 PHE 257 14.627 11.471 -1.367 1.00001.00 C ATOM 4043 HE2 PHE 257 15.562 11.584 -1.916 1.00001.00 H ATOM 4044 CZ PHE 257 13.752 12.563 -1.239 1.00001.00 C ATOM 4045 HZ PHE 257 14.007 13.523 -1.689 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.050 10.264 4.333 1.00001.00 H ATOM 4054 HB2 MET 258 8.632 8.619 3.983 1.00001.00 H ATOM 4055 CG MET 258 8.276 9.826 2.245 1.00001.00 C ATOM 4056 HG1 MET 258 7.268 9.421 2.153 1.00001.00 H ATOM 4057 HG2 MET 258 8.959 9.242 1.628 1.00001.00 H ATOM 4058 SD MET 258 8.254 11.524 1.596 1.00001.00 S ATOM 4059 CE MET 258 6.755 12.183 2.390 1.00001.00 C ATOM 4060 HE1 MET 258 6.750 11.905 3.444 1.00001.00 H ATOM 4061 HE2 MET 258 5.872 11.770 1.901 1.00001.00 H ATOM 4062 HE3 MET 258 6.744 13.270 2.301 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.121 7.789 9.238 1.00001.00 H ATOM 4071 HB2 TYR 259 10.133 7.044 7.621 1.00001.00 H ATOM 4072 CG TYR 259 8.454 8.283 8.021 1.00001.00 C ATOM 4073 CD1 TYR 259 7.592 7.369 7.383 1.00001.00 C ATOM 4074 HD1 TYR 259 7.983 6.430 6.992 1.00001.00 H ATOM 4075 CD2 TYR 259 7.953 9.500 8.519 1.00001.00 C ATOM 4076 HD2 TYR 259 8.617 10.194 9.033 1.00001.00 H ATOM 4077 CE1 TYR 259 6.222 7.671 7.251 1.00001.00 C ATOM 4078 HE1 TYR 259 5.543 6.956 6.787 1.00001.00 H ATOM 4079 CE2 TYR 259 6.595 9.820 8.355 1.00001.00 C ATOM 4080 HE2 TYR 259 6.210 10.773 8.715 1.00001.00 H ATOM 4081 CZ TYR 259 5.730 8.907 7.725 1.00001.00 C ATOM 4082 OH TYR 259 4.420 9.222 7.612 1.00001.00 O ATOM 4083 HH TYR 259 4.097 10.075 7.941 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 6.582 3.589 -4.212 1.00001.00 H ATOM 4377 HB2 TYR 278 5.089 3.264 -3.300 1.00001.00 H ATOM 4378 CG TYR 278 5.524 5.317 -3.591 1.00001.00 C ATOM 4379 CD1 TYR 278 6.706 6.085 -3.576 1.00001.00 C ATOM 4380 HD1 TYR 278 7.631 5.651 -3.954 1.00001.00 H ATOM 4381 CD2 TYR 278 4.339 5.867 -3.069 1.00001.00 C ATOM 4382 HD2 TYR 278 3.437 5.257 -3.003 1.00001.00 H ATOM 4383 CE1 TYR 278 6.700 7.405 -3.073 1.00001.00 C ATOM 4384 HE1 TYR 278 7.627 7.976 -3.012 1.00001.00 H ATOM 4385 CE2 TYR 278 4.318 7.202 -2.632 1.00001.00 C ATOM 4386 HE2 TYR 278 3.382 7.630 -2.274 1.00001.00 H ATOM 4387 CZ TYR 278 5.486 7.985 -2.652 1.00001.00 C ATOM 4388 OH TYR 278 5.386 9.298 -2.310 1.00001.00 O ATOM 4389 HH TYR 278 6.169 9.870 -2.352 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 8 Node: 0 # Binding energies BENERG: Met69: -0.0133612 Phe73: -0.27474 Met101: -0 Phe102: -0 Leu105: -0.0768558 Thr106: 0.249476 Met107: 0.33229 Gly108: 4.51231 Gly109: -0.79083 Ala110: -0.0289141 Glu111: 0.490465 Asp112: -0.781712 Leu113: -0.101789 Leu114: -0 Leu115: -0.0883648 Trp149: -0 Tyr159: -0.338495 Tyr200: -0.0202204 Met202: -0.0816345 Val204: -0.209623 Phe206: 0.355907 Leu207: 7.26205 Ser210: -0.0695781 Leu211: -0.0190814 Met250: -0 Phe251: 0.241356 Tyr252: -0.0698126 Ala255: -0.672207 Phe257: -0 Met258: -0.0649541 Tyr259: -0.132027 Tyr278: -0.0428749 Total ionic: -0 Total H-bond: -0.176225 Total pi stack: -0.00338627 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -7.26259 Total: 9.56678 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 114.811 Proximity: 4.06083 Protein clashes: 5.13379 # van der Waals repulsion vdWRPL: Phe73: 0.255101 Met107: 0.00664288 Gly108: 1.9302 Gly109: 0.0346168 Glu111: 0.0555313 Asp112: 0.111467 Phe206: 2.15233 Leu207: 3.3566 Phe251: 0.914037 Ala255: 0.00499309 Tyr259: 0.166677 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 2.463 2.955 5.319 1.00001.00 O HETATM 9001 O2 LIG 0 3.242 3.451 3.201 1.00001.00 O HETATM 9002 C3 LIG 0 4.789 3.911 8.150 1.00001.00 C HETATM 9003 C4 LIG 0 3.559 3.364 7.408 1.00001.00 C HETATM 9004 C5 LIG 0 3.650 3.488 5.892 1.00001.00 C HETATM 9005 C6 LIG 0 4.355 4.573 9.460 1.00001.00 C HETATM 9006 C7 LIG 0 5.826 2.825 8.439 1.00001.00 C HETATM 9007 C8 LIG 0 2.390 3.000 3.954 1.00001.00 C HETATM 9008 C9 LIG 0 1.092 2.408 3.494 1.00001.00 C HETATM 9009 H10 LIG 0 5.255 4.672 7.511 1.00001.00 H HETATM 9010 H11 LIG 0 2.656 3.881 7.759 1.00001.00 H HETATM 9011 H12 LIG 0 3.408 2.309 7.671 1.00001.00 H HETATM 9012 H13 LIG 0 3.744 4.537 5.594 1.00001.00 H HETATM 9013 H14 LIG 0 4.504 2.922 5.504 1.00001.00 H HETATM 9014 H15 LIG 0 5.198 5.115 9.902 1.00001.00 H HETATM 9015 H16 LIG 0 4.016 3.846 10.204 1.00001.00 H HETATM 9016 H17 LIG 0 3.552 5.297 9.289 1.00001.00 H HETATM 9017 H18 LIG 0 5.462 2.084 9.157 1.00001.00 H HETATM 9018 H19 LIG 0 6.735 3.269 8.859 1.00001.00 H HETATM 9019 H20 LIG 0 6.107 2.302 7.519 1.00001.00 H HETATM 9020 H21 LIG 0 0.267 2.823 4.078 1.00001.00 H HETATM 9021 H22 LIG 0 1.126 1.320 3.594 1.00001.00 H HETATM 9022 H23 LIG 0 0.933 2.657 2.441 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.379 1.708 -1.291 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.889 1.869 0.407 1.00001.00 H ATOM 1149 CG PHE 73 -3.481 3.321 -0.242 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.299 2.737 0.249 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.230 1.654 0.342 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.543 4.726 -0.398 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.449 5.182 -0.801 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.212 3.545 0.619 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.301 3.086 1.003 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.454 5.531 -0.039 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.502 6.611 -0.173 1.00001.00 H ATOM 1158 CZ PHE 73 -1.297 4.942 0.496 1.00001.00 C ATOM 1159 HZ PHE 73 -0.464 5.568 0.815 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.948 13.227 6.280 1.00001.00 H ATOM 1576 HB2 MET 101 -4.940 13.683 4.885 1.00001.00 H ATOM 1577 CG MET 101 -3.847 12.861 6.542 1.00001.00 C ATOM 1578 HG1 MET 101 -3.029 12.476 5.933 1.00001.00 H ATOM 1579 HG2 MET 101 -4.049 12.168 7.358 1.00001.00 H ATOM 1580 SD MET 101 -3.318 14.440 7.261 1.00001.00 S ATOM 1581 CE MET 101 -4.877 14.951 8.012 1.00001.00 C ATOM 1582 HE1 MET 101 -4.704 15.811 8.660 1.00001.00 H ATOM 1583 HE2 MET 101 -5.284 14.130 8.601 1.00001.00 H ATOM 1584 HE3 MET 101 -5.585 15.224 7.229 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.285 9.981 7.385 1.00001.00 H ATOM 1593 HB2 PHE 102 -8.535 10.646 8.857 1.00001.00 H ATOM 1594 CG PHE 102 -9.199 8.631 9.029 1.00001.00 C ATOM 1595 CD1 PHE 102 -10.200 7.810 8.477 1.00001.00 C ATOM 1596 HD1 PHE 102 -10.597 8.029 7.486 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.690 8.349 10.309 1.00001.00 C ATOM 1598 HD2 PHE 102 -7.917 8.984 10.742 1.00001.00 H ATOM 1599 CE1 PHE 102 -10.690 6.708 9.202 1.00001.00 C ATOM 1600 HE1 PHE 102 -11.465 6.072 8.773 1.00001.00 H ATOM 1601 CE2 PHE 102 -9.180 7.248 11.032 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.784 7.032 12.024 1.00001.00 H ATOM 1603 CZ PHE 102 -10.176 6.426 10.479 1.00001.00 C ATOM 1604 HZ PHE 102 -10.551 5.570 11.040 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1607 N LEU 103 -7.812 7.902 5.847 1.00001.00 N ATOM 1608 HN LEU 103 -8.251 8.683 5.403 1.00001.00 H ATOM 1609 CA LEU 103 -7.867 6.615 5.162 1.00001.00 C ATOM 1610 HA LEU 103 -8.271 5.865 5.844 1.00001.00 H ATOM 1611 CB LEU 103 -8.864 6.686 3.995 1.00001.00 C ATOM 1612 HB1 LEU 103 -8.769 5.774 3.405 1.00001.00 H ATOM 1613 HB2 LEU 103 -8.607 7.546 3.377 1.00001.00 H ATOM 1614 CG LEU 103 -10.334 6.827 4.434 1.00001.00 C ATOM 1615 HG LEU 103 -10.427 7.675 5.112 1.00001.00 H ATOM 1616 CD1 LEU 103 -11.229 7.052 3.216 1.00001.00 C ATOM 1617 1HD1 LEU 103 -12.251 7.235 3.546 1.00001.00 H ATOM 1618 2HD1 LEU 103 -11.204 6.168 2.580 1.00001.00 H ATOM 1619 3HD1 LEU 103 -10.867 7.913 2.655 1.00001.00 H ATOM 1620 CD2 LEU 103 -10.849 5.587 5.170 1.00001.00 C ATOM 1621 1HD2 LEU 103 -10.533 5.625 6.211 1.00001.00 H ATOM 1622 2HD2 LEU 103 -10.445 4.691 4.698 1.00001.00 H ATOM 1623 3HD2 LEU 103 -11.938 5.563 5.122 1.00001.00 H ATOM 1624 C LEU 103 -6.475 6.175 4.705 1.00001.00 C ATOM 1625 O LEU 103 -6.110 5.033 4.958 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.637 7.931 2.999 1.00001.00 H ATOM 1632 HB2 ALA 104 -4.036 8.891 3.535 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.086 8.041 1.971 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.433 7.423 9.175 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.901 8.005 8.354 1.00001.00 H ATOM 1643 CG LEU 105 -2.117 9.084 7.858 1.00001.00 C ATOM 1644 HG LEU 105 -2.383 9.374 6.842 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.549 10.178 8.835 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.193 11.144 8.479 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.124 9.975 9.818 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.636 10.194 8.906 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.596 8.941 7.930 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.135 9.926 7.847 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.252 8.308 7.114 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.318 8.492 8.882 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.221 1.136 3.126 1.00001.00 H ATOM 1675 HB2 MET 107 -4.114 2.887 3.432 1.00001.00 H ATOM 1676 CG MET 107 -6.106 2.098 3.460 1.00001.00 C ATOM 1677 HG1 MET 107 -6.243 2.172 2.381 1.00001.00 H ATOM 1678 HG2 MET 107 -6.442 3.020 3.933 1.00001.00 H ATOM 1679 SD MET 107 -7.166 0.755 4.057 1.00001.00 S ATOM 1680 CE MET 107 -8.656 1.729 4.379 1.00001.00 C ATOM 1681 HE1 MET 107 -8.515 2.324 5.282 1.00001.00 H ATOM 1682 HE2 MET 107 -9.506 1.059 4.516 1.00001.00 H ATOM 1683 HE3 MET 107 -8.848 2.391 3.534 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.196 -1.069 4.922 1.00001.00 H ATOM 1716 HB2 GLU 111 -1.239 -1.873 4.244 1.00001.00 H ATOM 1717 CG GLU 111 0.631 -2.811 3.730 1.00001.00 C ATOM 1718 HG1 GLU 111 0.240 -3.825 3.641 1.00001.00 H ATOM 1719 HG2 GLU 111 1.639 -2.846 4.146 1.00001.00 H ATOM 1720 CD GLU 111 0.711 -2.201 2.320 1.00001.00 C ATOM 1721 OE1 GLU 111 1.816 -1.704 1.984 1.00001.00 O ATOM 1722 OE2 GLU 111 -0.322 -2.183 1.614 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.321 -0.735 9.491 1.00001.00 H ATOM 1731 HB2 ASP 112 3.291 -0.251 8.080 1.00001.00 H ATOM 1732 CG ASP 112 4.407 -1.210 9.641 1.00001.00 C ATOM 1733 OD1 ASP 112 5.429 -1.594 9.035 1.00001.00 O ATOM 1734 OD2 ASP 112 4.370 -1.010 10.874 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 0.420 10.302 12.178 1.00001.00 H ATOM 2482 HB2 TYR 159 0.587 9.129 13.507 1.00001.00 H ATOM 2483 CG TYR 159 2.341 10.233 13.069 1.00001.00 C ATOM 2484 CD1 TYR 159 2.996 11.443 13.379 1.00001.00 C ATOM 2485 HD1 TYR 159 2.422 12.303 13.723 1.00001.00 H ATOM 2486 CD2 TYR 159 3.079 9.124 12.614 1.00001.00 C ATOM 2487 HD2 TYR 159 2.565 8.194 12.371 1.00001.00 H ATOM 2488 CE1 TYR 159 4.393 11.536 13.243 1.00001.00 C ATOM 2489 HE1 TYR 159 4.911 12.463 13.492 1.00001.00 H ATOM 2490 CE2 TYR 159 4.472 9.213 12.473 1.00001.00 C ATOM 2491 HE2 TYR 159 5.049 8.356 12.127 1.00001.00 H ATOM 2492 CZ TYR 159 5.124 10.422 12.780 1.00001.00 C ATOM 2493 OH TYR 159 6.459 10.511 12.598 1.00001.00 O ATOM 2494 HH TYR 159 6.920 11.345 12.786 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.792 14.552 2.232 1.00001.00 H ATOM 2841 HB2 GLU 180 0.304 13.933 1.478 1.00001.00 H ATOM 2842 CG GLU 180 1.356 12.493 2.682 1.00001.00 C ATOM 2843 HG1 GLU 180 1.570 11.990 1.739 1.00001.00 H ATOM 2844 HG2 GLU 180 0.542 11.977 3.192 1.00001.00 H ATOM 2845 CD GLU 180 2.604 12.426 3.564 1.00001.00 C ATOM 2846 OE1 GLU 180 2.457 11.881 4.672 1.00001.00 O ATOM 2847 OE2 GLU 180 3.696 12.872 3.145 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.881 13.674 7.741 1.00001.00 H ATOM 2856 CG1 ILE 181 0.893 13.399 8.531 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.449 12.978 7.629 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.153 14.006 9.052 1.00001.00 H ATOM 2859 CG2 ILE 181 2.643 15.028 9.356 1.00001.00 C ATOM 2860 1HG2 ILE 181 2.013 15.884 9.595 1.00001.00 H ATOM 2861 2HG2 ILE 181 3.656 15.372 9.142 1.00001.00 H ATOM 2862 3HG2 ILE 181 2.665 14.343 10.204 1.00001.00 H ATOM 2863 CD1 ILE 181 1.321 12.249 9.451 1.00001.00 C ATOM 2864 HD1 ILE 181 1.417 12.616 10.472 1.00001.00 H ATOM 2865 HD2 ILE 181 2.281 11.854 9.117 1.00001.00 H ATOM 2866 HD3 ILE 181 0.572 11.459 9.417 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.343 19.659 1.634 1.00001.00 H ATOM 2889 HB2 HIS 183 1.937 18.079 2.347 1.00001.00 H ATOM 2890 CG HIS 183 3.777 18.131 1.289 1.00001.00 C ATOM 2891 CD2 HIS 183 3.938 16.789 1.073 1.00001.00 C ATOM 2892 HD2 HIS 183 3.383 15.915 1.413 1.00001.00 H ATOM 2893 ND1 HIS 183 4.763 18.780 0.578 1.00001.00 N ATOM 2894 CE1 HIS 183 5.512 17.849 -0.039 1.00001.00 C ATOM 2895 HE1 HIS 183 6.380 17.963 -0.689 1.00001.00 H ATOM 2896 NE2 HIS 183 5.049 16.631 0.248 1.00001.00 N ATOM 2897 HE2 HIS 183 5.351 15.714 -0.014 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.444 12.262 12.716 1.00001.00 H ATOM 3161 HB2 TYR 200 11.969 12.709 11.059 1.00001.00 H ATOM 3162 CG TYR 200 13.388 11.126 11.182 1.00001.00 C ATOM 3163 CD1 TYR 200 14.327 10.542 12.056 1.00001.00 C ATOM 3164 HD1 TYR 200 14.213 10.652 13.134 1.00001.00 H ATOM 3165 CD2 TYR 200 13.542 10.994 9.793 1.00001.00 C ATOM 3166 HD2 TYR 200 12.807 11.436 9.120 1.00001.00 H ATOM 3167 CE1 TYR 200 15.415 9.815 11.534 1.00001.00 C ATOM 3168 HE1 TYR 200 16.135 9.347 12.207 1.00001.00 H ATOM 3169 CE2 TYR 200 14.641 10.296 9.271 1.00001.00 C ATOM 3170 HE2 TYR 200 14.773 10.218 8.191 1.00001.00 H ATOM 3171 CZ TYR 200 15.572 9.693 10.137 1.00001.00 C ATOM 3172 OH TYR 200 16.629 9.011 9.624 1.00001.00 O ATOM 3173 HH TYR 200 17.282 8.606 10.217 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.166 7.493 15.612 1.00001.00 H ATOM 3198 HB2 MET 202 6.928 9.012 15.080 1.00001.00 H ATOM 3199 CG MET 202 7.211 8.552 17.150 1.00001.00 C ATOM 3200 HG1 MET 202 6.420 9.260 17.387 1.00001.00 H ATOM 3201 HG2 MET 202 8.181 9.036 17.266 1.00001.00 H ATOM 3202 SD MET 202 7.116 7.172 18.319 1.00001.00 S ATOM 3203 CE MET 202 7.738 8.003 19.798 1.00001.00 C ATOM 3204 HE1 MET 202 7.580 7.365 20.668 1.00001.00 H ATOM 3205 HE2 MET 202 7.206 8.944 19.938 1.00001.00 H ATOM 3206 HE3 MET 202 8.803 8.203 19.683 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3216 N VAL 204 10.235 6.009 11.349 1.00001.00 N ATOM 3217 HN VAL 204 10.510 6.908 11.691 1.00001.00 H ATOM 3218 CA VAL 204 11.298 4.997 11.209 1.00001.00 C ATOM 3219 HA VAL 204 11.333 4.659 10.173 1.00001.00 H ATOM 3220 CB VAL 204 12.679 5.625 11.490 1.00001.00 C ATOM 3221 HB VAL 204 12.633 6.159 12.439 1.00001.00 H ATOM 3222 CG1 VAL 204 13.797 4.579 11.570 1.00001.00 C ATOM 3223 1HG1 VAL 204 13.640 3.946 12.443 1.00001.00 H ATOM 3224 2HG1 VAL 204 14.760 5.082 11.655 1.00001.00 H ATOM 3225 3HG1 VAL 204 13.786 3.966 10.669 1.00001.00 H ATOM 3226 CG2 VAL 204 13.066 6.607 10.376 1.00001.00 C ATOM 3227 1HG2 VAL 204 14.152 6.659 10.300 1.00001.00 H ATOM 3228 2HG2 VAL 204 12.670 7.595 10.609 1.00001.00 H ATOM 3229 3HG2 VAL 204 12.651 6.263 9.429 1.00001.00 H ATOM 3230 C VAL 204 11.037 3.794 12.119 1.00001.00 C ATOM 3231 O VAL 204 11.173 2.651 11.683 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.172 3.485 11.156 1.00001.00 H ATOM 3252 HB2 PHE 206 5.930 3.830 12.885 1.00001.00 H ATOM 3253 CG PHE 206 4.530 2.469 12.045 1.00001.00 C ATOM 3254 CD1 PHE 206 4.069 1.896 10.844 1.00001.00 C ATOM 3255 HD1 PHE 206 4.716 1.871 9.968 1.00001.00 H ATOM 3256 CD2 PHE 206 3.691 2.491 13.175 1.00001.00 C ATOM 3257 HD2 PHE 206 4.051 2.925 14.109 1.00001.00 H ATOM 3258 CE1 PHE 206 2.774 1.354 10.776 1.00001.00 C ATOM 3259 HE1 PHE 206 2.425 0.903 9.848 1.00001.00 H ATOM 3260 CE2 PHE 206 2.392 1.957 13.103 1.00001.00 C ATOM 3261 HE2 PHE 206 1.742 1.978 13.977 1.00001.00 H ATOM 3262 CZ PHE 206 1.932 1.394 11.898 1.00001.00 C ATOM 3263 HZ PHE 206 0.921 0.991 11.836 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.811 1.644 7.388 1.00001.00 H ATOM 3272 HB2 LEU 207 10.034 2.729 8.780 1.00001.00 H ATOM 3273 CG LEU 207 8.285 3.135 7.608 1.00001.00 C ATOM 3274 HG LEU 207 7.686 3.571 8.407 1.00001.00 H ATOM 3275 CD1 LEU 207 9.030 4.246 6.862 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.641 4.811 7.566 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.309 4.914 6.391 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.670 3.805 6.098 1.00001.00 H ATOM 3279 CD2 LEU 207 7.336 2.451 6.625 1.00001.00 C ATOM 3280 1HD2 LEU 207 6.832 1.623 7.122 1.00001.00 H ATOM 3281 2HD2 LEU 207 7.903 2.075 5.774 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.593 3.171 6.276 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3318 N SER 210 8.379 -3.818 10.130 1.00001.00 N ATOM 3319 HN SER 210 8.142 -2.873 10.363 1.00001.00 H ATOM 3320 CA SER 210 7.793 -4.335 8.890 1.00001.00 C ATOM 3321 HA SER 210 7.175 -5.202 9.120 1.00001.00 H ATOM 3322 CB SER 210 6.898 -3.263 8.262 1.00001.00 C ATOM 3323 HB1 SER 210 6.466 -3.652 7.340 1.00001.00 H ATOM 3324 HB2 SER 210 7.497 -2.381 8.038 1.00001.00 H ATOM 3325 OG SER 210 5.860 -2.907 9.145 1.00001.00 O ATOM 3326 HG SER 210 6.147 -2.163 9.697 1.00001.00 H ATOM 3327 C SER 210 8.887 -4.747 7.904 1.00001.00 C ATOM 3328 O SER 210 8.909 -5.888 7.435 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.076 0.486 -4.416 1.00001.00 H ATOM 3935 HB2 MET 250 8.185 -1.229 -3.952 1.00001.00 H ATOM 3936 CG MET 250 9.300 -0.711 -5.715 1.00001.00 C ATOM 3937 HG1 MET 250 9.900 -1.616 -5.624 1.00001.00 H ATOM 3938 HG2 MET 250 9.935 0.116 -6.034 1.00001.00 H ATOM 3939 SD MET 250 8.056 -0.992 -7.012 1.00001.00 S ATOM 3940 CE MET 250 7.107 -2.364 -6.303 1.00001.00 C ATOM 3941 HE1 MET 250 7.791 -3.143 -5.964 1.00001.00 H ATOM 3942 HE2 MET 250 6.439 -2.773 -7.062 1.00001.00 H ATOM 3943 HE3 MET 250 6.521 -2.002 -5.460 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.031 -1.755 0.930 1.00001.00 H ATOM 3952 HB2 PHE 251 6.547 -1.362 0.028 1.00001.00 H ATOM 3953 CG PHE 251 6.606 -0.606 2.019 1.00001.00 C ATOM 3954 CD1 PHE 251 7.272 -0.757 3.253 1.00001.00 C ATOM 3955 HD1 PHE 251 8.275 -1.183 3.279 1.00001.00 H ATOM 3956 CD2 PHE 251 5.305 -0.074 1.988 1.00001.00 C ATOM 3957 HD2 PHE 251 4.784 0.033 1.037 1.00001.00 H ATOM 3958 CE1 PHE 251 6.645 -0.359 4.445 1.00001.00 C ATOM 3959 HE1 PHE 251 7.158 -0.476 5.400 1.00001.00 H ATOM 3960 CE2 PHE 251 4.677 0.319 3.181 1.00001.00 C ATOM 3961 HE2 PHE 251 3.666 0.724 3.157 1.00001.00 H ATOM 3962 CZ PHE 251 5.352 0.189 4.406 1.00001.00 C ATOM 3963 HZ PHE 251 4.874 0.515 5.329 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.918 -0.067 3.180 1.00001.00 H ATOM 3972 HB2 TYR 252 12.145 -1.196 2.042 1.00001.00 H ATOM 3973 CG TYR 252 11.365 -1.253 4.017 1.00001.00 C ATOM 3974 CD1 TYR 252 11.551 -0.775 5.331 1.00001.00 C ATOM 3975 HD1 TYR 252 12.125 0.135 5.508 1.00001.00 H ATOM 3976 CD2 TYR 252 10.599 -2.408 3.783 1.00001.00 C ATOM 3977 HD2 TYR 252 10.443 -2.762 2.764 1.00001.00 H ATOM 3978 CE1 TYR 252 10.992 -1.477 6.415 1.00001.00 C ATOM 3979 HE1 TYR 252 11.132 -1.116 7.433 1.00001.00 H ATOM 3980 CE2 TYR 252 10.035 -3.107 4.864 1.00001.00 C ATOM 3981 HE2 TYR 252 9.436 -4.000 4.688 1.00001.00 H ATOM 3982 CZ TYR 252 10.249 -2.649 6.178 1.00001.00 C ATOM 3983 OH TYR 252 9.742 -3.345 7.216 1.00001.00 O ATOM 3984 HH TYR 252 9.231 -4.153 7.054 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 7.922 4.454 -0.005 1.00001.00 H ATOM 4000 HB2 ALA 254 8.628 4.524 -1.638 1.00001.00 H ATOM 4001 HB3 ALA 254 7.992 6.003 -0.879 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 10.022 3.198 4.771 1.00001.00 H ATOM 4010 HB2 ALA 255 8.587 3.046 3.727 1.00001.00 H ATOM 4011 HB3 ALA 255 8.472 3.907 5.282 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 11.696 8.573 0.477 1.00001.00 H ATOM 4034 HB2 PHE 257 13.329 7.977 0.094 1.00001.00 H ATOM 4035 CG PHE 257 13.089 10.087 -0.079 1.00001.00 C ATOM 4036 CD1 PHE 257 12.218 11.186 0.054 1.00001.00 C ATOM 4037 HD1 PHE 257 11.288 11.076 0.611 1.00001.00 H ATOM 4038 CD2 PHE 257 14.296 10.235 -0.787 1.00001.00 C ATOM 4039 HD2 PHE 257 14.975 9.388 -0.883 1.00001.00 H ATOM 4040 CE1 PHE 257 12.546 12.422 -0.530 1.00001.00 C ATOM 4041 HE1 PHE 257 11.867 13.269 -0.434 1.00001.00 H ATOM 4042 CE2 PHE 257 14.627 11.471 -1.367 1.00001.00 C ATOM 4043 HE2 PHE 257 15.562 11.584 -1.916 1.00001.00 H ATOM 4044 CZ PHE 257 13.752 12.563 -1.239 1.00001.00 C ATOM 4045 HZ PHE 257 14.007 13.523 -1.689 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.051 10.258 4.340 1.00001.00 H ATOM 4054 HB2 MET 258 8.634 8.616 3.974 1.00001.00 H ATOM 4055 CG MET 258 8.272 9.838 2.248 1.00001.00 C ATOM 4056 HG1 MET 258 7.263 9.435 2.155 1.00001.00 H ATOM 4057 HG2 MET 258 8.952 9.258 1.624 1.00001.00 H ATOM 4058 SD MET 258 8.250 11.542 1.612 1.00001.00 S ATOM 4059 CE MET 258 6.754 12.196 2.415 1.00001.00 C ATOM 4060 HE1 MET 258 6.794 13.285 2.426 1.00001.00 H ATOM 4061 HE2 MET 258 6.698 11.823 3.438 1.00001.00 H ATOM 4062 HE3 MET 258 5.873 11.871 1.861 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.123 7.787 9.237 1.00001.00 H ATOM 4071 HB2 TYR 259 10.131 7.045 7.619 1.00001.00 H ATOM 4072 CG TYR 259 8.454 8.285 8.025 1.00001.00 C ATOM 4073 CD1 TYR 259 7.510 7.742 8.918 1.00001.00 C ATOM 4074 HD1 TYR 259 7.833 7.073 9.716 1.00001.00 H ATOM 4075 CD2 TYR 259 8.037 9.142 6.989 1.00001.00 C ATOM 4076 HD2 TYR 259 8.773 9.581 6.316 1.00001.00 H ATOM 4077 CE1 TYR 259 6.145 8.063 8.779 1.00001.00 C ATOM 4078 HE1 TYR 259 5.412 7.671 9.485 1.00001.00 H ATOM 4079 CE2 TYR 259 6.673 9.434 6.825 1.00001.00 C ATOM 4080 HE2 TYR 259 6.346 10.075 6.007 1.00001.00 H ATOM 4081 CZ TYR 259 5.729 8.898 7.719 1.00001.00 C ATOM 4082 OH TYR 259 4.426 9.223 7.563 1.00001.00 O ATOM 4083 HH TYR 259 4.155 9.797 6.829 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 6.582 3.589 -4.212 1.00001.00 H ATOM 4377 HB2 TYR 278 5.089 3.264 -3.300 1.00001.00 H ATOM 4378 CG TYR 278 5.524 5.317 -3.591 1.00001.00 C ATOM 4379 CD1 TYR 278 6.706 6.085 -3.576 1.00001.00 C ATOM 4380 HD1 TYR 278 7.631 5.651 -3.954 1.00001.00 H ATOM 4381 CD2 TYR 278 4.339 5.867 -3.069 1.00001.00 C ATOM 4382 HD2 TYR 278 3.437 5.257 -3.003 1.00001.00 H ATOM 4383 CE1 TYR 278 6.700 7.405 -3.073 1.00001.00 C ATOM 4384 HE1 TYR 278 7.627 7.976 -3.012 1.00001.00 H ATOM 4385 CE2 TYR 278 4.318 7.202 -2.632 1.00001.00 C ATOM 4386 HE2 TYR 278 3.382 7.630 -2.274 1.00001.00 H ATOM 4387 CZ TYR 278 5.486 7.985 -2.652 1.00001.00 C ATOM 4388 OH TYR 278 5.386 9.298 -2.310 1.00001.00 O ATOM 4389 HH TYR 278 6.169 9.870 -2.352 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END Pose: 9 Node: 0 # Binding energies BENERG: Met69: -0.0296617 Phe73: -0.203744 Met101: -0 Leu105: 0.0580998 Thr106: 0.256951 Met107: 0.314329 Gly108: 1.22225 Gly109: -0.818923 Ala110: -0.0226527 Glu111: 1.15598 Asp112: -0.455258 Leu113: -0.0895997 Leu114: -0 Leu115: -0.106799 Tyr159: -0.0247476 Tyr200: -0.0127142 Met202: -0.033385 Phe206: 8.11175 Leu207: 0.150931 Ser210: -0.216305 Leu211: -0.0296808 Met250: 0.489065 Phe251: 3.66953 Tyr252: -0.0847042 Ala255: -0.625802 Phe257: -0 Met258: -0.0583304 Tyr259: -0.1608 Tyr278: 0.37677 Total ionic: -0 Total H-bond: -0.154825 Total pi stack: -0.0016461 Total polar-pi and cation-pi: -0 Total metal coordination: -0 Total van der Waals: -6.32419 Total: 12.8325 Best-Binding Pairs: O1 O2 C8 - Glu111 Asp112 C3 C4 C5 C6 C7 H10 H11 H12 H13 H14 H15 H16 H17 H18 H19 H20 - Phe206 Leu207 Tyr259 C9 H21 H22 H23 - Phe73 Ala104 Met107 Gly108 Ligand polar satisfaction: 116.807 Proximity: 4.06999 Protein clashes: -5.3186 # van der Waals repulsion vdWRPL: Phe73: 0.553092 Met107: 0.00374759 Gly108: 1.20047 Gly109: 0.0280151 Glu111: 0.029656 Asp112: 0.260508 Phe206: 2.56725 Leu207: 2.9934 Phe251: 4.17208 Ala255: 0.0247432 # PDB Data PDBDAT: HETATM 9000 O1 LIG 0 2.421 2.707 4.736 1.00001.00 O HETATM 9001 O2 LIG 0 3.403 2.123 2.728 1.00001.00 O HETATM 9002 C3 LIG 0 4.924 3.502 7.456 1.00001.00 C HETATM 9003 C4 LIG 0 3.575 3.329 6.739 1.00001.00 C HETATM 9004 C5 LIG 0 3.683 2.636 5.386 1.00001.00 C HETATM 9005 C6 LIG 0 4.802 4.574 8.541 1.00001.00 C HETATM 9006 C7 LIG 0 5.428 2.197 8.073 1.00001.00 C HETATM 9007 C8 LIG 0 2.425 2.425 3.398 1.00001.00 C HETATM 9008 C9 LIG 0 1.035 2.538 2.849 1.00001.00 C HETATM 9009 H10 LIG 0 5.658 3.839 6.713 1.00001.00 H HETATM 9010 H11 LIG 0 3.099 4.309 6.606 1.00001.00 H HETATM 9011 H12 LIG 0 2.888 2.759 7.378 1.00001.00 H HETATM 9012 H13 LIG 0 4.431 3.129 4.757 1.00001.00 H HETATM 9013 H14 LIG 0 3.949 1.581 5.507 1.00001.00 H HETATM 9014 H15 LIG 0 5.795 4.826 8.932 1.00001.00 H HETATM 9015 H16 LIG 0 4.198 4.242 9.392 1.00001.00 H HETATM 9016 H17 LIG 0 4.364 5.494 8.141 1.00001.00 H HETATM 9017 H18 LIG 0 4.795 1.857 8.898 1.00001.00 H HETATM 9018 H19 LIG 0 6.440 2.330 8.470 1.00001.00 H HETATM 9019 H20 LIG 0 5.468 1.402 7.321 1.00001.00 H HETATM 9020 H21 LIG 0 0.696 3.575 2.910 1.00001.00 H HETATM 9021 H22 LIG 0 0.362 1.880 3.405 1.00001.00 H HETATM 9022 H23 LIG 0 1.033 2.232 1.799 1.00001.00 H ATOM 1142 N PHE 73 -7.094 2.209 -0.779 1.00001.00 N ATOM 1143 HN PHE 73 -6.892 1.271 -0.497 1.00001.00 H ATOM 1144 CA PHE 73 -5.962 3.108 -0.967 1.00001.00 C ATOM 1145 HA PHE 73 -6.088 3.979 -0.323 1.00001.00 H ATOM 1146 CB PHE 73 -4.669 2.413 -0.512 1.00001.00 C ATOM 1147 HB1 PHE 73 -4.379 1.708 -1.291 1.00001.00 H ATOM 1148 HB2 PHE 73 -4.889 1.869 0.407 1.00001.00 H ATOM 1149 CG PHE 73 -3.481 3.321 -0.242 1.00001.00 C ATOM 1150 CD1 PHE 73 -2.299 2.737 0.249 1.00001.00 C ATOM 1151 HD1 PHE 73 -2.230 1.654 0.342 1.00001.00 H ATOM 1152 CD2 PHE 73 -3.543 4.726 -0.398 1.00001.00 C ATOM 1153 HD2 PHE 73 -4.449 5.182 -0.801 1.00001.00 H ATOM 1154 CE1 PHE 73 -1.212 3.545 0.619 1.00001.00 C ATOM 1155 HE1 PHE 73 -0.301 3.086 1.003 1.00001.00 H ATOM 1156 CE2 PHE 73 -2.454 5.531 -0.039 1.00001.00 C ATOM 1157 HE2 PHE 73 -2.502 6.611 -0.173 1.00001.00 H ATOM 1158 CZ PHE 73 -1.297 4.942 0.496 1.00001.00 C ATOM 1159 HZ PHE 73 -0.464 5.568 0.815 1.00001.00 H ATOM 1160 C PHE 73 -5.868 3.570 -2.423 1.00001.00 C ATOM 1161 O PHE 73 -5.863 4.771 -2.714 1.00001.00 O ATOM 1570 N MET 101 -6.559 11.775 4.106 1.00001.00 N ATOM 1571 HN MET 101 -7.006 12.669 4.137 1.00001.00 H ATOM 1572 CA MET 101 -5.415 11.591 4.995 1.00001.00 C ATOM 1573 HA MET 101 -4.545 11.316 4.398 1.00001.00 H ATOM 1574 CB MET 101 -5.099 12.934 5.661 1.00001.00 C ATOM 1575 HB1 MET 101 -5.883 13.159 6.385 1.00001.00 H ATOM 1576 HB2 MET 101 -5.078 13.710 4.896 1.00001.00 H ATOM 1577 CG MET 101 -3.748 12.916 6.385 1.00001.00 C ATOM 1578 HG1 MET 101 -2.988 12.596 5.671 1.00001.00 H ATOM 1579 HG2 MET 101 -3.810 12.192 7.196 1.00001.00 H ATOM 1580 SD MET 101 -3.228 14.506 7.085 1.00001.00 S ATOM 1581 CE MET 101 -4.712 14.902 8.032 1.00001.00 C ATOM 1582 HE1 MET 101 -4.505 15.739 8.700 1.00001.00 H ATOM 1583 HE2 MET 101 -5.012 14.036 8.619 1.00001.00 H ATOM 1584 HE3 MET 101 -5.517 15.176 7.348 1.00001.00 H ATOM 1585 C MET 101 -5.672 10.491 6.032 1.00001.00 C ATOM 1586 O MET 101 -4.842 9.602 6.202 1.00001.00 O ATOM 1587 N PHE 102 -6.840 10.494 6.684 1.00001.00 N ATOM 1588 HN PHE 102 -7.501 11.228 6.524 1.00001.00 H ATOM 1589 CA PHE 102 -7.220 9.456 7.647 1.00001.00 C ATOM 1590 HA PHE 102 -6.518 9.478 8.481 1.00001.00 H ATOM 1591 CB PHE 102 -8.612 9.768 8.215 1.00001.00 C ATOM 1592 HB1 PHE 102 -9.014 8.861 8.665 1.00001.00 H ATOM 1593 HB2 PHE 102 -9.257 10.085 7.395 1.00001.00 H ATOM 1594 CG PHE 102 -8.602 10.861 9.266 1.00001.00 C ATOM 1595 CD1 PHE 102 -8.587 10.527 10.633 1.00001.00 C ATOM 1596 HD1 PHE 102 -8.644 9.482 10.938 1.00001.00 H ATOM 1597 CD2 PHE 102 -8.532 12.210 8.875 1.00001.00 C ATOM 1598 HD2 PHE 102 -8.547 12.474 7.817 1.00001.00 H ATOM 1599 CE1 PHE 102 -8.500 11.538 11.607 1.00001.00 C ATOM 1600 HE1 PHE 102 -8.487 11.278 12.666 1.00001.00 H ATOM 1601 CE2 PHE 102 -8.445 13.219 9.849 1.00001.00 C ATOM 1602 HE2 PHE 102 -8.392 14.264 9.543 1.00001.00 H ATOM 1603 CZ PHE 102 -8.426 12.885 11.213 1.00001.00 C ATOM 1604 HZ PHE 102 -8.353 13.670 11.966 1.00001.00 H ATOM 1605 C PHE 102 -7.204 8.058 7.024 1.00001.00 C ATOM 1606 O PHE 102 -6.629 7.133 7.598 1.00001.00 O ATOM 1626 N ALA 104 -5.674 7.069 4.119 1.00001.00 N ATOM 1627 HN ALA 104 -6.000 8.000 3.954 1.00001.00 H ATOM 1628 CA ALA 104 -4.311 6.758 3.690 1.00001.00 C ATOM 1629 HA ALA 104 -4.349 5.964 2.944 1.00001.00 H ATOM 1630 CB ALA 104 -3.724 7.995 2.998 1.00001.00 C ATOM 1631 HB1 ALA 104 -2.754 7.747 2.570 1.00001.00 H ATOM 1632 HB2 ALA 104 -3.605 8.795 3.729 1.00001.00 H ATOM 1633 HB3 ALA 104 -4.399 8.322 2.207 1.00001.00 H ATOM 1634 C ALA 104 -3.428 6.294 4.862 1.00001.00 C ATOM 1635 O ALA 104 -2.789 5.245 4.776 1.00001.00 O ATOM 1636 N LEU 105 -3.454 7.019 5.985 1.00001.00 N ATOM 1637 HN LEU 105 -4.000 7.857 6.028 1.00001.00 H ATOM 1638 CA LEU 105 -2.711 6.653 7.195 1.00001.00 C ATOM 1639 HA LEU 105 -1.656 6.549 6.941 1.00001.00 H ATOM 1640 CB LEU 105 -2.842 7.780 8.230 1.00001.00 C ATOM 1641 HB1 LEU 105 -2.427 7.425 9.173 1.00001.00 H ATOM 1642 HB2 LEU 105 -3.902 8.001 8.358 1.00001.00 H ATOM 1643 CG LEU 105 -2.124 9.087 7.855 1.00001.00 C ATOM 1644 HG LEU 105 -2.366 9.355 6.827 1.00001.00 H ATOM 1645 CD1 LEU 105 -2.595 10.192 8.800 1.00001.00 C ATOM 1646 1HD1 LEU 105 -2.024 11.100 8.611 1.00001.00 H ATOM 1647 2HD1 LEU 105 -2.443 9.876 9.832 1.00001.00 H ATOM 1648 3HD1 LEU 105 -3.655 10.386 8.633 1.00001.00 H ATOM 1649 CD2 LEU 105 -0.604 8.965 7.969 1.00001.00 C ATOM 1650 1HD2 LEU 105 -0.342 8.609 8.966 1.00001.00 H ATOM 1651 2HD2 LEU 105 -0.147 9.939 7.799 1.00001.00 H ATOM 1652 3HD2 LEU 105 -0.239 8.257 7.225 1.00001.00 H ATOM 1653 C LEU 105 -3.206 5.335 7.799 1.00001.00 C ATOM 1654 O LEU 105 -2.400 4.533 8.262 1.00001.00 O ATOM 1669 N MET 107 -4.703 2.763 6.091 1.00001.00 N ATOM 1670 HN MET 107 -5.053 3.599 5.669 1.00001.00 H ATOM 1671 CA MET 107 -4.260 1.681 5.203 1.00001.00 C ATOM 1672 HA MET 107 -4.804 0.770 5.452 1.00001.00 H ATOM 1673 CB MET 107 -4.604 1.959 3.730 1.00001.00 C ATOM 1674 HB1 MET 107 -4.266 1.112 3.132 1.00001.00 H ATOM 1675 HB2 MET 107 -4.073 2.859 3.417 1.00001.00 H ATOM 1676 CG MET 107 -6.100 2.166 3.472 1.00001.00 C ATOM 1677 HG1 MET 107 -6.203 2.672 2.512 1.00001.00 H ATOM 1678 HG2 MET 107 -6.486 2.808 4.264 1.00001.00 H ATOM 1679 SD MET 107 -7.129 0.676 3.420 1.00001.00 S ATOM 1680 CE MET 107 -8.699 1.431 3.907 1.00001.00 C ATOM 1681 HE1 MET 107 -8.591 1.897 4.887 1.00001.00 H ATOM 1682 HE2 MET 107 -9.473 0.664 3.953 1.00001.00 H ATOM 1683 HE3 MET 107 -8.981 2.188 3.175 1.00001.00 H ATOM 1684 C MET 107 -2.761 1.428 5.361 1.00001.00 C ATOM 1685 O MET 107 -2.377 0.290 5.612 1.00001.00 O ATOM 1686 N GLY 108 -1.930 2.475 5.317 1.00001.00 N ATOM 1687 HN GLY 108 -2.293 3.396 5.180 1.00001.00 H ATOM 1688 CA GLY 108 -0.479 2.333 5.464 1.00001.00 C ATOM 1689 HA1 GLY 108 -0.021 3.315 5.356 1.00001.00 H ATOM 1690 HA2 GLY 108 -0.113 1.672 4.678 1.00001.00 H ATOM 1691 C GLY 108 -0.071 1.748 6.821 1.00001.00 C ATOM 1692 O GLY 108 0.747 0.835 6.883 1.00001.00 O ATOM 1693 N GLY 109 -0.676 2.216 7.916 1.00001.00 N ATOM 1694 HN GLY 109 -1.344 2.956 7.841 1.00001.00 H ATOM 1695 CA GLY 109 -0.398 1.678 9.251 1.00001.00 C ATOM 1696 HA1 GLY 109 -0.887 2.315 9.989 1.00001.00 H ATOM 1697 HA2 GLY 109 0.680 1.696 9.412 1.00001.00 H ATOM 1698 C GLY 109 -0.895 0.243 9.438 1.00001.00 C ATOM 1699 O GLY 109 -0.246 -0.558 10.109 1.00001.00 O ATOM 1710 N GLU 111 -1.349 -2.026 6.915 1.00001.00 N ATOM 1711 HN GLU 111 -1.624 -1.128 6.568 1.00001.00 H ATOM 1712 CA GLU 111 -0.468 -2.791 6.034 1.00001.00 C ATOM 1713 HA GLU 111 -0.960 -3.724 5.762 1.00001.00 H ATOM 1714 CB GLU 111 -0.267 -2.033 4.709 1.00001.00 C ATOM 1715 HB1 GLU 111 0.327 -1.139 4.902 1.00001.00 H ATOM 1716 HB2 GLU 111 -1.242 -1.744 4.318 1.00001.00 H ATOM 1717 CG GLU 111 0.457 -2.893 3.657 1.00001.00 C ATOM 1718 HG1 GLU 111 -0.044 -3.861 3.605 1.00001.00 H ATOM 1719 HG2 GLU 111 1.487 -3.035 3.983 1.00001.00 H ATOM 1720 CD GLU 111 0.476 -2.284 2.244 1.00001.00 C ATOM 1721 OE1 GLU 111 -0.209 -2.872 1.369 1.00001.00 O ATOM 1722 OE2 GLU 111 1.200 -1.286 2.030 1.00001.00 O ATOM 1723 C GLU 111 0.861 -3.108 6.725 1.00001.00 C ATOM 1724 O GLU 111 1.247 -4.273 6.759 1.00001.00 O ATOM 1725 N ASP 112 1.506 -2.129 7.367 1.00001.00 N ATOM 1726 HN ASP 112 1.141 -1.198 7.354 1.00001.00 H ATOM 1727 CA ASP 112 2.755 -2.337 8.116 1.00001.00 C ATOM 1728 HA ASP 112 3.548 -2.582 7.411 1.00001.00 H ATOM 1729 CB ASP 112 3.133 -1.030 8.826 1.00001.00 C ATOM 1730 HB1 ASP 112 2.342 -0.760 9.526 1.00001.00 H ATOM 1731 HB2 ASP 112 3.244 -0.239 8.084 1.00001.00 H ATOM 1732 CG ASP 112 4.442 -1.191 9.587 1.00001.00 C ATOM 1733 OD1 ASP 112 5.455 -1.510 8.931 1.00001.00 O ATOM 1734 OD2 ASP 112 4.443 -1.041 10.828 1.00001.00 O ATOM 1735 C ASP 112 2.642 -3.477 9.147 1.00001.00 C ATOM 1736 O ASP 112 3.403 -4.452 9.129 1.00001.00 O ATOM 2476 N TYR 159 -0.581 10.419 15.152 1.00001.00 N ATOM 2477 HN TYR 159 -0.630 9.422 15.093 1.00001.00 H ATOM 2478 CA TYR 159 0.188 11.129 14.131 1.00001.00 C ATOM 2479 HA TYR 159 0.983 11.691 14.619 1.00001.00 H ATOM 2480 CB TYR 159 0.838 10.135 13.172 1.00001.00 C ATOM 2481 HB1 TYR 159 0.586 10.434 12.154 1.00001.00 H ATOM 2482 HB2 TYR 159 0.422 9.148 13.375 1.00001.00 H ATOM 2483 CG TYR 159 2.342 10.038 13.271 1.00001.00 C ATOM 2484 CD1 TYR 159 3.147 11.152 12.956 1.00001.00 C ATOM 2485 HD1 TYR 159 2.685 12.096 12.667 1.00001.00 H ATOM 2486 CD2 TYR 159 2.935 8.814 13.633 1.00001.00 C ATOM 2487 HD2 TYR 159 2.306 7.956 13.870 1.00001.00 H ATOM 2488 CE1 TYR 159 4.548 11.040 13.013 1.00001.00 C ATOM 2489 HE1 TYR 159 5.179 11.899 12.784 1.00001.00 H ATOM 2490 CE2 TYR 159 4.332 8.696 13.688 1.00001.00 C ATOM 2491 HE2 TYR 159 4.797 7.753 13.974 1.00001.00 H ATOM 2492 CZ TYR 159 5.135 9.808 13.370 1.00001.00 C ATOM 2493 OH TYR 159 6.478 9.671 13.384 1.00001.00 O ATOM 2494 HH TYR 159 7.044 10.424 13.147 1.00001.00 H ATOM 2495 C TYR 159 -0.669 12.097 13.323 1.00001.00 C ATOM 2496 O TYR 159 -0.249 13.227 13.076 1.00001.00 O ATOM 2835 N GLU 180 -0.889 15.449 3.077 1.00001.00 N ATOM 2836 HN GLU 180 -0.512 16.277 2.662 1.00001.00 H ATOM 2837 CA GLU 180 0.091 14.475 3.556 1.00001.00 C ATOM 2838 HA GLU 180 -0.435 13.630 3.999 1.00001.00 H ATOM 2839 CB GLU 180 0.913 13.926 2.382 1.00001.00 C ATOM 2840 HB1 GLU 180 1.792 14.552 2.232 1.00001.00 H ATOM 2841 HB2 GLU 180 0.304 13.933 1.478 1.00001.00 H ATOM 2842 CG GLU 180 1.356 12.493 2.682 1.00001.00 C ATOM 2843 HG1 GLU 180 1.625 12.008 1.744 1.00001.00 H ATOM 2844 HG2 GLU 180 0.522 11.960 3.140 1.00001.00 H ATOM 2845 CD GLU 180 2.556 12.425 3.628 1.00001.00 C ATOM 2846 OE1 GLU 180 2.357 11.860 4.718 1.00001.00 O ATOM 2847 OE2 GLU 180 3.664 12.889 3.275 1.00001.00 O ATOM 2848 C GLU 180 1.014 15.092 4.604 1.00001.00 C ATOM 2849 O GLU 180 1.345 16.279 4.522 1.00001.00 O ATOM 2850 N ILE 181 1.136 14.689 5.834 1.00001.00 N ATOM 2851 HN ILE 181 1.055 13.692 5.862 1.00001.00 H ATOM 2852 CA ILE 181 1.685 15.332 7.036 1.00001.00 C ATOM 2853 HA ILE 181 0.897 15.908 7.520 1.00001.00 H ATOM 2854 CB ILE 181 2.077 14.302 8.125 1.00001.00 C ATOM 2855 HB ILE 181 2.860 13.654 7.730 1.00001.00 H ATOM 2856 CG1 ILE 181 0.883 13.427 8.561 1.00001.00 C ATOM 2857 1HG1 ILE 181 0.374 13.061 7.670 1.00001.00 H ATOM 2858 2HG1 ILE 181 0.197 14.039 9.147 1.00001.00 H ATOM 2859 CG2 ILE 181 2.682 15.025 9.339 1.00001.00 C ATOM 2860 1HG2 ILE 181 1.977 15.769 9.709 1.00001.00 H ATOM 2861 2HG2 ILE 181 3.609 15.519 9.043 1.00001.00 H ATOM 2862 3HG2 ILE 181 2.894 14.300 10.126 1.00001.00 H ATOM 2863 CD1 ILE 181 1.315 12.225 9.410 1.00001.00 C ATOM 2864 HD1 ILE 181 1.532 12.555 10.425 1.00001.00 H ATOM 2865 HD2 ILE 181 2.210 11.777 8.976 1.00001.00 H ATOM 2866 HD3 ILE 181 0.514 11.487 9.430 1.00001.00 H ATOM 2867 C ILE 181 2.853 16.277 6.697 1.00001.00 C ATOM 2868 O ILE 181 2.761 17.449 7.064 1.00001.00 O ATOM 2883 N HIS 183 3.747 18.086 4.275 1.00001.00 N ATOM 2884 HN HIS 183 3.254 17.229 4.122 1.00001.00 H ATOM 2885 CA HIS 183 3.312 19.251 3.505 1.00001.00 C ATOM 2886 HA HIS 183 4.189 19.846 3.247 1.00001.00 H ATOM 2887 CB HIS 183 2.741 18.791 2.160 1.00001.00 C ATOM 2888 HB1 HIS 183 2.354 19.661 1.629 1.00001.00 H ATOM 2889 HB2 HIS 183 1.929 18.088 2.347 1.00001.00 H ATOM 2890 CG HIS 183 3.773 18.117 1.295 1.00001.00 C ATOM 2891 CD2 HIS 183 4.021 16.774 1.203 1.00001.00 C ATOM 2892 HD2 HIS 183 3.551 15.904 1.662 1.00001.00 H ATOM 2893 ND1 HIS 183 4.668 18.754 0.464 1.00001.00 N ATOM 2894 CE1 HIS 183 5.448 17.818 -0.104 1.00001.00 C ATOM 2895 HE1 HIS 183 6.268 17.923 -0.815 1.00001.00 H ATOM 2896 NE2 HIS 183 5.093 16.607 0.330 1.00001.00 N ATOM 2897 HE2 HIS 183 5.447 15.691 0.142 1.00001.00 H ATOM 2898 C HIS 183 2.329 20.133 4.281 1.00001.00 C ATOM 2899 O HIS 183 2.384 21.354 4.149 1.00001.00 O ATOM 3155 N TYR 200 9.860 11.788 12.421 1.00001.00 N ATOM 3156 HN TYR 200 10.075 12.726 12.692 1.00001.00 H ATOM 3157 CA TYR 200 10.943 10.998 11.848 1.00001.00 C ATOM 3158 HA TYR 200 10.665 10.700 10.837 1.00001.00 H ATOM 3159 CB TYR 200 12.192 11.877 11.728 1.00001.00 C ATOM 3160 HB1 TYR 200 12.641 11.981 12.716 1.00001.00 H ATOM 3161 HB2 TYR 200 11.893 12.858 11.358 1.00001.00 H ATOM 3162 CG TYR 200 13.227 11.301 10.785 1.00001.00 C ATOM 3163 CD1 TYR 200 14.258 10.472 11.272 1.00001.00 C ATOM 3164 HD1 TYR 200 14.334 10.264 12.339 1.00001.00 H ATOM 3165 CD2 TYR 200 13.136 11.579 9.412 1.00001.00 C ATOM 3166 HD2 TYR 200 12.330 12.209 9.036 1.00001.00 H ATOM 3167 CE1 TYR 200 15.192 9.914 10.377 1.00001.00 C ATOM 3168 HE1 TYR 200 15.982 9.260 10.748 1.00001.00 H ATOM 3169 CE2 TYR 200 14.083 11.048 8.523 1.00001.00 C ATOM 3170 HE2 TYR 200 14.027 11.287 7.461 1.00001.00 H ATOM 3171 CZ TYR 200 15.104 10.204 8.999 1.00001.00 C ATOM 3172 OH TYR 200 16.013 9.686 8.131 1.00001.00 O ATOM 3173 HH TYR 200 16.727 9.116 8.457 1.00001.00 H ATOM 3174 C TYR 200 11.230 9.737 12.676 1.00001.00 C ATOM 3175 O TYR 200 11.183 8.627 12.152 1.00001.00 O ATOM 3192 N MET 202 9.424 8.208 15.082 1.00001.00 N ATOM 3193 HN MET 202 9.260 9.192 15.149 1.00001.00 H ATOM 3194 CA MET 202 8.255 7.332 15.165 1.00001.00 C ATOM 3195 HA MET 202 8.451 6.551 15.900 1.00001.00 H ATOM 3196 CB MET 202 7.054 8.120 15.693 1.00001.00 C ATOM 3197 HB1 MET 202 6.170 7.486 15.633 1.00001.00 H ATOM 3198 HB2 MET 202 6.914 9.000 15.066 1.00001.00 H ATOM 3199 CG MET 202 7.224 8.578 17.141 1.00001.00 C ATOM 3200 HG1 MET 202 6.583 9.442 17.307 1.00001.00 H ATOM 3201 HG2 MET 202 8.265 8.861 17.295 1.00001.00 H ATOM 3202 SD MET 202 6.792 7.301 18.350 1.00001.00 S ATOM 3203 CE MET 202 6.893 8.288 19.861 1.00001.00 C ATOM 3204 HE1 MET 202 6.504 7.709 20.699 1.00001.00 H ATOM 3205 HE2 MET 202 6.302 9.196 19.742 1.00001.00 H ATOM 3206 HE3 MET 202 7.932 8.554 20.053 1.00001.00 H ATOM 3207 C MET 202 7.942 6.675 13.817 1.00001.00 C ATOM 3208 O MET 202 7.647 5.484 13.786 1.00001.00 O ATOM 3246 N PHE 206 8.143 2.728 13.084 1.00001.00 N ATOM 3247 HN PHE 206 8.198 3.709 12.904 1.00001.00 H ATOM 3248 CA PHE 206 7.011 2.023 12.481 1.00001.00 C ATOM 3249 HA PHE 206 6.568 1.364 13.227 1.00001.00 H ATOM 3250 CB PHE 206 5.926 3.050 12.124 1.00001.00 C ATOM 3251 HB1 PHE 206 6.293 3.664 11.302 1.00001.00 H ATOM 3252 HB2 PHE 206 5.750 3.679 12.996 1.00001.00 H ATOM 3253 CG PHE 206 4.608 2.433 11.707 1.00001.00 C ATOM 3254 CD1 PHE 206 4.356 2.146 10.352 1.00001.00 C ATOM 3255 HD1 PHE 206 5.112 2.369 9.599 1.00001.00 H ATOM 3256 CD2 PHE 206 3.630 2.136 12.677 1.00001.00 C ATOM 3257 HD2 PHE 206 3.827 2.348 13.728 1.00001.00 H ATOM 3258 CE1 PHE 206 3.134 1.570 9.971 1.00001.00 C ATOM 3259 HE1 PHE 206 2.948 1.340 8.922 1.00001.00 H ATOM 3260 CE2 PHE 206 2.402 1.568 12.292 1.00001.00 C ATOM 3261 HE2 PHE 206 1.644 1.342 13.042 1.00001.00 H ATOM 3262 CZ PHE 206 2.152 1.292 10.935 1.00001.00 C ATOM 3263 HZ PHE 206 1.196 0.863 10.633 1.00001.00 H ATOM 3264 C PHE 206 7.437 1.181 11.266 1.00001.00 C ATOM 3265 O PHE 206 7.054 0.020 11.166 1.00001.00 O ATOM 3266 N LEU 207 8.285 1.729 10.389 1.00001.00 N ATOM 3267 HN LEU 207 8.666 2.638 10.562 1.00001.00 H ATOM 3268 CA LEU 207 8.716 1.077 9.143 1.00001.00 C ATOM 3269 HA LEU 207 7.837 0.654 8.655 1.00001.00 H ATOM 3270 CB LEU 207 9.307 2.152 8.211 1.00001.00 C ATOM 3271 HB1 LEU 207 9.831 1.644 7.400 1.00001.00 H ATOM 3272 HB2 LEU 207 10.018 2.744 8.787 1.00001.00 H ATOM 3273 CG LEU 207 8.281 3.116 7.584 1.00001.00 C ATOM 3274 HG LEU 207 7.588 3.458 8.352 1.00001.00 H ATOM 3275 CD1 LEU 207 9.017 4.319 6.985 1.00001.00 C ATOM 3276 1HD1 LEU 207 9.522 4.868 7.780 1.00001.00 H ATOM 3277 2HD1 LEU 207 8.300 4.974 6.492 1.00001.00 H ATOM 3278 3HD1 LEU 207 9.752 3.972 6.260 1.00001.00 H ATOM 3279 CD2 LEU 207 7.468 2.452 6.474 1.00001.00 C ATOM 3280 1HD2 LEU 207 7.006 1.542 6.856 1.00001.00 H ATOM 3281 2HD2 LEU 207 8.124 2.206 5.640 1.00001.00 H ATOM 3282 3HD2 LEU 207 6.689 3.138 6.134 1.00001.00 H ATOM 3283 C LEU 207 9.741 -0.053 9.357 1.00001.00 C ATOM 3284 O LEU 207 9.724 -1.056 8.644 1.00001.00 O ATOM 3318 N SER 210 8.379 -3.818 10.130 1.00001.00 N ATOM 3319 HN SER 210 8.142 -2.873 10.363 1.00001.00 H ATOM 3320 CA SER 210 7.793 -4.335 8.890 1.00001.00 C ATOM 3321 HA SER 210 7.175 -5.202 9.120 1.00001.00 H ATOM 3322 CB SER 210 6.898 -3.263 8.262 1.00001.00 C ATOM 3323 HB1 SER 210 6.466 -3.652 7.340 1.00001.00 H ATOM 3324 HB2 SER 210 7.497 -2.381 8.038 1.00001.00 H ATOM 3325 OG SER 210 5.860 -2.907 9.145 1.00001.00 O ATOM 3326 HG SER 210 6.147 -2.163 9.697 1.00001.00 H ATOM 3327 C SER 210 8.887 -4.747 7.904 1.00001.00 C ATOM 3328 O SER 210 8.909 -5.888 7.435 1.00001.00 O ATOM 3929 N MET 250 10.655 -1.211 -3.000 1.00001.00 N ATOM 3930 HN MET 250 10.335 -2.091 -3.354 1.00001.00 H ATOM 3931 CA MET 250 9.847 -0.025 -3.313 1.00001.00 C ATOM 3932 HA MET 250 10.480 0.717 -3.799 1.00001.00 H ATOM 3933 CB MET 250 8.743 -0.370 -4.324 1.00001.00 C ATOM 3934 HB1 MET 250 8.098 0.499 -4.445 1.00001.00 H ATOM 3935 HB2 MET 250 8.161 -1.205 -3.934 1.00001.00 H ATOM 3936 CG MET 250 9.302 -0.762 -5.701 1.00001.00 C ATOM 3937 HG1 MET 250 9.953 -1.625 -5.564 1.00001.00 H ATOM 3938 HG2 MET 250 9.886 0.079 -6.077 1.00001.00 H ATOM 3939 SD MET 250 8.061 -1.189 -6.960 1.00001.00 S ATOM 3940 CE MET 250 7.765 -2.939 -6.587 1.00001.00 C ATOM 3941 HE1 MET 250 7.325 -3.029 -5.595 1.00001.00 H ATOM 3942 HE2 MET 250 8.711 -3.480 -6.616 1.00001.00 H ATOM 3943 HE3 MET 250 7.085 -3.356 -7.328 1.00001.00 H ATOM 3944 C MET 250 9.239 0.589 -2.046 1.00001.00 C ATOM 3945 O MET 250 9.383 1.793 -1.835 1.00001.00 O ATOM 3946 N PHE 251 8.640 -0.234 -1.179 1.00001.00 N ATOM 3947 HN PHE 251 8.605 -1.216 -1.365 1.00001.00 H ATOM 3948 CA PHE 251 8.010 0.213 0.065 1.00001.00 C ATOM 3949 HA PHE 251 7.236 0.942 -0.175 1.00001.00 H ATOM 3950 CB PHE 251 7.295 -0.978 0.723 1.00001.00 C ATOM 3951 HB1 PHE 251 8.047 -1.652 1.134 1.00001.00 H ATOM 3952 HB2 PHE 251 6.717 -1.501 -0.040 1.00001.00 H ATOM 3953 CG PHE 251 6.359 -0.558 1.837 1.00001.00 C ATOM 3954 CD1 PHE 251 6.848 -0.355 3.144 1.00001.00 C ATOM 3955 HD1 PHE 251 7.899 -0.541 3.365 1.00001.00 H ATOM 3956 CD2 PHE 251 4.999 -0.337 1.557 1.00001.00 C ATOM 3957 HD2 PHE 251 4.617 -0.504 0.551 1.00001.00 H ATOM 3958 CE1 PHE 251 5.983 0.086 4.159 1.00001.00 C ATOM 3959 HE1 PHE 251 6.359 0.242 5.170 1.00001.00 H ATOM 3960 CE2 PHE 251 4.134 0.100 2.574 1.00001.00 C ATOM 3961 HE2 PHE 251 3.079 0.264 2.358 1.00001.00 H ATOM 3962 CZ PHE 251 4.629 0.323 3.869 1.00001.00 C ATOM 3963 HZ PHE 251 3.963 0.684 4.652 1.00001.00 H ATOM 3964 C PHE 251 9.018 0.859 1.026 1.00001.00 C ATOM 3965 O PHE 251 8.904 2.037 1.367 1.00001.00 O ATOM 3966 N TYR 252 10.067 0.124 1.413 1.00001.00 N ATOM 3967 HN TYR 252 10.185 -0.804 1.059 1.00001.00 H ATOM 3968 CA TYR 252 11.070 0.633 2.350 1.00001.00 C ATOM 3969 HA TYR 252 10.559 1.020 3.232 1.00001.00 H ATOM 3970 CB TYR 252 11.969 -0.496 2.859 1.00001.00 C ATOM 3971 HB1 TYR 252 12.918 -0.067 3.180 1.00001.00 H ATOM 3972 HB2 TYR 252 12.145 -1.196 2.042 1.00001.00 H ATOM 3973 CG TYR 252 11.365 -1.253 4.017 1.00001.00 C ATOM 3974 CD1 TYR 252 11.643 -0.839 5.336 1.00001.00 C ATOM 3975 HD1 TYR 252 12.287 0.021 5.518 1.00001.00 H ATOM 3976 CD2 TYR 252 10.509 -2.343 3.780 1.00001.00 C ATOM 3977 HD2 TYR 252 10.283 -2.645 2.757 1.00001.00 H ATOM 3978 CE1 TYR 252 11.085 -1.542 6.420 1.00001.00 C ATOM 3979 HE1 TYR 252 11.295 -1.231 7.443 1.00001.00 H ATOM 3980 CE2 TYR 252 9.946 -3.042 4.861 1.00001.00 C ATOM 3981 HE2 TYR 252 9.277 -3.883 4.682 1.00001.00 H ATOM 3982 CZ TYR 252 10.250 -2.650 6.178 1.00001.00 C ATOM 3983 OH TYR 252 9.742 -3.348 7.214 1.00001.00 O ATOM 3984 HH TYR 252 9.168 -4.112 7.048 1.00001.00 H ATOM 3985 C TYR 252 11.922 1.750 1.751 1.00001.00 C ATOM 3986 O TYR 252 12.370 2.623 2.490 1.00001.00 O ATOM 3994 N ALA 254 10.731 4.169 -0.301 1.00001.00 N ATOM 3995 HN ALA 254 10.286 3.336 -0.628 1.00001.00 H ATOM 3996 CA ALA 254 9.883 5.341 -0.090 1.00001.00 C ATOM 3997 HA ALA 254 10.301 6.181 -0.646 1.00001.00 H ATOM 3998 CB ALA 254 8.508 5.060 -0.697 1.00001.00 C ATOM 3999 HB1 ALA 254 7.954 4.383 -0.045 1.00001.00 H ATOM 4000 HB2 ALA 254 8.630 4.602 -1.678 1.00001.00 H ATOM 4001 HB3 ALA 254 7.958 5.996 -0.798 1.00001.00 H ATOM 4002 C ALA 254 9.783 5.731 1.393 1.00001.00 C ATOM 4003 O ALA 254 9.966 6.901 1.731 1.00001.00 O ATOM 4004 N ALA 255 9.576 4.758 2.288 1.00001.00 N ATOM 4005 HN ALA 255 9.477 3.811 1.984 1.00001.00 H ATOM 4006 CA ALA 255 9.486 5.008 3.729 1.00001.00 C ATOM 4007 HA ALA 255 8.673 5.711 3.912 1.00001.00 H ATOM 4008 CB ALA 255 9.115 3.695 4.427 1.00001.00 C ATOM 4009 HB1 ALA 255 10.022 3.198 4.771 1.00001.00 H ATOM 4010 HB2 ALA 255 8.587 3.046 3.727 1.00001.00 H ATOM 4011 HB3 ALA 255 8.472 3.907 5.282 1.00001.00 H ATOM 4012 C ALA 255 10.788 5.595 4.303 1.00001.00 C ATOM 4013 O ALA 255 10.755 6.531 5.100 1.00001.00 O ATOM 4028 N PHE 257 13.020 7.390 2.590 1.00001.00 N ATOM 4029 HN PHE 257 12.639 6.689 1.988 1.00001.00 H ATOM 4030 CA PHE 257 13.109 8.756 2.082 1.00001.00 C ATOM 4031 HA PHE 257 14.145 9.090 2.154 1.00001.00 H ATOM 4032 CB PHE 257 12.764 8.766 0.589 1.00001.00 C ATOM 4033 HB1 PHE 257 12.469 9.778 0.306 1.00001.00 H ATOM 4034 HB2 PHE 257 11.932 8.084 0.418 1.00001.00 H ATOM 4035 CG PHE 257 13.927 8.340 -0.284 1.00001.00 C ATOM 4036 CD1 PHE 257 14.956 9.251 -0.595 1.00001.00 C ATOM 4037 HD1 PHE 257 14.898 10.277 -0.235 1.00001.00 H ATOM 4038 CD2 PHE 257 14.011 7.011 -0.739 1.00001.00 C ATOM 4039 HD2 PHE 257 13.220 6.303 -0.492 1.00001.00 H ATOM 4040 CE1 PHE 257 16.055 8.838 -1.368 1.00001.00 C ATOM 4041 HE1 PHE 257 16.846 9.546 -1.615 1.00001.00 H ATOM 4042 CE2 PHE 257 15.111 6.596 -1.508 1.00001.00 C ATOM 4043 HE2 PHE 257 15.174 5.567 -1.861 1.00001.00 H ATOM 4044 CZ PHE 257 16.132 7.510 -1.823 1.00001.00 C ATOM 4045 HZ PHE 257 16.986 7.190 -2.420 1.00001.00 H ATOM 4046 C PHE 257 12.221 9.731 2.867 1.00001.00 C ATOM 4047 O PHE 257 12.678 10.817 3.211 1.00001.00 O ATOM 4048 N MET 258 11.099 9.222 3.264 1.00001.00 N ATOM 4049 HN MET 258 10.774 8.303 3.040 1.00001.00 H ATOM 4050 CA MET 258 10.161 10.131 3.934 1.00001.00 C ATOM 4051 HA MET 258 10.242 11.115 3.472 1.00001.00 H ATOM 4052 CB MET 258 8.712 9.670 3.704 1.00001.00 C ATOM 4053 HB1 MET 258 8.051 10.258 4.340 1.00001.00 H ATOM 4054 HB2 MET 258 8.634 8.616 3.974 1.00001.00 H ATOM 4055 CG MET 258 8.272 9.838 2.248 1.00001.00 C ATOM 4056 HG1 MET 258 7.261 9.439 2.156 1.00001.00 H ATOM 4057 HG2 MET 258 8.950 9.255 1.624 1.00001.00 H ATOM 4058 SD MET 258 8.256 11.541 1.610 1.00001.00 S ATOM 4059 CE MET 258 6.764 12.202 2.414 1.00001.00 C ATOM 4060 HE1 MET 258 6.846 13.286 2.499 1.00001.00 H ATOM 4061 HE2 MET 258 6.663 11.766 3.409 1.00001.00 H ATOM 4062 HE3 MET 258 5.887 11.950 1.816 1.00001.00 H ATOM 4063 C MET 258 10.425 10.277 5.436 1.00001.00 C ATOM 4064 O MET 258 10.324 11.381 5.968 1.00001.00 O ATOM 4065 N TYR 259 10.867 9.073 6.214 1.00001.00 N ATOM 4066 HN TYR 259 11.106 8.229 5.735 1.00001.00 H ATOM 4067 CA TYR 259 10.872 9.052 7.682 1.00001.00 C ATOM 4068 HA TYR 259 10.465 9.998 8.037 1.00001.00 H ATOM 4069 CB TYR 259 9.923 7.957 8.180 1.00001.00 C ATOM 4070 HB1 TYR 259 10.226 7.675 9.188 1.00001.00 H ATOM 4071 HB2 TYR 259 10.019 7.096 7.517 1.00001.00 H ATOM 4072 CG TYR 259 8.466 8.364 8.221 1.00001.00 C ATOM 4073 CD1 TYR 259 7.776 8.397 9.449 1.00001.00 C ATOM 4074 HD1 TYR 259 8.285 8.118 10.371 1.00001.00 H ATOM 4075 CD2 TYR 259 7.807 8.717 7.029 1.00001.00 C ATOM 4076 HD2 TYR 259 8.351 8.714 6.085 1.00001.00 H ATOM 4077 CE1 TYR 259 6.423 8.792 9.484 1.00001.00 C ATOM 4078 HE1 TYR 259 5.891 8.850 10.433 1.00001.00 H ATOM 4079 CE2 TYR 259 6.449 9.075 7.055 1.00001.00 C ATOM 4080 HE2 TYR 259 5.930 9.321 6.130 1.00001.00 H ATOM 4081 CZ TYR 259 5.759 9.115 8.281 1.00001.00 C ATOM 4082 OH TYR 259 4.462 9.497 8.285 1.00001.00 O ATOM 4083 HH TYR 259 4.019 9.715 7.451 1.00001.00 H ATOM 4084 C TYR 259 12.246 8.861 8.314 1.00001.00 C ATOM 4085 O TYR 259 12.433 9.238 9.467 1.00001.00 O ATOM 4371 N TYR 278 5.535 4.102 -6.549 1.00001.00 N ATOM 4372 HN TYR 278 6.093 4.922 -6.434 1.00001.00 H ATOM 4373 CA TYR 278 4.804 3.573 -5.393 1.00001.00 C ATOM 4374 HA TYR 278 4.869 2.484 -5.410 1.00001.00 H ATOM 4375 CB TYR 278 5.540 3.878 -4.079 1.00001.00 C ATOM 4376 HB1 TYR 278 6.575 3.561 -4.202 1.00001.00 H ATOM 4377 HB2 TYR 278 5.069 3.287 -3.294 1.00001.00 H ATOM 4378 CG TYR 278 5.557 5.324 -3.611 1.00001.00 C ATOM 4379 CD1 TYR 278 6.643 6.168 -3.923 1.00001.00 C ATOM 4380 HD1 TYR 278 7.458 5.787 -4.537 1.00001.00 H ATOM 4381 CD2 TYR 278 4.524 5.807 -2.788 1.00001.00 C ATOM 4382 HD2 TYR 278 3.718 5.141 -2.476 1.00001.00 H ATOM 4383 CE1 TYR 278 6.682 7.496 -3.443 1.00001.00 C ATOM 4384 HE1 TYR 278 7.549 8.127 -3.639 1.00001.00 H ATOM 4385 CE2 TYR 278 4.530 7.147 -2.368 1.00001.00 C ATOM 4386 HE2 TYR 278 3.699 7.521 -1.770 1.00001.00 H ATOM 4387 CZ TYR 278 5.591 8.004 -2.709 1.00001.00 C ATOM 4388 OH TYR 278 5.497 9.316 -2.358 1.00001.00 O ATOM 4389 HH TYR 278 6.198 9.937 -2.615 1.00001.00 H ATOM 4390 C TYR 278 3.322 3.972 -5.378 1.00001.00 C ATOM 4391 O TYR 278 2.506 3.212 -4.877 1.00001.00 O TER END 9 pose(s) found. Calculation took: 921 seconds.