COMPND /tmp/interactions/results/7K15/ligand/VRJ_7K15.pdb AUTHOR GENERATED BY OPEN BABEL 2.3.2 HETATM 1 O5 VRJ A2101 1.772 -13.530 20.916 1.00 0.00 O HETATM 2 O4 VRJ A2101 2.541 -15.635 19.784 1.00 0.00 O HETATM 3 C4 VRJ A2101 3.689 -8.905 17.217 1.00 0.00 C HETATM 4 C3 VRJ A2101 3.857 -7.937 18.205 1.00 0.00 C HETATM 5 O3 VRJ A2101 3.873 -13.189 18.443 1.00 0.00 O HETATM 6 C2 VRJ A2101 3.200 -8.046 19.434 1.00 0.00 C HETATM 7 O2 VRJ A2101 4.508 -7.407 21.288 1.00 0.00 O HETATM 8 C1 VRJ A2101 2.370 -9.152 19.647 1.00 0.00 C HETATM 9 O1 VRJ A2101 1.658 -9.365 20.837 1.00 0.00 O HETATM 10 C10 VRJ A2101 2.013 -3.917 20.731 1.00 0.00 C HETATM 11 C11 VRJ A2101 2.432 -2.784 20.037 1.00 0.00 C HETATM 12 C12 VRJ A2101 2.278 -2.728 18.657 1.00 0.00 C HETATM 13 C13 VRJ A2101 1.713 -3.826 18.019 1.00 0.00 C HETATM 14 C14 VRJ A2101 2.206 -10.113 18.651 1.00 0.00 C HETATM 15 C15 VRJ A2101 2.861 -10.023 17.412 1.00 0.00 C HETATM 16 C16 VRJ A2101 2.707 -11.030 16.347 1.00 0.00 C HETATM 17 C17 VRJ A2101 2.593 -10.558 15.029 1.00 0.00 C HETATM 18 C18 VRJ A2101 2.455 -11.417 13.947 1.00 0.00 C HETATM 19 C19 VRJ A2101 2.679 -12.452 16.520 1.00 0.00 C HETATM 20 C20 VRJ A2101 2.543 -13.304 15.409 1.00 0.00 C HETATM 21 C21 VRJ A2101 2.429 -12.790 14.124 1.00 0.00 C HETATM 22 C22 VRJ A2101 2.804 -13.131 17.848 1.00 0.00 C HETATM 23 C23 VRJ A2101 -0.077 -15.200 20.005 1.00 0.00 C HETATM 24 C24 VRJ A2101 -1.067 -14.155 19.475 1.00 0.00 C HETATM 25 C25 VRJ A2101 -0.411 -15.496 21.476 1.00 0.00 C HETATM 26 C26 VRJ A2101 -0.229 -16.477 19.166 1.00 0.00 C HETATM 27 C5 VRJ A2101 3.379 -7.016 20.509 1.00 0.00 C HETATM 28 C6 VRJ A2101 2.154 -6.954 21.430 1.00 0.00 C HETATM 29 C7 VRJ A2101 1.811 -8.383 21.885 1.00 0.00 C HETATM 30 C8 VRJ A2101 0.986 -6.226 20.732 1.00 0.00 C HETATM 31 C9 VRJ A2101 1.451 -4.982 20.014 1.00 0.00 C HETATM 32 F1 VRJ A2101 2.345 -10.903 12.711 1.00 0.00 F HETATM 33 N1 VRJ A2101 1.301 -4.943 18.662 1.00 0.00 N HETATM 34 N2 VRJ A2101 1.605 -13.709 18.372 1.00 0.00 N HETATM 35 S1 VRJ A2101 1.610 -14.527 19.877 1.00 0.00 S ATOM 85 N LEU A 25 -0.815 -5.507 8.452 1.00 67.88 N ATOM 86 CA LEU A 25 0.563 -5.106 8.710 1.00 69.38 C ATOM 87 C LEU A 25 1.180 -4.450 7.484 1.00 89.77 C ATOM 88 O LEU A 25 1.951 -3.491 7.608 1.00 90.92 O ATOM 89 CB LEU A 25 1.397 -6.310 9.140 1.00 70.20 C ATOM 90 CG LEU A 25 1.558 -6.525 10.644 1.00 64.97 C ATOM 91 CD1 LEU A 25 0.320 -7.174 11.235 1.00 80.79 C ATOM 92 CD2 LEU A 25 2.803 -7.349 10.930 1.00 70.23 C ATOM 385 N VAL A 67 7.608 0.685 15.940 1.00 59.41 N ATOM 386 CA VAL A 67 6.820 -0.539 15.861 1.00 54.57 C ATOM 387 C VAL A 67 6.616 -0.951 14.409 1.00 60.49 C ATOM 388 O VAL A 67 6.518 -2.145 14.100 1.00 70.58 O ATOM 389 CB VAL A 67 5.482 -0.362 16.608 1.00 34.26 C ATOM 390 CG1 VAL A 67 4.727 0.829 16.074 1.00 70.23 C ATOM 391 CG2 VAL A 67 4.639 -1.614 16.493 1.00 52.05 C ATOM 438 N PHE A 74 7.631 -9.565 11.285 1.00 53.56 N ATOM 439 CA PHE A 74 6.415 -10.331 11.520 1.00 60.55 C ATOM 440 C PHE A 74 5.672 -10.662 10.233 1.00 81.83 C ATOM 441 O PHE A 74 4.745 -11.478 10.265 1.00 80.89 O ATOM 442 CB PHE A 74 5.488 -9.577 12.476 1.00 75.70 C ATOM 443 CG PHE A 74 6.108 -9.287 13.817 1.00 76.16 C ATOM 444 CD1 PHE A 74 6.376 -10.315 14.708 1.00 61.79 C ATOM 445 CD2 PHE A 74 6.419 -7.989 14.188 1.00 49.60 C ATOM 446 CE1 PHE A 74 6.947 -10.053 15.941 1.00 56.94 C ATOM 447 CE2 PHE A 74 6.990 -7.721 15.417 1.00 56.45 C ATOM 448 CZ PHE A 74 7.254 -8.754 16.295 1.00 57.61 C ATOM 467 N PHE A 77 7.551 -13.915 9.244 1.00 60.21 N ATOM 468 CA PHE A 77 7.021 -14.989 10.077 1.00 81.97 C ATOM 469 C PHE A 77 5.693 -15.498 9.530 1.00 91.21 C ATOM 470 O PHE A 77 5.492 -16.710 9.385 1.00 96.76 O ATOM 471 CB PHE A 77 6.861 -14.507 11.519 1.00 72.60 C ATOM 472 CG PHE A 77 6.254 -15.532 12.437 1.00 71.90 C ATOM 473 CD1 PHE A 77 7.049 -16.483 13.053 1.00 76.43 C ATOM 474 CD2 PHE A 77 4.890 -15.542 12.685 1.00 75.39 C ATOM 475 CE1 PHE A 77 6.497 -17.424 13.895 1.00 78.22 C ATOM 476 CE2 PHE A 77 4.334 -16.481 13.525 1.00 85.66 C ATOM 477 CZ PHE A 77 5.138 -17.422 14.131 1.00100.32 C ATOM 478 N LEU A 78 4.765 -14.584 9.228 1.00 79.10 N ATOM 479 CA LEU A 78 3.491 -14.998 8.650 1.00 75.35 C ATOM 480 C LEU A 78 3.689 -15.663 7.294 1.00 85.47 C ATOM 481 O LEU A 78 2.919 -16.557 6.925 1.00 99.52 O ATOM 482 CB LEU A 78 2.548 -13.797 8.519 1.00 83.81 C ATOM 483 CG LEU A 78 2.061 -13.144 9.820 1.00 71.15 C ATOM 484 CD1 LEU A 78 1.576 -11.715 9.589 1.00 59.81 C ATOM 485 CD2 LEU A 78 0.971 -13.976 10.483 1.00 74.03 C ATOM 594 N HIS A 94 9.608 -7.879 19.971 1.00 66.57 N ATOM 595 CA HIS A 94 8.465 -7.713 20.858 1.00 49.13 C ATOM 596 C HIS A 94 8.705 -6.665 21.935 1.00 51.79 C ATOM 597 O HIS A 94 7.735 -6.128 22.481 1.00 62.89 O ATOM 598 CB HIS A 94 8.100 -9.050 21.507 1.00 51.56 C ATOM 599 CG HIS A 94 7.265 -9.932 20.635 1.00 56.51 C ATOM 600 ND1 HIS A 94 6.023 -9.557 20.171 1.00 64.58 N ATOM 601 CD2 HIS A 94 7.490 -11.172 20.144 1.00 64.15 C ATOM 602 CE1 HIS A 94 5.519 -10.529 19.432 1.00 59.46 C ATOM 603 NE2 HIS A 94 6.391 -11.520 19.398 1.00 61.58 N ATOM 623 N CYS A 97 8.011 -3.234 20.395 1.00 42.62 N ATOM 624 CA CYS A 97 6.571 -3.071 20.242 1.00 44.82 C ATOM 625 C CYS A 97 5.930 -2.660 21.560 1.00 51.29 C ATOM 626 O CYS A 97 5.080 -1.763 21.592 1.00 36.25 O ATOM 627 CB CYS A 97 5.943 -4.362 19.722 1.00 51.66 C ATOM 628 SG CYS A 97 6.281 -4.710 17.984 1.00 57.61 S ATOM 646 N MET A 101 3.790 0.868 22.691 1.00 45.37 N ATOM 647 CA MET A 101 2.466 0.954 23.292 1.00 45.57 C ATOM 648 C MET A 101 2.476 1.881 24.501 1.00 46.72 C ATOM 649 O MET A 101 1.750 2.880 24.538 1.00 62.89 O ATOM 650 CB MET A 101 1.983 -0.442 23.684 1.00 44.95 C ATOM 651 CG MET A 101 0.619 -0.458 24.343 1.00 41.99 C ATOM 652 SD MET A 101 0.469 -1.833 25.496 1.00 51.25 S ATOM 653 CE MET A 101 1.070 -3.192 24.495 1.00 84.26 C ATOM 1084 N ARG A 156 9.025 -14.006 26.291 1.00 53.17 N ATOM 1085 CA ARG A 156 9.064 -14.413 24.896 1.00 71.64 C ATOM 1086 C ARG A 156 10.203 -15.395 24.669 1.00 75.78 C ATOM 1087 O ARG A 156 11.258 -15.309 25.303 1.00 67.78 O ATOM 1088 CB ARG A 156 9.227 -13.203 23.974 1.00 59.09 C ATOM 1089 CG ARG A 156 7.985 -12.335 23.869 1.00 64.35 C ATOM 1090 CD ARG A 156 6.900 -13.013 23.047 1.00 72.79 C ATOM 1091 NE ARG A 156 5.612 -12.334 23.157 1.00 62.38 N ATOM 1092 CZ ARG A 156 4.593 -12.536 22.328 1.00 61.23 C ATOM 1093 NH1 ARG A 156 3.452 -11.881 22.499 1.00 76.31 N ATOM 1094 NH2 ARG A 156 4.719 -13.386 21.320 1.00 73.04 N ATOM 1179 N CYS A 168 7.695 -17.682 17.621 1.00 89.39 N ATOM 1180 CA CYS A 168 7.971 -16.617 18.585 1.00 63.88 C ATOM 1181 C CYS A 168 6.723 -16.451 19.445 1.00 58.15 C ATOM 1182 O CYS A 168 5.900 -15.559 19.237 1.00 78.11 O ATOM 1183 CB CYS A 168 8.344 -15.327 17.864 1.00 55.73 C ATOM 1184 SG CYS A 168 8.689 -13.900 18.916 1.00 80.08 S ATOM 1185 N PHE A 169 6.580 -17.350 20.425 1.00 53.01 N ATOM 1186 CA PHE A 169 5.417 -17.530 21.279 1.00 53.60 C ATOM 1187 C PHE A 169 5.708 -17.023 22.686 1.00 54.94 C ATOM 1188 O PHE A 169 6.850 -17.118 23.150 1.00 77.34 O ATOM 1189 CB PHE A 169 5.031 -19.016 21.331 1.00 90.85 C ATOM 1190 CG PHE A 169 3.644 -19.281 21.863 1.00 80.40 C ATOM 1191 CD1 PHE A 169 2.543 -19.266 21.016 1.00 63.76 C ATOM 1192 CD2 PHE A 169 3.446 -19.580 23.202 1.00 73.91 C ATOM 1193 CE1 PHE A 169 1.272 -19.523 21.503 1.00 79.05 C ATOM 1194 CE2 PHE A 169 2.181 -19.837 23.693 1.00 82.00 C ATOM 1195 CZ PHE A 169 1.091 -19.809 22.843 1.00 85.03 C ATOM 1196 N PRO A 170 4.708 -16.477 23.388 1.00 55.63 N ATOM 1197 CA PRO A 170 4.908 -16.062 24.782 1.00 58.16 C ATOM 1198 C PRO A 170 4.794 -17.249 25.728 1.00 56.94 C ATOM 1199 O PRO A 170 3.707 -17.788 25.947 1.00 80.07 O ATOM 1200 CB PRO A 170 3.782 -15.042 25.003 1.00 49.10 C ATOM 1201 CG PRO A 170 2.706 -15.468 24.073 1.00 62.81 C ATOM 1202 CD PRO A 170 3.389 -16.068 22.872 1.00 81.82 C ATOM 1328 N GLU A 185 -0.341 -5.219 31.783 1.00 45.32 N ATOM 1329 CA GLU A 185 -0.366 -4.568 30.480 1.00 49.14 C ATOM 1330 C GLU A 185 -1.651 -3.772 30.286 1.00 53.20 C ATOM 1331 O GLU A 185 -1.617 -2.647 29.777 1.00 71.01 O ATOM 1332 CB GLU A 185 -0.191 -5.617 29.385 1.00 53.63 C ATOM 1333 CG GLU A 185 -0.027 -5.069 27.991 1.00 61.38 C ATOM 1334 CD GLU A 185 0.269 -6.158 26.987 1.00 75.10 C ATOM 1335 OE1 GLU A 185 0.735 -7.239 27.405 1.00 73.18 O ATOM 1336 OE2 GLU A 185 0.029 -5.937 25.784 1.00 89.28 O ATOM 2831 N TRP A 234 -6.897 0.050 20.710 1.00 65.70 N ATOM 2832 CA TRP A 234 -6.272 -0.526 21.893 1.00 44.32 C ATOM 2833 C TRP A 234 -7.259 -0.933 22.973 1.00 60.66 C ATOM 2834 O TRP A 234 -6.968 -1.863 23.731 1.00 75.76 O ATOM 2835 CB TRP A 234 -5.252 0.455 22.476 1.00 49.05 C ATOM 2836 CG TRP A 234 -4.041 0.566 21.619 1.00 60.04 C ATOM 2837 CD1 TRP A 234 -3.741 1.567 20.742 1.00 64.45 C ATOM 2838 CD2 TRP A 234 -2.974 -0.380 21.531 1.00 57.70 C ATOM 2839 NE1 TRP A 234 -2.542 1.310 20.123 1.00 49.99 N ATOM 2840 CE2 TRP A 234 -2.051 0.119 20.590 1.00 60.36 C ATOM 2841 CE3 TRP A 234 -2.706 -1.599 22.160 1.00 57.43 C ATOM 2842 CZ2 TRP A 234 -0.879 -0.557 20.266 1.00 66.01 C ATOM 2843 CZ3 TRP A 234 -1.543 -2.270 21.837 1.00 49.46 C ATOM 2844 CH2 TRP A 234 -0.644 -1.747 20.899 1.00 67.32 C ATOM 2860 N TYR A 237 -8.133 -4.475 22.287 1.00 62.06 N ATOM 2861 CA TYR A 237 -6.987 -5.345 22.514 1.00 54.12 C ATOM 2862 C TYR A 237 -6.768 -5.610 23.996 1.00 69.73 C ATOM 2863 O TYR A 237 -6.334 -6.703 24.371 1.00 82.87 O ATOM 2864 CB TYR A 237 -5.735 -4.732 21.890 1.00 60.53 C ATOM 2865 CG TYR A 237 -4.451 -5.438 22.263 1.00 69.68 C ATOM 2866 CD1 TYR A 237 -4.027 -6.563 21.568 1.00 67.03 C ATOM 2867 CD2 TYR A 237 -3.659 -4.975 23.306 1.00 68.37 C ATOM 2868 CE1 TYR A 237 -2.853 -7.209 21.905 1.00 67.77 C ATOM 2869 CE2 TYR A 237 -2.488 -5.616 23.651 1.00 62.22 C ATOM 2870 CZ TYR A 237 -2.088 -6.730 22.947 1.00 62.32 C ATOM 2871 OH TYR A 237 -0.919 -7.370 23.286 1.00 74.16 O ATOM 3062 N ARG A 267 -7.498 -12.017 19.817 1.00 81.27 N ATOM 3063 CA ARG A 267 -6.199 -11.402 20.072 1.00 76.68 C ATOM 3064 C ARG A 267 -5.349 -11.358 18.809 1.00 78.79 C ATOM 3065 O ARG A 267 -4.637 -10.378 18.572 1.00 79.79 O ATOM 3066 CB ARG A 267 -5.460 -12.158 21.181 1.00 82.96 C ATOM 3067 CG ARG A 267 -4.003 -11.734 21.349 1.00 83.32 C ATOM 3068 CD ARG A 267 -3.287 -12.625 22.345 1.00100.55 C ATOM 3069 NE ARG A 267 -3.763 -12.442 23.713 1.00 95.16 N ATOM 3070 CZ ARG A 267 -3.378 -11.451 24.511 1.00 94.08 C ATOM 3071 NH1 ARG A 267 -2.524 -10.537 24.072 1.00 83.92 N ATOM 3072 NH2 ARG A 267 -3.851 -11.368 25.747 1.00 89.90 N ATOM 3073 N ASN A 268 -5.426 -12.396 17.972 1.00 82.16 N ATOM 3074 CA ASN A 268 -4.579 -12.429 16.784 1.00 88.48 C ATOM 3075 C ASN A 268 -5.030 -11.407 15.748 1.00 68.99 C ATOM 3076 O ASN A 268 -4.228 -10.971 14.911 1.00 71.36 O ATOM 3077 CB ASN A 268 -4.557 -13.834 16.177 1.00 90.19 C ATOM 3078 CG ASN A 268 -3.639 -14.770 16.923 1.00 88.84 C ATOM 3079 OD1 ASN A 268 -2.441 -14.842 16.637 1.00106.48 O ATOM 3080 ND2 ASN A 268 -4.191 -15.490 17.893 1.00 82.85 N ATOM 3096 N ILE A 271 -4.012 -7.775 17.274 1.00 63.37 N ATOM 3097 CA ILE A 271 -2.577 -7.525 17.178 1.00 57.30 C ATOM 3098 C ILE A 271 -2.239 -6.876 15.843 1.00 64.60 C ATOM 3099 O ILE A 271 -1.443 -5.931 15.778 1.00 62.83 O ATOM 3100 CB ILE A 271 -1.797 -8.834 17.394 1.00 60.21 C ATOM 3101 CG1 ILE A 271 -1.759 -9.183 18.884 1.00 64.70 C ATOM 3102 CG2 ILE A 271 -0.396 -8.723 16.815 1.00 69.90 C ATOM 3103 CD1 ILE A 271 -1.240 -10.571 19.185 1.00 50.45 C ATOM 3117 N ALA A 274 -3.346 -3.408 15.950 1.00 56.57 N ATOM 3118 CA ALA A 274 -2.456 -2.564 16.740 1.00 60.21 C ATOM 3119 C ALA A 274 -1.362 -1.957 15.870 1.00 72.86 C ATOM 3120 O ALA A 274 -1.012 -0.781 16.029 1.00 78.40 O ATOM 3121 CB ALA A 274 -1.849 -3.367 17.890 1.00 62.74 C ATOM 3122 N PHE A 275 -0.809 -2.745 14.943 1.00 68.43 N ATOM 3123 CA PHE A 275 0.148 -2.197 13.987 1.00 65.23 C ATOM 3124 C PHE A 275 -0.497 -1.144 13.100 1.00 71.66 C ATOM 3125 O PHE A 275 0.192 -0.252 12.590 1.00 66.50 O ATOM 3126 CB PHE A 275 0.741 -3.318 13.133 1.00 56.09 C ATOM 3127 CG PHE A 275 1.771 -4.141 13.847 1.00 67.35 C ATOM 3128 CD1 PHE A 275 1.397 -5.231 14.613 1.00 68.91 C ATOM 3129 CD2 PHE A 275 3.117 -3.822 13.751 1.00 59.33 C ATOM 3130 CE1 PHE A 275 2.345 -5.990 15.274 1.00 63.47 C ATOM 3131 CE2 PHE A 275 4.069 -4.577 14.406 1.00 66.71 C ATOM 3132 CZ PHE A 275 3.683 -5.662 15.170 1.00 57.93 C CONECT 1 35 CONECT 2 35 CONECT 3 15 4 36 CONECT 4 3 6 37 CONECT 5 22 CONECT 6 4 8 27 CONECT 7 27 38 CONECT 8 14 6 9 CONECT 9 8 29 CONECT 10 31 11 39 CONECT 11 12 10 40 CONECT 12 13 11 41 CONECT 13 12 33 42 CONECT 14 15 8 43 CONECT 15 16 3 14 CONECT 16 17 19 15 CONECT 17 18 16 44 CONECT 18 32 21 17 CONECT 19 20 16 22 CONECT 20 21 19 45 CONECT 21 18 20 46 CONECT 22 19 34 5 CONECT 23 26 24 35 25 CONECT 23 CONECT 24 23 47 48 49 CONECT 24 CONECT 25 23 50 51 52 CONECT 25 CONECT 26 23 53 54 55 CONECT 26 CONECT 27 6 7 28 56 CONECT 27 CONECT 28 27 30 29 57 CONECT 28 CONECT 29 9 28 58 59 CONECT 29 CONECT 30 31 28 60 61 CONECT 30 CONECT 31 33 10 30 CONECT 32 18 CONECT 33 13 31 CONECT 34 22 35 62 CONECT 35 34 2 23 1 CONECT 35 CONECT 36 3 CONECT 37 4 CONECT 38 7 CONECT 39 10 CONECT 40 11 CONECT 41 12 CONECT 42 13 CONECT 43 14 CONECT 44 17 CONECT 45 20 CONECT 46 21 CONECT 47 24 CONECT 48 24 CONECT 49 24 CONECT 50 25 CONECT 51 25 CONECT 52 25 CONECT 53 26 CONECT 54 26 CONECT 55 26 CONECT 56 27 CONECT 57 28 CONECT 58 29 CONECT 59 29 CONECT 60 30 CONECT 61 30 CONECT 62 34 MASTER 0 0 0 0 0 0 0 0 62 0 62 0 END