COMPND /tmp/interactions/results/4PHU/ligand/2YB_4PHU.pdb AUTHOR GENERATED BY OPEN BABEL 2.3.2 HETATM 1 C4 2YB A2401 -54.997 -0.871 59.686 1.00 0.00 C HETATM 2 C6 2YB A2401 -56.344 0.857 60.702 1.00 0.00 C HETATM 3 C7 2YB A2401 -57.779 1.002 61.205 1.00 0.00 C HETATM 4 C8 2YB A2401 -57.736 1.058 62.732 1.00 0.00 C HETATM 5 C10 2YB A2401 -60.581 1.275 62.705 1.00 0.00 C HETATM 6 C13 2YB A2401 -54.633 -2.207 59.599 1.00 0.00 C HETATM 7 C15 2YB A2401 -53.178 -4.055 58.816 1.00 0.00 C HETATM 8 C17 2YB A2401 -51.576 -2.001 57.399 1.00 0.00 C HETATM 9 C20 2YB A2401 -49.272 -2.714 56.014 1.00 0.00 C HETATM 10 C21 2YB A2401 -49.155 -2.082 57.245 1.00 0.00 C HETATM 11 C22 2YB A2401 -47.784 -1.791 57.818 1.00 0.00 C HETATM 12 C24 2YB A2401 -46.108 -2.989 59.147 1.00 0.00 C HETATM 13 C26 2YB A2401 -44.033 -1.985 59.809 1.00 0.00 C HETATM 14 C28 2YB A2401 -42.246 -3.612 60.817 1.00 0.00 C HETATM 15 C1 2YB A2401 -52.391 0.844 57.556 1.00 0.00 C HETATM 16 C2 2YB A2401 -53.153 -0.256 58.262 1.00 0.00 C HETATM 17 C3 2YB A2401 -54.253 0.097 59.014 1.00 0.00 C HETATM 18 O5 2YB A2401 -56.090 -0.531 60.425 1.00 0.00 O HETATM 19 S9 2YB A2401 -59.229 0.337 63.485 1.00 0.00 S HETATM 20 O11 2YB A2401 -59.343 -1.034 63.108 1.00 0.00 O HETATM 21 O12 2YB A2401 -59.177 0.665 64.873 1.00 0.00 O HETATM 22 C14 2YB A2401 -53.530 -2.582 58.862 1.00 0.00 C HETATM 23 C16 2YB A2401 -52.779 -1.608 58.184 1.00 0.00 C HETATM 24 C18 2YB A2401 -51.686 -2.629 56.152 1.00 0.00 C HETATM 25 C19 2YB A2401 -50.530 -2.979 55.476 1.00 0.00 C HETATM 26 O23 2YB A2401 -47.360 -2.908 58.618 1.00 0.00 O HETATM 27 C25 2YB A2401 -45.308 -1.855 59.273 1.00 0.00 C HETATM 28 C27 2YB A2401 -43.569 -3.214 60.219 1.00 0.00 C HETATM 29 C30 2YB A2401 -41.221 -3.391 59.709 1.00 0.00 C HETATM 30 C31 2YB A2401 -39.802 -3.304 60.195 1.00 0.00 C HETATM 31 O32 2YB A2401 -39.435 -3.002 61.467 1.00 0.00 O1- HETATM 32 O33 2YB A2401 -38.974 -3.532 59.343 1.00 0.00 O HETATM 33 C34 2YB A2401 -42.431 -5.117 61.153 1.00 0.00 C HETATM 34 O35 2YB A2401 -43.698 -5.466 60.548 1.00 0.00 O HETATM 35 C36 2YB A2401 -44.348 -4.355 60.098 1.00 0.00 C HETATM 36 C37 2YB A2401 -45.633 -4.231 59.564 1.00 0.00 C HETATM 37 C38 2YB A2401 -50.304 -1.733 57.950 1.00 0.00 C ATOM 568 N PRO A 80 -50.425 3.895 62.105 1.00 37.91 N ATOM 569 CA PRO A 80 -50.584 2.859 61.070 1.00 38.10 C ATOM 570 C PRO A 80 -50.384 3.344 59.633 1.00 37.88 C ATOM 571 O PRO A 80 -49.817 2.629 58.820 1.00 38.10 O ATOM 572 CB PRO A 80 -52.026 2.380 61.259 1.00 39.44 C ATOM 573 CG PRO A 80 -52.380 2.755 62.660 1.00 40.61 C ATOM 574 CD PRO A 80 -51.641 4.033 62.925 1.00 39.67 C ATOM 575 N VAL A 81 -50.873 4.533 59.317 1.00 38.56 N ATOM 576 CA VAL A 81 -50.611 5.129 58.020 1.00 37.99 C ATOM 577 C VAL A 81 -49.100 5.322 57.852 1.00 35.75 C ATOM 578 O VAL A 81 -48.551 5.047 56.787 1.00 33.47 O ATOM 579 CB VAL A 81 -51.334 6.483 57.846 1.00 39.79 C ATOM 580 CG1 VAL A 81 -50.942 7.137 56.529 1.00 39.35 C ATOM 581 CG2 VAL A 81 -52.842 6.290 57.907 1.00 41.59 C ATOM 593 N ALA A 83 -46.788 3.639 59.382 1.00 34.94 N ATOM 594 CA ALA A 83 -46.214 2.307 59.312 1.00 35.46 C ATOM 595 C ALA A 83 -46.118 1.839 57.857 1.00 34.72 C ATOM 596 O ALA A 83 -45.057 1.453 57.386 1.00 32.01 O ATOM 597 CB ALA A 83 -47.046 1.334 60.131 1.00 36.16 C ATOM 598 N VAL A 84 -47.242 1.883 57.161 1.00 35.79 N ATOM 599 CA VAL A 84 -47.295 1.400 55.794 1.00 37.17 C ATOM 600 C VAL A 84 -46.513 2.308 54.848 1.00 35.58 C ATOM 601 O VAL A 84 -45.674 1.825 54.092 1.00 35.85 O ATOM 602 CB VAL A 84 -48.746 1.170 55.309 1.00 38.85 C ATOM 603 CG1 VAL A 84 -49.524 2.481 55.186 1.00 39.02 C ATOM 604 CG2 VAL A 84 -48.733 0.414 53.987 1.00 39.20 C ATOM 620 N PHE A 87 -42.541 1.742 55.717 1.00 34.12 N ATOM 621 CA PHE A 87 -41.857 0.469 55.578 1.00 33.36 C ATOM 622 C PHE A 87 -42.213 -0.315 54.319 1.00 32.18 C ATOM 623 O PHE A 87 -41.378 -1.069 53.837 1.00 31.68 O ATOM 624 CB PHE A 87 -42.047 -0.379 56.836 1.00 34.24 C ATOM 625 CG PHE A 87 -41.267 0.124 58.003 1.00 34.39 C ATOM 626 CD1 PHE A 87 -39.941 -0.255 58.180 1.00 34.74 C ATOM 627 CD2 PHE A 87 -41.837 1.005 58.900 1.00 34.93 C ATOM 628 CE1 PHE A 87 -39.213 0.202 59.259 1.00 34.69 C ATOM 629 CE2 PHE A 87 -41.112 1.478 59.979 1.00 35.80 C ATOM 630 CZ PHE A 87 -39.793 1.076 60.153 1.00 35.81 C ATOM 651 N TYR A 91 -39.073 -1.936 51.696 1.00 37.43 N ATOM 652 CA TYR A 91 -38.917 -3.312 51.244 1.00 35.57 C ATOM 653 C TYR A 91 -39.194 -3.464 49.730 1.00 35.37 C ATOM 654 O TYR A 91 -38.422 -4.125 49.026 1.00 34.28 O ATOM 655 CB TYR A 91 -39.827 -4.227 52.061 1.00 35.08 C ATOM 656 CG TYR A 91 -39.343 -4.459 53.469 1.00 34.41 C ATOM 657 CD1 TYR A 91 -38.312 -5.362 53.731 1.00 35.45 C ATOM 658 CD2 TYR A 91 -39.922 -3.795 54.540 1.00 34.18 C ATOM 659 CE1 TYR A 91 -37.860 -5.575 55.022 1.00 36.19 C ATOM 660 CE2 TYR A 91 -39.488 -4.006 55.832 1.00 34.50 C ATOM 661 CZ TYR A 91 -38.461 -4.898 56.071 1.00 35.84 C ATOM 662 OH TYR A 91 -38.032 -5.104 57.356 1.00 37.58 O ATOM 916 N LEU A 135 -47.421 -5.841 51.144 1.00 33.04 N ATOM 917 CA LEU A 135 -48.592 -5.350 51.862 1.00 34.72 C ATOM 918 C LEU A 135 -49.273 -6.431 52.679 1.00 34.70 C ATOM 919 O LEU A 135 -49.706 -6.168 53.800 1.00 33.53 O ATOM 920 CB LEU A 135 -49.594 -4.661 50.916 1.00 35.98 C ATOM 921 CG LEU A 135 -49.045 -3.344 50.342 1.00 36.29 C ATOM 922 CD1 LEU A 135 -49.891 -2.858 49.165 1.00 37.84 C ATOM 923 CD2 LEU A 135 -48.956 -2.271 51.422 1.00 36.87 C ATOM 940 N LEU A 138 -46.508 -7.269 55.632 1.00 31.66 N ATOM 941 CA LEU A 138 -46.477 -6.259 56.667 1.00 31.72 C ATOM 942 C LEU A 138 -47.838 -6.127 57.320 1.00 32.56 C ATOM 943 O LEU A 138 -47.927 -6.028 58.535 1.00 32.92 O ATOM 944 CB LEU A 138 -46.011 -4.929 56.104 1.00 30.71 C ATOM 945 CG LEU A 138 -44.568 -4.947 55.605 1.00 30.95 C ATOM 946 CD1 LEU A 138 -44.274 -3.663 54.849 1.00 31.32 C ATOM 947 CD2 LEU A 138 -43.569 -5.138 56.729 1.00 31.36 C ATOM 948 N GLY A 139 -48.891 -6.163 56.512 1.00 32.90 N ATOM 949 CA GLY A 139 -50.241 -5.943 56.999 1.00 34.33 C ATOM 950 C GLY A 139 -50.733 -7.040 57.908 1.00 36.02 C ATOM 951 O GLY A 139 -51.398 -6.782 58.904 1.00 36.25 O ATOM 960 N VAL A 141 -48.858 -9.277 59.676 1.00 38.28 N ATOM 961 CA VAL A 141 -48.111 -9.270 60.928 1.00 38.43 C ATOM 962 C VAL A 141 -48.549 -8.114 61.830 1.00 38.66 C ATOM 963 O VAL A 141 -48.807 -8.311 63.024 1.00 38.51 O ATOM 964 CB VAL A 141 -46.604 -9.165 60.685 1.00 38.26 C ATOM 965 CG1 VAL A 141 -45.859 -8.944 61.992 1.00 39.57 C ATOM 966 CG2 VAL A 141 -46.091 -10.425 59.993 1.00 39.59 C ATOM 967 N PHE A 142 -48.626 -6.922 61.243 1.00 36.86 N ATOM 968 CA PHE A 142 -49.075 -5.714 61.930 1.00 37.43 C ATOM 969 C PHE A 142 -50.499 -5.830 62.450 1.00 39.44 C ATOM 970 O PHE A 142 -50.750 -5.595 63.622 1.00 41.51 O ATOM 971 CB PHE A 142 -48.993 -4.530 60.973 1.00 36.86 C ATOM 972 CG PHE A 142 -49.211 -3.202 61.622 1.00 37.70 C ATOM 973 CD1 PHE A 142 -48.179 -2.569 62.303 1.00 37.15 C ATOM 974 CD2 PHE A 142 -50.446 -2.570 61.545 1.00 39.13 C ATOM 975 CE1 PHE A 142 -48.382 -1.333 62.905 1.00 37.88 C ATOM 976 CE2 PHE A 142 -50.648 -1.331 62.140 1.00 39.39 C ATOM 977 CZ PHE A 142 -49.620 -0.710 62.822 1.00 38.09 C ATOM 978 N GLY A 143 -51.425 -6.199 61.573 1.00 40.02 N ATOM 979 CA GLY A 143 -52.830 -6.358 61.934 1.00 41.85 C ATOM 980 C GLY A 143 -53.055 -7.378 63.028 1.00 44.15 C ATOM 981 O GLY A 143 -53.973 -7.247 63.848 1.00 44.49 O ATOM 1086 N LEU A 158 -53.473 1.170 67.686 1.00 47.18 N ATOM 1087 CA LEU A 158 -52.789 0.266 66.786 1.00 44.05 C ATOM 1088 C LEU A 158 -51.379 0.780 66.490 1.00 40.09 C ATOM 1089 O LEU A 158 -51.204 1.913 66.075 1.00 38.05 O ATOM 1090 CB LEU A 158 -53.600 0.099 65.501 1.00 44.36 C ATOM 1091 CG LEU A 158 -53.122 -0.995 64.543 1.00 44.02 C ATOM 1092 CD1 LEU A 158 -53.146 -2.375 65.189 1.00 45.24 C ATOM 1093 CD2 LEU A 158 -53.997 -0.983 63.296 1.00 44.65 C ATOM 1173 N LEU A 171 -44.273 1.768 66.544 1.00 35.66 N ATOM 1174 CA LEU A 171 -43.486 0.678 65.944 1.00 37.37 C ATOM 1175 C LEU A 171 -42.195 0.245 66.636 1.00 37.10 C ATOM 1176 O LEU A 171 -41.967 -0.956 66.830 1.00 37.54 O ATOM 1177 CB LEU A 171 -43.137 1.001 64.475 1.00 38.02 C ATOM 1178 CG LEU A 171 -44.335 1.101 63.554 1.00 39.97 C ATOM 1179 CD1 LEU A 171 -43.881 1.574 62.176 1.00 42.02 C ATOM 1180 CD2 LEU A 171 -45.028 -0.245 63.469 1.00 42.06 C ATOM 1181 N GLU A 172 -41.336 1.204 66.955 1.00 36.98 N ATOM 1182 CA GLU A 172 -39.972 0.908 67.364 1.00 37.60 C ATOM 1183 C GLU A 172 -39.816 0.266 68.741 1.00 38.61 C ATOM 1184 O GLU A 172 -38.753 -0.250 69.037 1.00 39.46 O ATOM 1185 CB GLU A 172 -39.134 2.177 67.282 1.00 38.82 C ATOM 1186 CG GLU A 172 -39.051 2.705 65.856 1.00 38.58 C ATOM 1187 CD GLU A 172 -38.358 1.720 64.923 1.00 39.07 C ATOM 1188 OE1 GLU A 172 -37.237 1.295 65.295 1.00 41.01 O ATOM 1189 OE2 GLU A 172 -38.934 1.363 63.851 1.00 37.41 O ATOM 1195 N TRP A 174 -41.967 -2.150 69.532 1.00 39.78 N ATOM 1196 CA TRP A 174 -42.611 -3.435 69.274 1.00 41.03 C ATOM 1197 C TRP A 174 -41.765 -4.629 69.738 1.00 42.15 C ATOM 1198 O TRP A 174 -40.587 -4.731 69.405 1.00 41.55 O ATOM 1199 CB TRP A 174 -42.854 -3.541 67.771 1.00 40.19 C ATOM 1200 CG TRP A 174 -43.769 -4.621 67.282 1.00 41.49 C ATOM 1201 CD1 TRP A 174 -44.293 -5.673 67.982 1.00 44.27 C ATOM 1202 CD2 TRP A 174 -44.257 -4.746 65.954 1.00 40.34 C ATOM 1203 NE1 TRP A 174 -45.088 -6.436 67.165 1.00 44.74 N ATOM 1204 CE2 TRP A 174 -45.071 -5.892 65.909 1.00 42.46 C ATOM 1205 CE3 TRP A 174 -44.084 -3.995 64.794 1.00 39.45 C ATOM 1206 CZ2 TRP A 174 -45.715 -6.298 64.751 1.00 41.49 C ATOM 1207 CZ3 TRP A 174 -44.724 -4.396 63.652 1.00 38.93 C ATOM 1208 CH2 TRP A 174 -45.529 -5.535 63.635 1.00 39.76 C ATOM 1235 N ALA A 179 -41.709 -8.670 65.774 1.00 42.31 N ATOM 1236 CA ALA A 179 -41.218 -7.826 64.696 1.00 40.33 C ATOM 1237 C ALA A 179 -39.997 -8.441 64.010 1.00 39.48 C ATOM 1238 O ALA A 179 -39.788 -8.225 62.825 1.00 37.54 O ATOM 1239 CB ALA A 179 -40.903 -6.437 65.222 1.00 39.32 C ATOM 1251 N ALA A 182 -40.587 -11.211 61.298 1.00 38.39 N ATOM 1252 CA ALA A 182 -41.188 -10.515 60.159 1.00 36.26 C ATOM 1253 C ALA A 182 -40.163 -9.710 59.376 1.00 34.31 C ATOM 1254 O ALA A 182 -40.103 -9.803 58.164 1.00 32.41 O ATOM 1255 CB ALA A 182 -42.303 -9.601 60.626 1.00 36.81 C ATOM 1256 N ARG A 183 -39.372 -8.900 60.066 1.00 33.97 N ATOM 1257 CA ARG A 183 -38.299 -8.148 59.411 1.00 33.12 C ATOM 1258 C ARG A 183 -37.337 -9.071 58.694 1.00 31.43 C ATOM 1259 O ARG A 183 -37.028 -8.871 57.532 1.00 30.27 O ATOM 1260 CB ARG A 183 -37.471 -7.420 60.432 1.00 35.92 C ATOM 1261 CG ARG A 183 -38.072 -6.159 60.964 1.00 38.11 C ATOM 1262 CD ARG A 183 -37.410 -5.844 62.281 1.00 41.04 C ATOM 1263 NE ARG A 183 -38.071 -4.730 62.940 1.00 45.53 N ATOM 1264 CZ ARG A 183 -37.952 -4.449 64.232 1.00 47.40 C ATOM 1265 NH1 ARG A 183 -37.192 -5.201 65.028 1.00 46.06 N ATOM 1266 NH2 ARG A 183 -38.616 -3.407 64.725 1.00 52.39 N ATOM 2977 N TYR A2240 -29.926 -1.258 56.647 1.00 35.90 N ATOM 2978 CA TYR A2240 -31.162 -1.524 57.343 1.00 34.74 C ATOM 2979 C TYR A2240 -31.480 -3.017 57.329 1.00 34.12 C ATOM 2980 O TYR A2240 -31.777 -3.613 58.377 1.00 34.22 O ATOM 2981 CB TYR A2240 -32.327 -0.752 56.724 1.00 35.04 C ATOM 2982 CG TYR A2240 -33.639 -1.169 57.322 1.00 35.95 C ATOM 2983 CD1 TYR A2240 -33.919 -0.922 58.666 1.00 37.76 C ATOM 2984 CD2 TYR A2240 -34.576 -1.858 56.573 1.00 36.33 C ATOM 2985 CE1 TYR A2240 -35.118 -1.328 59.233 1.00 38.48 C ATOM 2986 CE2 TYR A2240 -35.771 -2.272 57.129 1.00 36.92 C ATOM 2987 CZ TYR A2240 -36.029 -2.002 58.456 1.00 39.22 C ATOM 2988 OH TYR A2240 -37.204 -2.421 59.001 1.00 42.37 O ATOM 3008 N ASN A2244 -31.537 -5.886 60.256 1.00 30.98 N ATOM 3009 CA ASN A2244 -32.631 -6.814 60.495 1.00 30.76 C ATOM 3010 C ASN A2244 -32.161 -8.232 60.648 1.00 32.42 C ATOM 3011 O ASN A2244 -32.637 -8.974 61.510 1.00 34.64 O ATOM 3012 CB ASN A2244 -33.619 -6.759 59.351 1.00 31.64 C ATOM 3013 CG ASN A2244 -34.611 -5.625 59.482 1.00 31.49 C ATOM 3014 OD1 ASN A2244 -34.680 -4.946 60.501 1.00 32.23 O ATOM 3015 ND2 ASN A2244 -35.406 -5.434 58.447 1.00 31.34 N ATOM 3116 N ARG A2258 -29.660 -0.457 64.075 1.00 36.97 N ATOM 3117 CA ARG A2258 -30.957 -0.285 63.443 1.00 35.42 C ATOM 3118 C ARG A2258 -31.248 1.200 63.179 1.00 35.67 C ATOM 3119 O ARG A2258 -31.686 1.555 62.080 1.00 33.62 O ATOM 3120 CB ARG A2258 -32.062 -0.925 64.280 1.00 34.86 C ATOM 3121 CG ARG A2258 -33.451 -0.731 63.710 1.00 34.44 C ATOM 3122 CD ARG A2258 -34.539 -1.381 64.546 1.00 34.66 C ATOM 3123 NE ARG A2258 -35.834 -0.994 64.004 1.00 35.05 N ATOM 3124 CZ ARG A2258 -36.432 -1.575 62.967 1.00 35.27 C ATOM 3125 NH1 ARG A2258 -35.881 -2.614 62.358 1.00 37.10 N ATOM 3126 NH2 ARG A2258 -37.596 -1.115 62.536 1.00 34.78 N CONECT 1 17 6 18 CONECT 2 18 3 38 39 CONECT 2 CONECT 3 2 4 40 41 CONECT 3 CONECT 4 3 19 42 43 CONECT 4 CONECT 5 19 44 45 46 CONECT 5 CONECT 6 22 1 47 CONECT 7 22 48 49 50 CONECT 7 CONECT 8 24 37 23 CONECT 9 25 10 51 CONECT 10 9 11 37 CONECT 11 10 26 52 53 CONECT 11 CONECT 12 26 27 36 CONECT 13 27 28 54 CONECT 14 29 28 33 55 CONECT 14 CONECT 15 16 56 57 58 CONECT 15 CONECT 16 15 23 17 CONECT 17 16 1 59 CONECT 18 1 2 CONECT 19 5 4 20 21 CONECT 19 CONECT 20 19 CONECT 21 19 CONECT 22 23 7 6 CONECT 23 8 16 22 CONECT 24 25 8 60 CONECT 25 9 24 61 CONECT 26 11 12 CONECT 27 12 13 62 CONECT 28 13 35 14 CONECT 29 30 14 63 64 CONECT 29 CONECT 30 32 29 31 CONECT 31 30 CONECT 32 30 CONECT 33 34 14 65 66 CONECT 33 CONECT 34 35 33 CONECT 35 36 28 34 CONECT 36 12 35 67 CONECT 37 10 8 68 CONECT 38 2 CONECT 39 2 CONECT 40 3 CONECT 41 3 CONECT 42 4 CONECT 43 4 CONECT 44 5 CONECT 45 5 CONECT 46 5 CONECT 47 6 CONECT 48 7 CONECT 49 7 CONECT 50 7 CONECT 51 9 CONECT 52 11 CONECT 53 11 CONECT 54 13 CONECT 55 14 CONECT 56 15 CONECT 57 15 CONECT 58 15 CONECT 59 17 CONECT 60 24 CONECT 61 25 CONECT 62 27 CONECT 63 29 CONECT 64 29 CONECT 65 33 CONECT 66 33 CONECT 67 36 CONECT 68 37 MASTER 0 0 0 0 0 0 0 0 68 0 68 0 END