COMPND /tmp/interactions/results/5D5B/ligand/CAU_5D5B.pdb AUTHOR GENERATED BY OPEN BABEL 2.3.2 HETATM 1 O17 CAU A1202 -33.854 10.935 8.075 1.00 0.00 O HETATM 2 C16 CAU A1202 -32.583 10.367 8.166 1.00 0.00 C HETATM 3 C18 CAU A1202 -32.623 8.921 7.699 1.00 0.00 C HETATM 4 N19 CAU A1202 -33.996 8.437 7.715 1.00 0.00 N1+ HETATM 5 C20 CAU A1202 -34.005 6.987 7.617 1.00 0.00 C HETATM 6 C21 CAU A1202 -33.758 6.557 6.177 1.00 0.00 C HETATM 7 C22 CAU A1202 -35.355 6.454 8.072 1.00 0.00 C HETATM 8 C15 CAU A1202 -31.586 11.130 7.292 1.00 0.00 C HETATM 9 O14 CAU A1202 -30.284 10.588 7.556 1.00 0.00 O HETATM 10 C13 CAU A1202 -29.205 11.061 6.737 1.00 0.00 C HETATM 11 C12 CAU A1202 -29.354 12.284 6.099 1.00 0.00 C HETATM 12 C11 CAU A1202 -28.324 12.778 5.296 1.00 0.00 C HETATM 13 C10 CAU A1202 -27.151 12.048 5.137 1.00 0.00 C HETATM 14 C8 CAU A1202 -26.999 10.810 5.785 1.00 0.00 C HETATM 15 C9 CAU A1202 -28.014 10.322 6.577 1.00 0.00 C HETATM 16 N7 CAU A1202 -25.962 9.886 5.807 1.00 0.00 N HETATM 17 C3 CAU A1202 -26.344 8.827 6.619 1.00 0.00 C HETATM 18 C4 CAU A1202 -27.610 9.090 7.096 1.00 0.00 C HETATM 19 C2 CAU A1202 -25.690 7.638 6.989 1.00 0.00 C HETATM 20 C1 CAU A1202 -26.318 6.732 7.834 1.00 0.00 C HETATM 21 C6 CAU A1202 -27.597 7.000 8.318 1.00 0.00 C HETATM 22 C5 CAU A1202 -28.245 8.173 7.951 1.00 0.00 C ATOM 621 N TRP A 109 -37.820 6.617 -1.572 1.00 81.23 N ATOM 622 CA TRP A 109 -38.203 7.306 -0.342 1.00 80.73 C ATOM 623 C TRP A 109 -36.997 7.554 0.557 1.00 79.59 C ATOM 624 O TRP A 109 -36.903 8.592 1.212 1.00 78.97 O ATOM 625 CB TRP A 109 -39.265 6.501 0.412 1.00 81.58 C ATOM 626 CG TRP A 109 -39.508 6.950 1.817 1.00 81.42 C ATOM 627 CD1 TRP A 109 -40.257 8.016 2.218 1.00 81.65 C ATOM 628 CD2 TRP A 109 -39.016 6.332 3.013 1.00 81.45 C ATOM 629 NE1 TRP A 109 -40.256 8.106 3.589 1.00 81.60 N ATOM 630 CE2 TRP A 109 -39.502 7.084 4.101 1.00 81.39 C ATOM 631 CE3 TRP A 109 -38.209 5.219 3.269 1.00 81.86 C ATOM 632 CZ2 TRP A 109 -39.208 6.758 5.423 1.00 81.05 C ATOM 633 CZ3 TRP A 109 -37.919 4.897 4.584 1.00 81.97 C ATOM 634 CH2 TRP A 109 -38.417 5.664 5.644 1.00 81.84 C ATOM 635 N THR A 110 -36.077 6.594 0.582 1.00 79.72 N ATOM 636 CA THR A 110 -34.854 6.724 1.363 1.00 79.30 C ATOM 637 C THR A 110 -33.947 7.796 0.769 1.00 78.39 C ATOM 638 O THR A 110 -33.273 8.526 1.494 1.00 77.70 O ATOM 639 CB THR A 110 -34.081 5.393 1.432 1.00 80.21 C ATOM 640 OG1 THR A 110 -34.984 4.324 1.740 1.00 80.41 O ATOM 641 CG2 THR A 110 -32.991 5.459 2.493 1.00 80.22 C ATOM 656 N ASP A 113 -35.388 11.281 1.599 1.00 76.71 N ATOM 657 CA ASP A 113 -35.134 11.543 3.011 1.00 76.10 C ATOM 658 C ASP A 113 -33.741 12.124 3.210 1.00 75.49 C ATOM 659 O ASP A 113 -33.579 13.189 3.805 1.00 75.00 O ATOM 660 CB ASP A 113 -35.285 10.256 3.824 1.00 76.64 C ATOM 661 CG ASP A 113 -35.383 10.510 5.318 1.00 76.26 C ATOM 662 OD1 ASP A 113 -34.976 11.598 5.780 1.00 75.77 O ATOM 663 OD2 ASP A 113 -35.874 9.613 6.035 1.00 76.41 O1- ATOM 664 N VAL A 114 -32.744 11.409 2.704 1.00 75.36 N ATOM 665 CA VAL A 114 -31.352 11.817 2.824 1.00 75.11 C ATOM 666 C VAL A 114 -31.105 13.157 2.134 1.00 75.20 C ATOM 667 O VAL A 114 -30.428 14.028 2.678 1.00 74.33 O ATOM 668 CB VAL A 114 -30.415 10.741 2.237 1.00 75.85 C ATOM 669 CG1 VAL A 114 -28.982 11.242 2.178 1.00 76.23 C ATOM 670 CG2 VAL A 114 -30.505 9.461 3.055 1.00 75.81 C ATOM 685 N VAL A 117 -32.449 16.266 4.137 1.00 72.70 N ATOM 686 CA VAL A 117 -31.648 16.573 5.315 1.00 72.79 C ATOM 687 C VAL A 117 -30.317 17.188 4.900 1.00 73.30 C ATOM 688 O VAL A 117 -29.802 18.090 5.561 1.00 72.11 O ATOM 689 CB VAL A 117 -31.397 15.318 6.170 1.00 72.66 C ATOM 690 CG1 VAL A 117 -30.578 15.668 7.399 1.00 71.78 C ATOM 691 CG2 VAL A 117 -32.718 14.688 6.577 1.00 72.75 C ATOM 692 N THR A 118 -29.772 16.693 3.793 1.00 72.95 N ATOM 693 CA THR A 118 -28.528 17.216 3.243 1.00 73.25 C ATOM 694 C THR A 118 -28.737 18.631 2.708 1.00 73.90 C ATOM 695 O THR A 118 -27.913 19.517 2.932 1.00 73.38 O ATOM 696 CB THR A 118 -27.981 16.313 2.108 1.00 73.59 C ATOM 697 OG1 THR A 118 -27.846 14.965 2.579 1.00 73.51 O ATOM 698 CG2 THR A 118 -26.629 16.813 1.626 1.00 73.95 C ATOM 1295 N PHE A 193 -32.599 0.739 6.688 1.00 86.09 N ATOM 1296 CA PHE A 193 -31.436 1.420 6.131 1.00 85.57 C ATOM 1297 C PHE A 193 -30.123 0.790 6.606 1.00 85.50 C ATOM 1298 O PHE A 193 -29.357 1.414 7.342 1.00 84.98 O ATOM 1299 CB PHE A 193 -31.473 2.907 6.498 1.00 84.37 C ATOM 1300 CG PHE A 193 -30.452 3.733 5.777 1.00 83.24 C ATOM 1301 CD1 PHE A 193 -30.493 3.851 4.400 1.00 83.09 C ATOM 1302 CD2 PHE A 193 -29.459 4.396 6.475 1.00 81.09 C ATOM 1303 CE1 PHE A 193 -29.562 4.607 3.730 1.00 81.24 C ATOM 1304 CE2 PHE A 193 -28.526 5.156 5.810 1.00 79.05 C ATOM 1305 CZ PHE A 193 -28.575 5.262 4.435 1.00 79.03 C ATOM 1317 N THR A 195 -26.354 -0.252 6.280 1.00 84.64 N ATOM 1318 CA THR A 195 -25.236 0.349 5.556 1.00 83.18 C ATOM 1319 C THR A 195 -23.869 -0.243 5.908 1.00 83.37 C ATOM 1320 O THR A 195 -23.643 -0.725 7.021 1.00 83.92 O ATOM 1321 CB THR A 195 -25.164 1.885 5.783 1.00 81.34 C ATOM 1322 OG1 THR A 195 -25.000 2.176 7.178 1.00 81.89 O ATOM 1323 CG2 THR A 195 -26.418 2.568 5.263 1.00 81.41 C ATOM 1346 N TYR A 199 -19.667 3.918 3.955 1.00 79.69 N ATOM 1347 CA TYR A 199 -20.742 4.846 3.643 1.00 78.38 C ATOM 1348 C TYR A 199 -21.175 5.617 4.881 1.00 77.46 C ATOM 1349 O TYR A 199 -21.195 6.845 4.873 1.00 75.90 O ATOM 1350 CB TYR A 199 -21.936 4.097 3.047 1.00 79.39 C ATOM 1351 CG TYR A 199 -23.172 4.953 2.860 1.00 78.51 C ATOM 1352 CD1 TYR A 199 -23.342 5.721 1.714 1.00 77.96 C ATOM 1353 CD2 TYR A 199 -24.172 4.988 3.826 1.00 77.92 C ATOM 1354 CE1 TYR A 199 -24.471 6.503 1.536 1.00 77.46 C ATOM 1355 CE2 TYR A 199 -25.302 5.768 3.658 1.00 77.12 C ATOM 1356 CZ TYR A 199 -25.447 6.522 2.511 1.00 76.94 C ATOM 1357 OH TYR A 199 -26.571 7.296 2.343 1.00 76.33 O ATOM 1358 N ALA A 200 -21.517 4.883 5.938 1.00 78.20 N ATOM 1359 CA ALA A 200 -22.024 5.472 7.175 1.00 77.55 C ATOM 1360 C ALA A 200 -21.125 6.587 7.699 1.00 75.80 C ATOM 1361 O ALA A 200 -21.610 7.629 8.138 1.00 74.82 O ATOM 1362 CB ALA A 200 -22.195 4.396 8.232 1.00 78.33 C ATOM 1376 N SER A 203 -20.688 9.414 4.315 1.00 72.63 N ATOM 1377 CA SER A 203 -21.928 10.106 3.985 1.00 71.50 C ATOM 1378 C SER A 203 -22.325 11.094 5.075 1.00 71.39 C ATOM 1379 O SER A 203 -22.605 12.256 4.793 1.00 70.20 O ATOM 1380 CB SER A 203 -23.059 9.103 3.750 1.00 72.84 C ATOM 1381 OG SER A 203 -24.264 9.765 3.404 1.00 72.04 O ATOM 1382 N SER A 204 -22.335 10.634 6.321 1.00 70.87 N ATOM 1383 CA SER A 204 -22.777 11.476 7.427 1.00 70.57 C ATOM 1384 C SER A 204 -21.804 12.625 7.684 1.00 70.14 C ATOM 1385 O SER A 204 -22.173 13.636 8.278 1.00 69.18 O ATOM 1386 CB SER A 204 -22.961 10.645 8.698 1.00 70.87 C ATOM 1387 OG SER A 204 -21.712 10.233 9.215 1.00 71.44 O ATOM 1403 N SER A 207 -22.381 14.965 4.148 1.00 68.99 N ATOM 1404 CA SER A 207 -23.735 15.502 4.111 1.00 69.03 C ATOM 1405 C SER A 207 -24.046 16.389 5.309 1.00 68.23 C ATOM 1406 O SER A 207 -24.673 17.437 5.160 1.00 68.65 O ATOM 1407 CB SER A 207 -24.765 14.371 4.038 1.00 70.00 C ATOM 1408 OG SER A 207 -24.812 13.796 2.743 1.00 71.36 O ATOM 3063 N TRP A 286 -31.029 17.164 15.086 1.00 68.14 N ATOM 3064 CA TRP A 286 -30.402 16.170 14.224 1.00 68.55 C ATOM 3065 C TRP A 286 -29.099 15.592 14.757 1.00 68.24 C ATOM 3066 O TRP A 286 -28.753 14.457 14.437 1.00 69.18 O ATOM 3067 CB TRP A 286 -30.151 16.766 12.842 1.00 68.37 C ATOM 3068 CG TRP A 286 -31.358 16.746 11.985 1.00 68.60 C ATOM 3069 CD1 TRP A 286 -32.119 17.813 11.614 1.00 68.79 C ATOM 3070 CD2 TRP A 286 -31.966 15.593 11.401 1.00 69.97 C ATOM 3071 NE1 TRP A 286 -33.161 17.397 10.823 1.00 69.12 N ATOM 3072 CE2 TRP A 286 -33.090 16.037 10.676 1.00 70.16 C ATOM 3073 CE3 TRP A 286 -31.668 14.227 11.413 1.00 70.38 C ATOM 3074 CZ2 TRP A 286 -33.916 15.162 9.971 1.00 71.22 C ATOM 3075 CZ3 TRP A 286 -32.489 13.361 10.714 1.00 71.19 C ATOM 3076 CH2 TRP A 286 -33.600 13.831 10.004 1.00 71.44 C ATOM 3092 N PHE A 289 -29.139 11.981 16.529 1.00 70.16 N ATOM 3093 CA PHE A 289 -29.319 10.957 15.513 1.00 70.36 C ATOM 3094 C PHE A 289 -28.027 10.708 14.748 1.00 72.84 C ATOM 3095 O PHE A 289 -27.667 9.565 14.480 1.00 70.83 O ATOM 3096 CB PHE A 289 -30.439 11.371 14.553 1.00 71.45 C ATOM 3097 CG PHE A 289 -30.576 10.483 13.344 1.00 72.73 C ATOM 3098 CD1 PHE A 289 -29.975 10.825 12.140 1.00 72.51 C ATOM 3099 CD2 PHE A 289 -31.318 9.314 13.406 1.00 73.27 C ATOM 3100 CE1 PHE A 289 -30.102 10.011 11.026 1.00 72.71 C ATOM 3101 CE2 PHE A 289 -31.449 8.498 12.293 1.00 73.41 C ATOM 3102 CZ PHE A 289 -30.839 8.848 11.103 1.00 73.06 C ATOM 3103 N PHE A 290 -27.330 11.786 14.403 1.00 69.39 N ATOM 3104 CA PHE A 290 -26.117 11.689 13.599 1.00 70.98 C ATOM 3105 C PHE A 290 -24.898 11.273 14.416 1.00 71.15 C ATOM 3106 O PHE A 290 -23.904 10.808 13.860 1.00 71.20 O ATOM 3107 CB PHE A 290 -25.840 13.016 12.888 1.00 69.69 C ATOM 3108 CG PHE A 290 -26.531 13.144 11.564 1.00 69.45 C ATOM 3109 CD1 PHE A 290 -25.978 12.579 10.426 1.00 69.77 C ATOM 3110 CD2 PHE A 290 -27.733 13.825 11.454 1.00 69.29 C ATOM 3111 CE1 PHE A 290 -26.610 12.690 9.201 1.00 70.40 C ATOM 3112 CE2 PHE A 290 -28.371 13.942 10.232 1.00 69.65 C ATOM 3113 CZ PHE A 290 -27.807 13.374 9.103 1.00 70.33 C ATOM 3129 N ASN A 293 -25.163 7.477 14.492 1.00 71.85 N ATOM 3130 CA ASN A 293 -24.640 7.010 13.212 1.00 72.00 C ATOM 3131 C ASN A 293 -23.190 6.571 13.340 1.00 72.56 C ATOM 3132 O ASN A 293 -22.817 5.472 12.932 1.00 73.11 O ATOM 3133 CB ASN A 293 -24.745 8.109 12.151 1.00 71.89 C ATOM 3134 CG ASN A 293 -26.037 8.048 11.363 1.00 71.95 C ATOM 3135 OD1 ASN A 293 -26.894 7.199 11.610 1.00 72.35 O ATOM 3136 ND2 ASN A 293 -26.185 8.960 10.406 1.00 71.73 N ATOM 3254 N TYR A 308 -33.024 4.846 18.257 1.00 76.58 N ATOM 3255 CA TYR A 308 -32.507 5.361 16.994 1.00 75.88 C ATOM 3256 C TYR A 308 -33.634 5.924 16.132 1.00 74.78 C ATOM 3257 O TYR A 308 -33.502 6.995 15.542 1.00 74.12 O ATOM 3258 CB TYR A 308 -31.752 4.264 16.234 1.00 76.55 C ATOM 3259 CG TYR A 308 -31.047 4.765 14.995 1.00 75.33 C ATOM 3260 CD1 TYR A 308 -29.879 5.510 15.097 1.00 74.91 C ATOM 3261 CD2 TYR A 308 -31.549 4.498 13.725 1.00 74.43 C ATOM 3262 CE1 TYR A 308 -29.228 5.977 13.974 1.00 73.85 C ATOM 3263 CE2 TYR A 308 -30.904 4.961 12.590 1.00 74.03 C ATOM 3264 CZ TYR A 308 -29.741 5.701 12.723 1.00 73.49 C ATOM 3265 OH TYR A 308 -29.084 6.174 11.610 1.00 72.57 O ATOM 3290 N ASN A 312 -34.446 10.006 15.069 1.00 71.59 N ATOM 3291 CA ASN A 312 -34.750 10.371 13.693 1.00 71.99 C ATOM 3292 C ASN A 312 -36.009 11.224 13.625 1.00 71.64 C ATOM 3293 O ASN A 312 -36.095 12.161 12.830 1.00 71.69 O ATOM 3294 CB ASN A 312 -34.920 9.116 12.833 1.00 72.29 C ATOM 3295 CG ASN A 312 -34.784 9.399 11.346 1.00 73.00 C ATOM 3296 OD1 ASN A 312 -34.465 8.506 10.561 1.00 73.46 O ATOM 3297 ND2 ASN A 312 -35.013 10.644 10.953 1.00 73.08 N ATOM 3324 N TYR A 316 -37.097 14.636 12.167 1.00 72.38 N ATOM 3325 CA TYR A 316 -38.262 14.873 11.316 1.00 71.92 C ATOM 3326 C TYR A 316 -39.066 16.070 11.806 1.00 71.77 C ATOM 3327 O TYR A 316 -39.397 16.972 11.035 1.00 72.49 O ATOM 3328 CB TYR A 316 -39.177 13.645 11.275 1.00 72.96 C ATOM 3329 CG TYR A 316 -38.688 12.493 10.428 1.00 74.18 C ATOM 3330 CD1 TYR A 316 -37.632 12.646 9.540 1.00 74.78 C ATOM 3331 CD2 TYR A 316 -39.297 11.248 10.510 1.00 74.71 C ATOM 3332 CE1 TYR A 316 -37.192 11.586 8.765 1.00 75.23 C ATOM 3333 CE2 TYR A 316 -38.866 10.186 9.741 1.00 74.92 C ATOM 3334 CZ TYR A 316 -37.814 10.359 8.871 1.00 75.21 C ATOM 3335 OH TYR A 316 -37.383 9.299 8.107 1.00 75.63 O CONECT 1 2 23 CONECT 2 8 3 1 24 CONECT 2 CONECT 3 4 2 25 26 CONECT 3 CONECT 4 5 3 27 28 CONECT 4 CONECT 5 6 4 7 29 CONECT 5 CONECT 6 5 30 31 32 CONECT 6 CONECT 7 5 33 34 35 CONECT 7 CONECT 8 9 2 36 37 CONECT 8 CONECT 9 10 8 CONECT 10 11 15 9 CONECT 11 12 10 38 CONECT 12 13 11 39 CONECT 13 12 14 40 CONECT 14 13 16 15 CONECT 15 14 10 18 CONECT 16 14 17 41 CONECT 17 16 19 18 CONECT 18 15 17 22 CONECT 19 17 20 42 CONECT 20 19 21 43 CONECT 21 20 22 44 CONECT 22 18 21 45 CONECT 23 1 CONECT 24 2 CONECT 25 3 CONECT 26 3 CONECT 27 4 CONECT 28 4 CONECT 29 5 CONECT 30 6 CONECT 31 6 CONECT 32 6 CONECT 33 7 CONECT 34 7 CONECT 35 7 CONECT 36 8 CONECT 37 8 CONECT 38 11 CONECT 39 12 CONECT 40 13 CONECT 41 16 CONECT 42 19 CONECT 43 20 CONECT 44 21 CONECT 45 22 MASTER 0 0 0 0 0 0 0 0 45 0 45 0 END