COMPND /tmp/interactions/results/3NY8/ligand/JRZ_3NY8.pdb AUTHOR GENERATED BY OPEN BABEL 2.3.2 HETATM 1 C1 JRZ A1203 1.285 0.331 51.536 1.00 0.00 C HETATM 2 N1 JRZ A1203 3.401 8.236 53.102 1.00 0.00 N1+ HETATM 3 O1 JRZ A1203 3.104 4.717 50.478 1.00 0.00 O HETATM 4 C2 JRZ A1203 1.830 1.052 52.740 1.00 0.00 C HETATM 5 O2 JRZ A1203 3.517 8.359 50.405 1.00 0.00 O HETATM 6 C3 JRZ A1203 2.762 2.135 52.240 1.00 0.00 C HETATM 7 C4 JRZ A1203 2.123 2.498 50.876 1.00 0.00 C HETATM 8 C5 JRZ A1203 1.274 1.454 50.482 1.00 0.00 C HETATM 9 C6 JRZ A1203 0.545 1.565 49.305 1.00 0.00 C HETATM 10 C7 JRZ A1203 -0.400 0.445 48.893 1.00 0.00 C HETATM 11 C8 JRZ A1203 0.659 2.695 48.503 1.00 0.00 C HETATM 12 C9 JRZ A1203 1.493 3.743 48.890 1.00 0.00 C HETATM 13 C10 JRZ A1203 2.215 3.658 50.090 1.00 0.00 C HETATM 14 C11 JRZ A1203 2.949 6.053 49.986 1.00 0.00 C HETATM 15 C12 JRZ A1203 3.618 7.065 50.957 1.00 0.00 C HETATM 16 C13 JRZ A1203 2.986 7.036 52.381 1.00 0.00 C HETATM 17 C14 JRZ A1203 1.465 7.034 52.305 1.00 0.00 C HETATM 18 C15 JRZ A1203 3.400 8.086 54.546 1.00 0.00 C HETATM 19 C16 JRZ A1203 4.607 8.814 55.119 1.00 0.00 C HETATM 20 C17 JRZ A1203 2.143 8.723 55.130 1.00 0.00 C ATOM 380 N MET A 82 -1.229 14.066 43.246 1.00 40.82 N ATOM 381 CA MET A 82 -0.059 13.947 44.093 1.00 41.15 C ATOM 382 C MET A 82 0.545 15.304 44.392 1.00 40.70 C ATOM 383 O MET A 82 0.914 15.601 45.530 1.00 40.46 O ATOM 384 CB MET A 82 0.985 13.074 43.415 1.00 41.42 C ATOM 385 CG MET A 82 1.985 12.517 44.376 1.00 43.03 C ATOM 386 SD MET A 82 1.227 11.329 45.488 1.00 45.66 S ATOM 387 CE MET A 82 2.705 10.387 45.909 1.00 45.09 C ATOM 597 N TRP A 109 -6.197 12.244 53.586 1.00 50.70 N ATOM 598 CA TRP A 109 -4.909 12.617 52.995 1.00 49.32 C ATOM 599 C TRP A 109 -4.057 11.399 52.759 1.00 48.40 C ATOM 600 O TRP A 109 -3.332 11.328 51.770 1.00 47.85 O ATOM 601 CB TRP A 109 -4.154 13.580 53.909 1.00 49.10 C ATOM 602 CG TRP A 109 -2.750 13.895 53.475 1.00 48.97 C ATOM 603 CD1 TRP A 109 -2.374 14.677 52.425 1.00 49.83 C ATOM 604 CD2 TRP A 109 -1.535 13.458 54.099 1.00 49.92 C ATOM 605 NE1 TRP A 109 -1.000 14.750 52.344 1.00 49.71 N ATOM 606 CE2 TRP A 109 -0.461 14.017 53.366 1.00 50.09 C ATOM 607 CE3 TRP A 109 -1.247 12.653 55.210 1.00 50.32 C ATOM 608 CZ2 TRP A 109 0.878 13.795 53.708 1.00 50.47 C ATOM 609 CZ3 TRP A 109 0.089 12.429 55.545 1.00 50.59 C ATOM 610 CH2 TRP A 109 1.132 12.997 54.795 1.00 50.58 C ATOM 611 N THR A 110 -4.143 10.438 53.673 1.00 47.62 N ATOM 612 CA THR A 110 -3.352 9.217 53.553 1.00 47.09 C ATOM 613 C THR A 110 -3.956 8.286 52.496 1.00 46.40 C ATOM 614 O THR A 110 -3.226 7.696 51.731 1.00 46.49 O ATOM 615 CB THR A 110 -3.146 8.510 54.932 1.00 47.18 C ATOM 616 OG1 THR A 110 -2.271 9.301 55.757 1.00 46.61 O ATOM 617 CG2 THR A 110 -2.520 7.141 54.757 1.00 46.88 C ATOM 632 N ASP A 113 -3.062 9.428 49.231 1.00 43.35 N ATOM 633 CA ASP A 113 -1.640 9.205 48.974 1.00 43.14 C ATOM 634 C ASP A 113 -1.458 7.806 48.421 1.00 42.68 C ATOM 635 O ASP A 113 -0.758 7.608 47.413 1.00 42.86 O ATOM 636 CB ASP A 113 -0.799 9.398 50.238 1.00 43.32 C ATOM 637 CG ASP A 113 0.693 9.372 49.961 1.00 43.34 C ATOM 638 OD1 ASP A 113 1.147 8.488 49.224 1.00 43.87 O ATOM 639 OD2 ASP A 113 1.429 10.226 50.490 1.00 44.54 O ATOM 640 N VAL A 114 -2.113 6.850 49.070 1.00 41.84 N ATOM 641 CA VAL A 114 -2.045 5.465 48.654 1.00 41.55 C ATOM 642 C VAL A 114 -2.644 5.313 47.261 1.00 41.07 C ATOM 643 O VAL A 114 -2.052 4.669 46.393 1.00 41.17 O ATOM 644 CB VAL A 114 -2.761 4.532 49.653 1.00 41.66 C ATOM 645 CG1 VAL A 114 -2.686 3.088 49.180 1.00 41.53 C ATOM 646 CG2 VAL A 114 -2.132 4.663 51.043 1.00 41.86 C ATOM 661 N VAL A 117 -0.267 6.200 44.325 1.00 39.10 N ATOM 662 CA VAL A 117 0.770 5.224 44.016 1.00 38.85 C ATOM 663 C VAL A 117 0.188 3.931 43.450 1.00 38.73 C ATOM 664 O VAL A 117 0.723 3.398 42.471 1.00 38.80 O ATOM 665 CB VAL A 117 1.652 4.899 45.221 1.00 38.94 C ATOM 666 CG1 VAL A 117 2.568 3.712 44.901 1.00 37.98 C ATOM 667 CG2 VAL A 117 2.451 6.123 45.603 1.00 38.92 C ATOM 668 N THR A 118 -0.883 3.423 44.069 1.00 38.41 N ATOM 669 CA THR A 118 -1.554 2.195 43.601 1.00 38.33 C ATOM 670 C THR A 118 -1.950 2.292 42.109 1.00 38.07 C ATOM 671 O THR A 118 -1.545 1.449 41.287 1.00 37.70 O ATOM 672 CB THR A 118 -2.811 1.897 44.450 1.00 38.52 C ATOM 673 OG1 THR A 118 -2.418 1.500 45.772 1.00 39.00 O ATOM 674 CG2 THR A 118 -3.665 0.791 43.818 1.00 38.58 C ATOM 1276 N PHE A 193 2.131 7.616 60.019 1.00 56.94 N ATOM 1277 CA PHE A 193 1.531 6.434 59.401 1.00 56.61 C ATOM 1278 C PHE A 193 1.877 5.150 60.142 1.00 56.06 C ATOM 1279 O PHE A 193 2.701 4.353 59.692 1.00 56.22 O ATOM 1280 CB PHE A 193 1.890 6.330 57.910 1.00 56.62 C ATOM 1281 CG PHE A 193 1.019 5.360 57.142 1.00 56.97 C ATOM 1282 CD1 PHE A 193 -0.375 5.371 57.287 1.00 57.29 C ATOM 1283 CD2 PHE A 193 1.582 4.436 56.276 1.00 57.35 C ATOM 1284 CE1 PHE A 193 -1.190 4.473 56.580 1.00 56.77 C ATOM 1285 CE2 PHE A 193 0.773 3.542 55.565 1.00 58.01 C ATOM 1286 CZ PHE A 193 -0.623 3.567 55.720 1.00 56.82 C ATOM 1327 N TYR A 199 -1.767 -5.524 57.384 1.00 43.63 N ATOM 1328 CA TYR A 199 -2.097 -4.476 56.455 1.00 42.40 C ATOM 1329 C TYR A 199 -0.857 -4.163 55.632 1.00 41.66 C ATOM 1330 O TYR A 199 -0.930 -4.098 54.413 1.00 41.96 O ATOM 1331 CB TYR A 199 -2.610 -3.224 57.152 1.00 42.05 C ATOM 1332 CG TYR A 199 -2.752 -2.133 56.159 1.00 41.29 C ATOM 1333 CD1 TYR A 199 -3.800 -2.139 55.247 1.00 41.05 C ATOM 1334 CD2 TYR A 199 -1.802 -1.138 56.063 1.00 40.91 C ATOM 1335 CE1 TYR A 199 -3.912 -1.158 54.288 1.00 40.77 C ATOM 1336 CE2 TYR A 199 -1.907 -0.153 55.107 1.00 41.43 C ATOM 1337 CZ TYR A 199 -2.962 -0.169 54.226 1.00 40.69 C ATOM 1338 OH TYR A 199 -3.052 0.810 53.281 1.00 41.95 O ATOM 1357 N SER A 203 -1.141 -5.151 51.607 1.00 39.24 N ATOM 1358 CA SER A 203 -1.359 -4.017 50.711 1.00 39.71 C ATOM 1359 C SER A 203 -0.189 -3.788 49.755 1.00 39.94 C ATOM 1360 O SER A 203 -0.401 -3.735 48.539 1.00 40.22 O ATOM 1361 CB SER A 203 -1.639 -2.734 51.472 1.00 39.86 C ATOM 1362 OG SER A 203 -1.699 -1.656 50.547 1.00 40.16 O ATOM 1363 N SER A 204 1.027 -3.645 50.290 1.00 39.73 N ATOM 1364 CA SER A 204 2.227 -3.607 49.452 1.00 39.63 C ATOM 1365 C SER A 204 2.150 -4.603 48.293 1.00 39.82 C ATOM 1366 O SER A 204 2.216 -4.211 47.131 1.00 40.14 O ATOM 1367 CB SER A 204 3.470 -3.937 50.265 1.00 39.52 C ATOM 1368 OG SER A 204 3.848 -2.853 51.073 1.00 40.09 O ATOM 1384 N SER A 207 -1.028 -4.095 46.066 1.00 38.41 N ATOM 1385 CA SER A 207 -0.975 -2.741 45.511 1.00 38.19 C ATOM 1386 C SER A 207 0.293 -2.426 44.715 1.00 37.76 C ATOM 1387 O SER A 207 0.215 -1.649 43.783 1.00 38.27 O ATOM 1388 CB SER A 207 -1.095 -1.689 46.610 1.00 38.17 C ATOM 1389 OG SER A 207 -1.974 -2.092 47.638 1.00 38.71 O ATOM 3044 N TRP A 286 10.404 4.487 43.762 1.00 43.40 N ATOM 3045 CA TRP A 286 9.513 3.961 44.811 1.00 43.39 C ATOM 3046 C TRP A 286 10.011 2.684 45.485 1.00 43.18 C ATOM 3047 O TRP A 286 9.764 2.480 46.667 1.00 43.33 O ATOM 3048 CB TRP A 286 8.109 3.742 44.252 1.00 43.52 C ATOM 3049 CG TRP A 286 7.371 5.012 44.089 1.00 43.72 C ATOM 3050 CD1 TRP A 286 7.221 5.734 42.944 1.00 44.06 C ATOM 3051 CD2 TRP A 286 6.694 5.735 45.115 1.00 44.35 C ATOM 3052 NE1 TRP A 286 6.475 6.864 43.189 1.00 44.91 N ATOM 3053 CE2 TRP A 286 6.138 6.887 44.518 1.00 45.13 C ATOM 3054 CE3 TRP A 286 6.499 5.521 46.482 1.00 44.54 C ATOM 3055 CZ2 TRP A 286 5.405 7.827 45.248 1.00 45.33 C ATOM 3056 CZ3 TRP A 286 5.766 6.453 47.207 1.00 44.87 C ATOM 3057 CH2 TRP A 286 5.229 7.591 46.590 1.00 45.16 C ATOM 3073 N PHE A 289 11.899 2.622 49.114 1.00 44.05 N ATOM 3074 CA PHE A 289 10.889 2.839 50.161 1.00 44.70 C ATOM 3075 C PHE A 289 10.043 1.594 50.443 1.00 45.50 C ATOM 3076 O PHE A 289 9.847 1.220 51.599 1.00 45.26 O ATOM 3077 CB PHE A 289 9.992 4.006 49.738 1.00 44.67 C ATOM 3078 CG PHE A 289 8.748 4.183 50.570 1.00 44.55 C ATOM 3079 CD1 PHE A 289 7.569 3.555 50.213 1.00 43.41 C ATOM 3080 CD2 PHE A 289 8.744 5.038 51.669 1.00 45.07 C ATOM 3081 CE1 PHE A 289 6.426 3.735 50.947 1.00 43.90 C ATOM 3082 CE2 PHE A 289 7.590 5.228 52.418 1.00 44.41 C ATOM 3083 CZ PHE A 289 6.431 4.577 52.056 1.00 44.69 C ATOM 3084 N PHE A 290 9.555 0.951 49.388 1.00 46.76 N ATOM 3085 CA PHE A 290 8.684 -0.215 49.553 1.00 47.91 C ATOM 3086 C PHE A 290 9.372 -1.465 50.079 1.00 49.11 C ATOM 3087 O PHE A 290 8.710 -2.316 50.686 1.00 49.13 O ATOM 3088 CB PHE A 290 7.973 -0.541 48.257 1.00 47.84 C ATOM 3089 CG PHE A 290 6.684 0.171 48.105 1.00 47.66 C ATOM 3090 CD1 PHE A 290 5.530 -0.361 48.642 1.00 46.65 C ATOM 3091 CD2 PHE A 290 6.621 1.383 47.432 1.00 48.17 C ATOM 3092 CE1 PHE A 290 4.327 0.287 48.504 1.00 47.10 C ATOM 3093 CE2 PHE A 290 5.412 2.046 47.284 1.00 48.22 C ATOM 3094 CZ PHE A 290 4.263 1.496 47.825 1.00 48.02 C ATOM 3110 N ASN A 293 9.751 -0.401 53.888 1.00 58.49 N ATOM 3111 CA ASN A 293 8.445 -0.625 54.538 1.00 59.97 C ATOM 3112 C ASN A 293 8.260 -2.107 54.893 1.00 60.90 C ATOM 3113 O ASN A 293 7.631 -2.433 55.890 1.00 61.27 O ATOM 3114 CB ASN A 293 7.279 -0.138 53.641 1.00 60.18 C ATOM 3115 CG ASN A 293 6.105 0.485 54.441 1.00 61.13 C ATOM 3116 OD1 ASN A 293 6.291 1.377 55.277 1.00 61.57 O ATOM 3117 ND2 ASN A 293 4.887 0.031 54.147 1.00 62.81 N ATOM 3235 N TYR A 308 13.260 6.702 56.315 1.00 59.31 N ATOM 3236 CA TYR A 308 11.896 6.491 55.830 1.00 58.18 C ATOM 3237 C TYR A 308 11.334 7.722 55.086 1.00 57.38 C ATOM 3238 O TYR A 308 10.861 7.607 53.943 1.00 57.22 O ATOM 3239 CB TYR A 308 11.000 6.114 57.013 1.00 58.06 C ATOM 3240 CG TYR A 308 9.620 5.598 56.662 1.00 57.81 C ATOM 3241 CD1 TYR A 308 9.439 4.304 56.197 1.00 57.49 C ATOM 3242 CD2 TYR A 308 8.492 6.395 56.841 1.00 58.37 C ATOM 3243 CE1 TYR A 308 8.179 3.817 55.886 1.00 57.87 C ATOM 3244 CE2 TYR A 308 7.217 5.921 56.540 1.00 58.71 C ATOM 3245 CZ TYR A 308 7.065 4.627 56.057 1.00 59.03 C ATOM 3246 OH TYR A 308 5.800 4.155 55.752 1.00 59.05 O ATOM 3271 N ASN A 312 10.661 7.938 51.091 1.00 47.73 N ATOM 3272 CA ASN A 312 9.306 8.273 50.695 1.00 47.11 C ATOM 3273 C ASN A 312 9.274 9.459 49.736 1.00 46.52 C ATOM 3274 O ASN A 312 8.557 9.415 48.744 1.00 46.58 O ATOM 3275 CB ASN A 312 8.425 8.585 51.910 1.00 47.24 C ATOM 3276 CG ASN A 312 6.926 8.530 51.587 1.00 46.81 C ATOM 3277 OD1 ASN A 312 6.106 8.361 52.475 1.00 46.36 O ATOM 3278 ND2 ASN A 312 6.576 8.662 50.318 1.00 46.95 N ATOM 3305 N TYR A 316 7.693 10.818 46.072 1.00 41.15 N ATOM 3306 CA TYR A 316 7.008 12.074 45.752 1.00 41.26 C ATOM 3307 C TYR A 316 7.628 12.816 44.546 1.00 41.14 C ATOM 3308 O TYR A 316 6.923 13.246 43.637 1.00 40.67 O ATOM 3309 CB TYR A 316 6.965 12.981 46.991 1.00 41.33 C ATOM 3310 CG TYR A 316 6.009 12.564 48.115 1.00 42.21 C ATOM 3311 CD1 TYR A 316 5.029 11.589 47.935 1.00 44.28 C ATOM 3312 CD2 TYR A 316 6.060 13.198 49.352 1.00 43.40 C ATOM 3313 CE1 TYR A 316 4.139 11.242 48.978 1.00 44.74 C ATOM 3314 CE2 TYR A 316 5.192 12.864 50.393 1.00 43.61 C ATOM 3315 CZ TYR A 316 4.231 11.891 50.203 1.00 44.73 C ATOM 3316 OH TYR A 316 3.374 11.573 51.239 1.00 44.97 O CONECT 1 8 4 21 22 CONECT 1 CONECT 2 16 18 23 24 CONECT 2 CONECT 3 14 13 CONECT 4 1 6 25 26 CONECT 4 CONECT 5 15 27 CONECT 6 7 4 28 29 CONECT 6 CONECT 7 13 8 6 CONECT 8 9 7 1 CONECT 9 11 10 8 CONECT 10 9 30 31 32 CONECT 10 CONECT 11 12 9 33 CONECT 12 11 13 34 CONECT 13 12 3 7 CONECT 14 3 15 35 36 CONECT 14 CONECT 15 14 5 16 37 CONECT 15 CONECT 16 15 17 2 38 CONECT 16 CONECT 17 16 39 40 41 CONECT 17 CONECT 18 2 19 20 42 CONECT 18 CONECT 19 18 43 44 45 CONECT 19 CONECT 20 18 46 47 48 CONECT 20 CONECT 21 1 CONECT 22 1 CONECT 23 2 CONECT 24 2 CONECT 25 4 CONECT 26 4 CONECT 27 5 CONECT 28 6 CONECT 29 6 CONECT 30 10 CONECT 31 10 CONECT 32 10 CONECT 33 11 CONECT 34 12 CONECT 35 14 CONECT 36 14 CONECT 37 15 CONECT 38 16 CONECT 39 17 CONECT 40 17 CONECT 41 17 CONECT 42 18 CONECT 43 19 CONECT 44 19 CONECT 45 19 CONECT 46 20 CONECT 47 20 CONECT 48 20 MASTER 0 0 0 0 0 0 0 0 48 0 48 0 END