COMPND /tmp/interactions/results/6J21/ligand/GBQ_6J21.pdb AUTHOR GENERATED BY OPEN BABEL 2.3.2 HETATM 1 C13 GBQ A1201 12.083 137.184 205.492 1.00 0.00 C HETATM 2 C21 GBQ A1201 12.138 137.707 213.867 1.00 0.00 C HETATM 3 C22 GBQ A1201 12.755 136.375 213.449 1.00 0.00 C HETATM 4 C24 GBQ A1201 11.514 139.913 213.255 1.00 0.00 C HETATM 5 C01 GBQ A1201 15.121 135.625 209.844 1.00 0.00 C HETATM 6 C02 GBQ A1201 13.602 135.620 209.885 1.00 0.00 C HETATM 7 C03 GBQ A1201 13.071 135.379 208.604 1.00 0.00 C HETATM 8 C04 GBQ A1201 12.858 136.405 207.668 1.00 0.00 C HETATM 9 C05 GBQ A1201 12.298 136.133 206.412 1.00 0.00 C HETATM 10 C06 GBQ A1201 11.967 134.801 206.099 1.00 0.00 C HETATM 11 C07 GBQ A1201 12.164 133.756 207.023 1.00 0.00 C HETATM 12 C08 GBQ A1201 12.718 134.068 208.271 1.00 0.00 C HETATM 13 C09 GBQ A1201 11.836 132.403 206.726 1.00 0.00 C HETATM 14 C18 GBQ A1201 11.829 136.660 211.182 1.00 0.00 C HETATM 15 C19 GBQ A1201 11.162 138.028 211.599 1.00 0.00 C HETATM 16 C25 GBQ A1201 12.810 140.672 213.528 1.00 0.00 C1+ HETATM 17 C27 GBQ A1201 14.353 141.764 214.431 1.00 0.00 C HETATM 18 C31 GBQ A1201 10.994 138.842 210.443 1.00 0.00 C HETATM 19 C32 GBQ A1201 12.001 139.697 209.958 1.00 0.00 C HETATM 20 C33 GBQ A1201 11.779 140.475 208.819 1.00 0.00 C HETATM 21 C34 GBQ A1201 10.542 140.413 208.166 1.00 0.00 C HETATM 22 C35 GBQ A1201 9.526 139.568 208.634 1.00 0.00 C HETATM 23 C36 GBQ A1201 9.760 138.787 209.772 1.00 0.00 C HETATM 24 F10 GBQ A1201 12.990 131.649 206.697 1.00 0.00 F HETATM 25 F11 GBQ A1201 10.985 131.879 207.726 1.00 0.00 F HETATM 26 F12 GBQ A1201 11.180 132.265 205.463 1.00 0.00 F HETATM 27 F14 GBQ A1201 11.355 138.139 206.022 1.00 0.00 F HETATM 28 F15 GBQ A1201 11.469 136.765 204.460 1.00 0.00 F HETATM 29 F16 GBQ A1201 13.203 137.684 205.135 1.00 0.00 F HETATM 30 F37 GBQ A1201 10.330 141.192 207.065 1.00 0.00 F HETATM 31 N20 GBQ A1201 11.939 138.618 212.717 1.00 0.00 N1+ HETATM 32 N26 GBQ A1201 13.112 141.332 214.638 1.00 0.00 N HETATM 33 N29 GBQ A1201 14.835 141.362 213.266 1.00 0.00 N HETATM 34 N30 GBQ A1201 13.854 140.647 212.700 1.00 0.00 N HETATM 35 O17 GBQ A1201 13.127 136.844 210.491 1.00 0.00 O HETATM 36 O23 GBQ A1201 11.952 135.794 212.373 1.00 0.00 O HETATM 37 O28 GBQ A1201 14.991 142.449 215.212 1.00 0.00 O ATOM 401 N MET A 81 18.295 129.361 199.915 1.00120.71 N ATOM 402 CA MET A 81 17.435 129.519 201.094 1.00118.80 C ATOM 403 C MET A 81 16.840 128.179 201.512 1.00123.98 C ATOM 404 O MET A 81 16.805 127.884 202.707 1.00124.58 O ATOM 405 CB MET A 81 16.307 130.533 200.832 1.00118.43 C ATOM 406 CG MET A 81 15.890 131.339 202.083 1.00120.76 C ATOM 407 SD MET A 81 14.297 132.264 202.068 1.00122.38 S ATOM 408 CE MET A 81 14.203 132.791 200.329 1.00118.45 C ATOM 430 N ASN A 85 17.947 127.066 205.324 1.00122.46 N ATOM 431 CA ASN A 85 16.903 127.400 206.285 1.00120.06 C ATOM 432 C ASN A 85 15.763 126.393 206.522 1.00123.65 C ATOM 433 O ASN A 85 15.328 126.320 207.670 1.00122.88 O ATOM 434 CB ASN A 85 16.305 128.744 205.940 1.00119.09 C ATOM 435 CG ASN A 85 17.199 129.863 206.391 1.00150.48 C ATOM 436 OD1 ASN A 85 17.155 130.288 207.552 1.00150.83 O ATOM 437 ND2 ASN A 85 18.075 130.320 205.506 1.00141.27 N ATOM 459 N ASN A 89 14.766 125.816 210.422 1.00111.21 N ATOM 460 CA ASN A 89 13.522 126.512 210.778 1.00109.40 C ATOM 461 C ASN A 89 12.388 125.553 211.140 1.00115.28 C ATOM 462 O ASN A 89 11.531 125.908 211.956 1.00113.92 O ATOM 463 CB ASN A 89 13.087 127.508 209.692 1.00109.49 C ATOM 464 CG ASN A 89 13.822 128.833 209.715 1.00136.32 C ATOM 465 OD1 ASN A 89 14.933 128.968 209.192 1.00128.86 O ATOM 466 ND2 ASN A 89 13.188 129.858 210.276 1.00130.03 N ATOM 643 N ASN A 109 19.065 133.620 210.901 1.00105.69 N ATOM 644 CA ASN A 109 18.313 134.866 211.029 1.00102.69 C ATOM 645 C ASN A 109 18.857 135.918 210.060 1.00106.23 C ATOM 646 O ASN A 109 18.197 136.924 209.806 1.00104.85 O ATOM 647 CB ASN A 109 18.329 135.389 212.474 1.00100.52 C ATOM 648 CG ASN A 109 17.505 134.585 213.465 1.00118.93 C ATOM 649 OD1 ASN A 109 16.400 134.111 213.176 1.00110.34 O ATOM 650 ND2 ASN A 109 17.994 134.472 214.691 1.00111.71 N ATOM 673 N PRO A 112 17.891 134.376 205.422 1.00101.03 N ATOM 674 CA PRO A 112 16.559 134.550 204.793 1.00 98.61 C ATOM 675 C PRO A 112 16.268 135.956 204.269 1.00 99.28 C ATOM 676 O PRO A 112 15.694 136.065 203.191 1.00 97.71 O ATOM 677 CB PRO A 112 15.571 134.144 205.892 1.00 99.63 C ATOM 678 CG PRO A 112 16.331 133.321 206.813 1.00105.65 C ATOM 679 CD PRO A 112 17.762 133.774 206.765 1.00102.36 C ATOM 680 N ILE A 113 16.687 137.018 205.006 1.00 94.87 N ATOM 681 CA ILE A 113 16.494 138.423 204.611 1.00 93.12 C ATOM 682 C ILE A 113 17.322 138.736 203.372 1.00 98.51 C ATOM 683 O ILE A 113 16.819 139.397 202.460 1.00 97.41 O ATOM 684 CB ILE A 113 16.733 139.417 205.786 1.00 95.42 C ATOM 685 CG1 ILE A 113 15.647 139.252 206.861 1.00 94.50 C ATOM 686 CG2 ILE A 113 16.789 140.875 205.305 1.00 95.15 C ATOM 687 CD1 ILE A 113 16.134 139.420 208.246 1.00104.03 C ATOM 698 N VAL A 116 15.665 136.685 200.270 1.00 91.96 N ATOM 699 CA VAL A 116 14.381 137.221 199.804 1.00 89.38 C ATOM 700 C VAL A 116 14.605 138.547 199.055 1.00 94.23 C ATOM 701 O VAL A 116 14.008 138.739 197.990 1.00 93.59 O ATOM 702 CB VAL A 116 13.276 137.301 200.884 1.00 90.67 C ATOM 703 CG1 VAL A 116 11.976 137.851 200.308 1.00 88.67 C ATOM 704 CG2 VAL A 116 13.017 135.936 201.498 1.00 91.30 C ATOM 1076 N ALA A 165 19.924 141.910 211.817 1.00108.42 N ATOM 1077 CA ALA A 165 19.181 140.723 212.276 1.00107.99 C ATOM 1078 C ALA A 165 20.107 139.557 212.641 1.00114.55 C ATOM 1079 O ALA A 165 19.773 138.767 213.521 1.00114.21 O ATOM 1080 CB ALA A 165 18.163 140.283 211.239 1.00107.54 C ATOM 1202 N ILE A 182 16.776 136.843 219.173 1.00110.42 N ATOM 1203 CA ILE A 182 17.450 138.079 218.765 1.00110.51 C ATOM 1204 C ILE A 182 17.096 139.221 219.747 1.00115.77 C ATOM 1205 O ILE A 182 15.923 139.586 219.923 1.00114.42 O ATOM 1206 CB ILE A 182 17.260 138.428 217.241 1.00112.34 C ATOM 1207 CG1 ILE A 182 17.355 139.953 216.972 1.00111.84 C ATOM 1208 CG2 ILE A 182 15.979 137.815 216.641 1.00111.82 C ATOM 1209 CD1 ILE A 182 17.662 140.331 215.583 1.00120.89 C ATOM 1219 N TRP A 184 18.119 143.167 220.752 1.00115.98 N ATOM 1220 CA TRP A 184 18.653 144.487 220.410 1.00117.24 C ATOM 1221 C TRP A 184 18.992 145.266 221.695 1.00126.87 C ATOM 1222 O TRP A 184 18.427 144.931 222.737 1.00126.00 O ATOM 1223 CB TRP A 184 17.609 145.261 219.580 1.00114.36 C ATOM 1224 CG TRP A 184 17.522 144.855 218.135 1.00114.15 C ATOM 1225 CD1 TRP A 184 17.177 143.630 217.644 1.00116.35 C ATOM 1226 CD2 TRP A 184 17.717 145.703 216.994 1.00113.75 C ATOM 1227 NE1 TRP A 184 17.194 143.650 216.272 1.00115.09 N ATOM 1228 CE2 TRP A 184 17.501 144.913 215.845 1.00116.62 C ATOM 1229 CE3 TRP A 184 18.066 147.053 216.829 1.00115.50 C ATOM 1230 CZ2 TRP A 184 17.631 145.424 214.552 1.00115.65 C ATOM 1231 CZ3 TRP A 184 18.170 147.563 215.546 1.00116.69 C ATOM 1232 CH2 TRP A 184 17.953 146.753 214.426 1.00116.42 C ATOM 1289 N GLU A 193 14.458 148.375 216.647 1.00115.70 N ATOM 1290 CA GLU A 193 14.102 147.001 216.286 1.00112.22 C ATOM 1291 C GLU A 193 12.819 146.990 215.442 1.00110.87 C ATOM 1292 O GLU A 193 12.768 146.296 214.429 1.00109.05 O ATOM 1293 CB GLU A 193 13.951 146.129 217.552 1.00113.71 C ATOM 1294 CG GLU A 193 13.805 144.632 217.281 1.00122.76 C ATOM 1295 CD GLU A 193 13.768 143.653 218.448 1.00135.39 C ATOM 1296 OE1 GLU A 193 14.055 144.054 219.599 1.00118.26 O ATOM 1297 OE2 GLU A 193 13.465 142.463 218.198 1.00129.18 O ATOM 1310 N TYR A 196 13.448 148.921 211.869 1.00 97.44 N ATOM 1311 CA TYR A 196 14.201 147.972 211.050 1.00 97.04 C ATOM 1312 C TYR A 196 13.266 146.885 210.511 1.00100.62 C ATOM 1313 O TYR A 196 13.255 146.660 209.300 1.00100.20 O ATOM 1314 CB TYR A 196 15.357 147.362 211.867 1.00 98.59 C ATOM 1315 CG TYR A 196 16.077 146.209 211.206 1.00 99.76 C ATOM 1316 CD1 TYR A 196 16.999 146.428 210.189 1.00102.19 C ATOM 1317 CD2 TYR A 196 15.878 144.900 211.636 1.00100.35 C ATOM 1318 CE1 TYR A 196 17.679 145.370 209.591 1.00103.10 C ATOM 1319 CE2 TYR A 196 16.566 143.835 211.055 1.00101.63 C ATOM 1320 CZ TYR A 196 17.468 144.076 210.035 1.00108.47 C ATOM 1321 OH TYR A 196 18.142 143.031 209.458 1.00109.75 O ATOM 1322 N HIS A 197 12.449 146.256 211.395 1.00 96.57 N ATOM 1323 CA HIS A 197 11.495 145.221 210.998 1.00 95.46 C ATOM 1324 C HIS A 197 10.556 145.735 209.911 1.00 96.86 C ATOM 1325 O HIS A 197 10.311 145.022 208.937 1.00 95.76 O ATOM 1326 CB HIS A 197 10.696 144.700 212.200 1.00 96.85 C ATOM 1327 CG HIS A 197 9.584 143.772 211.805 1.00100.49 C ATOM 1328 ND1 HIS A 197 9.805 142.429 211.613 1.00102.99 N ATOM 1329 CD2 HIS A 197 8.289 144.042 211.520 1.00102.48 C ATOM 1330 CE1 HIS A 197 8.641 141.919 211.242 1.00102.21 C ATOM 1331 NE2 HIS A 197 7.703 142.851 211.165 1.00102.10 N ATOM 1346 N VAL A 200 12.540 146.454 206.439 1.00 96.28 N ATOM 1347 CA VAL A 200 12.833 145.172 205.799 1.00 95.80 C ATOM 1348 C VAL A 200 11.571 144.720 205.067 1.00 99.81 C ATOM 1349 O VAL A 200 11.644 144.465 203.866 1.00 99.39 O ATOM 1350 CB VAL A 200 13.388 144.131 206.814 1.00 99.53 C ATOM 1351 CG1 VAL A 200 13.341 142.712 206.260 1.00 99.36 C ATOM 1352 CG2 VAL A 200 14.807 144.490 207.249 1.00100.33 C ATOM 1353 N THR A 201 10.403 144.752 205.760 1.00 96.46 N ATOM 1354 CA THR A 201 9.084 144.400 205.213 1.00 95.79 C ATOM 1355 C THR A 201 8.757 145.248 203.945 1.00100.43 C ATOM 1356 O THR A 201 8.136 144.731 203.010 1.00100.36 O ATOM 1357 CB THR A 201 8.011 144.465 206.330 1.00100.19 C ATOM 1358 OG1 THR A 201 8.293 143.471 207.322 1.00101.98 O ATOM 1359 CG2 THR A 201 6.607 144.240 205.821 1.00 96.15 C ATOM 1375 N ILE A 204 11.630 144.286 200.969 1.00100.22 N ATOM 1376 CA ILE A 204 11.503 142.878 200.590 1.00100.52 C ATOM 1377 C ILE A 204 10.112 142.541 200.016 1.00101.96 C ATOM 1378 O ILE A 204 9.964 141.493 199.379 1.00101.63 O ATOM 1379 CB ILE A 204 11.916 142.011 201.830 1.00104.90 C ATOM 1380 CG1 ILE A 204 13.341 141.508 201.667 1.00107.80 C ATOM 1381 CG2 ILE A 204 10.956 140.879 202.250 1.00104.73 C ATOM 1382 CD1 ILE A 204 14.298 142.157 202.623 1.00121.13 C ATOM 2609 N TRP A 261 4.126 135.277 200.335 1.00101.08 N ATOM 2610 CA TRP A 261 4.718 136.060 201.416 1.00100.01 C ATOM 2611 C TRP A 261 3.724 136.887 202.244 1.00101.71 C ATOM 2612 O TRP A 261 4.049 137.225 203.384 1.00100.86 O ATOM 2613 CB TRP A 261 5.881 136.925 200.888 1.00 98.25 C ATOM 2614 CG TRP A 261 7.108 136.090 200.661 1.00100.54 C ATOM 2615 CD1 TRP A 261 7.525 135.557 199.474 1.00104.12 C ATOM 2616 CD2 TRP A 261 7.937 135.497 201.679 1.00101.46 C ATOM 2617 NE1 TRP A 261 8.605 134.722 199.680 1.00105.04 N ATOM 2618 CE2 TRP A 261 8.879 134.668 201.025 1.00106.89 C ATOM 2619 CE3 TRP A 261 7.987 135.601 203.084 1.00102.44 C ATOM 2620 CZ2 TRP A 261 9.879 133.974 201.724 1.00107.59 C ATOM 2621 CZ3 TRP A 261 8.982 134.921 203.772 1.00105.04 C ATOM 2622 CH2 TRP A 261 9.909 134.114 203.097 1.00107.14 C ATOM 2638 N PHE A 264 2.842 135.513 205.869 1.00 96.87 N ATOM 2639 CA PHE A 264 4.069 135.588 206.652 1.00 96.64 C ATOM 2640 C PHE A 264 4.267 137.000 207.185 1.00100.00 C ATOM 2641 O PHE A 264 4.449 137.163 208.393 1.00100.31 O ATOM 2642 CB PHE A 264 5.283 135.114 205.831 1.00 98.23 C ATOM 2643 CG PHE A 264 6.583 135.038 206.604 1.00 99.61 C ATOM 2644 CD1 PHE A 264 6.974 133.857 207.220 1.00103.74 C ATOM 2645 CD2 PHE A 264 7.422 136.142 206.699 1.00100.34 C ATOM 2646 CE1 PHE A 264 8.168 133.790 207.939 1.00105.23 C ATOM 2647 CE2 PHE A 264 8.615 136.072 207.415 1.00103.73 C ATOM 2648 CZ PHE A 264 8.980 134.897 208.030 1.00103.32 C ATOM 2649 N HIS A 265 4.193 138.014 206.303 1.00 95.49 N ATOM 2650 CA HIS A 265 4.363 139.406 206.703 1.00 95.09 C ATOM 2651 C HIS A 265 3.275 139.882 207.661 1.00100.66 C ATOM 2652 O HIS A 265 3.597 140.585 208.614 1.00100.40 O ATOM 2653 CB HIS A 265 4.512 140.327 205.493 1.00 94.87 C ATOM 2654 CG HIS A 265 5.801 140.110 204.762 1.00 98.37 C ATOM 2655 ND1 HIS A 265 7.024 140.165 205.414 1.00100.53 N ATOM 2656 CD2 HIS A 265 6.017 139.846 203.453 1.00100.00 C ATOM 2657 CE1 HIS A 265 7.935 139.931 204.486 1.00100.12 C ATOM 2658 NE2 HIS A 265 7.378 139.737 203.289 1.00100.20 N ATOM 2678 N PHE A 268 3.916 138.416 211.377 1.00102.01 N ATOM 2679 CA PHE A 268 4.903 139.179 212.138 1.00101.78 C ATOM 2680 C PHE A 268 4.517 140.640 212.355 1.00106.48 C ATOM 2681 O PHE A 268 5.116 141.307 213.200 1.00106.36 O ATOM 2682 CB PHE A 268 6.287 139.054 211.495 1.00103.21 C ATOM 2683 CG PHE A 268 6.903 137.695 211.700 1.00105.71 C ATOM 2684 CD1 PHE A 268 7.701 137.437 212.806 1.00109.43 C ATOM 2685 CD2 PHE A 268 6.669 136.664 210.800 1.00108.53 C ATOM 2686 CE1 PHE A 268 8.255 136.174 213.009 1.00111.58 C ATOM 2687 CE2 PHE A 268 7.221 135.399 211.005 1.00112.85 C ATOM 2688 CZ PHE A 268 8.019 135.165 212.102 1.00111.66 C ATOM 2812 N TYR A 287 1.642 128.842 212.626 1.00113.60 N ATOM 2813 CA TYR A 287 2.974 129.247 212.190 1.00111.30 C ATOM 2814 C TYR A 287 3.555 128.232 211.224 1.00117.26 C ATOM 2815 O TYR A 287 4.142 128.639 210.229 1.00116.84 O ATOM 2816 CB TYR A 287 3.951 129.562 213.345 1.00111.37 C ATOM 2817 CG TYR A 287 5.286 130.085 212.843 1.00111.76 C ATOM 2818 CD1 TYR A 287 5.355 131.217 212.030 1.00112.12 C ATOM 2819 CD2 TYR A 287 6.470 129.406 213.113 1.00113.38 C ATOM 2820 CE1 TYR A 287 6.570 131.665 211.507 1.00112.72 C ATOM 2821 CE2 TYR A 287 7.696 129.856 212.613 1.00113.52 C ATOM 2822 CZ TYR A 287 7.742 130.986 211.806 1.00120.96 C ATOM 2823 OH TYR A 287 8.944 131.444 211.299 1.00121.29 O ATOM 2845 N MET A 291 4.560 129.448 207.610 1.00113.33 N ATOM 2846 CA MET A 291 5.967 129.268 207.238 1.00113.94 C ATOM 2847 C MET A 291 6.128 128.292 206.055 1.00119.64 C ATOM 2848 O MET A 291 7.099 128.426 205.306 1.00118.90 O ATOM 2849 CB MET A 291 6.813 128.838 208.448 1.00117.52 C ATOM 2850 CG MET A 291 8.308 128.996 208.243 1.00121.46 C ATOM 2851 SD MET A 291 9.301 128.444 209.654 1.00127.64 S ATOM 2852 CE MET A 291 9.048 126.673 209.586 1.00127.40 C ATOM 2875 N ALA A 294 5.340 130.454 202.673 1.00114.13 N ATOM 2876 CA ALA A 294 6.465 131.370 202.447 1.00112.35 C ATOM 2877 C ALA A 294 7.650 130.644 201.811 1.00117.40 C ATOM 2878 O ALA A 294 8.163 131.089 200.784 1.00117.23 O ATOM 2879 CB ALA A 294 6.887 132.009 203.758 1.00112.27 C ATOM 2880 N MET A 295 8.029 129.493 202.379 1.00114.97 N ATOM 2881 CA MET A 295 9.137 128.676 201.895 1.00116.45 C ATOM 2882 C MET A 295 8.833 127.928 200.585 1.00120.67 C ATOM 2883 O MET A 295 9.776 127.553 199.888 1.00121.83 O ATOM 2884 CB MET A 295 9.630 127.710 202.991 1.00120.72 C ATOM 2885 CG MET A 295 10.247 128.421 204.186 1.00123.37 C ATOM 2886 SD MET A 295 11.992 128.041 204.455 1.00129.45 S ATOM 2887 CE MET A 295 12.750 128.974 203.138 1.00125.56 C CONECT 1 28 29 27 9 CONECT 1 CONECT 2 31 3 38 39 CONECT 2 CONECT 3 36 2 40 41 CONECT 3 CONECT 4 31 16 42 43 CONECT 4 CONECT 5 6 44 45 46 CONECT 5 CONECT 6 7 5 35 47 CONECT 6 CONECT 7 8 12 6 CONECT 8 9 7 48 CONECT 9 1 10 8 CONECT 10 9 11 49 CONECT 11 10 13 12 CONECT 12 11 7 50 CONECT 13 26 24 11 25 CONECT 13 CONECT 14 35 15 36 51 CONECT 14 CONECT 15 18 14 31 52 CONECT 15 CONECT 16 34 4 32 CONECT 17 33 32 37 CONECT 18 23 19 15 CONECT 19 20 18 53 CONECT 20 21 19 54 CONECT 21 30 22 20 CONECT 22 21 23 55 CONECT 23 22 18 56 CONECT 24 13 CONECT 25 13 CONECT 26 13 CONECT 27 1 CONECT 28 1 CONECT 29 1 CONECT 30 21 CONECT 31 15 4 2 57 CONECT 31 CONECT 32 16 17 CONECT 33 34 17 CONECT 34 33 16 CONECT 35 6 14 CONECT 36 14 3 CONECT 37 17 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 8 CONECT 49 10 CONECT 50 12 CONECT 51 14 CONECT 52 15 CONECT 53 19 CONECT 54 20 CONECT 55 22 CONECT 56 23 CONECT 57 31 MASTER 0 0 0 0 0 0 0 0 57 0 57 0 END