COMPND /tmp/interactions/results/3C9L/ligand/RET_3C9L.pdb AUTHOR GENERATED BY OPEN BABEL 2.3.2 HETATM 1 C1 RET A1332 -18.074 53.693 -1.661 1.00 0.00 C HETATM 2 C2 RET A1332 -18.184 52.169 -1.644 1.00 0.00 C HETATM 3 C3 RET A1332 -16.970 51.446 -1.085 1.00 0.00 C HETATM 4 C4 RET A1332 -15.706 51.911 -1.793 1.00 0.00 C HETATM 5 C5 RET A1332 -15.563 53.420 -1.777 1.00 0.00 C HETATM 6 C6 RET A1332 -16.645 54.234 -1.724 1.00 0.00 C HETATM 7 C7 RET A1332 -16.520 55.725 -1.737 1.00 0.00 C HETATM 8 C8 RET A1332 -15.831 56.387 -0.799 1.00 0.00 C HETATM 9 C9 RET A1332 -15.632 57.854 -0.698 1.00 0.00 C HETATM 10 C10 RET A1332 -14.774 58.257 0.281 1.00 0.00 C HETATM 11 C11 RET A1332 -14.401 59.647 0.576 1.00 0.00 C HETATM 12 C12 RET A1332 -13.681 60.134 1.611 1.00 0.00 C HETATM 13 C13 RET A1332 -13.067 59.492 2.806 1.00 0.00 C HETATM 14 C14 RET A1332 -12.181 60.234 3.520 1.00 0.00 C HETATM 15 C15 RET A1332 -11.481 59.812 4.743 1.00 0.00 C HETATM 16 C16 RET A1332 -18.855 54.168 -2.880 1.00 0.00 C HETATM 17 C17 RET A1332 -18.720 54.235 -0.388 1.00 0.00 C HETATM 18 C18 RET A1332 -14.151 53.957 -1.839 1.00 0.00 C HETATM 19 C19 RET A1332 -16.365 58.789 -1.618 1.00 0.00 C HETATM 20 C20 RET A1332 -13.443 58.107 3.249 1.00 0.00 C ATOM 900 N GLU A 113 -8.460 65.964 -0.354 1.00 49.00 N ATOM 901 CA GLU A 113 -8.756 64.978 0.676 1.00 49.50 C ATOM 902 C GLU A 113 -9.779 63.975 0.147 1.00 52.78 C ATOM 903 O GLU A 113 -9.646 62.767 0.336 1.00 50.50 O ATOM 904 CB GLU A 113 -9.322 65.693 1.904 1.00 52.68 C ATOM 905 CG GLU A 113 -8.848 65.160 3.257 1.00 56.47 C ATOM 906 CD GLU A 113 -9.554 63.872 3.682 1.00 62.37 C ATOM 907 OE1 GLU A 113 -10.789 63.783 3.485 1.00 65.36 O ATOM 908 OE2 GLU A 113 -8.881 62.955 4.218 1.00 56.22 O ATOM 909 N GLY A 114 -10.800 64.492 -0.533 1.00 54.06 N ATOM 910 CA GLY A 114 -11.875 63.665 -1.056 1.00 49.40 C ATOM 911 C GLY A 114 -11.474 62.878 -2.287 1.00 48.53 C ATOM 912 O GLY A 114 -11.792 61.695 -2.426 1.00 48.43 O ATOM 935 N ALA A 117 -8.809 59.993 -1.422 1.00 46.27 N ATOM 936 CA ALA A 117 -9.433 58.982 -0.594 1.00 47.17 C ATOM 937 C ALA A 117 -10.306 58.144 -1.506 1.00 45.79 C ATOM 938 O ALA A 117 -10.189 56.917 -1.541 1.00 48.40 O ATOM 939 CB ALA A 117 -10.240 59.610 0.500 1.00 46.11 C ATOM 940 N THR A 118 -11.151 58.823 -2.272 1.00 41.88 N ATOM 941 CA THR A 118 -12.043 58.138 -3.188 1.00 46.49 C ATOM 942 C THR A 118 -11.251 57.327 -4.192 1.00 41.82 C ATOM 943 O THR A 118 -11.553 56.174 -4.460 1.00 45.50 O ATOM 944 CB THR A 118 -12.987 59.115 -3.885 1.00 44.85 C ATOM 945 OG1 THR A 118 -13.679 59.882 -2.888 1.00 48.16 O ATOM 946 CG2 THR A 118 -13.994 58.357 -4.683 1.00 41.25 C ATOM 959 N GLY A 121 -9.578 54.227 -2.503 1.00 45.64 N ATOM 960 CA GLY A 121 -10.577 53.226 -2.169 1.00 49.50 C ATOM 961 C GLY A 121 -11.061 52.460 -3.392 1.00 53.14 C ATOM 962 O GLY A 121 -11.075 51.219 -3.400 1.00 52.21 O ATOM 963 N GLU A 122 -11.462 53.206 -4.421 1.00 44.97 N ATOM 964 CA GLU A 122 -11.884 52.628 -5.693 1.00 45.43 C ATOM 965 C GLU A 122 -10.797 51.811 -6.405 1.00 47.53 C ATOM 966 O GLU A 122 -11.081 50.750 -6.966 1.00 45.84 O ATOM 967 CB GLU A 122 -12.418 53.720 -6.623 1.00 45.13 C ATOM 968 CG GLU A 122 -13.823 54.201 -6.277 1.00 45.47 C ATOM 969 CD GLU A 122 -14.839 53.047 -6.142 1.00 51.05 C ATOM 970 OE1 GLU A 122 -14.781 52.076 -6.922 1.00 49.97 O ATOM 971 OE2 GLU A 122 -15.704 53.103 -5.245 1.00 56.53 O ATOM 985 N LEU A 125 -10.855 48.622 -4.735 1.00 48.70 N ATOM 986 CA LEU A 125 -12.052 47.850 -5.098 1.00 45.68 C ATOM 987 C LEU A 125 -11.900 47.183 -6.465 1.00 49.70 C ATOM 988 O LEU A 125 -12.072 45.969 -6.624 1.00 44.55 O ATOM 989 CB LEU A 125 -13.278 48.756 -5.153 1.00 45.68 C ATOM 990 CG LEU A 125 -14.616 48.164 -4.715 1.00 48.66 C ATOM 991 CD1 LEU A 125 -15.754 48.761 -5.525 1.00 44.89 C ATOM 992 CD2 LEU A 125 -14.617 46.631 -4.771 1.00 44.32 C ATOM 1426 N GLU A 181 -17.184 66.313 6.002 1.00 54.09 N ATOM 1427 CA GLU A 181 -18.007 65.333 6.686 1.00 52.62 C ATOM 1428 C GLU A 181 -17.674 65.272 8.166 1.00 55.12 C ATOM 1429 O GLU A 181 -16.564 65.614 8.566 1.00 58.74 O ATOM 1430 CB GLU A 181 -17.781 63.957 6.069 1.00 53.57 C ATOM 1431 CG GLU A 181 -18.373 63.820 4.682 1.00 58.42 C ATOM 1432 CD GLU A 181 -18.587 62.369 4.280 1.00 62.36 C ATOM 1433 OE1 GLU A 181 -17.594 61.713 3.884 1.00 55.90 O ATOM 1434 OE2 GLU A 181 -19.749 61.894 4.354 1.00 61.56 O ATOM 1462 N SER A 186 -12.492 65.797 7.142 1.00 53.09 N ATOM 1463 CA SER A 186 -12.267 64.942 5.988 1.00 52.59 C ATOM 1464 C SER A 186 -13.381 65.255 5.012 1.00 54.64 C ATOM 1465 O SER A 186 -14.413 65.818 5.391 1.00 53.10 O ATOM 1466 CB SER A 186 -12.236 63.447 6.365 1.00 52.82 C ATOM 1467 OG SER A 186 -13.517 62.931 6.692 1.00 53.80 O ATOM 1474 N GLY A 188 -15.890 63.867 1.737 1.00 56.59 N ATOM 1475 CA GLY A 188 -16.451 62.777 0.961 1.00 50.76 C ATOM 1476 C GLY A 188 -17.396 63.277 -0.112 1.00 53.04 C ATOM 1477 O GLY A 188 -17.566 64.480 -0.308 1.00 51.99 O ATOM 1478 N ILE A 189 -17.998 62.339 -0.828 1.00 50.69 N ATOM 1479 CA ILE A 189 -19.015 62.673 -1.807 1.00 52.51 C ATOM 1480 C ILE A 189 -20.205 63.344 -1.105 1.00 49.03 C ATOM 1481 O ILE A 189 -20.453 63.093 0.067 1.00 48.41 O ATOM 1482 CB ILE A 189 -19.413 61.411 -2.606 1.00 52.30 C ATOM 1483 CG1 ILE A 189 -18.311 61.097 -3.623 1.00 50.16 C ATOM 1484 CG2 ILE A 189 -20.814 61.544 -3.249 1.00 44.97 C ATOM 1485 CD1 ILE A 189 -17.973 62.278 -4.561 1.00 47.01 C ATOM 1494 N TYR A 191 -23.494 63.293 -0.032 1.00 53.53 N ATOM 1495 CA TYR A 191 -24.702 62.517 0.264 1.00 51.68 C ATOM 1496 C TYR A 191 -25.674 63.380 1.058 1.00 55.62 C ATOM 1497 O TYR A 191 -26.795 62.958 1.364 1.00 52.41 O ATOM 1498 CB TYR A 191 -24.367 61.262 1.079 1.00 52.08 C ATOM 1499 CG TYR A 191 -22.977 60.719 0.846 1.00 54.74 C ATOM 1500 CD1 TYR A 191 -22.632 60.109 -0.359 1.00 55.47 C ATOM 1501 CD2 TYR A 191 -22.001 60.819 1.832 1.00 53.45 C ATOM 1502 CE1 TYR A 191 -21.347 59.611 -0.573 1.00 52.40 C ATOM 1503 CE2 TYR A 191 -20.725 60.331 1.628 1.00 49.38 C ATOM 1504 CZ TYR A 191 -20.403 59.731 0.427 1.00 50.96 C ATOM 1505 OH TYR A 191 -19.129 59.247 0.237 1.00 56.69 O ATOM 1636 N MET A 207 -22.475 56.013 -8.186 1.00 48.10 N ATOM 1637 CA MET A 207 -21.373 55.554 -7.354 1.00 49.33 C ATOM 1638 C MET A 207 -21.671 54.206 -6.680 1.00 50.44 C ATOM 1639 O MET A 207 -20.901 53.250 -6.807 1.00 50.09 O ATOM 1640 CB MET A 207 -21.072 56.631 -6.305 1.00 46.99 C ATOM 1641 CG MET A 207 -19.852 56.398 -5.434 1.00 50.79 C ATOM 1642 SD MET A 207 -19.882 57.443 -3.940 1.00 63.44 S ATOM 1643 CE MET A 207 -21.249 56.739 -3.011 1.00 53.09 C ATOM 1644 N PHE A 208 -22.793 54.135 -5.966 1.00 51.30 N ATOM 1645 CA PHE A 208 -23.159 52.928 -5.223 1.00 50.22 C ATOM 1646 C PHE A 208 -23.393 51.747 -6.150 1.00 51.90 C ATOM 1647 O PHE A 208 -23.075 50.608 -5.815 1.00 52.68 O ATOM 1648 CB PHE A 208 -24.390 53.161 -4.341 1.00 49.69 C ATOM 1649 CG PHE A 208 -24.061 53.682 -2.967 1.00 52.25 C ATOM 1650 CD1 PHE A 208 -23.329 52.907 -2.067 1.00 58.43 C ATOM 1651 CD2 PHE A 208 -24.483 54.941 -2.568 1.00 49.64 C ATOM 1652 CE1 PHE A 208 -23.012 53.389 -0.781 1.00 54.53 C ATOM 1653 CE2 PHE A 208 -24.180 55.430 -1.292 1.00 50.74 C ATOM 1654 CZ PHE A 208 -23.442 54.654 -0.395 1.00 48.53 C ATOM 1679 N PHE A 212 -19.590 50.173 -6.454 1.00 50.91 N ATOM 1680 CA PHE A 212 -19.678 49.396 -5.233 1.00 53.21 C ATOM 1681 C PHE A 212 -20.326 48.057 -5.531 1.00 51.47 C ATOM 1682 O PHE A 212 -19.660 47.023 -5.475 1.00 48.17 O ATOM 1683 CB PHE A 212 -20.457 50.151 -4.161 1.00 51.77 C ATOM 1684 CG PHE A 212 -20.524 49.429 -2.851 1.00 55.47 C ATOM 1685 CD1 PHE A 212 -19.363 49.084 -2.179 1.00 57.16 C ATOM 1686 CD2 PHE A 212 -21.748 49.098 -2.283 1.00 59.07 C ATOM 1687 CE1 PHE A 212 -19.419 48.415 -0.958 1.00 58.85 C ATOM 1688 CE2 PHE A 212 -21.809 48.433 -1.066 1.00 57.66 C ATOM 1689 CZ PHE A 212 -20.645 48.093 -0.404 1.00 54.21 C ATOM 2065 N PHE A 261 -11.372 44.572 2.774 1.00 49.10 N ATOM 2066 CA PHE A 261 -12.002 45.722 2.134 1.00 50.93 C ATOM 2067 C PHE A 261 -13.414 45.990 2.674 1.00 49.56 C ATOM 2068 O PHE A 261 -13.794 47.141 2.929 1.00 50.15 O ATOM 2069 CB PHE A 261 -12.037 45.562 0.620 1.00 46.41 C ATOM 2070 CG PHE A 261 -12.740 46.691 -0.088 1.00 52.17 C ATOM 2071 CD1 PHE A 261 -14.137 46.724 -0.168 1.00 48.49 C ATOM 2072 CD2 PHE A 261 -12.012 47.725 -0.672 1.00 48.73 C ATOM 2073 CE1 PHE A 261 -14.797 47.761 -0.826 1.00 45.56 C ATOM 2074 CE2 PHE A 261 -12.666 48.768 -1.339 1.00 49.33 C ATOM 2075 CZ PHE A 261 -14.061 48.786 -1.413 1.00 44.06 C ATOM 2098 N TRP A 265 -14.565 49.307 4.540 1.00 49.41 N ATOM 2099 CA TRP A 265 -15.414 50.275 3.830 1.00 49.26 C ATOM 2100 C TRP A 265 -16.915 50.156 4.052 1.00 46.66 C ATOM 2101 O TRP A 265 -17.627 51.136 3.908 1.00 46.49 O ATOM 2102 CB TRP A 265 -15.145 50.267 2.318 1.00 47.18 C ATOM 2103 CG TRP A 265 -13.842 50.873 1.950 1.00 47.43 C ATOM 2104 CD1 TRP A 265 -12.667 50.213 1.722 1.00 46.77 C ATOM 2105 CD2 TRP A 265 -13.562 52.264 1.775 1.00 45.04 C ATOM 2106 NE1 TRP A 265 -11.675 51.105 1.416 1.00 44.53 N ATOM 2107 CE2 TRP A 265 -12.199 52.371 1.436 1.00 43.51 C ATOM 2108 CE3 TRP A 265 -14.334 53.430 1.861 1.00 43.15 C ATOM 2109 CZ2 TRP A 265 -11.595 53.593 1.175 1.00 42.82 C ATOM 2110 CZ3 TRP A 265 -13.731 54.639 1.610 1.00 39.73 C ATOM 2111 CH2 TRP A 265 -12.373 54.713 1.272 1.00 45.02 C ATOM 2127 N TYR A 268 -18.431 52.853 6.332 1.00 48.90 N ATOM 2128 CA TYR A 268 -18.549 54.142 5.651 1.00 48.90 C ATOM 2129 C TYR A 268 -19.716 54.129 4.660 1.00 45.50 C ATOM 2130 O TYR A 268 -20.548 55.037 4.637 1.00 45.12 O ATOM 2131 CB TYR A 268 -17.245 54.506 4.937 1.00 42.38 C ATOM 2132 CG TYR A 268 -17.322 55.840 4.240 1.00 44.59 C ATOM 2133 CD1 TYR A 268 -17.226 57.013 4.964 1.00 46.33 C ATOM 2134 CD2 TYR A 268 -17.527 55.931 2.864 1.00 46.14 C ATOM 2135 CE1 TYR A 268 -17.308 58.246 4.351 1.00 47.32 C ATOM 2136 CE2 TYR A 268 -17.614 57.170 2.231 1.00 47.79 C ATOM 2137 CZ TYR A 268 -17.493 58.324 2.980 1.00 49.89 C ATOM 2138 OH TYR A 268 -17.569 59.556 2.361 1.00 48.86 O ATOM 2139 N ALA A 269 -19.742 53.077 3.851 1.00 43.24 N ATOM 2140 CA ALA A 269 -20.819 52.781 2.928 1.00 44.52 C ATOM 2141 C ALA A 269 -22.185 52.933 3.584 1.00 49.00 C ATOM 2142 O ALA A 269 -22.999 53.720 3.132 1.00 45.70 O ATOM 2143 CB ALA A 269 -20.651 51.381 2.406 1.00 43.44 C ATOM 2317 N ALA A 292 -15.459 57.243 8.474 1.00 47.64 N ATOM 2318 CA ALA A 292 -14.626 57.882 7.463 1.00 45.62 C ATOM 2319 C ALA A 292 -13.140 57.698 7.758 1.00 50.81 C ATOM 2320 O ALA A 292 -12.382 57.227 6.901 1.00 51.63 O ATOM 2321 CB ALA A 292 -14.967 59.351 7.342 1.00 46.02 C ATOM 2322 N PHE A 293 -12.728 58.068 8.969 1.00 48.88 N ATOM 2323 CA PHE A 293 -11.326 57.959 9.372 1.00 47.59 C ATOM 2324 C PHE A 293 -10.910 56.507 9.480 1.00 46.99 C ATOM 2325 O PHE A 293 -9.762 56.164 9.240 1.00 49.06 O ATOM 2326 CB PHE A 293 -11.054 58.739 10.666 1.00 43.69 C ATOM 2327 CG PHE A 293 -10.933 60.200 10.444 1.00 46.57 C ATOM 2328 CD1 PHE A 293 -12.054 60.956 10.132 1.00 46.77 C ATOM 2329 CD2 PHE A 293 -9.690 60.814 10.457 1.00 52.58 C ATOM 2330 CE1 PHE A 293 -11.946 62.302 9.875 1.00 44.00 C ATOM 2331 CE2 PHE A 293 -9.564 62.171 10.199 1.00 50.15 C ATOM 2332 CZ PHE A 293 -10.693 62.915 9.908 1.00 50.47 C ATOM 2344 N ALA A 295 -12.001 54.122 7.541 1.00 49.58 N ATOM 2345 CA ALA A 295 -11.831 53.704 6.159 1.00 45.01 C ATOM 2346 C ALA A 295 -10.444 54.060 5.621 1.00 49.61 C ATOM 2347 O ALA A 295 -9.930 53.398 4.710 1.00 41.77 O ATOM 2348 CB ALA A 295 -12.892 54.320 5.311 1.00 37.89 C ATOM 2349 N LYS A 296 -9.838 55.100 6.197 1.00 45.99 N ATOM 2350 CA LYS A 296 -8.552 55.579 5.720 1.00 43.67 C ATOM 2351 C LYS A 296 -7.410 54.612 6.018 1.00 51.20 C ATOM 2352 O LYS A 296 -6.282 54.834 5.556 1.00 50.46 O ATOM 2353 CB LYS A 296 -8.235 56.945 6.299 1.00 44.09 C ATOM 2354 CG LYS A 296 -9.292 57.968 6.039 1.00 48.05 C ATOM 2355 CD LYS A 296 -8.846 59.340 6.503 1.00 47.95 C ATOM 2356 CE LYS A 296 -10.039 60.260 6.664 1.00 50.86 C ATOM 2357 NZ LYS A 296 -10.658 60.645 5.354 1.00 53.22 N CONECT 1 16 6 2 17 CONECT 1 CONECT 2 1 3 21 22 CONECT 2 CONECT 3 4 2 23 24 CONECT 3 CONECT 4 5 3 25 26 CONECT 4 CONECT 5 18 4 6 CONECT 6 5 7 1 CONECT 7 6 8 27 CONECT 8 7 9 28 CONECT 9 19 8 10 CONECT 10 9 11 29 CONECT 11 10 12 30 CONECT 12 11 13 31 CONECT 13 12 20 14 CONECT 14 13 15 32 CONECT 15 14 33 34 35 CONECT 15 CONECT 16 1 36 37 38 CONECT 16 CONECT 17 1 39 40 41 CONECT 17 CONECT 18 5 42 43 44 CONECT 18 CONECT 19 9 45 46 47 CONECT 19 CONECT 20 13 48 49 50 CONECT 20 CONECT 21 2 CONECT 22 2 CONECT 23 3 CONECT 24 3 CONECT 25 4 CONECT 26 4 CONECT 27 7 CONECT 28 8 CONECT 29 10 CONECT 30 11 CONECT 31 12 CONECT 32 14 CONECT 33 15 CONECT 34 15 CONECT 35 15 CONECT 36 16 CONECT 37 16 CONECT 38 16 CONECT 39 17 CONECT 40 17 CONECT 41 17 CONECT 42 18 CONECT 43 18 CONECT 44 18 CONECT 45 19 CONECT 46 19 CONECT 47 19 CONECT 48 20 CONECT 49 20 CONECT 50 20 MASTER 0 0 0 0 0 0 0 0 50 0 50 0 END