COMPND /tmp/interactions/results/5O9H/ligand/9P2_5O9H.pdb AUTHOR GENERATED BY OPEN BABEL 2.3.2 HETATM 1 C15 9P2 A 401 102.111 -11.354 29.647 1.00 0.00 C HETATM 2 C16 9P2 A 401 102.308 -12.603 29.052 1.00 0.00 C HETATM 3 C17 9P2 A 401 103.477 -13.254 29.206 1.00 0.00 C HETATM 4 C18 9P2 A 401 104.570 -12.648 30.018 1.00 0.00 C HETATM 5 C20 9P2 A 401 102.003 -14.652 28.081 1.00 0.00 C HETATM 6 C01 9P2 A 401 102.449 -14.099 32.942 1.00 0.00 C HETATM 7 N02 9P2 A 401 103.606 -14.892 32.779 1.00 0.00 N HETATM 8 C03 9P2 A 401 104.697 -14.142 33.026 1.00 0.00 C HETATM 9 C04 9P2 A 401 104.238 -12.834 33.376 1.00 0.00 C HETATM 10 N05 9P2 A 401 102.844 -12.857 33.290 1.00 0.00 N HETATM 11 C06 9P2 A 401 102.017 -11.757 33.584 1.00 0.00 C HETATM 12 C07 9P2 A 401 101.884 -11.731 35.112 1.00 0.00 C HETATM 13 C08 9P2 A 401 100.798 -10.764 35.661 1.00 0.00 C HETATM 14 C09 9P2 A 401 100.709 -10.876 37.220 1.00 0.00 C HETATM 15 C10 9P2 A 401 105.126 -11.573 33.743 1.00 0.00 C HETATM 16 N11 9P2 A 401 104.836 -10.501 32.810 1.00 0.00 N1+ HETATM 17 C12 9P2 A 401 105.454 -10.742 31.467 1.00 0.00 C HETATM 18 C13 9P2 A 401 104.374 -11.397 30.608 1.00 0.00 C HETATM 19 C14 9P2 A 401 103.189 -10.750 30.453 1.00 0.00 C HETATM 20 O19 9P2 A 401 103.400 -14.503 28.487 1.00 0.00 O HETATM 21 O21 9P2 A 401 101.413 -13.376 28.233 1.00 0.00 O HETATM 22 C22 9P2 A 401 105.152 -9.203 33.363 1.00 0.00 C HETATM 23 C23 9P2 A 401 103.802 -8.524 33.793 1.00 0.00 C HETATM 24 C24 9P2 A 401 103.611 -8.084 35.074 1.00 0.00 C HETATM 25 C25 9P2 A 401 102.304 -7.448 35.451 1.00 0.00 C HETATM 26 O26 9P2 A 401 101.849 -6.930 36.623 1.00 0.00 O HETATM 27 C27 9P2 A 401 100.668 -6.225 36.311 1.00 0.00 C HETATM 28 O28 9P2 A 401 100.223 -6.708 35.106 1.00 0.00 O HETATM 29 C29 9P2 A 401 101.298 -7.310 34.513 1.00 0.00 C HETATM 30 C30 9P2 A 401 101.498 -7.776 33.171 1.00 0.00 C HETATM 31 C31 9P2 A 401 102.746 -8.382 32.815 1.00 0.00 C HETATM 32 C32 9P2 A 401 105.985 -14.593 32.977 1.00 0.00 C HETATM 33 C33 9P2 A 401 106.464 -15.248 31.845 1.00 0.00 C HETATM 34 C34 9P2 A 401 107.801 -15.726 31.822 1.00 0.00 C HETATM 35 C35 9P2 A 401 108.637 -15.554 32.932 1.00 0.00 C HETATM 36 C36 9P2 A 401 108.147 -14.896 34.092 1.00 0.00 C HETATM 37 C37 9P2 A 401 106.834 -14.429 34.115 1.00 0.00 C HETATM 38 C38 9P2 A 401 101.076 -14.591 32.744 1.00 0.00 C HETATM 39 C39 9P2 A 401 100.160 -13.894 31.936 1.00 0.00 C HETATM 40 C40 9P2 A 401 98.869 -14.366 31.751 1.00 0.00 C HETATM 41 C41 9P2 A 401 98.479 -15.533 32.347 1.00 0.00 C HETATM 42 C42 9P2 A 401 99.398 -16.242 33.149 1.00 0.00 C HETATM 43 C43 9P2 A 401 100.691 -15.758 33.331 1.00 0.00 C ATOM 714 N ILE A 124 93.190 -11.808 30.277 1.00 18.46 N ATOM 715 CA ILE A 124 94.083 -12.834 30.800 1.00 13.73 C ATOM 716 C ILE A 124 95.175 -12.236 31.692 1.00 22.73 C ATOM 717 O ILE A 124 95.622 -12.885 32.644 1.00 22.00 O ATOM 718 CB ILE A 124 94.706 -13.687 29.666 1.00 17.65 C ATOM 719 CG1 ILE A 124 95.164 -15.043 30.213 1.00 29.17 C ATOM 720 CG2 ILE A 124 95.838 -12.954 28.959 1.00 17.93 C ATOM 721 CD1 ILE A 124 94.084 -15.799 30.975 1.00 13.15 C ATOM 722 N LEU A 125 95.569 -10.993 31.422 1.00 17.14 N ATOM 723 CA LEU A 125 96.562 -10.337 32.268 1.00 17.23 C ATOM 724 C LEU A 125 95.980 -10.018 33.638 1.00 22.81 C ATOM 725 O LEU A 125 96.602 -10.297 34.675 1.00 27.42 O ATOM 726 CB LEU A 125 97.086 -9.067 31.601 1.00 17.02 C ATOM 727 CG LEU A 125 98.092 -9.338 30.484 1.00 22.29 C ATOM 728 CD1 LEU A 125 98.608 -8.047 29.863 1.00 21.50 C ATOM 729 CD2 LEU A 125 99.233 -10.167 31.033 1.00 15.20 C ATOM 746 N ALA A 128 95.618 -13.027 35.572 1.00 22.25 N ATOM 747 CA ALA A 128 96.916 -13.456 36.072 1.00 20.48 C ATOM 748 C ALA A 128 97.245 -12.745 37.381 1.00 19.24 C ATOM 749 O ALA A 128 97.645 -13.388 38.360 1.00 21.50 O ATOM 750 CB ALA A 128 98.003 -13.199 35.035 1.00 20.57 C ATOM 751 N THR A 129 97.068 -11.424 37.414 1.00 14.00 N ATOM 752 CA THR A 129 97.359 -10.696 38.650 1.00 22.50 C ATOM 753 C THR A 129 96.411 -11.108 39.776 1.00 30.37 C ATOM 754 O THR A 129 96.811 -11.211 40.941 1.00 20.87 O ATOM 755 CB THR A 129 97.254 -9.175 38.463 1.00 23.38 C ATOM 756 OG1 THR A 129 95.877 -8.783 38.494 1.00 52.45 O ATOM 757 CG2 THR A 129 97.871 -8.751 37.142 1.00 20.50 C ATOM 772 N ALA A 132 97.451 -14.364 41.124 1.00 22.87 N ATOM 773 CA ALA A 132 98.611 -14.151 41.980 1.00 19.79 C ATOM 774 C ALA A 132 98.167 -13.638 43.344 1.00 28.77 C ATOM 775 O ALA A 132 98.771 -13.958 44.370 1.00 22.04 O ATOM 776 CB ALA A 132 99.583 -13.180 41.332 1.00 17.60 C ATOM 972 N LEU A 156 99.064 -2.157 39.074 1.00 23.87 N ATOM 973 CA LEU A 156 99.094 -3.419 38.345 1.00 28.90 C ATOM 974 C LEU A 156 98.029 -3.453 37.252 1.00 30.81 C ATOM 975 O LEU A 156 98.255 -4.008 36.171 1.00 24.25 O ATOM 976 CB LEU A 156 98.910 -4.595 39.312 1.00 19.33 C ATOM 977 CG LEU A 156 100.010 -4.758 40.368 1.00 30.44 C ATOM 978 CD1 LEU A 156 99.602 -5.738 41.464 1.00 27.53 C ATOM 979 CD2 LEU A 156 101.313 -5.196 39.720 1.00 25.75 C ATOM 991 N VAL A 159 99.421 -1.447 34.400 1.00 34.35 N ATOM 992 CA VAL A 159 100.387 -2.244 33.652 1.00 27.62 C ATOM 993 C VAL A 159 99.696 -3.276 32.761 1.00 31.66 C ATOM 994 O VAL A 159 100.104 -3.493 31.615 1.00 24.89 O ATOM 995 CB VAL A 159 101.364 -2.967 34.597 1.00 24.08 C ATOM 996 CG1 VAL A 159 102.323 -3.848 33.808 1.00 22.19 C ATOM 997 CG2 VAL A 159 102.128 -1.956 35.437 1.00 38.02 C ATOM 998 N ALA A 160 98.625 -3.879 33.270 1.00 32.52 N ATOM 999 CA ALA A 160 97.908 -4.886 32.496 1.00 30.20 C ATOM 1000 C ALA A 160 97.245 -4.259 31.276 1.00 26.83 C ATOM 1001 O ALA A 160 97.307 -4.810 30.174 1.00 25.97 O ATOM 1002 CB ALA A 160 96.873 -5.588 33.359 1.00 17.82 C ATOM 1021 N LEU A 163 100.074 -3.102 28.719 1.00 28.17 N ATOM 1022 CA LEU A 163 100.637 -4.258 28.037 1.00 36.91 C ATOM 1023 C LEU A 163 99.631 -4.885 27.074 1.00 29.75 C ATOM 1024 O LEU A 163 100.007 -5.373 26.007 1.00 25.84 O ATOM 1025 CB LEU A 163 101.118 -5.299 29.047 1.00 21.95 C ATOM 1026 CG LEU A 163 101.879 -6.469 28.424 1.00 34.22 C ATOM 1027 CD1 LEU A 163 103.091 -5.977 27.639 1.00 14.38 C ATOM 1028 CD2 LEU A 163 102.293 -7.458 29.492 1.00 28.77 C ATOM 1378 N LEU A 209 101.018 -17.142 23.772 1.00 39.93 N ATOM 1379 CA LEU A 209 100.819 -15.948 24.588 1.00 25.82 C ATOM 1380 C LEU A 209 99.374 -15.773 25.040 1.00 33.86 C ATOM 1381 O LEU A 209 99.117 -15.212 26.107 1.00 44.89 O ATOM 1382 CB LEU A 209 101.275 -14.704 23.826 1.00 26.30 C ATOM 1383 CG LEU A 209 102.775 -14.606 23.533 1.00 33.43 C ATOM 1384 CD1 LEU A 209 103.121 -13.248 22.941 1.00 29.82 C ATOM 1385 CD2 LEU A 209 103.596 -14.878 24.786 1.00 26.38 C ATOM 1409 N TRP A 213 100.330 -20.904 27.489 1.00 24.25 N ATOM 1410 CA TRP A 213 101.098 -20.450 28.648 1.00 27.20 C ATOM 1411 C TRP A 213 100.188 -20.059 29.828 1.00 27.72 C ATOM 1412 O TRP A 213 100.411 -20.531 30.956 1.00 31.72 O ATOM 1413 CB TRP A 213 102.022 -19.286 28.262 1.00 27.58 C ATOM 1414 CG TRP A 213 102.789 -18.698 29.410 1.00 29.15 C ATOM 1415 CD1 TRP A 213 102.606 -17.470 29.972 1.00 21.24 C ATOM 1416 CD2 TRP A 213 103.857 -19.318 30.139 1.00 32.54 C ATOM 1417 NE1 TRP A 213 103.495 -17.282 31.002 1.00 22.48 N ATOM 1418 CE2 TRP A 213 104.274 -18.402 31.126 1.00 24.71 C ATOM 1419 CE3 TRP A 213 104.500 -20.556 30.052 1.00 28.69 C ATOM 1420 CZ2 TRP A 213 105.305 -18.686 32.021 1.00 17.36 C ATOM 1421 CZ3 TRP A 213 105.522 -20.836 30.939 1.00 26.14 C ATOM 1422 CH2 TRP A 213 105.914 -19.906 31.912 1.00 23.84 C ATOM 1423 N PRO A 214 99.152 -19.224 29.583 1.00 28.37 N ATOM 1424 CA PRO A 214 98.244 -18.955 30.701 1.00 24.01 C ATOM 1425 C PRO A 214 97.590 -20.217 31.249 1.00 25.46 C ATOM 1426 O PRO A 214 97.371 -20.321 32.458 1.00 29.56 O ATOM 1427 CB PRO A 214 97.193 -18.032 30.081 1.00 21.47 C ATOM 1428 CG PRO A 214 97.918 -17.330 28.994 1.00 22.53 C ATOM 1429 CD PRO A 214 98.822 -18.379 28.413 1.00 23.43 C ATOM 1446 N THR A 217 100.302 -22.136 33.460 1.00 22.75 N ATOM 1447 CA THR A 217 100.641 -21.413 34.679 1.00 20.26 C ATOM 1448 C THR A 217 99.467 -21.347 35.657 1.00 33.32 C ATOM 1449 O THR A 217 99.617 -21.664 36.846 1.00 30.81 O ATOM 1450 CB THR A 217 101.109 -19.986 34.363 1.00 22.39 C ATOM 1451 OG1 THR A 217 100.079 -19.298 33.643 1.00 36.11 O ATOM 1452 CG2 THR A 217 102.371 -20.022 33.520 1.00 33.67 C ATOM 1453 N LEU A 218 98.297 -20.956 35.159 1.00 19.63 N ATOM 1454 CA LEU A 218 97.121 -20.862 36.018 1.00 20.67 C ATOM 1455 C LEU A 218 96.708 -22.234 36.541 1.00 26.23 C ATOM 1456 O LEU A 218 96.229 -22.356 37.679 1.00 33.74 O ATOM 1457 CB LEU A 218 95.957 -20.200 35.279 1.00 12.87 C ATOM 1458 CG LEU A 218 96.174 -18.723 34.939 1.00 20.51 C ATOM 1459 CD1 LEU A 218 94.973 -18.128 34.219 1.00 21.96 C ATOM 1460 CD2 LEU A 218 96.490 -17.933 36.194 1.00 20.54 C ATOM 3311 N ALA B 158 112.932 -13.164 37.384 1.00 33.30 N ATOM 3312 CA ALA B 158 112.240 -14.012 36.426 1.00 28.64 C ATOM 3313 C ALA B 158 111.179 -13.215 35.673 1.00 33.11 C ATOM 3314 O ALA B 158 111.030 -13.352 34.451 1.00 27.84 O ATOM 3315 CB ALA B 158 111.615 -15.207 37.130 1.00 23.01 C ATOM 3316 N VAL B 159 110.459 -12.364 36.402 1.00 24.01 N ATOM 3317 CA VAL B 159 109.449 -11.514 35.781 1.00 28.00 C ATOM 3318 C VAL B 159 110.104 -10.537 34.805 1.00 25.86 C ATOM 3319 O VAL B 159 109.574 -10.273 33.716 1.00 23.40 O ATOM 3320 CB VAL B 159 108.636 -10.732 36.844 1.00 26.65 C ATOM 3321 CG1 VAL B 159 107.726 -9.701 36.187 1.00 21.93 C ATOM 3322 CG2 VAL B 159 107.823 -11.692 37.699 1.00 33.72 C ATOM 3342 N GLY B 162 111.008 -12.356 31.676 1.00 22.04 N ATOM 3343 CA GLY B 162 109.807 -12.701 30.937 1.00 30.39 C ATOM 3344 C GLY B 162 109.287 -11.524 30.139 1.00 31.79 C ATOM 3345 O GLY B 162 108.992 -11.646 28.943 1.00 32.41 O ATOM 3346 N LEU B 163 109.188 -10.373 30.796 1.00 18.08 N ATOM 3347 CA LEU B 163 108.735 -9.174 30.110 1.00 27.26 C ATOM 3348 C LEU B 163 109.722 -8.742 29.028 1.00 18.07 C ATOM 3349 O LEU B 163 109.318 -8.230 27.982 1.00 22.58 O ATOM 3350 CB LEU B 163 108.511 -8.043 31.112 1.00 23.36 C ATOM 3351 CG LEU B 163 107.930 -6.743 30.563 1.00 20.78 C ATOM 3352 CD1 LEU B 163 106.785 -7.018 29.601 1.00 16.40 C ATOM 3353 CD2 LEU B 163 107.458 -5.889 31.716 1.00 18.78 C ATOM 3367 N LEU B 166 109.309 -10.948 26.099 1.00 32.08 N ATOM 3368 CA LEU B 166 108.017 -10.614 25.522 1.00 21.14 C ATOM 3369 C LEU B 166 108.134 -9.391 24.622 1.00 31.57 C ATOM 3370 O LEU B 166 107.586 -9.366 23.518 1.00 35.94 O ATOM 3371 CB LEU B 166 106.983 -10.364 26.622 1.00 18.88 C ATOM 3372 CG LEU B 166 105.545 -10.109 26.165 1.00 26.49 C ATOM 3373 CD1 LEU B 166 104.900 -11.394 25.663 1.00 33.57 C ATOM 3374 CD2 LEU B 166 104.718 -9.486 27.282 1.00 26.62 C CONECT 1 2 19 44 CONECT 2 21 3 1 CONECT 3 20 2 4 CONECT 4 3 18 45 CONECT 5 21 20 46 47 CONECT 5 CONECT 6 38 7 10 CONECT 7 6 8 CONECT 8 7 32 9 CONECT 9 8 10 15 CONECT 10 6 9 11 CONECT 11 10 12 48 49 CONECT 11 CONECT 12 11 13 50 51 CONECT 12 CONECT 13 12 14 52 53 CONECT 13 CONECT 14 13 54 55 56 CONECT 14 CONECT 15 16 9 57 58 CONECT 15 CONECT 16 17 22 15 59 CONECT 16 CONECT 17 18 16 60 61 CONECT 17 CONECT 18 4 19 17 CONECT 19 1 18 62 CONECT 20 5 3 CONECT 21 5 2 CONECT 22 16 23 63 64 CONECT 22 CONECT 23 31 22 24 CONECT 24 23 25 65 CONECT 25 29 24 26 CONECT 26 25 27 CONECT 27 28 26 66 67 CONECT 27 CONECT 28 29 27 CONECT 29 30 28 25 CONECT 30 31 29 68 CONECT 31 30 23 69 CONECT 32 33 8 37 CONECT 33 34 32 70 CONECT 34 33 35 71 CONECT 35 34 36 72 CONECT 36 35 37 73 CONECT 37 32 36 74 CONECT 38 39 6 43 CONECT 39 40 38 75 CONECT 40 39 41 76 CONECT 41 40 42 77 CONECT 42 41 43 78 CONECT 43 38 42 79 CONECT 44 1 CONECT 45 4 CONECT 46 5 CONECT 47 5 CONECT 48 11 CONECT 49 11 CONECT 50 12 CONECT 51 12 CONECT 52 13 CONECT 53 13 CONECT 54 14 CONECT 55 14 CONECT 56 14 CONECT 57 15 CONECT 58 15 CONECT 59 16 CONECT 60 17 CONECT 61 17 CONECT 62 19 CONECT 63 22 CONECT 64 22 CONECT 65 24 CONECT 66 27 CONECT 67 27 CONECT 68 30 CONECT 69 31 CONECT 70 33 CONECT 71 34 CONECT 72 35 CONECT 73 36 CONECT 74 37 CONECT 75 39 CONECT 76 40 CONECT 77 41 CONECT 78 42 CONECT 79 43 MASTER 0 0 0 0 0 0 0 0 79 0 79 0 END