Upload smoke.pdb with huggingface_hub
Browse files
smoke.pdb
ADDED
|
@@ -0,0 +1,272 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
ATOM 1 N MET A 1 9.475 14.164 -10.739 1.00 64.72 N
|
| 2 |
+
ATOM 2 CA MET A 1 9.100 13.471 -11.959 1.00 64.72 C
|
| 3 |
+
ATOM 3 C MET A 1 7.902 12.575 -11.711 1.00 64.72 C
|
| 4 |
+
ATOM 4 O MET A 1 7.711 12.084 -10.612 1.00 64.72 O
|
| 5 |
+
ATOM 5 CB MET A 1 10.282 12.685 -12.494 1.00 64.72 C
|
| 6 |
+
ATOM 6 CG MET A 1 11.429 13.598 -12.914 1.00 64.72 C
|
| 7 |
+
ATOM 7 SD MET A 1 12.685 12.678 -13.793 1.00 64.72 S
|
| 8 |
+
ATOM 8 CE MET A 1 14.091 13.695 -13.487 1.00 64.72 C
|
| 9 |
+
ATOM 9 N LYS A 2 7.102 12.363 -12.742 1.00 73.11 N
|
| 10 |
+
ATOM 10 CA LYS A 2 5.885 11.587 -12.638 1.00 73.11 C
|
| 11 |
+
ATOM 11 C LYS A 2 6.151 10.139 -12.278 1.00 73.11 C
|
| 12 |
+
ATOM 12 O LYS A 2 5.377 9.512 -11.568 1.00 73.11 O
|
| 13 |
+
ATOM 13 CB LYS A 2 5.109 11.657 -13.943 1.00 73.11 C
|
| 14 |
+
ATOM 14 CG LYS A 2 4.724 13.068 -14.337 1.00 73.11 C
|
| 15 |
+
ATOM 15 CD LYS A 2 3.710 13.673 -13.389 1.00 73.11 C
|
| 16 |
+
ATOM 16 CE LYS A 2 3.101 14.947 -13.927 1.00 73.11 C
|
| 17 |
+
ATOM 17 NZ LYS A 2 4.032 16.088 -13.798 1.00 73.11 N
|
| 18 |
+
ATOM 18 N THR A 3 7.253 9.620 -12.767 1.00 75.76 N
|
| 19 |
+
ATOM 19 CA THR A 3 7.613 8.236 -12.526 1.00 75.76 C
|
| 20 |
+
ATOM 20 C THR A 3 7.724 7.950 -11.031 1.00 75.76 C
|
| 21 |
+
ATOM 21 O THR A 3 7.227 6.942 -10.543 1.00 75.76 O
|
| 22 |
+
ATOM 22 CB THR A 3 8.934 7.884 -13.235 1.00 75.76 C
|
| 23 |
+
ATOM 23 OG1 THR A 3 8.832 8.234 -14.611 1.00 75.76 O
|
| 24 |
+
ATOM 24 CG2 THR A 3 9.241 6.402 -13.112 1.00 75.76 C
|
| 25 |
+
ATOM 25 N ALA A 4 8.353 8.831 -10.292 1.00 73.17 N
|
| 26 |
+
ATOM 26 CA ALA A 4 8.509 8.685 -8.852 1.00 73.17 C
|
| 27 |
+
ATOM 27 C ALA A 4 7.157 8.732 -8.157 1.00 73.17 C
|
| 28 |
+
ATOM 28 O ALA A 4 6.885 7.962 -7.232 1.00 73.17 O
|
| 29 |
+
ATOM 29 CB ALA A 4 9.424 9.771 -8.308 1.00 73.17 C
|
| 30 |
+
ATOM 30 N TYR A 5 6.284 9.594 -8.615 1.00 75.08 N
|
| 31 |
+
ATOM 31 CA TYR A 5 4.951 9.715 -8.037 1.00 75.08 C
|
| 32 |
+
ATOM 32 C TYR A 5 4.131 8.452 -8.259 1.00 75.08 C
|
| 33 |
+
ATOM 33 O TYR A 5 3.483 7.952 -7.336 1.00 75.08 O
|
| 34 |
+
ATOM 34 CB TYR A 5 4.225 10.928 -8.630 1.00 75.08 C
|
| 35 |
+
ATOM 35 CG TYR A 5 2.936 11.254 -7.922 1.00 75.08 C
|
| 36 |
+
ATOM 36 CD1 TYR A 5 2.972 11.840 -6.653 1.00 75.08 C
|
| 37 |
+
ATOM 37 CD2 TYR A 5 1.704 10.992 -8.493 1.00 75.08 C
|
| 38 |
+
ATOM 38 CE1 TYR A 5 1.807 12.137 -5.984 1.00 75.08 C
|
| 39 |
+
ATOM 39 CE2 TYR A 5 0.528 11.289 -7.819 1.00 75.08 C
|
| 40 |
+
ATOM 40 CZ TYR A 5 0.581 11.875 -6.570 1.00 75.08 C
|
| 41 |
+
ATOM 41 OH TYR A 5 -0.587 12.177 -5.911 1.00 75.08 O
|
| 42 |
+
ATOM 42 N ILE A 6 4.177 7.916 -9.452 1.00 79.95 N
|
| 43 |
+
ATOM 43 CA ILE A 6 3.472 6.678 -9.786 1.00 79.95 C
|
| 44 |
+
ATOM 44 C ILE A 6 3.955 5.537 -8.918 1.00 79.95 C
|
| 45 |
+
ATOM 45 O ILE A 6 3.157 4.786 -8.350 1.00 79.95 O
|
| 46 |
+
ATOM 46 CB ILE A 6 3.643 6.325 -11.270 1.00 79.95 C
|
| 47 |
+
ATOM 47 CG1 ILE A 6 2.916 7.355 -12.141 1.00 79.95 C
|
| 48 |
+
ATOM 48 CG2 ILE A 6 3.102 4.929 -11.572 1.00 79.95 C
|
| 49 |
+
ATOM 49 CD1 ILE A 6 3.190 7.183 -13.626 1.00 79.95 C
|
| 50 |
+
ATOM 50 N ALA A 7 5.251 5.398 -8.780 1.00 77.76 N
|
| 51 |
+
ATOM 51 CA ALA A 7 5.829 4.333 -7.974 1.00 77.76 C
|
| 52 |
+
ATOM 52 C ALA A 7 5.434 4.485 -6.516 1.00 77.76 C
|
| 53 |
+
ATOM 53 O ALA A 7 5.098 3.500 -5.847 1.00 77.76 O
|
| 54 |
+
ATOM 54 CB ALA A 7 7.348 4.337 -8.121 1.00 77.76 C
|
| 55 |
+
ATOM 55 N LYS A 8 5.406 5.685 -6.028 1.00 75.82 N
|
| 56 |
+
ATOM 56 CA LYS A 8 5.018 5.954 -4.654 1.00 75.82 C
|
| 57 |
+
ATOM 57 C LYS A 8 3.534 5.715 -4.449 1.00 75.82 C
|
| 58 |
+
ATOM 58 O LYS A 8 3.114 5.107 -3.462 1.00 75.82 O
|
| 59 |
+
ATOM 59 CB LYS A 8 5.397 7.390 -4.283 1.00 75.82 C
|
| 60 |
+
ATOM 60 CG LYS A 8 5.142 7.742 -2.826 1.00 75.82 C
|
| 61 |
+
ATOM 61 CD LYS A 8 5.817 9.039 -2.451 1.00 75.82 C
|
| 62 |
+
ATOM 62 CE LYS A 8 5.057 10.229 -2.989 1.00 75.82 C
|
| 63 |
+
ATOM 63 NZ LYS A 8 5.644 11.513 -2.469 1.00 75.82 N
|
| 64 |
+
ATOM 64 N GLN A 9 2.730 6.161 -5.378 1.00 79.62 N
|
| 65 |
+
ATOM 65 CA GLN A 9 1.292 5.960 -5.284 1.00 79.62 C
|
| 66 |
+
ATOM 66 C GLN A 9 0.928 4.496 -5.355 1.00 79.62 C
|
| 67 |
+
ATOM 67 O GLN A 9 -0.020 4.056 -4.707 1.00 79.62 O
|
| 68 |
+
ATOM 68 CB GLN A 9 0.589 6.756 -6.373 1.00 79.62 C
|
| 69 |
+
ATOM 69 CG GLN A 9 0.606 8.247 -6.128 1.00 79.62 C
|
| 70 |
+
ATOM 70 CD GLN A 9 0.051 8.622 -4.771 1.00 79.62 C
|
| 71 |
+
ATOM 71 OE1 GLN A 9 -1.121 8.411 -4.492 1.00 79.62 O
|
| 72 |
+
ATOM 72 NE2 GLN A 9 0.875 9.172 -3.916 1.00 79.62 N
|
| 73 |
+
ATOM 73 N ARG A 10 1.690 3.727 -6.101 1.00 79.06 N
|
| 74 |
+
ATOM 74 CA ARG A 10 1.470 2.289 -6.182 1.00 79.06 C
|
| 75 |
+
ATOM 75 C ARG A 10 1.629 1.644 -4.813 1.00 79.06 C
|
| 76 |
+
ATOM 76 O ARG A 10 0.797 0.843 -4.395 1.00 79.06 O
|
| 77 |
+
ATOM 77 CB ARG A 10 2.422 1.654 -7.187 1.00 79.06 C
|
| 78 |
+
ATOM 78 CG ARG A 10 2.032 1.893 -8.642 1.00 79.06 C
|
| 79 |
+
ATOM 79 CD ARG A 10 1.015 0.890 -9.225 1.00 79.06 C
|
| 80 |
+
ATOM 80 NE ARG A 10 -0.372 1.401 -9.147 1.00 79.06 N
|
| 81 |
+
ATOM 81 CZ ARG A 10 -1.433 0.623 -9.070 1.00 79.06 C
|
| 82 |
+
ATOM 82 NH1 ARG A 10 -1.359 -0.681 -9.157 1.00 79.06 N
|
| 83 |
+
ATOM 83 NH2 ARG A 10 -2.656 1.160 -8.926 1.00 79.06 N
|
| 84 |
+
ATOM 84 N GLN A 11 2.646 1.988 -4.104 1.00 75.81 N
|
| 85 |
+
ATOM 85 CA GLN A 11 2.889 1.449 -2.773 1.00 75.81 C
|
| 86 |
+
ATOM 86 C GLN A 11 1.784 1.844 -1.815 1.00 75.81 C
|
| 87 |
+
ATOM 87 O GLN A 11 1.200 0.988 -1.132 1.00 75.81 O
|
| 88 |
+
ATOM 88 CB GLN A 11 4.230 1.928 -2.224 1.00 75.81 C
|
| 89 |
+
ATOM 89 CG GLN A 11 5.428 1.385 -2.964 1.00 75.81 C
|
| 90 |
+
ATOM 90 CD GLN A 11 6.735 1.977 -2.462 1.00 75.81 C
|
| 91 |
+
ATOM 91 OE1 GLN A 11 6.954 3.148 -2.572 1.00 75.81 O
|
| 92 |
+
ATOM 92 NE2 GLN A 11 7.601 1.138 -1.920 1.00 75.81 N
|
| 93 |
+
ATOM 93 N ILE A 12 1.504 3.105 -1.767 1.00 80.21 N
|
| 94 |
+
ATOM 94 CA ILE A 12 0.492 3.636 -0.863 1.00 80.21 C
|
| 95 |
+
ATOM 95 C ILE A 12 -0.871 3.051 -1.193 1.00 80.21 C
|
| 96 |
+
ATOM 96 O ILE A 12 -1.594 2.589 -0.308 1.00 80.21 O
|
| 97 |
+
ATOM 97 CB ILE A 12 0.474 5.170 -0.917 1.00 80.21 C
|
| 98 |
+
ATOM 98 CG1 ILE A 12 1.827 5.724 -0.430 1.00 80.21 C
|
| 99 |
+
ATOM 99 CG2 ILE A 12 -0.663 5.718 -0.075 1.00 80.21 C
|
| 100 |
+
ATOM 100 CD1 ILE A 12 1.947 7.218 -0.629 1.00 80.21 C
|
| 101 |
+
ATOM 101 N SER A 13 -1.235 3.044 -2.453 1.00 80.46 N
|
| 102 |
+
ATOM 102 CA SER A 13 -2.513 2.513 -2.900 1.00 80.46 C
|
| 103 |
+
ATOM 103 C SER A 13 -2.649 1.042 -2.539 1.00 80.46 C
|
| 104 |
+
ATOM 104 O SER A 13 -3.686 0.605 -2.033 1.00 80.46 O
|
| 105 |
+
ATOM 105 CB SER A 13 -2.673 2.719 -4.403 1.00 80.46 C
|
| 106 |
+
ATOM 106 OG SER A 13 -3.961 2.349 -4.812 1.00 80.46 O
|
| 107 |
+
ATOM 107 N PHE A 14 -1.623 0.272 -2.788 1.00 78.82 N
|
| 108 |
+
ATOM 108 CA PHE A 14 -1.635 -1.149 -2.477 1.00 78.82 C
|
| 109 |
+
ATOM 109 C PHE A 14 -1.763 -1.385 -0.973 1.00 78.82 C
|
| 110 |
+
ATOM 110 O PHE A 14 -2.583 -2.202 -0.526 1.00 78.82 O
|
| 111 |
+
ATOM 111 CB PHE A 14 -0.372 -1.824 -3.029 1.00 78.82 C
|
| 112 |
+
ATOM 112 CG PHE A 14 -0.418 -3.327 -2.962 1.00 78.82 C
|
| 113 |
+
ATOM 113 CD1 PHE A 14 -1.225 -4.035 -3.833 1.00 78.82 C
|
| 114 |
+
ATOM 114 CD2 PHE A 14 0.338 -4.016 -2.020 1.00 78.82 C
|
| 115 |
+
ATOM 115 CE1 PHE A 14 -1.277 -5.417 -3.767 1.00 78.82 C
|
| 116 |
+
ATOM 116 CE2 PHE A 14 0.282 -5.403 -1.955 1.00 78.82 C
|
| 117 |
+
ATOM 117 CZ PHE A 14 -0.520 -6.104 -2.836 1.00 78.82 C
|
| 118 |
+
ATOM 118 N VAL A 15 -0.986 -0.685 -0.188 1.00 77.06 N
|
| 119 |
+
ATOM 119 CA VAL A 15 -1.029 -0.797 1.265 1.00 77.06 C
|
| 120 |
+
ATOM 120 C VAL A 15 -2.404 -0.378 1.781 1.00 77.06 C
|
| 121 |
+
ATOM 121 O VAL A 15 -2.987 -1.049 2.639 1.00 77.06 O
|
| 122 |
+
ATOM 122 CB VAL A 15 0.082 0.056 1.909 1.00 77.06 C
|
| 123 |
+
ATOM 123 CG1 VAL A 15 -0.050 0.049 3.411 1.00 77.06 C
|
| 124 |
+
ATOM 124 CG2 VAL A 15 1.436 -0.449 1.478 1.00 77.06 C
|
| 125 |
+
ATOM 125 N LYS A 16 -2.924 0.688 1.267 1.00 79.65 N
|
| 126 |
+
ATOM 126 CA LYS A 16 -4.234 1.169 1.667 1.00 79.65 C
|
| 127 |
+
ATOM 127 C LYS A 16 -5.309 0.141 1.371 1.00 79.65 C
|
| 128 |
+
ATOM 128 O LYS A 16 -6.172 -0.134 2.210 1.00 79.65 O
|
| 129 |
+
ATOM 129 CB LYS A 16 -4.550 2.484 0.973 1.00 79.65 C
|
| 130 |
+
ATOM 130 CG LYS A 16 -5.906 3.064 1.401 1.00 79.65 C
|
| 131 |
+
ATOM 131 CD LYS A 16 -6.288 4.245 0.553 1.00 79.65 C
|
| 132 |
+
ATOM 132 CE LYS A 16 -7.638 4.786 0.967 1.00 79.65 C
|
| 133 |
+
ATOM 133 NZ LYS A 16 -8.019 5.960 0.170 1.00 79.65 N
|
| 134 |
+
ATOM 134 N GLN A 17 -5.257 -0.469 0.223 1.00 78.95 N
|
| 135 |
+
ATOM 135 CA GLN A 17 -6.223 -1.474 -0.183 1.00 78.95 C
|
| 136 |
+
ATOM 136 C GLN A 17 -6.180 -2.677 0.748 1.00 78.95 C
|
| 137 |
+
ATOM 137 O GLN A 17 -7.208 -3.131 1.252 1.00 78.95 O
|
| 138 |
+
ATOM 138 CB GLN A 17 -5.960 -1.883 -1.630 1.00 78.95 C
|
| 139 |
+
ATOM 139 CG GLN A 17 -7.117 -2.664 -2.238 1.00 78.95 C
|
| 140 |
+
ATOM 140 CD GLN A 17 -6.876 -2.975 -3.706 1.00 78.95 C
|
| 141 |
+
ATOM 141 OE1 GLN A 17 -5.757 -3.019 -4.191 1.00 78.95 O
|
| 142 |
+
ATOM 142 NE2 GLN A 17 -7.939 -3.212 -4.431 1.00 78.95 N
|
| 143 |
+
ATOM 143 N ILE A 18 -5.020 -3.201 1.017 1.00 75.61 N
|
| 144 |
+
ATOM 144 CA ILE A 18 -4.843 -4.345 1.902 1.00 75.61 C
|
| 145 |
+
ATOM 145 C ILE A 18 -5.233 -3.957 3.326 1.00 75.61 C
|
| 146 |
+
ATOM 146 O ILE A 18 -5.939 -4.700 4.015 1.00 75.61 O
|
| 147 |
+
ATOM 147 CB ILE A 18 -3.398 -4.855 1.867 1.00 75.61 C
|
| 148 |
+
ATOM 148 CG1 ILE A 18 -3.025 -5.308 0.446 1.00 75.61 C
|
| 149 |
+
ATOM 149 CG2 ILE A 18 -3.208 -5.989 2.862 1.00 75.61 C
|
| 150 |
+
ATOM 150 CD1 ILE A 18 -1.565 -5.710 0.303 1.00 75.61 C
|
| 151 |
+
ATOM 151 N PHE A 19 -4.803 -2.795 3.775 1.00 74.03 N
|
| 152 |
+
ATOM 152 CA PHE A 19 -5.109 -2.306 5.113 1.00 74.03 C
|
| 153 |
+
ATOM 153 C PHE A 19 -6.611 -2.153 5.315 1.00 74.03 C
|
| 154 |
+
ATOM 154 O PHE A 19 -7.160 -2.581 6.334 1.00 74.03 O
|
| 155 |
+
ATOM 155 CB PHE A 19 -4.386 -0.976 5.345 1.00 74.03 C
|
| 156 |
+
ATOM 156 CG PHE A 19 -4.524 -0.460 6.764 1.00 74.03 C
|
| 157 |
+
ATOM 157 CD1 PHE A 19 -5.624 0.289 7.133 1.00 74.03 C
|
| 158 |
+
ATOM 158 CD2 PHE A 19 -3.555 -0.703 7.723 1.00 74.03 C
|
| 159 |
+
ATOM 159 CE1 PHE A 19 -5.754 0.753 8.437 1.00 74.03 C
|
| 160 |
+
ATOM 160 CE2 PHE A 19 -3.682 -0.242 9.007 1.00 74.03 C
|
| 161 |
+
ATOM 161 CZ PHE A 19 -4.772 0.501 9.383 1.00 74.03 C
|
| 162 |
+
ATOM 162 N ASN A 20 -7.289 -1.569 4.325 1.00 73.98 N
|
| 163 |
+
ATOM 163 CA ASN A 20 -8.733 -1.400 4.388 1.00 73.98 C
|
| 164 |
+
ATOM 164 C ASN A 20 -9.446 -2.732 4.452 1.00 73.98 C
|
| 165 |
+
ATOM 165 O ASN A 20 -10.439 -2.882 5.155 1.00 73.98 O
|
| 166 |
+
ATOM 166 CB ASN A 20 -9.220 -0.606 3.173 1.00 73.98 C
|
| 167 |
+
ATOM 167 CG ASN A 20 -9.075 0.883 3.345 1.00 73.98 C
|
| 168 |
+
ATOM 168 OD1 ASN A 20 -8.267 1.337 4.163 1.00 73.98 O
|
| 169 |
+
ATOM 169 ND2 ASN A 20 -9.820 1.655 2.598 1.00 73.98 N
|
| 170 |
+
ATOM 170 N ALA A 21 -8.947 -3.701 3.742 1.00 72.76 N
|
| 171 |
+
ATOM 171 CA ALA A 21 -9.541 -5.024 3.731 1.00 72.76 C
|
| 172 |
+
ATOM 172 C ALA A 21 -9.305 -5.765 5.046 1.00 72.76 C
|
| 173 |
+
ATOM 173 O ALA A 21 -10.083 -6.637 5.416 1.00 72.76 O
|
| 174 |
+
ATOM 174 CB ALA A 21 -9.018 -5.823 2.548 1.00 72.76 C
|
| 175 |
+
ATOM 175 N THR A 22 -8.253 -5.434 5.745 1.00 70.30 N
|
| 176 |
+
ATOM 176 CA THR A 22 -7.929 -6.058 7.014 1.00 70.30 C
|
| 177 |
+
ATOM 177 C THR A 22 -9.035 -5.850 8.029 1.00 70.30 C
|
| 178 |
+
ATOM 178 O THR A 22 -9.427 -6.778 8.741 1.00 70.30 O
|
| 179 |
+
ATOM 179 CB THR A 22 -6.597 -5.526 7.556 1.00 70.30 C
|
| 180 |
+
ATOM 180 OG1 THR A 22 -5.598 -5.676 6.565 1.00 70.30 O
|
| 181 |
+
ATOM 181 CG2 THR A 22 -6.173 -6.288 8.797 1.00 70.30 C
|
| 182 |
+
ATOM 182 N LYS A 23 -9.538 -4.688 8.115 1.00 69.16 N
|
| 183 |
+
ATOM 183 CA LYS A 23 -10.644 -4.399 9.017 1.00 69.16 C
|
| 184 |
+
ATOM 184 C LYS A 23 -11.877 -5.192 8.637 1.00 69.16 C
|
| 185 |
+
ATOM 185 O LYS A 23 -12.776 -5.391 9.441 1.00 69.16 O
|
| 186 |
+
ATOM 186 CB LYS A 23 -10.956 -2.914 8.997 1.00 69.16 C
|
| 187 |
+
ATOM 187 CG LYS A 23 -9.835 -2.085 9.595 1.00 69.16 C
|
| 188 |
+
ATOM 188 CD LYS A 23 -10.213 -0.625 9.672 1.00 69.16 C
|
| 189 |
+
ATOM 189 CE LYS A 23 -9.153 0.172 10.380 1.00 69.16 C
|
| 190 |
+
ATOM 190 NZ LYS A 23 -9.551 1.576 10.577 1.00 69.16 N
|
| 191 |
+
ATOM 191 N PHE A 24 -11.899 -5.647 7.421 1.00 65.95 N
|
| 192 |
+
ATOM 192 CA PHE A 24 -12.996 -6.464 6.919 1.00 65.95 C
|
| 193 |
+
ATOM 193 C PHE A 24 -13.072 -7.796 7.657 1.00 65.95 C
|
| 194 |
+
ATOM 194 O PHE A 24 -14.157 -8.321 7.881 1.00 65.95 O
|
| 195 |
+
ATOM 195 CB PHE A 24 -12.820 -6.690 5.406 1.00 65.95 C
|
| 196 |
+
ATOM 196 CG PHE A 24 -14.069 -7.056 4.681 1.00 65.95 C
|
| 197 |
+
ATOM 197 CD1 PHE A 24 -15.005 -6.094 4.370 1.00 65.95 C
|
| 198 |
+
ATOM 198 CD2 PHE A 24 -14.305 -8.353 4.302 1.00 65.95 C
|
| 199 |
+
ATOM 199 CE1 PHE A 24 -16.157 -6.416 3.705 1.00 65.95 C
|
| 200 |
+
ATOM 200 CE2 PHE A 24 -15.477 -8.691 3.632 1.00 65.95 C
|
| 201 |
+
ATOM 201 CZ PHE A 24 -16.395 -7.720 3.332 1.00 65.95 C
|
| 202 |
+
ATOM 202 N GLU A 25 -11.925 -8.322 7.964 1.00 58.77 N
|
| 203 |
+
ATOM 203 CA GLU A 25 -11.858 -9.559 8.739 1.00 58.77 C
|
| 204 |
+
ATOM 204 C GLU A 25 -11.845 -9.213 10.231 1.00 58.77 C
|
| 205 |
+
ATOM 205 O GLU A 25 -11.999 -10.041 11.060 1.00 58.77 O
|
| 206 |
+
ATOM 206 CB GLU A 25 -10.588 -10.336 8.399 1.00 58.77 C
|
| 207 |
+
ATOM 207 CG GLU A 25 -10.638 -11.060 7.079 1.00 58.77 C
|
| 208 |
+
ATOM 208 CD GLU A 25 -9.364 -11.860 6.820 1.00 58.77 C
|
| 209 |
+
ATOM 209 OE1 GLU A 25 -8.428 -11.296 6.235 1.00 58.77 O
|
| 210 |
+
ATOM 210 OE2 GLU A 25 -9.288 -13.000 7.261 1.00 58.77 O
|
| 211 |
+
TER 211 GLU A 25
|
| 212 |
+
ATOM 212 N GLY B 1 -3.756 -9.043 9.092 1.00 43.46 N
|
| 213 |
+
ATOM 213 CA GLY B 1 -3.709 -7.563 9.163 1.00 43.46 C
|
| 214 |
+
ATOM 214 C GLY B 1 -2.301 -7.045 8.915 1.00 43.46 C
|
| 215 |
+
ATOM 215 O GLY B 1 -1.964 -6.011 9.469 1.00 43.46 O
|
| 216 |
+
ATOM 216 N SER B 2 -1.440 -7.708 8.073 1.00 55.54 N
|
| 217 |
+
ATOM 217 CA SER B 2 -0.082 -7.249 7.811 1.00 55.54 C
|
| 218 |
+
ATOM 218 C SER B 2 -0.049 -6.423 6.537 1.00 55.54 C
|
| 219 |
+
ATOM 219 O SER B 2 -0.763 -6.713 5.580 1.00 55.54 O
|
| 220 |
+
ATOM 220 CB SER B 2 0.845 -8.438 7.685 1.00 55.54 C
|
| 221 |
+
ATOM 221 OG SER B 2 0.864 -9.189 8.895 1.00 55.54 O
|
| 222 |
+
ATOM 222 N VAL B 3 0.823 -5.396 6.522 1.00 55.01 N
|
| 223 |
+
ATOM 223 CA VAL B 3 0.925 -4.477 5.395 1.00 55.01 C
|
| 224 |
+
ATOM 224 C VAL B 3 2.274 -4.679 4.699 1.00 55.01 C
|
| 225 |
+
ATOM 225 O VAL B 3 3.321 -4.682 5.355 1.00 55.01 O
|
| 226 |
+
ATOM 226 CB VAL B 3 0.786 -3.017 5.857 1.00 55.01 C
|
| 227 |
+
ATOM 227 CG1 VAL B 3 0.813 -2.078 4.657 1.00 55.01 C
|
| 228 |
+
ATOM 228 CG2 VAL B 3 -0.513 -2.845 6.629 1.00 55.01 C
|
| 229 |
+
ATOM 229 N GLN B 4 2.243 -4.809 3.375 1.00 59.42 N
|
| 230 |
+
ATOM 230 CA GLN B 4 3.436 -5.016 2.575 1.00 59.42 C
|
| 231 |
+
ATOM 231 C GLN B 4 3.608 -3.865 1.578 1.00 59.42 C
|
| 232 |
+
ATOM 232 O GLN B 4 2.724 -3.604 0.785 1.00 59.42 O
|
| 233 |
+
ATOM 233 CB GLN B 4 3.327 -6.352 1.834 1.00 59.42 C
|
| 234 |
+
ATOM 234 CG GLN B 4 4.602 -6.758 1.136 1.00 59.42 C
|
| 235 |
+
ATOM 235 CD GLN B 4 4.530 -8.207 0.658 1.00 59.42 C
|
| 236 |
+
ATOM 236 OE1 GLN B 4 5.472 -8.950 0.763 1.00 59.42 O
|
| 237 |
+
ATOM 237 NE2 GLN B 4 3.386 -8.598 0.129 1.00 59.42 N
|
| 238 |
+
ATOM 238 N ILE B 5 4.769 -3.195 1.673 1.00 55.41 N
|
| 239 |
+
ATOM 239 CA ILE B 5 5.051 -2.059 0.814 1.00 55.41 C
|
| 240 |
+
ATOM 240 C ILE B 5 6.062 -2.453 -0.256 1.00 55.41 C
|
| 241 |
+
ATOM 241 O ILE B 5 7.122 -3.005 0.048 1.00 55.41 O
|
| 242 |
+
ATOM 242 CB ILE B 5 5.611 -0.884 1.623 1.00 55.41 C
|
| 243 |
+
ATOM 243 CG1 ILE B 5 4.677 -0.508 2.762 1.00 55.41 C
|
| 244 |
+
ATOM 244 CG2 ILE B 5 5.872 0.316 0.743 1.00 55.41 C
|
| 245 |
+
ATOM 245 CD1 ILE B 5 3.324 -0.015 2.288 1.00 55.41 C
|
| 246 |
+
ATOM 246 N VAL B 6 5.735 -2.184 -1.535 1.00 57.33 N
|
| 247 |
+
ATOM 247 CA VAL B 6 6.599 -2.518 -2.662 1.00 57.33 C
|
| 248 |
+
ATOM 248 C VAL B 6 6.804 -1.279 -3.533 1.00 57.33 C
|
| 249 |
+
ATOM 249 O VAL B 6 5.840 -0.633 -3.932 1.00 57.33 O
|
| 250 |
+
ATOM 250 CB VAL B 6 5.991 -3.656 -3.498 1.00 57.33 C
|
| 251 |
+
ATOM 251 CG1 VAL B 6 6.885 -3.979 -4.674 1.00 57.33 C
|
| 252 |
+
ATOM 252 CG2 VAL B 6 5.770 -4.889 -2.646 1.00 57.33 C
|
| 253 |
+
ATOM 253 N LYS B 7 8.072 -0.986 -3.855 1.00 56.03 N
|
| 254 |
+
ATOM 254 CA LYS B 7 8.411 0.162 -4.678 1.00 56.03 C
|
| 255 |
+
ATOM 255 C LYS B 7 9.390 -0.261 -5.775 1.00 56.03 C
|
| 256 |
+
ATOM 256 O LYS B 7 10.463 -0.761 -5.474 1.00 56.03 O
|
| 257 |
+
ATOM 257 CB LYS B 7 9.031 1.268 -3.824 1.00 56.03 C
|
| 258 |
+
ATOM 258 CG LYS B 7 9.269 2.544 -4.598 1.00 56.03 C
|
| 259 |
+
ATOM 259 CD LYS B 7 10.028 3.562 -3.745 1.00 56.03 C
|
| 260 |
+
ATOM 260 CE LYS B 7 10.296 4.835 -4.487 1.00 56.03 C
|
| 261 |
+
ATOM 261 NZ LYS B 7 10.971 5.818 -3.594 1.00 56.03 N
|
| 262 |
+
ATOM 262 N LYS B 8 8.996 -0.079 -7.003 1.00 54.75 N
|
| 263 |
+
ATOM 263 CA LYS B 8 9.846 -0.473 -8.127 1.00 54.75 C
|
| 264 |
+
ATOM 264 C LYS B 8 10.259 0.737 -9.002 1.00 54.75 C
|
| 265 |
+
ATOM 265 O LYS B 8 9.523 1.661 -9.111 1.00 54.75 O
|
| 266 |
+
ATOM 266 CB LYS B 8 9.133 -1.513 -8.992 1.00 54.75 C
|
| 267 |
+
ATOM 267 CG LYS B 8 8.875 -2.814 -8.239 1.00 54.75 C
|
| 268 |
+
ATOM 268 CD LYS B 8 8.335 -3.884 -9.158 1.00 54.75 C
|
| 269 |
+
ATOM 269 CE LYS B 8 7.924 -5.152 -8.443 1.00 54.75 C
|
| 270 |
+
ATOM 270 NZ LYS B 8 8.912 -5.777 -7.607 1.00 54.75 N
|
| 271 |
+
END
|
| 272 |
+
|