data_3rwd_2 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ILE A ? 1 ? -51.649 60.442 65.269 1.0 30.21 1 F 1 ATOM 2 C CA . ILE A ? 1 ? -50.980 60.464 63.974 1.0 25.85 1 F 1 ATOM 3 C C . ILE A ? 1 ? -49.471 60.302 64.130 1.0 24.46 1 F 1 ATOM 4 O O . ILE A ? 1 ? -48.988 59.920 65.195 1.0 20.84 1 F 1 ATOM 5 C CB . ILE A ? 1 ? -51.284 61.763 63.207 1.0 26.39 1 F 1 ATOM 6 C CG1 . ILE A ? 1 ? -50.929 62.981 64.059 1.0 30.04 1 F 1 ATOM 7 C CG2 . ILE A ? 1 ? -52.750 61.814 62.812 1.0 32.54 1 F 1 ATOM 8 C CD1 . ILE A ? 1 ? -51.332 64.299 63.432 1.0 32.04 1 F 1 ATOM 9 N N . ARG A ? 2 ? -48.731 60.592 63.064 1.0 16.9 2 F 1 ATOM 10 C CA . ARG A ? 2 ? -47.276 60.479 63.094 1.0 20.19 2 F 1 ATOM 11 C C . ARG A ? 2 ? -46.655 61.489 64.053 1.0 22.54 2 F 1 ATOM 12 O O . ARG A ? 2 ? -47.342 62.361 64.584 1.0 25.72 2 F 1 ATOM 13 C CB . ARG A ? 2 ? -46.688 60.657 61.692 1.0 16.8 2 F 1 ATOM 14 C CG . ARG A ? 2 ? -47.066 59.559 60.712 1.0 18.81 2 F 1 ATOM 15 C CD . ARG A ? 2 ? -46.356 59.738 59.380 1.0 20.6 2 F 1 ATOM 16 N NE . ARG A ? 2 ? -46.687 58.676 58.435 1.0 30.31 2 F 1 ATOM 17 C CZ . ARG A ? 2 ? -46.044 57.515 58.362 1.0 27.22 2 F 1 ATOM 18 N NH1 . ARG A ? 2 ? -45.033 57.262 59.181 1.0 20.2 2 F 1 ATOM 19 N NH2 . ARG A ? 2 ? -46.412 56.603 57.471 1.0 13.44 2 F 1 ATOM 20 N N . TYR A ? 3 ? -45.349 61.364 64.271 1.0 24.33 3 F 1 ATOM 21 C CA . TYR A ? 3 ? -44.628 62.270 65.158 1.0 28.79 3 F 1 ATOM 22 C C . TYR A ? 3 ? -44.133 63.501 64.407 1.0 32.1 3 F 1 ATOM 23 O O . TYR A ? 3 ? -43.411 63.383 63.418 1.0 36.97 3 F 1 ATOM 24 C CB . TYR A ? 3 ? -43.450 61.549 65.818 1.0 30.03 3 F 1 ATOM 25 C CG . TYR A ? 3 ? -42.637 62.430 66.739 1.0 28.31 3 F 1 ATOM 26 C CD1 . TYR A ? 3 ? -43.134 62.817 67.976 1.0 30.02 3 F 1 ATOM 27 C CD2 . TYR A ? 3 ? -41.371 62.869 66.374 1.0 28.92 3 F 1 ATOM 28 C CE1 . TYR A ? 3 ? -42.396 63.622 68.823 1.0 27.39 3 F 1 ATOM 29 C CE2 . TYR A ? 3 ? -40.625 63.674 67.216 1.0 35.35 3 F 1 ATOM 30 C CZ . TYR A ? 3 ? -41.143 64.046 68.438 1.0 26.12 3 F 1 ATOM 31 O OH . TYR A ? 3 ? -40.406 64.847 69.281 1.0 28.27 3 F 1 ATOM 32 N N . PRO A ? 4 ? -44.525 64.693 64.882 1.0 37.31 4 F 1 ATOM 33 C CA . PRO A ? 4 ? -44.149 65.974 64.272 1.0 35.91 4 F 1 ATOM 34 C C . PRO A ? 4 ? -42.684 66.317 64.518 1.0 39.11 4 F 1 ATOM 35 O O . PRO A ? 4 ? -42.234 66.277 65.662 1.0 40.02 4 F 1 ATOM 36 C CB . PRO A ? 4 ? -45.040 66.990 65.002 1.0 28.17 4 F 1 ATOM 37 C CG . PRO A ? 4 ? -46.072 66.181 65.730 1.0 37.48 4 F 1 ATOM 38 C CD . PRO A ? 4 ? -45.424 64.877 66.032 1.0 32.36 4 F 1 ATOM 39 N N . LYS A ? 5 ? -41.955 66.653 63.459 1.0 46.67 5 F 1 ATOM 40 C CA . LYS A ? 5 ? -40.565 67.073 63.597 1.0 45.68 5 F 1 ATOM 41 C C . LYS A ? 5 ? -40.503 68.576 63.836 1.0 48.04 5 F 1 ATOM 42 O O . LYS A ? 5 ? -40.727 69.366 62.922 1.0 51.31 5 F 1 ATOM 43 C CB . LYS A ? 5 ? -39.758 66.718 62.346 1.0 40.98 5 F 1 ATOM 44 C CG . LYS A ? 5 ? -38.248 66.746 62.561 1.0 40.03 5 F 1 ATOM 45 C CD . LYS A ? 5 ? -37.487 66.820 61.245 1.0 41.39 5 F 1 ATOM 46 C CE . LYS A ? 5 ? -37.451 68.241 60.705 1.0 49.28 5 F 1 ATOM 47 N NZ . LYS A ? 5 ? -36.720 69.159 61.624 1.0 39.72 5 F 1 ATOM 48 N N . THR A ? 6 ? -40.203 68.966 65.070 1.0 38.26 6 F 1 ATOM 49 C CA . THR A ? 6 ? -40.121 70.376 65.427 1.0 53.98 6 F 1 ATOM 50 C C . THR A ? 6 ? -38.674 70.824 65.616 1.0 57.11 6 F 1 ATOM 51 O O . THR A ? 6 ? -38.388 72.018 65.714 1.0 66.59 6 F 1 ATOM 52 C CB . THR A ? 6 ? -40.938 70.683 66.694 1.0 57.64 6 F 1 ATOM 53 C CG2 . THR A ? 6 ? -42.428 70.602 66.396 1.0 44.78 6 F 1 ATOM 54 O OG1 . THR A ? 6 ? -40.614 69.732 67.714 1.0 53.73 6 F 1 ATOM 55 N N . PHE A ? 7 ? -37.766 69.855 65.663 1.0 50.9 7 F 1 ATOM 56 C CA . PHE A ? 7 ? -36.343 70.143 65.807 1.0 46.07 7 F 1 ATOM 57 C C . PHE A ? 7 ? -35.484 69.077 65.136 1.0 43.35 7 F 1 ATOM 58 O O . PHE A ? 7 ? -34.518 69.394 64.441 1.0 44.42 7 F 1 ATOM 59 C CB . PHE A ? 7 ? -35.964 70.273 67.284 1.0 42.61 7 F 1 ATOM 60 C CG . PHE A ? 7 ? -34.490 70.433 67.518 1.0 48.37 7 F 1 ATOM 61 C CD1 . PHE A ? 7 ? -33.862 71.642 67.267 1.0 44.45 7 F 1 ATOM 62 C CD2 . PHE A ? 7 ? -33.732 69.375 67.992 1.0 41.3 7 F 1 ATOM 63 C CE1 . PHE A ? 7 ? -32.505 71.792 67.483 1.0 41.37 7 F 1 ATOM 64 C CE2 . PHE A ? 7 ? -32.375 69.519 68.209 1.0 41.2 7 F 1 ATOM 65 C CZ . PHE A ? 7 ? -31.761 70.729 67.954 1.0 39.77 7 F 1 ATOM 66 N N . GLY A ? 8 ? -35.838 67.813 65.345 1.0 40.37 8 F 1 ATOM 67 C CA . GLY A ? 8 ? -35.118 66.713 64.730 1.0 43.34 8 F 1 ATOM 68 C C . GLY A ? 8 ? -34.535 65.736 65.732 1.0 40.27 8 F 1 ATOM 69 O O . GLY A ? 8 ? -34.253 66.093 66.877 1.0 38.76 8 F 1 ATOM 70 N N . TRP A ? 9 ? -34.355 64.494 65.295 1.0 36.9 9 F 1 ATOM 71 C CA . TRP A ? 9 ? -33.786 63.452 66.139 1.0 29.38 9 F 1 ATOM 72 C C . TRP A ? 9 ? -32.538 62.860 65.493 1.0 25.42 9 F 1 ATOM 73 O O . TRP A ? 9 ? -32.355 61.643 65.463 1.0 25.69 9 F 1 ATOM 74 C CB . TRP A ? 9 ? -34.819 62.354 66.406 1.0 27.0 9 F 1 ATOM 75 C CG . TRP A ? 9 ? -35.369 61.721 65.161 1.0 32.34 9 F 1 ATOM 76 C CD1 . TRP A ? 9 ? -34.864 60.638 64.501 1.0 30.87 9 F 1 ATOM 77 C CD2 . TRP A ? 9 ? -36.530 62.131 64.429 1.0 32.18 9 F 1 ATOM 78 C CE2 . TRP A ? 9 ? -36.668 61.251 63.337 1.0 35.47 9 F 1 ATOM 79 C CE3 . TRP A ? 9 ? -37.467 63.156 64.591 1.0 33.45 9 F 1 ATOM 80 N NE1 . TRP A ? 9 ? -35.639 60.350 63.404 1.0 27.75 9 F 1 ATOM 81 C CZ2 . TRP A ? 9 ? -37.704 61.366 62.412 1.0 39.42 9 F 1 ATOM 82 C CZ3 . TRP A ? 9 ? -38.495 63.268 63.671 1.0 36.21 9 F 1 ATOM 83 C CH2 . TRP A ? 9 ? -38.605 62.378 62.596 1.0 37.69 9 F 1 ATOM 84 N N . LEU A ? 10 ? -31.681 63.735 64.976 1.0 20.98 10 F 1 ATOM 85 C CA . LEU A ? 10 ? -30.464 63.312 64.293 1.0 22.67 10 F 1 ATOM 86 C C . LEU A ? 10 ? -29.551 62.500 65.206 1.0 21.41 10 F 1 ATOM 87 O O . LEU A ? 10 ? -29.388 62.820 66.383 1.0 23.23 10 F 1 ATOM 88 C CB . LEU A ? 10 ? -29.713 64.527 63.744 1.0 20.85 10 F 1 ATOM 89 C CG . LEU A ? 10 ? -30.476 65.388 62.734 1.0 20.66 10 F 1 ATOM 90 C CD1 . LEU A ? 10 ? -29.677 66.631 62.370 1.0 16.07 10 F 1 ATOM 91 C CD2 . LEU A ? 10 ? -30.819 64.581 61.492 1.0 25.4 10 F 1 ATOM 92 N N . TRP A ? 11 ? -28.960 61.445 64.654 1.0 19.64 11 F 1 ATOM 93 C CA . TRP A ? 11 ? -28.034 60.603 65.401 1.0 18.57 11 F 1 ATOM 94 C C . TRP A ? 11 ? -26.707 61.318 65.626 1.0 21.54 11 F 1 ATOM 95 O O . TRP A ? 11 ? -25.972 61.008 66.563 1.0 21.79 11 F 1 ATOM 96 C CB . TRP A ? 11 ? -27.794 59.281 64.669 1.0 18.84 11 F 1 ATOM 97 C CG . TRP A ? 11 ? -28.984 58.372 64.650 1.0 22.19 11 F 1 ATOM 98 C CD1 . TRP A ? 11 ? -30.243 58.659 65.090 1.0 20.44 11 F 1 ATOM 99 C CD2 . TRP A ? 11 ? -29.023 57.023 64.171 1.0 21.51 11 F 1 ATOM 100 C CE2 . TRP A ? 11 ? -30.341 56.555 64.350 1.0 23.67 11 F 1 ATOM 101 C CE3 . TRP A ? 11 ? -28.074 56.165 63.607 1.0 17.47 11 F 1 ATOM 102 N NE1 . TRP A ? 11 ? -31.065 57.573 64.912 1.0 24.02 11 F 1 ATOM 103 C CZ2 . TRP A ? 11 ? -30.732 55.269 63.985 1.0 17.58 11 F 1 ATOM 104 C CZ3 . TRP A ? 11 ? -28.464 54.889 63.246 1.0 18.28 11 F 1 ATOM 105 C CH2 . TRP A ? 11 ? -29.781 54.452 63.437 1.0 19.44 11 F 1 ATOM 106 O OXT . TRP A ? 11 ? -26.341 62.221 64.875 1.0 23.69 11 F 1 #