data_3h9s_1 # 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 . MET A ? 1 ? -51.861 59.514 63.941 1.0 63.8 1 C 1 ATOM 2 C CA . MET A ? 1 ? -51.086 60.684 63.481 1.0 64.7 1 C 1 ATOM 3 C C . MET A ? 1 ? -49.606 60.665 63.872 1.0 63.25 1 C 1 ATOM 4 O O . MET A ? 1 ? -49.267 60.527 65.051 1.0 63.08 1 C 1 ATOM 5 C CB . MET A ? 1 ? -51.724 61.951 63.989 1.0 65.43 1 C 1 ATOM 6 C CG . MET A ? 1 ? -50.854 63.138 63.784 1.0 66.6 1 C 1 ATOM 7 S SD . MET A ? 1 ? -51.806 64.600 63.860 1.0 68.7 1 C 1 ATOM 8 C CE . MET A ? 1 ? -52.774 64.448 62.357 1.0 69.22 1 C 1 ATOM 9 N N . LEU A ? 2 ? -48.744 60.807 62.865 1.0 61.99 2 C 1 ATOM 10 C CA . LEU A ? 2 ? -47.298 60.956 63.027 1.0 61.36 2 C 1 ATOM 11 C C . LEU A ? 2 ? -46.794 62.103 63.895 1.0 61.59 2 C 1 ATOM 12 O O . LEU A ? 2 ? -47.434 63.136 64.089 1.0 61.03 2 C 1 ATOM 13 C CB . LEU A ? 2 ? -46.627 61.120 61.669 1.0 60.32 2 C 1 ATOM 14 C CG . LEU A ? 2 ? -46.609 60.017 60.627 1.0 59.52 2 C 1 ATOM 15 C CD1 . LEU A ? 2 ? -46.374 60.697 59.323 1.0 59.84 2 C 1 ATOM 16 C CD2 . LEU A ? 2 ? -45.482 59.120 60.926 1.0 59.28 2 C 1 ATOM 17 N N . TRP A ? 3 ? -45.573 61.900 64.341 1.0 62.73 3 C 1 ATOM 18 C CA . TRP A ? 3 ? -44.912 62.717 65.318 1.0 64.22 3 C 1 ATOM 19 C C . TRP A ? 3 ? -44.167 63.777 64.560 1.0 63.98 3 C 1 ATOM 20 O O . TRP A ? 3 ? -43.437 63.487 63.658 1.0 65.17 3 C 1 ATOM 21 C CB . TRP A ? 3 ? -44.061 61.737 66.137 1.0 66.29 3 C 1 ATOM 22 C CG . TRP A ? 3 ? -42.828 62.110 66.902 1.0 67.17 3 C 1 ATOM 23 C CD1 . TRP A ? 3 ? -41.653 61.372 66.960 1.0 67.82 3 C 1 ATOM 24 C CD2 . TRP A ? 3 ? -42.646 63.203 67.796 1.0 66.37 3 C 1 ATOM 25 C CE2 . TRP A ? 3 ? -41.351 63.087 68.346 1.0 66.36 3 C 1 ATOM 26 C CE3 . TRP A ? 3 ? -43.435 64.271 68.167 1.0 66.32 3 C 1 ATOM 27 N NE1 . TRP A ? 3 ? -40.751 61.981 67.808 1.0 67.62 3 C 1 ATOM 28 C CZ2 . TRP A ? 3 ? -40.845 64.000 69.200 1.0 66.66 3 C 1 ATOM 29 C CZ3 . TRP A ? 3 ? -42.947 65.154 69.050 1.0 67.45 3 C 1 ATOM 30 C CH2 . TRP A ? 3 ? -41.656 65.028 69.554 1.0 67.42 3 C 1 ATOM 31 N N . GLY A ? 4 ? -44.407 65.027 64.888 1.0 64.9 4 C 1 ATOM 32 C CA . GLY A ? 4 ? -43.966 66.111 64.042 1.0 65.19 4 C 1 ATOM 33 C C . GLY A ? 4 ? -42.610 66.694 64.361 1.0 66.55 4 C 1 ATOM 34 O O . GLY A ? 4 ? -42.247 67.772 63.868 1.0 66.12 4 C 1 ATOM 35 N N . TYR A ? 5 ? -41.864 65.992 65.203 1.0 68.05 5 C 1 ATOM 36 C CA . TYR A ? 5 ? -40.536 66.427 65.584 1.0 70.89 5 C 1 ATOM 37 C C . TYR A ? 5 ? -39.679 65.194 65.504 1.0 71.65 5 C 1 ATOM 38 O O . TYR A ? 5 ? -40.149 64.115 65.804 1.0 73.46 5 C 1 ATOM 39 C CB . TYR A ? 5 ? -40.559 67.033 66.988 1.0 72.48 5 C 1 ATOM 40 C CG . TYR A ? 5 ? -39.211 67.407 67.578 1.0 73.41 5 C 1 ATOM 41 C CD1 . TYR A ? 5 ? -38.669 68.669 67.352 1.0 74.05 5 C 1 ATOM 42 C CD2 . TYR A ? 5 ? -38.499 66.524 68.400 1.0 73.0 5 C 1 ATOM 43 C CE1 . TYR A ? 5 ? -37.433 69.035 67.894 1.0 74.01 5 C 1 ATOM 44 C CE2 . TYR A ? 5 ? -37.269 66.874 68.939 1.0 72.89 5 C 1 ATOM 45 C CZ . TYR A ? 5 ? -36.740 68.128 68.675 1.0 73.52 5 C 1 ATOM 46 O OH . TYR A ? 5 ? -35.524 68.507 69.200 1.0 74.09 5 C 1 ATOM 47 N N . LEU A ? 6 ? -38.458 65.319 65.001 1.0 72.13 6 C 1 ATOM 48 C CA . LEU A ? 6 ? -37.525 64.192 64.959 1.0 72.25 6 C 1 ATOM 49 C C . LEU A ? 6 ? -36.172 64.810 64.921 1.0 71.9 6 C 1 ATOM 50 O O . LEU A ? 6 ? -35.992 65.859 64.324 1.0 72.9 6 C 1 ATOM 51 C CB . LEU A ? 6 ? -37.620 63.338 63.705 1.0 73.01 6 C 1 ATOM 52 C CG . LEU A ? 6 ? -38.851 62.745 63.057 1.0 74.57 6 C 1 ATOM 53 C CD1 . LEU A ? 6 ? -39.436 63.803 62.052 1.0 76.26 6 C 1 ATOM 54 C CD2 . LEU A ? 6 ? -38.452 61.501 62.325 1.0 74.63 6 C 1 ATOM 55 N N . GLN A ? 7 ? -35.204 64.144 65.517 1.0 70.78 7 C 1 ATOM 56 C CA . GLN A ? 7 ? -33.886 64.706 65.584 1.0 70.26 7 C 1 ATOM 57 C C . GLN A ? 7 ? -32.946 63.717 64.905 1.0 68.17 7 C 1 ATOM 58 O O . GLN A ? 7 ? -33.136 62.513 65.021 1.0 68.5 7 C 1 ATOM 59 C CB . GLN A ? 7 ? -33.578 65.017 67.056 1.0 72.35 7 C 1 ATOM 60 C CG . GLN A ? 7 ? -32.142 65.007 67.495 1.0 75.15 7 C 1 ATOM 61 C CD . GLN A ? 7 ? -31.360 66.288 67.242 1.0 77.01 7 C 1 ATOM 62 N NE2 . GLN A ? 7 ? -31.039 67.005 68.330 1.0 76.96 7 C 1 ATOM 63 O OE1 . GLN A ? 7 ? -31.011 66.615 66.086 1.0 78.46 7 C 1 ATOM 64 N N . TYR A ? 8 ? -31.984 64.238 64.142 1.0 66.21 8 C 1 ATOM 65 C CA . TYR A ? 8 ? -30.995 63.448 63.393 1.0 64.31 8 C 1 ATOM 66 C C . TYR A ? 8 ? -30.201 62.566 64.321 1.0 64.21 8 C 1 ATOM 67 O O . TYR A ? 8 ? -30.076 62.847 65.507 1.0 64.7 8 C 1 ATOM 68 C CB . TYR A ? 8 ? -29.957 64.349 62.724 1.0 61.67 8 C 1 ATOM 69 C CG . TYR A ? 8 ? -30.431 65.171 61.576 1.0 60.96 8 C 1 ATOM 70 C CD1 . TYR A ? 8 ? -31.253 64.637 60.591 1.0 60.31 8 C 1 ATOM 71 C CD2 . TYR A ? 8 ? -30.024 66.494 61.452 1.0 60.65 8 C 1 ATOM 72 C CE1 . TYR A ? 8 ? -31.664 65.419 59.534 1.0 59.97 8 C 1 ATOM 73 C CE2 . TYR A ? 8 ? -30.437 67.272 60.411 1.0 59.5 8 C 1 ATOM 74 C CZ . TYR A ? 8 ? -31.241 66.734 59.454 1.0 60.07 8 C 1 ATOM 75 O OH . TYR A ? 8 ? -31.642 67.530 58.410 1.0 61.04 8 C 1 ATOM 76 N N . VAL A ? 9 ? -29.597 61.534 63.779 1.0 64.44 9 C 1 ATOM 77 C CA . VAL A ? 9 ? -28.957 60.583 64.649 1.0 65.15 9 C 1 ATOM 78 C C . VAL A ? 9 ? -27.521 61.057 65.001 1.0 65.91 9 C 1 ATOM 79 O O . VAL A ? 9 ? -26.999 62.000 64.397 1.0 66.41 9 C 1 ATOM 80 C CB . VAL A ? 9 ? -29.063 59.200 64.014 1.0 64.34 9 C 1 ATOM 81 C CG1 . VAL A ? 9 ? -27.815 58.858 63.331 1.0 64.72 9 C 1 ATOM 82 C CG2 . VAL A ? 9 ? -29.473 58.173 65.022 1.0 64.34 9 C 1 ATOM 83 O OXT . VAL A ? 9 ? -26.852 60.611 65.939 1.0 66.7 9 C 1 #