data_3mri_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 . CYS A ? 1 ? -51.659 59.166 63.672 1.0 45.61 1 P 1 ATOM 2 C CA . CYS A ? 1 ? -51.140 60.527 63.457 1.0 45.18 1 P 1 ATOM 3 C C . CYS A ? 1 ? -49.708 60.596 63.952 1.0 44.92 1 P 1 ATOM 4 O O . CYS A ? 1 ? -49.471 60.592 65.173 1.0 44.42 1 P 1 ATOM 5 C CB . CYS A ? 1 ? -51.986 61.523 64.222 1.0 45.04 1 P 1 ATOM 6 S SG . CYS A ? 1 ? -51.592 63.235 63.872 1.0 47.53 1 P 1 ATOM 7 N N . ILE A ? 2 ? -48.766 60.675 63.000 1.0 44.28 2 P 1 ATOM 8 C CA . ILE A ? 2 ? -47.336 60.587 63.293 1.0 43.65 2 P 1 ATOM 9 C C . ILE A ? 2 ? -46.754 61.796 64.015 1.0 43.88 2 P 1 ATOM 10 O O . ILE A ? 2 ? -47.318 62.887 64.012 1.0 43.25 2 P 1 ATOM 11 C CB . ILE A ? 2 ? -46.451 60.268 62.050 1.0 43.71 2 P 1 ATOM 12 C CG1 . ILE A ? 2 ? -46.492 61.374 61.000 1.0 43.7 2 P 1 ATOM 13 C CG2 . ILE A ? 2 ? -46.792 58.940 61.414 1.0 42.86 2 P 1 ATOM 14 C CD1 . ILE A ? 2 ? -45.337 61.258 60.014 1.0 42.8 2 P 1 ATOM 15 N N . ASN A ? 3 ? -45.616 61.548 64.653 1.0 44.41 3 P 1 ATOM 16 C CA . ASN A ? 3 ? -44.773 62.561 65.256 1.0 45.07 3 P 1 ATOM 17 C C . ASN A ? 3 ? -44.073 63.415 64.194 1.0 45.1 3 P 1 ATOM 18 O O . ASN A ? 3 ? -43.943 63.009 63.030 1.0 44.73 3 P 1 ATOM 19 C CB . ASN A ? 3 ? -43.703 61.863 66.119 1.0 45.14 3 P 1 ATOM 20 C CG . ASN A ? 3 ? -43.045 62.806 67.139 1.0 47.36 3 P 1 ATOM 21 N ND2 . ASN A ? 3 ? -41.945 62.354 67.735 1.0 48.41 3 P 1 ATOM 22 O OD1 . ASN A ? 3 ? -43.528 63.920 67.393 1.0 48.66 3 P 1 ATOM 23 N N . MET A ? 4 ? -43.644 64.602 64.607 1.0 45.17 4 P 1 ATOM 24 C CA A MET A ? 4 ? -42.751 65.457 63.844 0.5 45.78 4 P 1 ATOM 25 C CA B MET A ? 4 ? -42.735 65.388 63.772 0.5 45.13 4 P 1 ATOM 26 C C . MET A ? 4 ? -41.310 65.091 64.234 1.0 45.52 4 P 1 ATOM 27 O O . MET A ? 4 ? -40.831 65.547 65.285 1.0 45.17 4 P 1 ATOM 28 C CB A MET A ? 4 ? -43.072 66.912 64.218 0.5 45.75 4 P 1 ATOM 29 C CB B MET A ? 4 ? -43.056 66.892 63.768 0.5 44.85 4 P 1 ATOM 30 C CG A MET A ? 4 ? -42.287 67.996 63.513 0.5 45.88 4 P 1 ATOM 31 C CG B MET A ? 4 ? -43.134 67.529 62.352 0.5 43.9 4 P 1 ATOM 32 S SD A MET A ? 4 ? -43.000 69.596 63.938 0.5 47.14 4 P 1 ATOM 33 S SD B MET A ? 4 ? -41.695 67.362 61.252 0.5 41.44 4 P 1 ATOM 34 C CE A MET A ? 4 ? -42.094 70.035 65.436 0.5 46.64 4 P 1 ATOM 35 C CE B MET A ? 4 ? -42.239 68.273 59.808 0.5 42.57 4 P 1 ATOM 36 N N . TRP A ? 5 ? -40.640 64.276 63.420 1.0 45.76 5 P 1 ATOM 37 C CA . TRP A ? 5 ? -39.330 63.744 63.765 1.0 46.01 5 P 1 ATOM 38 C C . TRP A ? 5 ? -38.181 64.349 62.996 1.0 45.59 5 P 1 ATOM 39 O O . TRP A ? 5 ? -37.930 63.983 61.842 1.0 45.19 5 P 1 ATOM 40 C CB . TRP A ? 5 ? -39.313 62.232 63.604 1.0 47.03 5 P 1 ATOM 41 C CG . TRP A ? 5 ? -38.912 61.618 64.872 1.0 48.99 5 P 1 ATOM 42 C CD1 . TRP A ? 5 ? -39.743 61.166 65.867 1.0 49.87 5 P 1 ATOM 43 C CD2 . TRP A ? 5 ? -37.579 61.455 65.353 1.0 49.01 5 P 1 ATOM 44 C CE2 . TRP A ? 5 ? -37.667 60.865 66.632 1.0 49.38 5 P 1 ATOM 45 C CE3 . TRP A ? 5 ? -36.322 61.716 64.814 1.0 48.47 5 P 1 ATOM 46 N NE1 . TRP A ? 5 ? -38.995 60.699 66.921 1.0 50.43 5 P 1 ATOM 47 C CZ2 . TRP A ? 5 ? -36.550 60.547 67.379 1.0 49.03 5 P 1 ATOM 48 C CZ3 . TRP A ? 5 ? -35.226 61.399 65.547 1.0 49.15 5 P 1 ATOM 49 C CH2 . TRP A ? 5 ? -35.339 60.825 66.823 1.0 49.49 5 P 1 ATOM 50 N N . CYS A ? 6 ? -37.466 65.248 63.667 1.0 44.68 6 P 1 ATOM 51 C CA . CYS A ? 6 ? -36.434 66.057 63.028 1.0 44.54 6 P 1 ATOM 52 C C . CYS A ? 6 ? -35.029 65.964 63.647 1.0 43.28 6 P 1 ATOM 53 O O . CYS A ? 6 ? -34.132 66.685 63.217 1.0 43.64 6 P 1 ATOM 54 C CB . CYS A ? 6 ? -36.880 67.518 63.006 1.0 45.08 6 P 1 ATOM 55 S SG . CYS A ? 6 ? -37.001 68.219 64.675 1.0 47.87 6 P 1 ATOM 56 N N . TRP A ? 7 ? -34.835 65.085 64.630 1.0 41.77 7 P 1 ATOM 57 C CA . TRP A ? 7 ? -33.505 64.841 65.209 1.0 40.45 7 P 1 ATOM 58 C C . TRP A ? 7 ? -32.751 63.695 64.533 1.0 39.8 7 P 1 ATOM 59 O O . TRP A ? 7 ? -33.266 62.590 64.372 1.0 39.03 7 P 1 ATOM 60 C CB . TRP A ? 7 ? -33.610 64.598 66.702 1.0 40.19 7 P 1 ATOM 61 C CG . TRP A ? 7 ? -34.496 65.607 67.355 1.0 40.67 7 P 1 ATOM 62 C CD1 . TRP A ? 7 ? -34.144 66.858 67.798 1.0 40.98 7 P 1 ATOM 63 C CD2 . TRP A ? 7 ? -35.899 65.471 67.616 1.0 40.6 7 P 1 ATOM 64 C CE2 . TRP A ? 7 ? -36.332 66.666 68.231 1.0 40.08 7 P 1 ATOM 65 C CE3 . TRP A ? 7 ? -36.835 64.448 67.395 1.0 41.72 7 P 1 ATOM 66 N NE1 . TRP A ? 7 ? -35.247 67.501 68.326 1.0 40.63 7 P 1 ATOM 67 C CZ2 . TRP A ? 7 ? -37.653 66.864 68.622 1.0 39.98 7 P 1 ATOM 68 C CZ3 . TRP A ? 7 ? -38.142 64.648 67.792 1.0 40.86 7 P 1 ATOM 69 C CH2 . TRP A ? 7 ? -38.541 65.849 68.392 1.0 40.98 7 P 1 ATOM 70 N N . THR A ? 8 ? -31.530 63.988 64.110 1.0 39.37 8 P 1 ATOM 71 C CA . THR A ? 8 ? -30.670 62.996 63.471 1.0 38.85 8 P 1 ATOM 72 C C . THR A ? 8 ? -29.820 62.339 64.553 1.0 38.77 8 P 1 ATOM 73 O O . THR A ? 8 ? -29.720 62.853 65.689 1.0 38.27 8 P 1 ATOM 74 C CB . THR A ? 8 ? -29.789 63.623 62.367 1.0 38.72 8 P 1 ATOM 75 C CG2 . THR A ? 8 ? -30.620 63.895 61.145 1.0 39.38 8 P 1 ATOM 76 O OG1 . THR A ? 8 ? -29.255 64.873 62.827 1.0 37.66 8 P 1 ATOM 77 N N . VAL A ? 9 ? -29.255 61.185 64.211 1.0 38.38 9 P 1 ATOM 78 C CA . VAL A ? 9 ? -28.384 60.456 65.119 1.0 38.65 9 P 1 ATOM 79 C C . VAL A ? 9 ? -26.987 61.078 65.133 1.0 39.0 9 P 1 ATOM 80 O O . VAL A ? 9 ? -26.233 60.894 66.093 1.0 39.3 9 P 1 ATOM 81 C CB . VAL A ? 9 ? -28.285 58.949 64.761 1.0 38.78 9 P 1 ATOM 82 C CG1 . VAL A ? 9 ? -29.650 58.275 64.793 1.0 38.22 9 P 1 ATOM 83 C CG2 . VAL A ? 9 ? -27.606 58.750 63.412 1.0 38.02 9 P 1 ATOM 84 O OXT . VAL A ? 9 ? -26.580 61.778 64.188 1.0 39.48 9 P 1 #