data_3mrj_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 ? -51.813 59.488 63.768 1.0 27.48 1 P 1 ATOM 2 C CA . CYS A ? 1 ? -51.140 60.806 63.552 1.0 27.93 1 P 1 ATOM 3 C C . CYS A ? 1 ? -49.657 60.669 63.892 1.0 26.39 1 P 1 ATOM 4 O O . CYS A ? 1 ? -49.317 60.423 65.047 1.0 25.5 1 P 1 ATOM 5 C CB . CYS A ? 1 ? -51.772 61.860 64.452 1.0 29.62 1 P 1 ATOM 6 S SG . CYS A ? 1 ? -51.092 63.509 64.274 1.0 34.19 1 P 1 ATOM 7 N N . ILE A ? 2 ? -48.782 60.819 62.902 1.0 25.38 2 P 1 ATOM 8 C CA . ILE A ? 2 ? -47.349 60.651 63.148 1.0 26.19 2 P 1 ATOM 9 C C . ILE A ? 2 ? -46.709 61.866 63.813 1.0 26.19 2 P 1 ATOM 10 O O . ILE A ? 2 ? -47.211 62.984 63.697 1.0 24.54 2 P 1 ATOM 11 C CB . ILE A ? 2 ? -46.520 60.282 61.881 1.0 26.56 2 P 1 ATOM 12 C CG1 . ILE A ? 2 ? -46.521 61.388 60.835 1.0 26.47 2 P 1 ATOM 13 C CG2 . ILE A ? 2 ? -46.997 58.997 61.273 1.0 27.81 2 P 1 ATOM 14 C CD1 . ILE A ? 2 ? -45.518 61.104 59.718 1.0 27.7 2 P 1 ATOM 15 N N . ASN A ? 3 ? -45.605 61.624 64.509 1.0 28.41 3 P 1 ATOM 16 C CA . ASN A ? 3 ? -44.899 62.673 65.243 1.0 34.21 3 P 1 ATOM 17 C C . ASN A ? 3 ? -44.297 63.713 64.298 1.0 38.97 3 P 1 ATOM 18 O O . ASN A ? 3 ? -43.629 63.363 63.333 1.0 40.83 3 P 1 ATOM 19 C CB . ASN A ? 3 ? -43.818 62.040 66.116 1.0 34.99 3 P 1 ATOM 20 C CG . ASN A ? 3 ? -43.339 62.957 67.231 1.0 36.24 3 P 1 ATOM 21 N ND2 . ASN A ? 3 ? -42.558 62.390 68.139 1.0 36.83 3 P 1 ATOM 22 O OD1 . ASN A ? 3 ? -43.659 64.144 67.283 1.0 35.29 3 P 1 ATOM 23 N N . GLY A ? 4 ? -44.536 64.990 64.592 1.0 43.54 4 P 1 ATOM 24 C CA . GLY A ? 4 ? -44.230 66.087 63.665 1.0 48.17 4 P 1 ATOM 25 C C . GLY A ? 4 ? -42.883 66.781 63.795 1.0 50.67 4 P 1 ATOM 26 O O . GLY A ? 4 ? -42.596 67.734 63.059 1.0 51.27 4 P 1 ATOM 27 N N A MET A ? 5 ? -42.054 66.284 64.709 0.5 51.56 5 P 1 ATOM 28 N N B MET A ? 5 ? -42.069 66.336 64.747 0.5 51.47 5 P 1 ATOM 29 C CA A MET A ? 5 ? -40.719 66.832 64.946 0.5 52.93 5 P 1 ATOM 30 C CA B MET A ? 5 ? -40.711 66.860 64.887 0.5 52.62 5 P 1 ATOM 31 C C A MET A ? 5 ? -39.653 65.745 64.802 0.5 52.59 5 P 1 ATOM 32 C C B MET A ? 5 ? -39.701 65.739 64.677 0.5 52.51 5 P 1 ATOM 33 O O A MET A ? 5 ? -39.883 64.592 65.183 0.5 52.68 5 P 1 ATOM 34 O O B MET A ? 5 ? -40.011 64.562 64.894 0.5 52.55 5 P 1 ATOM 35 C CB A MET A ? 5 ? -40.655 67.505 66.324 0.5 53.73 5 P 1 ATOM 36 C CB B MET A ? 5 ? -40.508 67.538 66.248 0.5 53.76 5 P 1 ATOM 37 C CG A MET A ? 5 ? -41.566 66.873 67.383 0.5 54.06 5 P 1 ATOM 38 C CG B MET A ? 5 ? -41.341 68.805 66.483 0.5 54.58 5 P 1 ATOM 39 S SD A MET A ? 5 ? -41.939 67.981 68.758 0.5 54.36 5 P 1 ATOM 40 S SD B MET A ? 5 ? -41.032 70.163 65.331 0.5 55.8 5 P 1 ATOM 41 C CE A MET A ? 5 ? -43.180 67.028 69.633 0.5 54.34 5 P 1 ATOM 42 C CE B MET A ? 5 ? -39.323 70.566 65.696 0.5 55.58 5 P 1 ATOM 43 N N . CYS A ? 6 ? -38.500 66.116 64.242 1.0 52.6 6 P 1 ATOM 44 C CA . CYS A ? 6 ? -37.435 65.158 63.920 1.0 51.12 6 P 1 ATOM 45 C C . CYS A ? 6 ? -36.042 65.637 64.331 1.0 48.33 6 P 1 ATOM 46 O O . CYS A ? 6 ? -35.751 66.836 64.313 1.0 48.49 6 P 1 ATOM 47 C CB . CYS A ? 6 ? -37.433 64.833 62.423 1.0 53.2 6 P 1 ATOM 48 S SG . CYS A ? 6 ? -38.370 63.361 61.918 1.0 57.12 6 P 1 ATOM 49 N N . TRP A ? 7 ? -35.202 64.671 64.707 1.0 43.21 7 P 1 ATOM 50 C CA . TRP A ? 7 ? -33.804 64.889 65.058 1.0 38.17 7 P 1 ATOM 51 C C . TRP A ? 7 ? -32.981 63.772 64.435 1.0 33.34 7 P 1 ATOM 52 O O . TRP A ? 7 ? -33.431 62.635 64.347 1.0 32.69 7 P 1 ATOM 53 C CB . TRP A ? 7 ? -33.605 64.853 66.577 1.0 39.71 7 P 1 ATOM 54 C CG . TRP A ? 7 ? -34.440 65.838 67.315 1.0 39.81 7 P 1 ATOM 55 C CD1 . TRP A ? 7 ? -34.053 67.069 67.761 1.0 40.37 7 P 1 ATOM 56 C CD2 . TRP A ? 7 ? -35.810 65.677 67.697 1.0 40.16 7 P 1 ATOM 57 C CE2 . TRP A ? 7 ? -36.193 66.855 68.377 1.0 40.66 7 P 1 ATOM 58 C CE3 . TRP A ? 7 ? -36.755 64.650 67.531 1.0 40.6 7 P 1 ATOM 59 N NE1 . TRP A ? 7 ? -35.101 67.687 68.409 1.0 40.98 7 P 1 ATOM 60 C CZ2 . TRP A ? 7 ? -37.475 67.036 68.893 1.0 40.3 7 P 1 ATOM 61 C CZ3 . TRP A ? 7 ? -38.033 64.831 68.042 1.0 40.5 7 P 1 ATOM 62 C CH2 . TRP A ? 7 ? -38.379 66.014 68.717 1.0 40.82 7 P 1 ATOM 63 N N . THR A ? 8 ? -31.762 64.101 64.033 1.0 28.51 8 P 1 ATOM 64 C CA A THR A ? 8 ? -30.887 63.143 63.384 0.5 27.37 8 P 1 ATOM 65 C CA B THR A ? 8 ? -30.887 63.133 63.390 0.5 27.13 8 P 1 ATOM 66 C C . THR A ? 8 ? -29.917 62.547 64.412 1.0 26.55 8 P 1 ATOM 67 O O . THR A ? 8 ? -29.641 63.161 65.434 1.0 26.42 8 P 1 ATOM 68 C CB A THR A ? 8 ? -30.174 63.792 62.151 0.5 28.06 8 P 1 ATOM 69 C CB B THR A ? 8 ? -30.137 63.761 62.190 0.5 27.57 8 P 1 ATOM 70 C CG2 A THR A ? 8 ? -29.194 64.882 62.560 0.5 27.63 8 P 1 ATOM 71 C CG2 B THR A ? 8 ? -31.136 64.259 61.133 0.5 27.05 8 P 1 ATOM 72 O OG1 A THR A ? 8 ? -29.497 62.793 61.386 0.5 27.86 8 P 1 ATOM 73 O OG1 B THR A ? 8 ? -29.331 64.856 62.641 0.5 26.86 8 P 1 ATOM 74 N N . VAL A ? 9 ? -29.412 61.347 64.153 1.0 25.47 9 P 1 ATOM 75 C CA . VAL A ? 9 ? -28.553 60.683 65.136 1.0 22.97 9 P 1 ATOM 76 C C . VAL A ? 9 ? -27.144 61.278 65.177 1.0 24.33 9 P 1 ATOM 77 O O . VAL A ? 9 ? -26.333 60.870 66.022 1.0 22.97 9 P 1 ATOM 78 C CB . VAL A ? 9 ? -28.436 59.164 64.874 1.0 21.85 9 P 1 ATOM 79 C CG1 . VAL A ? 9 ? -29.824 58.487 64.830 1.0 19.74 9 P 1 ATOM 80 C CG2 . VAL A ? 9 ? -27.647 58.925 63.604 1.0 20.31 9 P 1 ATOM 81 O OXT . VAL A ? 9 ? -26.785 62.140 64.359 1.0 23.69 9 P 1 #