data_3mrg_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 ? -51.871 59.424 63.849 1.0 14.29 1 P 1 ATOM 2 C CA . CYS A ? 1 ? -51.228 60.701 63.462 1.0 14.49 1 P 1 ATOM 3 C C . CYS A ? 1 ? -49.741 60.661 63.854 1.0 12.59 1 P 1 ATOM 4 O O . CYS A ? 1 ? -49.401 60.408 65.023 1.0 12.4 1 P 1 ATOM 5 C CB A CYS A ? 1 ? -51.916 61.797 64.293 0.7 14.53 1 P 1 ATOM 6 C CB B CYS A ? 1 ? -52.013 61.923 63.932 0.3 15.38 1 P 1 ATOM 7 S SG A CYS A ? 1 ? -51.247 63.462 64.251 0.7 14.87 1 P 1 ATOM 8 S SG B CYS A ? 1 ? -51.324 62.771 65.289 0.3 18.53 1 P 1 ATOM 9 N N . ILE A ? 2 ? -48.858 60.845 62.871 1.0 11.3 2 P 1 ATOM 10 C CA . ILE A ? 2 ? -47.405 60.708 63.094 1.0 11.1 2 P 1 ATOM 11 C C . ILE A ? 2 ? -46.774 61.899 63.822 1.0 10.96 2 P 1 ATOM 12 O O . ILE A ? 2 ? -47.340 62.987 63.823 1.0 10.6 2 P 1 ATOM 13 C CB A ILE A ? 2 ? -46.599 60.342 61.845 0.7 12.18 2 P 1 ATOM 14 C CB B ILE A ? 2 ? -46.716 60.552 61.707 0.3 11.33 2 P 1 ATOM 15 C CG1 A ILE A ? 2 ? -46.663 61.435 60.798 0.7 12.09 2 P 1 ATOM 16 C CG1 B ILE A ? 2 ? -46.056 59.185 61.558 0.3 11.8 2 P 1 ATOM 17 C CG2 A ILE A ? 2 ? -47.079 59.033 61.267 0.7 13.19 2 P 1 ATOM 18 C CG2 B ILE A ? 2 ? -45.683 61.628 61.468 0.3 11.7 2 P 1 ATOM 19 C CD1 A ILE A ? 2 ? -45.615 61.200 59.758 0.7 14.13 2 P 1 ATOM 20 C CD1 B ILE A ? 2 ? -45.510 58.962 60.174 0.3 11.64 2 P 1 ATOM 21 N N . ASN A ? 3 ? -45.615 61.699 64.444 1.0 10.49 3 P 1 ATOM 22 C CA . ASN A ? 3 ? -44.939 62.786 65.151 1.0 12.81 3 P 1 ATOM 23 C C . ASN A ? 3 ? -44.465 63.872 64.171 1.0 13.98 3 P 1 ATOM 24 O O . ASN A ? 3 ? -44.079 63.569 63.048 1.0 14.91 3 P 1 ATOM 25 C CB . ASN A ? 3 ? -43.785 62.215 65.977 1.0 13.62 3 P 1 ATOM 26 C CG . ASN A ? 3 ? -43.205 63.205 66.952 1.0 15.76 3 P 1 ATOM 27 N ND2 . ASN A ? 3 ? -42.166 62.775 67.652 1.0 17.32 3 P 1 ATOM 28 O OD1 . ASN A ? 3 ? -43.669 64.330 67.085 1.0 19.87 3 P 1 ATOM 29 N N . GLY A ? 4 ? -44.563 65.135 64.581 1.0 16.51 4 P 1 ATOM 30 C CA . GLY A ? 4 ? -44.244 66.276 63.721 1.0 18.0 4 P 1 ATOM 31 C C . GLY A ? 4 ? -42.765 66.618 63.602 1.0 19.37 4 P 1 ATOM 32 O O . GLY A ? 4 ? -42.386 67.502 62.840 1.0 20.49 4 P 1 ATOM 33 N N . VAL A ? 5 ? -41.926 65.931 64.364 1.0 19.51 5 P 1 ATOM 34 C CA . VAL A ? 5 ? -40.482 66.043 64.198 1.0 20.21 5 P 1 ATOM 35 C C . VAL A ? 5 ? -39.892 64.644 64.144 1.0 20.36 5 P 1 ATOM 36 O O . VAL A ? 5 ? -40.426 63.729 64.781 1.0 21.55 5 P 1 ATOM 37 C CB A VAL A ? 5 ? -39.791 66.910 65.273 0.5 20.6 5 P 1 ATOM 38 C CB B VAL A ? 5 ? -39.867 66.748 65.434 0.5 20.31 5 P 1 ATOM 39 C CG1 A VAL A ? 5 ? -40.120 68.390 65.067 0.5 20.55 5 P 1 ATOM 40 C CG1 B VAL A ? 5 ? -38.390 67.047 65.219 0.5 19.69 5 P 1 ATOM 41 C CG2 A VAL A ? 5 ? -40.157 66.445 66.655 0.5 20.65 5 P 1 ATOM 42 C CG2 B VAL A ? 5 ? -40.636 68.018 65.777 0.5 20.33 5 P 1 ATOM 43 N N . CYS A ? 6 ? -38.830 64.466 63.359 1.0 19.58 6 P 1 ATOM 44 C CA . CYS A ? 6 ? -38.081 63.212 63.338 1.0 19.18 6 P 1 ATOM 45 C C . CYS A ? 6 ? -36.609 63.514 63.568 1.0 19.39 6 P 1 ATOM 46 O O . CYS A ? 6 ? -35.941 64.147 62.741 1.0 18.48 6 P 1 ATOM 47 C CB . CYS A ? 6 ? -38.240 62.455 62.025 1.0 19.5 6 P 1 ATOM 48 S SG . CYS A ? 6 ? -37.548 60.774 62.105 1.0 20.51 6 P 1 ATOM 49 N N . TRP A ? 7 ? -36.108 63.035 64.690 1.0 18.61 7 P 1 ATOM 50 C CA . TRP A ? 7 ? -34.808 63.443 65.184 1.0 17.62 7 P 1 ATOM 51 C C . TRP A ? 7 ? -33.639 62.670 64.544 1.0 15.83 7 P 1 ATOM 52 O O . TRP A ? 7 ? -33.646 61.435 64.599 1.0 18.12 7 P 1 ATOM 53 C CB . TRP A ? 7 ? -34.822 63.208 66.692 1.0 19.21 7 P 1 ATOM 54 C CG . TRP A ? 7 ? -35.831 64.064 67.417 1.0 19.51 7 P 1 ATOM 55 C CD1 . TRP A ? 7 ? -37.094 63.708 67.824 1.0 19.91 7 P 1 ATOM 56 C CD2 . TRP A ? 7 ? -35.645 65.420 67.826 1.0 19.26 7 P 1 ATOM 57 C CE2 . TRP A ? 7 ? -36.829 65.828 68.487 1.0 20.15 7 P 1 ATOM 58 C CE3 . TRP A ? 7 ? -34.585 66.328 67.706 1.0 21.04 7 P 1 ATOM 59 N NE1 . TRP A ? 7 ? -37.699 64.765 68.476 1.0 20.44 7 P 1 ATOM 60 C CZ2 . TRP A ? 7 ? -36.977 67.108 69.026 1.0 20.62 7 P 1 ATOM 61 C CZ3 . TRP A ? 7 ? -34.736 67.600 68.232 1.0 21.0 7 P 1 ATOM 62 C CH2 . TRP A ? 7 ? -35.926 67.981 68.881 1.0 21.81 7 P 1 ATOM 63 N N . THR A ? 8 ? -32.660 63.380 63.962 1.0 16.8 8 P 1 ATOM 64 C CA . THR A ? 8 ? -31.451 62.731 63.356 1.0 16.04 8 P 1 ATOM 65 C C . THR A ? 8 ? -30.424 62.287 64.396 1.0 15.91 8 P 1 ATOM 66 O O . THR A ? 8 ? -30.225 62.971 65.396 1.0 16.89 8 P 1 ATOM 67 C CB A THR A ? 8 ? -30.782 63.543 62.200 0.5 16.15 8 P 1 ATOM 68 C CB B THR A ? 8 ? -30.683 63.697 62.397 0.5 16.79 8 P 1 ATOM 69 C CG2 A THR A ? 8 ? -29.839 64.632 62.719 0.5 15.73 8 P 1 ATOM 70 C CG2 B THR A ? 8 ? -31.473 63.981 61.129 0.5 17.11 8 P 1 ATOM 71 O OG1 A THR A ? 8 ? -30.043 62.646 61.358 0.5 15.05 8 P 1 ATOM 72 O OG1 B THR A ? 8 ? -30.408 64.945 63.056 0.5 18.36 8 P 1 ATOM 73 N N . VAL A ? 9 ? -29.743 61.169 64.129 1.0 14.08 9 P 1 ATOM 74 C CA . VAL A ? 9 ? -28.799 60.545 65.075 1.0 13.78 9 P 1 ATOM 75 C C . VAL A ? 9 ? -27.436 61.231 65.140 1.0 14.76 9 P 1 ATOM 76 O O . VAL A ? 9 ? -26.620 60.974 66.061 1.0 15.62 9 P 1 ATOM 77 C CB . VAL A ? 9 ? -28.594 59.036 64.752 1.0 13.45 9 P 1 ATOM 78 C CG1 . VAL A ? 9 ? -29.908 58.299 64.825 1.0 12.78 9 P 1 ATOM 79 C CG2 . VAL A ? 9 ? -27.940 58.856 63.380 1.0 13.78 9 P 1 ATOM 80 O OXT . VAL A ? 9 ? -27.099 62.045 64.277 1.0 15.84 9 P 1 #