data_3rwi_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 . GLY A ? 1 ? -51.756 65.469 63.002 1.0 44.72 1 C 1 ATOM 2 C CA . GLY A ? 1 ? -51.670 64.105 62.511 1.0 40.65 1 C 1 ATOM 3 C C . GLY A ? 1 ? -51.084 63.168 63.544 1.0 29.41 1 C 1 ATOM 4 O O . GLY A ? 1 ? -50.702 63.598 64.635 1.0 31.71 1 C 1 ATOM 5 N N . SER A ? 2 ? -51.010 61.886 63.203 1.0 22.97 2 C 1 ATOM 6 C CA . SER A ? 2 ? -50.464 60.881 64.109 1.0 19.88 2 C 1 ATOM 7 C C . SER A ? 2 ? -48.951 60.767 63.959 1.0 18.69 2 C 1 ATOM 8 O O . SER A ? 2 ? -48.254 60.358 64.888 1.0 21.28 2 C 1 ATOM 9 C CB . SER A ? 2 ? -51.121 59.522 63.862 1.0 19.63 2 C 1 ATOM 10 O OG . SER A ? 2 ? -51.634 59.436 62.544 1.0 18.93 2 C 1 ATOM 11 N N . HIS A ? 3 ? -48.449 61.132 62.784 1.0 14.72 3 C 1 ATOM 12 C CA . HIS A ? 3 ? -47.019 61.068 62.508 1.0 20.02 3 C 1 ATOM 13 C C . HIS A ? 3 ? -46.234 61.968 63.456 1.0 23.84 3 C 1 ATOM 14 O O . HIS A ? 3 ? -46.567 63.140 63.635 1.0 19.51 3 C 1 ATOM 15 C CB . HIS A ? 3 ? -46.735 61.460 61.057 1.0 14.04 3 C 1 ATOM 16 C CG . HIS A ? 3 ? -46.770 60.306 60.102 1.0 17.56 3 C 1 ATOM 17 C CD2 . HIS A ? 3 ? -47.735 59.880 59.253 1.0 13.78 3 C 1 ATOM 18 N ND1 . HIS A ? 3 ? -45.713 59.436 59.947 1.0 19.7 3 C 1 ATOM 19 C CE1 . HIS A ? 3 ? -46.025 58.523 59.044 1.0 20.01 3 C 1 ATOM 20 N NE2 . HIS A ? 3 ? -47.247 58.771 58.608 1.0 20.4 3 C 1 ATOM 21 N N . LEU A ? 4 ? -45.190 61.413 64.062 1.0 19.08 4 C 1 ATOM 22 C CA . LEU A ? 4 ? -44.357 62.162 64.995 1.0 20.81 4 C 1 ATOM 23 C C . LEU A ? 4 ? -43.768 63.405 64.335 1.0 25.02 4 C 1 ATOM 24 O O . LEU A ? 4 ? -43.079 63.312 63.319 1.0 25.03 4 C 1 ATOM 25 C CB . LEU A ? 4 ? -43.235 61.277 65.543 1.0 20.83 4 C 1 ATOM 26 C CG . LEU A ? 4 ? -42.229 61.957 66.474 1.0 17.41 4 C 1 ATOM 27 C CD1 . LEU A ? 4 ? -42.911 62.441 67.744 1.0 20.34 4 C 1 ATOM 28 C CD2 . LEU A ? 4 ? -41.080 61.014 66.802 1.0 17.36 4 C 1 ATOM 29 N N . GLU A ? 5 ? -44.045 64.566 64.918 1.0 20.11 5 C 1 ATOM 30 C CA . GLU A ? 5 ? -43.541 65.828 64.388 1.0 20.55 5 C 1 ATOM 31 C C . GLU A ? 5 ? -42.076 66.034 64.755 1.0 18.71 5 C 1 ATOM 32 O O . GLU A ? 5 ? -41.290 66.537 63.952 1.0 22.43 5 C 1 ATOM 33 C CB . GLU A ? 5 ? -44.382 66.998 64.904 1.0 36.14 5 C 1 ATOM 34 C CG . GLU A ? 5 ? -43.771 68.364 64.640 1.0 60.67 5 C 1 ATOM 35 C CD . GLU A ? 5 ? -43.926 68.804 63.197 1.0 83.52 5 C 1 ATOM 36 O OE1 . GLU A ? 5 ? -44.505 68.037 62.401 1.0 92.87 5 C 1 ATOM 37 O OE2 . GLU A ? 5 ? -43.467 69.915 62.860 1.0 90.75 5 C 1 ATOM 38 N N . VAL A ? 6 ? -41.714 65.641 65.971 1.0 21.38 6 C 1 ATOM 39 C CA . VAL A ? 6 ? -40.342 65.779 66.445 1.0 17.5 6 C 1 ATOM 40 C C . VAL A ? 6 ? -39.407 64.830 65.703 1.0 22.81 6 C 1 ATOM 41 O O . VAL A ? 6 ? -39.699 63.644 65.553 1.0 24.22 6 C 1 ATOM 42 C CB . VAL A ? 6 ? -40.238 65.510 67.957 1.0 21.35 6 C 1 ATOM 43 C CG1 . VAL A ? 6 ? -38.808 65.717 68.435 1.0 24.96 6 C 1 ATOM 44 C CG2 . VAL A ? 6 ? -41.199 66.407 68.723 1.0 25.21 6 C 1 ATOM 45 N N . GLN A ? 7 ? -38.279 65.361 65.241 1.0 21.6 7 C 1 ATOM 46 C CA . GLN A ? 7 ? -37.300 64.564 64.511 1.0 19.5 7 C 1 ATOM 47 C C . GLN A ? 7 ? -36.084 64.255 65.378 1.0 22.5 7 C 1 ATOM 48 O O . GLN A ? 7 ? -35.430 65.161 65.895 1.0 19.66 7 C 1 ATOM 49 C CB . GLN A ? 7 ? -36.866 65.285 63.234 1.0 17.52 7 C 1 ATOM 50 C CG . GLN A ? 7 ? -38.010 65.923 62.463 1.0 21.41 7 C 1 ATOM 51 C CD . GLN A ? 7 ? -38.876 64.901 61.753 1.0 26.8 7 C 1 ATOM 52 N NE2 . GLN A ? 7 ? -40.182 65.142 61.735 1.0 25.61 7 C 1 ATOM 53 O OE1 . GLN A ? 7 ? -38.377 63.907 61.226 1.0 21.29 7 C 1 ATOM 54 N N . GLY A ? 8 ? -35.784 62.969 65.531 1.0 20.32 8 C 1 ATOM 55 C CA . GLY A ? 8 ? -34.649 62.539 66.326 1.0 14.12 8 C 1 ATOM 56 C C . GLY A ? 8 ? -33.439 62.209 65.475 1.0 21.73 8 C 1 ATOM 57 O O . GLY A ? 8 ? -33.355 61.129 64.890 1.0 18.94 8 C 1 ATOM 58 N N . TYR A ? 9 ? -32.498 63.144 65.405 1.0 20.65 9 C 1 ATOM 59 C CA . TYR A ? 9 ? -31.288 62.955 64.618 1.0 22.06 9 C 1 ATOM 60 C C . TYR A ? 9 ? -30.223 62.221 65.420 1.0 24.0 9 C 1 ATOM 61 O O . TYR A ? 9 ? -29.982 62.532 66.589 1.0 18.98 9 C 1 ATOM 62 C CB . TYR A ? 9 ? -30.735 64.293 64.125 1.0 21.93 9 C 1 ATOM 63 C CG . TYR A ? 9 ? -31.680 65.066 63.234 1.0 22.11 9 C 1 ATOM 64 C CD1 . TYR A ? 9 ? -31.723 64.834 61.866 1.0 21.51 9 C 1 ATOM 65 C CD2 . TYR A ? 9 ? -32.520 66.038 63.760 1.0 26.57 9 C 1 ATOM 66 C CE1 . TYR A ? 9 ? -32.583 65.543 61.049 1.0 23.06 9 C 1 ATOM 67 C CE2 . TYR A ? 9 ? -33.383 66.751 62.952 1.0 30.1 9 C 1 ATOM 68 C CZ . TYR A ? 9 ? -33.411 66.501 61.598 1.0 23.92 9 C 1 ATOM 69 O OH . TYR A ? 9 ? -34.271 67.214 60.796 1.0 33.38 9 C 1 ATOM 70 N N . TRP A ? 10 ? -29.580 61.251 64.782 1.0 16.92 10 C 1 ATOM 71 C CA . TRP A ? 10 ? -28.516 60.495 65.423 1.0 18.54 10 C 1 ATOM 72 C C . TRP A ? 10 ? -27.269 61.349 65.599 1.0 19.37 10 C 1 ATOM 73 O O . TRP A ? 10 ? -27.056 62.312 64.863 1.0 18.97 10 C 1 ATOM 74 C CB . TRP A ? 10 ? -28.187 59.252 64.602 1.0 18.24 10 C 1 ATOM 75 C CG . TRP A ? 10 ? -29.257 58.217 64.658 1.0 19.15 10 C 1 ATOM 76 C CD1 . TRP A ? 10 ? -30.465 58.315 65.298 1.0 22.05 10 C 1 ATOM 77 C CD2 . TRP A ? 10 ? -29.223 56.920 64.061 1.0 14.09 10 C 1 ATOM 78 C CE2 . TRP A ? 10 ? -30.441 56.282 64.378 1.0 20.64 10 C 1 ATOM 79 C CE3 . TRP A ? 10 ? -28.280 56.228 63.295 1.0 14.29 10 C 1 ATOM 80 N NE1 . TRP A ? 10 ? -31.181 57.157 65.133 1.0 15.88 10 C 1 ATOM 81 C CZ2 . TRP A ? 10 ? -30.740 54.989 63.949 1.0 14.88 10 C 1 ATOM 82 C CZ3 . TRP A ? 10 ? -28.577 54.946 62.871 1.0 13.25 10 C 1 ATOM 83 C CH2 . TRP A ? 10 ? -29.798 54.337 63.202 1.0 15.53 10 C 1 ATOM 84 O OXT . TRP A ? 10 ? -26.448 61.089 66.477 1.0 19.77 10 C 1 #