data_4u1s_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 . PHE A ? 1 ? -51.896 58.922 63.864 1.0 20.47 1 C 1 ATOM 2 C CA . PHE A ? 1 ? -51.395 60.281 63.601 1.0 18.48 1 C 1 ATOM 3 C C . PHE A ? 1 ? -49.901 60.291 63.937 1.0 18.17 1 C 1 ATOM 4 O O . PHE A ? 1 ? -49.563 60.129 65.115 1.0 19.24 1 C 1 ATOM 5 C CB . PHE A ? 1 ? -52.198 61.172 64.480 1.0 19.23 1 C 1 ATOM 6 C CG . PHE A ? 1 ? -52.015 62.621 64.251 1.0 20.15 1 C 1 ATOM 7 C CD1 . PHE A ? 1 ? -52.720 63.296 63.252 1.0 22.45 1 C 1 ATOM 8 C CD2 . PHE A ? 1 ? -51.230 63.359 65.106 1.0 21.41 1 C 1 ATOM 9 C CE1 . PHE A ? 1 ? -52.603 64.643 63.088 1.0 24.16 1 C 1 ATOM 10 C CE2 . PHE A ? 1 ? -51.123 64.711 64.939 1.0 22.96 1 C 1 ATOM 11 C CZ . PHE A ? 1 ? -51.812 65.362 63.937 1.0 24.4 1 C 1 ATOM 12 N N . PRO A ? 2 ? -49.032 60.446 62.923 1.0 15.31 2 C 1 ATOM 13 C CA . PRO A ? 2 ? -47.589 60.301 63.208 1.0 15.28 2 C 1 ATOM 14 C C . PRO A ? 2 ? -47.017 61.492 63.909 1.0 17.12 2 C 1 ATOM 15 O O . PRO A ? 2 ? -47.648 62.540 63.962 1.0 17.94 2 C 1 ATOM 16 C CB . PRO A ? 2 ? -46.933 60.126 61.831 1.0 14.94 2 C 1 ATOM 17 C CG . PRO A ? 2 ? -47.900 60.845 60.888 1.0 15.05 2 C 1 ATOM 18 C CD . PRO A ? 2 ? -49.277 60.613 61.484 1.0 15.89 2 C 1 ATOM 19 N N . ARG A ? 3 ? -45.854 61.259 64.555 1.0 19.09 3 C 1 ATOM 20 C CA . ARG A ? 3 ? -45.119 62.349 65.190 1.0 21.41 3 C 1 ATOM 21 C C . ARG A ? 3 ? -44.268 63.006 64.143 1.0 22.36 3 C 1 ATOM 22 O O . ARG A ? 3 ? -43.949 62.365 63.174 1.0 26.04 3 C 1 ATOM 23 C CB . ARG A ? 3 ? -44.207 61.804 66.275 1.0 20.75 3 C 1 ATOM 24 C CG . ARG A ? 3 ? -43.219 60.726 65.871 1.0 21.77 3 C 1 ATOM 25 C CD . ARG A ? 3 ? -41.986 60.781 66.792 1.0 23.69 3 C 1 ATOM 26 N NE . ARG A ? 3 ? -41.061 59.680 66.557 1.0 25.74 3 C 1 ATOM 27 C CZ . ARG A ? 3 ? -40.219 59.609 65.537 1.0 23.02 3 C 1 ATOM 28 N NH1 . ARG A ? 3 ? -40.271 60.561 64.637 1.0 21.7 3 C 1 ATOM 29 N NH2 . ARG A ? 3 ? -39.435 58.538 65.371 1.0 23.7 3 C 1 ATOM 30 N N . PRO A ? 4 ? -43.697 64.176 64.446 1.0 28.39 4 C 1 ATOM 31 C CA . PRO A ? 4 ? -42.743 64.795 63.548 1.0 30.25 4 C 1 ATOM 32 C C . PRO A ? 4 ? -41.310 64.226 63.613 1.0 33.43 4 C 1 ATOM 33 O O . PRO A ? 4 ? -41.025 63.370 64.452 1.0 30.58 4 C 1 ATOM 34 C CB . PRO A ? 4 ? -42.798 66.304 63.951 1.0 32.43 4 C 1 ATOM 35 C CG . PRO A ? 4 ? -44.051 66.448 64.717 1.0 31.99 4 C 1 ATOM 36 C CD . PRO A ? 4 ? -44.183 65.147 65.451 1.0 30.58 4 C 1 ATOM 37 N N A TRP A ? 5 ? -40.425 64.779 62.771 0.5 34.42 5 C 1 ATOM 38 N N B TRP A ? 5 ? -40.422 64.738 62.780 0.5 30.79 5 C 1 ATOM 39 C CA A TRP A ? 5 ? -39.123 64.144 62.395 0.5 37.85 5 C 1 ATOM 40 C CA B TRP A ? 5 ? -39.204 63.995 62.425 0.5 31.34 5 C 1 ATOM 41 C C A TRP A ? 5 ? -38.074 63.977 63.480 0.5 37.27 5 C 1 ATOM 42 C C B TRP A ? 5 ? -38.054 63.991 63.455 0.5 33.41 5 C 1 ATOM 43 O O A TRP A ? 5 ? -37.175 63.090 63.392 0.5 37.12 5 C 1 ATOM 44 O O B TRP A ? 5 ? -37.074 63.202 63.308 0.5 33.1 5 C 1 ATOM 45 C CB A TRP A ? 5 ? -38.440 64.857 61.200 0.5 39.84 5 C 1 ATOM 46 C CB B TRP A ? 5 ? -38.707 64.497 61.066 0.5 29.73 5 C 1 ATOM 47 C CG A TRP A ? 5 ? -38.152 66.342 61.319 0.5 45.51 5 C 1 ATOM 48 C CG B TRP A ? 5 ? -38.626 65.955 61.044 0.5 30.38 5 C 1 ATOM 49 C CD1 A TRP A ? 5 ? -39.006 67.365 60.979 0.5 49.5 5 C 1 ATOM 50 C CD1 B TRP A ? 5 ? -37.516 66.706 61.304 0.5 32.39 5 C 1 ATOM 51 C CD2 A TRP A ? 5 ? -36.904 66.984 61.691 0.5 47.7 5 C 1 ATOM 52 C CD2 B TRP A ? 5 ? -39.699 66.898 60.766 0.5 30.2 5 C 1 ATOM 53 C CE2 A TRP A ? 5 ? -37.104 68.388 61.585 0.5 51.8 5 C 1 ATOM 54 C CE2 B TRP A ? 5 ? -39.149 68.193 60.868 0.5 31.97 5 C 1 ATOM 55 C CE3 A TRP A ? 5 ? -35.658 66.517 62.122 0.5 47.03 5 C 1 ATOM 56 C CE3 B TRP A ? 5 ? -41.063 66.769 60.437 0.5 29.3 5 C 1 ATOM 57 N NE1 A TRP A ? 5 ? -38.389 68.591 61.151 0.5 51.91 5 C 1 ATOM 58 N NE1 B TRP A ? 5 ? -37.819 68.050 61.183 0.5 31.97 5 C 1 ATOM 59 C CZ2 A TRP A ? 5 ? -36.094 69.327 61.898 0.5 53.26 5 C 1 ATOM 60 C CZ2 B TRP A ? 5 ? -39.916 69.345 60.667 0.5 32.36 5 C 1 ATOM 61 C CZ3 A TRP A ? 5 ? -34.646 67.463 62.425 0.5 49.14 5 C 1 ATOM 62 C CZ3 B TRP A ? 5 ? -41.814 67.910 60.227 0.5 29.96 5 C 1 ATOM 63 C CH2 A TRP A ? 5 ? -34.880 68.839 62.319 0.5 50.69 5 C 1 ATOM 64 C CH2 B TRP A ? 5 ? -41.239 69.179 60.347 0.5 31.4 5 C 1 ATOM 65 N N . LEU A ? 6 ? -38.172 64.855 64.465 1.0 36.03 6 C 1 ATOM 66 C CA . LEU A ? 6 ? -37.281 64.859 65.618 1.0 41.28 6 C 1 ATOM 67 C C . LEU A ? 6 ? -35.934 65.505 65.332 1.0 43.54 6 C 1 ATOM 68 O O . LEU A ? 6 ? -35.847 66.729 65.178 1.0 46.48 6 C 1 ATOM 69 C CB . LEU A ? 6 ? -37.081 63.441 66.225 1.0 40.68 6 C 1 ATOM 70 C CG . LEU A ? 6 ? -38.316 62.763 66.818 1.0 39.45 6 C 1 ATOM 71 C CD1 . LEU A ? 6 ? -37.767 61.491 67.424 1.0 35.99 6 C 1 ATOM 72 C CD2 . LEU A ? 6 ? -39.108 63.622 67.817 1.0 38.44 6 C 1 ATOM 73 N N . HIS A ? 7 ? -34.900 64.684 65.333 1.0 37.54 7 C 1 ATOM 74 C CA . HIS A ? 7 ? -33.539 65.150 65.195 1.0 37.65 7 C 1 ATOM 75 C C . HIS A ? 7 ? -32.950 63.896 64.612 1.0 32.65 7 C 1 ATOM 76 O O . HIS A ? 7 ? -33.534 62.847 64.777 1.0 32.83 7 C 1 ATOM 77 C CB . HIS A ? 7 ? -32.885 65.589 66.530 1.0 39.13 7 C 1 ATOM 78 C CG . HIS A ? 7 ? -31.521 66.174 66.348 1.0 44.34 7 C 1 ATOM 79 C CD2 . HIS A ? 7 ? -30.313 65.586 66.158 1.0 46.75 7 C 1 ATOM 80 N ND1 . HIS A ? 7 ? -31.300 67.533 66.233 1.0 51.09 7 C 1 ATOM 81 C CE1 . HIS A ? 7 ? -30.011 67.760 66.018 1.0 50.79 7 C 1 ATOM 82 N NE2 . HIS A ? 7 ? -29.390 66.593 65.970 1.0 54.21 7 C 1 ATOM 83 N N . GLY A ? 8 ? -31.895 64.044 63.834 1.0 33.29 8 C 1 ATOM 84 C CA . GLY A ? 8 ? -31.173 62.888 63.340 1.0 34.33 8 C 1 ATOM 85 C C . GLY A ? 8 ? -30.411 62.186 64.478 1.0 30.66 8 C 1 ATOM 86 O O . GLY A ? 8 ? -30.320 62.672 65.594 1.0 37.12 8 C 1 ATOM 87 N N . LEU A ? 9 ? -29.918 61.023 64.175 1.0 22.65 9 C 1 ATOM 88 C CA . LEU A ? 9 ? -29.073 60.259 65.055 1.0 20.64 9 C 1 ATOM 89 C C . LEU A ? 9 ? -27.659 60.627 64.766 1.0 21.29 9 C 1 ATOM 90 O O . LEU A ? 9 ? -26.732 60.219 65.477 1.0 21.32 9 C 1 ATOM 91 C CB . LEU A ? 9 ? -29.299 58.777 64.776 1.0 19.31 9 C 1 ATOM 92 C CG . LEU A ? 9 ? -30.695 58.257 65.070 1.0 18.1 9 C 1 ATOM 93 C CD1 . LEU A ? 9 ? -30.718 56.834 64.579 1.0 19.29 9 C 1 ATOM 94 C CD2 . LEU A ? 9 ? -31.036 58.399 66.561 1.0 20.12 9 C 1 ATOM 95 O OXT . LEU A ? 9 ? -27.401 61.471 63.855 1.0 22.03 9 C 1 #