data_3tpu_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 ? -50.937 58.576 63.919 1.0 61.95 1 J 1 ATOM 2 C CA . PHE A ? 1 ? -50.697 59.924 63.444 1.0 80.64 1 J 1 ATOM 3 C C . PHE A ? 1 ? -49.221 60.230 63.486 1.0 72.01 1 J 1 ATOM 4 O O . PHE A ? 1 ? -48.399 59.333 63.606 1.0 47.5 1 J 1 ATOM 5 C CB . PHE A ? 1 ? -51.466 60.947 64.270 1.0 80.81 1 J 1 ATOM 6 C CG . PHE A ? 1 ? -51.562 62.296 63.622 1.0 75.37 1 J 1 ATOM 7 C CD1 . PHE A ? 1 ? -51.833 62.412 62.276 1.0 65.72 1 J 1 ATOM 8 C CD2 . PHE A ? 1 ? -51.406 63.449 64.364 1.0 78.34 1 J 1 ATOM 9 C CE1 . PHE A ? 1 ? -51.930 63.644 61.683 1.0 66.03 1 J 1 ATOM 10 C CE2 . PHE A ? 1 ? -51.506 64.687 63.770 1.0 70.06 1 J 1 ATOM 11 C CZ . PHE A ? 1 ? -51.768 64.782 62.430 1.0 71.96 1 J 1 ATOM 12 N N . LEU A ? 2 ? -48.888 61.505 63.390 1.0 69.36 2 J 1 ATOM 13 C CA . LEU A ? 2 ? -47.504 61.890 63.243 1.0 60.04 2 J 1 ATOM 14 C C . LEU A ? 2 ? -46.763 62.395 64.458 1.0 60.65 2 J 1 ATOM 15 O O . LEU A ? 2 ? -47.242 63.235 65.201 1.0 82.38 2 J 1 ATOM 16 C CB . LEU A ? 2 ? -47.379 62.877 62.092 1.0 64.29 2 J 1 ATOM 17 C CG . LEU A ? 2 ? -47.629 62.246 60.731 1.0 88.67 2 J 1 ATOM 18 C CD1 . LEU A ? 2 ? -47.853 63.304 59.686 1.0 68.83 2 J 1 ATOM 19 C CD2 . LEU A ? 2 ? -46.472 61.348 60.355 1.0 73.6 2 J 1 ATOM 20 N N . SER A ? 3 ? -45.563 61.866 64.621 1.0 50.62 3 J 1 ATOM 21 C CA . SER A ? 3 ? -44.597 62.331 65.576 1.0 55.66 3 J 1 ATOM 22 C C . SER A ? 3 ? -43.252 62.317 64.870 1.0 57.37 3 J 1 ATOM 23 O O . SER A ? 3 ? -42.405 61.463 65.099 1.0 53.83 3 J 1 ATOM 24 C CB . SER A ? 3 ? -44.607 61.432 66.807 1.0 53.19 3 J 1 ATOM 25 O OG . SER A ? 3 ? -43.660 61.820 67.779 1.0 50.3 3 J 1 ATOM 26 N N . PRO A ? 4 ? -43.079 63.255 63.952 1.0 49.11 4 J 1 ATOM 27 C CA . PRO A ? 4 ? -41.836 63.294 63.169 1.0 56.1 4 J 1 ATOM 28 C C . PRO A ? 4 ? -40.598 63.290 64.063 1.0 51.59 4 J 1 ATOM 29 O O . PRO A ? 4 ? -40.730 63.556 65.258 1.0 59.33 4 J 1 ATOM 30 C CB . PRO A ? 4 ? -41.921 64.547 62.296 1.0 56.07 4 J 1 ATOM 31 C CG . PRO A ? 4 ? -43.428 64.755 62.114 1.0 52.46 4 J 1 ATOM 32 C CD . PRO A ? 4 ? -44.043 64.325 63.421 1.0 46.08 4 J 1 ATOM 33 N N . PHE A ? 5 ? -39.432 62.960 63.509 1.0 46.35 5 J 1 ATOM 34 C CA . PHE A ? 5 ? -38.221 62.861 64.318 1.0 51.7 5 J 1 ATOM 35 C C . PHE A ? 5 ? -37.078 63.626 63.679 1.0 61.96 5 J 1 ATOM 36 O O . PHE A ? 5 ? -36.670 63.307 62.556 1.0 45.35 5 J 1 ATOM 37 C CB . PHE A ? 5 ? -37.818 61.406 64.555 1.0 44.35 5 J 1 ATOM 38 C CG . PHE A ? 5 ? -36.773 61.237 65.630 1.0 54.73 5 J 1 ATOM 39 C CD1 . PHE A ? 5 ? -35.419 61.411 65.348 1.0 44.73 5 J 1 ATOM 40 C CD2 . PHE A ? 5 ? -37.142 60.919 66.933 1.0 56.96 5 J 1 ATOM 41 C CE1 . PHE A ? 5 ? -34.450 61.257 66.334 1.0 33.93 5 J 1 ATOM 42 C CE2 . PHE A ? 5 ? -36.174 60.764 67.929 1.0 50.0 5 J 1 ATOM 43 C CZ . PHE A ? 5 ? -34.826 60.931 67.623 1.0 44.15 5 J 1 ATOM 44 N N . TRP A ? 6 ? -36.565 64.623 64.409 1.0 57.05 6 J 1 ATOM 45 C CA . TRP A ? 6 ? -35.628 65.592 63.860 1.0 45.98 6 J 1 ATOM 46 C C . TRP A ? 6 ? -34.320 65.732 64.619 1.0 54.25 6 J 1 ATOM 47 O O . TRP A ? 6 ? -33.395 66.366 64.118 1.0 54.72 6 J 1 ATOM 48 C CB . TRP A ? 6 ? -36.242 66.981 63.857 1.0 53.97 6 J 1 ATOM 49 C CG . TRP A ? 6 ? -37.654 67.105 63.462 1.0 50.98 6 J 1 ATOM 50 C CD1 . TRP A ? 6 ? -38.711 67.342 64.282 1.0 48.47 6 J 1 ATOM 51 C CD2 . TRP A ? 6 ? -38.173 67.071 62.131 1.0 51.28 6 J 1 ATOM 52 C CE2 . TRP A ? 6 ? -39.568 67.276 62.222 1.0 52.27 6 J 1 ATOM 53 C CE3 . TRP A ? 6 ? -37.597 66.881 60.872 1.0 46.6 6 J 1 ATOM 54 N NE1 . TRP A ? 6 ? -39.874 67.442 63.544 1.0 51.54 6 J 1 ATOM 55 C CZ2 . TRP A ? 6 ? -40.393 67.283 61.104 1.0 64.81 6 J 1 ATOM 56 C CZ3 . TRP A ? 6 ? -38.423 66.887 59.760 1.0 59.14 6 J 1 ATOM 57 C CH2 . TRP A ? 6 ? -39.805 67.085 59.884 1.0 62.88 6 J 1 ATOM 58 N N . PHE A ? 7 ? -34.242 65.225 65.842 1.0 55.86 7 J 1 ATOM 59 C CA . PHE A ? 7 ? -33.016 65.395 66.620 1.0 54.52 7 J 1 ATOM 60 C C . PHE A ? 7 ? -31.842 64.724 65.907 1.0 55.94 7 J 1 ATOM 61 O O . PHE A ? 7 ? -32.009 63.695 65.250 1.0 65.06 7 J 1 ATOM 62 C CB . PHE A ? 7 ? -33.199 64.841 68.029 1.0 58.91 7 J 1 ATOM 63 C CG . PHE A ? 7 ? -34.258 65.557 68.828 1.0 60.78 7 J 1 ATOM 64 C CD1 . PHE A ? 7 ? -33.906 66.402 69.882 1.0 54.73 7 J 1 ATOM 65 C CD2 . PHE A ? 7 ? -35.605 65.385 68.522 1.0 49.52 7 J 1 ATOM 66 C CE1 . PHE A ? 7 ? -34.878 67.062 70.614 1.0 61.62 7 J 1 ATOM 67 C CE2 . PHE A ? 7 ? -36.587 66.042 69.253 1.0 59.39 7 J 1 ATOM 68 C CZ . PHE A ? 7 ? -36.226 66.886 70.304 1.0 64.73 7 J 1 ATOM 69 N N . ASP A ? 8 ? -30.669 65.318 66.004 1.0 65.17 8 J 1 ATOM 70 C CA . ASP A ? 8 ? -29.525 64.755 65.329 1.0 67.32 8 J 1 ATOM 71 C C . ASP A ? 8 ? -29.220 63.416 65.963 1.0 58.14 8 J 1 ATOM 72 O O . ASP A ? 8 ? -29.686 63.112 67.050 1.0 72.79 8 J 1 ATOM 73 C CB . ASP A ? 8 ? -28.334 65.696 65.423 1.0 74.06 8 J 1 ATOM 74 C CG . ASP A ? 8 ? -28.373 66.787 64.390 1.0 65.2 8 J 1 ATOM 75 O OD1 . ASP A ? 8 ? -29.255 66.733 63.507 1.0 65.61 8 J 1 ATOM 76 O OD2 . ASP A ? 8 ? -27.524 67.682 64.447 1.0 55.61 8 J 1 ATOM 77 N N . ILE A ? 9 ? -28.425 62.609 65.267 1.0 56.03 9 J 1 ATOM 78 C CA . ILE A ? 9 ? -28.050 61.290 65.762 1.0 65.79 9 J 1 ATOM 79 C C . ILE A ? 9 ? -26.804 61.363 66.638 1.0 61.18 9 J 1 ATOM 80 O O . ILE A ? 9 ? -25.686 61.156 66.164 1.0 56.94 9 J 1 ATOM 81 C CB . ILE A ? 9 ? -27.796 60.305 64.606 1.0 59.11 9 J 1 ATOM 82 C CG1 . ILE A ? 9 ? -29.103 59.990 63.876 1.0 61.27 9 J 1 ATOM 83 C CG2 . ILE A ? 9 ? -27.149 59.030 65.124 1.0 61.98 9 J 1 ATOM 84 C CD1 . ILE A ? 9 ? -30.247 59.631 64.800 1.0 64.29 9 J 1 ATOM 85 O OXT . ILE A ? 9 ? -26.891 61.630 67.837 1.0 30.0 9 J 1 #