data_3ws3_2 # 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 . TYR A ? 1 ? -51.384 59.552 63.059 1.0 48.89 1 F 1 ATOM 2 C CA . TYR A ? 1 ? -50.719 60.836 63.255 1.0 54.4 1 F 1 ATOM 3 C C . TYR A ? 1 ? -49.271 60.616 63.637 1.0 45.68 1 F 1 ATOM 4 O O . TYR A ? 1 ? -48.962 60.274 64.774 1.0 43.26 1 F 1 ATOM 5 C CB . TYR A ? 1 ? -51.427 61.638 64.331 1.0 64.15 1 F 1 ATOM 6 C CG . TYR A ? 1 ? -51.038 63.092 64.425 1.0 61.27 1 F 1 ATOM 7 C CD1 . TYR A ? 1 ? -51.703 64.050 63.675 1.0 54.76 1 F 1 ATOM 8 C CD2 . TYR A ? 1 ? -50.021 63.513 65.283 1.0 47.85 1 F 1 ATOM 9 C CE1 . TYR A ? 1 ? -51.382 65.393 63.780 1.0 53.63 1 F 1 ATOM 10 C CE2 . TYR A ? 1 ? -49.694 64.860 65.393 1.0 41.99 1 F 1 ATOM 11 C CZ . TYR A ? 1 ? -50.379 65.793 64.643 1.0 44.14 1 F 1 ATOM 12 O OH . TYR A ? 1 ? -50.060 67.131 64.732 1.0 48.78 1 F 1 ATOM 13 N N . GLN A ? 2 ? -48.387 60.825 62.678 1.0 53.68 2 F 1 ATOM 14 C CA . GLN A ? 2 ? -47.019 60.363 62.784 1.0 53.08 2 F 1 ATOM 15 C C . GLN A ? 2 ? -46.141 61.290 63.625 1.0 48.86 2 F 1 ATOM 16 O O . GLN A ? 2 ? -46.285 62.514 63.598 1.0 55.61 2 F 1 ATOM 17 C CB . GLN A ? 2 ? -46.438 60.205 61.377 1.0 61.31 2 F 1 ATOM 18 C CG . GLN A ? 2 ? -44.943 60.019 61.333 1.0 67.04 2 F 1 ATOM 19 C CD . GLN A ? 2 ? -44.448 59.562 59.982 1.0 67.36 2 F 1 ATOM 20 N NE2 . GLN A ? 2 ? -43.269 58.948 59.968 1.0 70.42 2 F 1 ATOM 21 O OE1 . GLN A ? 2 ? -45.110 59.759 58.958 1.0 61.39 2 F 1 ATOM 22 N N . LEU A ? 3 ? -45.237 60.688 64.384 1.0 46.65 3 F 1 ATOM 23 C CA . LEU A ? 3 ? -44.228 61.421 65.139 1.0 40.36 3 F 1 ATOM 24 C C . LEU A ? 3 ? -43.257 62.095 64.187 1.0 37.49 3 F 1 ATOM 25 O O . LEU A ? 3 ? -43.031 61.578 63.106 1.0 43.14 3 F 1 ATOM 26 C CB . LEU A ? 3 ? -43.490 60.464 66.066 1.0 43.84 3 F 1 ATOM 27 C CG . LEU A ? 3 ? -42.151 60.914 66.623 1.0 45.15 3 F 1 ATOM 28 C CD1 . LEU A ? 3 ? -42.372 61.808 67.839 1.0 53.62 3 F 1 ATOM 29 C CD2 . LEU A ? 3 ? -41.340 59.701 66.983 1.0 45.33 3 F 1 ATOM 30 N N . GLU A ? 4 ? -42.714 63.252 64.564 1.0 50.4 4 F 1 ATOM 31 C CA . GLU A ? 4 ? -41.702 63.951 63.753 1.0 50.36 4 F 1 ATOM 32 C C . GLU A ? 4 ? -40.413 64.101 64.540 1.0 48.93 4 F 1 ATOM 33 O O . GLU A ? 4 ? -40.372 64.801 65.552 1.0 45.87 4 F 1 ATOM 34 C CB . GLU A ? 4 ? -42.183 65.332 63.308 1.0 48.55 4 F 1 ATOM 35 C CG . GLU A ? 4 ? -43.417 65.349 62.385 1.0 46.78 4 F 1 ATOM 36 C CD . GLU A ? 4 ? -43.682 66.750 61.822 1.0 50.71 4 F 1 ATOM 37 O OE1 . GLU A ? 4 ? -42.871 67.253 61.005 1.0 39.14 4 F 1 ATOM 38 O OE2 . GLU A ? 4 ? -44.693 67.356 62.223 1.0 60.17 4 F 1 ATOM 39 N N . ASN A ? 5 ? -39.359 63.448 64.073 1.0 49.45 5 F 1 ATOM 40 C CA . ASN A ? 5 ? -38.143 63.367 64.860 1.0 48.92 5 F 1 ATOM 41 C C . ASN A ? 5 ? -37.386 64.697 64.991 1.0 44.76 5 F 1 ATOM 42 O O . ASN A ? 5 ? -37.369 65.530 64.089 1.0 40.91 5 F 1 ATOM 43 C CB . ASN A ? 5 ? -37.226 62.283 64.284 1.0 47.09 5 F 1 ATOM 44 C CG . ASN A ? 5 ? -37.776 60.877 64.508 1.0 48.04 5 F 1 ATOM 45 N ND2 . ASN A ? 5 ? -38.457 60.684 65.628 1.0 52.2 5 F 1 ATOM 46 O OD1 . ASN A ? 5 ? -37.599 59.984 63.684 1.0 56.4 5 F 1 ATOM 47 N N . TYR A ? 6 ? -36.761 64.867 66.148 1.0 44.06 6 F 1 ATOM 48 C CA . TYR A ? 6 ? -36.025 66.070 66.487 1.0 46.51 6 F 1 ATOM 49 C C . TYR A ? 6 ? -34.544 65.839 66.133 1.0 49.94 6 F 1 ATOM 50 O O . TYR A ? 6 ? -34.211 65.715 64.954 1.0 42.03 6 F 1 ATOM 51 C CB . TYR A ? 6 ? -36.256 66.400 67.979 1.0 45.68 6 F 1 ATOM 52 C CG . TYR A ? 6 ? -35.582 67.638 68.525 1.0 66.6 6 F 1 ATOM 53 C CD1 . TYR A ? 6 ? -35.574 68.832 67.814 1.0 77.5 6 F 1 ATOM 54 C CD2 . TYR A ? 6 ? -34.977 67.619 69.780 1.0 78.54 6 F 1 ATOM 55 C CE1 . TYR A ? 6 ? -34.962 69.978 68.327 1.0 78.52 6 F 1 ATOM 56 C CE2 . TYR A ? 6 ? -34.367 68.757 70.302 1.0 83.1 6 F 1 ATOM 57 C CZ . TYR A ? 6 ? -34.361 69.930 69.569 1.0 80.71 6 F 1 ATOM 58 O OH . TYR A ? 6 ? -33.755 71.056 70.082 1.0 82.48 6 F 1 ATOM 59 N N . CYS A ? 7 ? -33.680 65.748 67.145 1.0 56.02 7 F 1 ATOM 60 C CA . CYS A ? 7 ? -32.233 65.591 66.956 1.0 59.46 7 F 1 ATOM 61 C C . CYS A ? 7 ? -31.851 64.304 66.245 1.0 54.3 7 F 1 ATOM 62 O O . CYS A ? 7 ? -32.232 63.213 66.662 1.0 60.24 7 F 1 ATOM 63 C CB . CYS A ? 7 ? -31.504 65.637 68.309 1.0 71.8 7 F 1 ATOM 64 S SG . CYS A ? 7 ? -31.423 67.264 69.095 1.0 75.71 7 F 1 ATOM 65 N N . GLY A ? 8 ? -31.060 64.434 65.191 1.0 45.37 8 F 1 ATOM 66 C CA . GLY A ? 8 ? -30.635 63.290 64.413 1.0 44.67 8 F 1 ATOM 67 C C . GLY A ? 8 ? -29.615 62.435 65.122 1.0 61.21 8 F 1 ATOM 68 O O . GLY A ? 8 ? -29.066 62.826 66.159 1.0 74.83 8 F 1 ATOM 69 N N . LEU A ? 9 ? -29.358 61.260 64.553 1.0 68.08 9 F 1 ATOM 70 C CA . LEU A ? 9 ? -28.408 60.311 65.127 1.0 72.68 9 F 1 ATOM 71 C C . LEU A ? 9 ? -26.980 60.797 64.920 1.0 83.74 9 F 1 ATOM 72 O O . LEU A ? 9 ? -26.163 60.751 65.843 1.0 84.01 9 F 1 ATOM 73 C CB . LEU A ? 9 ? -28.588 58.916 64.511 1.0 64.89 9 F 1 ATOM 74 C CG . LEU A ? 9 ? -29.859 58.141 64.870 1.0 54.33 9 F 1 ATOM 75 C CD1 . LEU A ? 9 ? -30.024 56.925 63.991 1.0 52.9 9 F 1 ATOM 76 C CD2 . LEU A ? 9 ? -29.852 57.724 66.329 1.0 52.37 9 F 1 ATOM 77 O OXT . LEU A ? 9 ? -26.624 61.258 63.828 1.0 86.95 9 F 1 #