data_3pwj_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 . LEU A ? 1 ? -51.773 59.495 64.096 1.0 21.96 1 F 1 ATOM 2 C CA . LEU A ? 1 ? -51.123 60.781 63.703 1.0 21.63 1 F 1 ATOM 3 C C . LEU A ? 1 ? -49.642 60.723 64.007 1.0 20.18 1 F 1 ATOM 4 O O . LEU A ? 1 ? -49.251 60.378 65.127 1.0 21.46 1 F 1 ATOM 5 C CB . LEU A ? 1 ? -51.726 61.965 64.450 1.0 21.79 1 F 1 ATOM 6 C CG . LEU A ? 1 ? -51.378 63.286 63.782 1.0 23.79 1 F 1 ATOM 7 C CD1 . LEU A ? 1 ? -52.417 63.623 62.705 1.0 25.15 1 F 1 ATOM 8 C CD2 . LEU A ? 1 ? -51.345 64.394 64.800 1.0 25.1 1 F 1 ATOM 9 N N . LEU A ? 2 ? -48.824 61.046 63.016 1.0 21.96 2 F 1 ATOM 10 C CA . LEU A ? 2 ? -47.374 61.045 63.174 1.0 20.88 2 F 1 ATOM 11 C C . LEU A ? 2 ? -46.894 62.120 64.126 1.0 22.06 2 F 1 ATOM 12 O O . LEU A ? 2 ? -47.554 63.156 64.316 1.0 23.35 2 F 1 ATOM 13 C CB . LEU A ? 2 ? -46.724 61.420 61.818 1.0 19.73 2 F 1 ATOM 14 C CG . LEU A ? 2 ? -46.728 60.318 60.779 1.0 20.43 2 F 1 ATOM 15 C CD1 . LEU A ? 2 ? -46.331 60.904 59.483 1.0 20.51 2 F 1 ATOM 16 C CD2 . LEU A ? 2 ? -45.769 59.227 61.209 1.0 20.7 2 F 1 ATOM 17 N N A TYR A ? 3 ? -45.720 61.938 64.716 0.5 22.31 3 F 1 ATOM 18 N N B TYR A ? 3 ? -45.701 61.880 64.662 0.5 21.58 3 F 1 ATOM 19 C CA A TYR A ? 3 ? -45.187 63.104 65.406 0.5 24.72 3 F 1 ATOM 20 C CA B TYR A ? 3 ? -44.942 62.866 65.418 0.5 23.73 3 F 1 ATOM 21 C C A TYR A ? 3 ? -44.535 64.039 64.411 0.5 26.91 3 F 1 ATOM 22 C C B TYR A ? 3 ? -44.377 63.889 64.421 0.5 26.25 3 F 1 ATOM 23 O O A TYR A ? 3 ? -44.219 63.669 63.285 0.5 26.56 3 F 1 ATOM 24 O O B TYR A ? 3 ? -43.923 63.502 63.350 0.5 26.29 3 F 1 ATOM 25 C CB A TYR A ? 3 ? -44.305 62.777 66.604 0.5 26.07 3 F 1 ATOM 26 C CB B TYR A ? 3 ? -43.831 62.108 66.134 0.5 23.51 3 F 1 ATOM 27 C CG A TYR A ? 3 ? -42.996 62.145 66.317 0.5 26.65 3 F 1 ATOM 28 C CG B TYR A ? 3 ? -42.915 62.925 66.982 0.5 23.54 3 F 1 ATOM 29 C CD1 A TYR A ? 3 ? -42.198 62.583 65.272 0.5 28.23 3 F 1 ATOM 30 C CD1 B TYR A ? 3 ? -43.412 63.815 67.921 0.5 24.87 3 F 1 ATOM 31 C CD2 A TYR A ? 3 ? -42.531 61.125 67.115 0.5 27.8 3 F 1 ATOM 32 C CD2 B TYR A ? 3 ? -41.556 62.786 66.860 0.5 24.73 3 F 1 ATOM 33 C CE1 A TYR A ? 3 ? -40.963 61.985 65.022 0.5 27.69 3 F 1 ATOM 34 C CE1 B TYR A ? 3 ? -42.553 64.550 68.724 0.5 25.83 3 F 1 ATOM 35 C CE2 A TYR A ? 3 ? -41.306 60.541 66.883 0.5 27.13 3 F 1 ATOM 36 C CE2 B TYR A ? 3 ? -40.700 63.508 67.635 0.5 25.51 3 F 1 ATOM 37 C CZ A TYR A ? 3 ? -40.527 60.954 65.833 0.5 27.34 3 F 1 ATOM 38 C CZ B TYR A ? 3 ? -41.199 64.380 68.564 0.5 26.78 3 F 1 ATOM 39 O OH A TYR A ? 3 ? -39.288 60.337 65.582 0.5 26.68 3 F 1 ATOM 40 O OH B TYR A ? 3 ? -40.292 65.078 69.318 0.5 27.04 3 F 1 ATOM 41 N N A GLY A ? 4 ? -44.391 65.280 64.814 0.5 28.5 4 F 1 ATOM 42 N N B GLY A ? 4 ? -44.410 65.177 64.773 0.5 28.06 4 F 1 ATOM 43 C CA . GLY A ? 4 ? -44.116 66.279 63.825 1.0 31.87 4 F 1 ATOM 44 C C . GLY A ? 4 ? -42.702 66.810 63.896 1.0 34.7 4 F 1 ATOM 45 O O . GLY A ? 4 ? -42.255 67.534 63.002 1.0 39.07 4 F 1 ATOM 46 N N . PHE A ? 5 ? -41.997 66.477 64.964 1.0 34.28 5 F 1 ATOM 47 C CA . PHE A ? 5 ? -40.657 67.034 65.141 1.0 33.76 5 F 1 ATOM 48 C C . PHE A ? 5 ? -39.610 66.111 64.509 1.0 34.3 5 F 1 ATOM 49 O O . PHE A ? 5 ? -39.853 64.929 64.291 1.0 33.34 5 F 1 ATOM 50 C CB A PHE A ? 5 ? -40.359 67.209 66.642 0.5 32.29 5 F 1 ATOM 51 C CB B PHE A ? 5 ? -40.395 67.438 66.593 0.5 34.07 5 F 1 ATOM 52 C CG A PHE A ? 5 ? -40.856 66.061 67.506 0.5 29.4 5 F 1 ATOM 53 C CG B PHE A ? 5 ? -41.281 68.566 67.066 0.5 34.68 5 F 1 ATOM 54 C CD1 A PHE A ? 5 ? -42.099 66.131 68.129 0.5 28.61 5 F 1 ATOM 55 C CD1 B PHE A ? 5 ? -40.909 69.888 66.868 0.5 35.91 5 F 1 ATOM 56 C CD2 A PHE A ? 5 ? -40.094 64.916 67.686 0.5 28.99 5 F 1 ATOM 57 C CD2 B PHE A ? 5 ? -42.497 68.308 67.692 0.5 34.28 5 F 1 ATOM 58 C CE1 A PHE A ? 5 ? -42.575 65.100 68.908 0.5 27.74 5 F 1 ATOM 59 C CE1 B PHE A ? 5 ? -41.723 70.923 67.300 0.5 37.62 5 F 1 ATOM 60 C CE2 A PHE A ? 5 ? -40.572 63.872 68.462 0.5 28.53 5 F 1 ATOM 61 C CE2 B PHE A ? 5 ? -43.312 69.340 68.113 0.5 35.15 5 F 1 ATOM 62 C CZ A PHE A ? 5 ? -41.817 63.972 69.078 0.5 27.37 5 F 1 ATOM 63 C CZ B PHE A ? 5 ? -42.924 70.644 67.923 0.5 36.26 5 F 1 ATOM 64 N N . VAL A ? 6 ? -38.463 66.658 64.134 1.0 37.12 6 F 1 ATOM 65 C CA . VAL A ? 6 ? -37.471 65.805 63.446 1.0 38.0 6 F 1 ATOM 66 C C . VAL A ? 6 ? -36.273 65.651 64.360 1.0 38.46 6 F 1 ATOM 67 O O . VAL A ? 6 ? -35.976 66.561 65.133 1.0 39.58 6 F 1 ATOM 68 C CB . VAL A ? 6 ? -37.073 66.381 62.041 1.0 39.12 6 F 1 ATOM 69 C CG1 . VAL A ? 6 ? -38.312 66.497 61.128 1.0 39.12 6 F 1 ATOM 70 C CG2 . VAL A ? 6 ? -36.355 67.742 62.139 1.0 40.05 6 F 1 ATOM 71 N N . ASN A ? 7 ? -35.610 64.499 64.319 1.0 37.7 7 F 1 ATOM 72 C CA . ASN A ? 7 ? -34.355 64.354 65.037 1.0 38.92 7 F 1 ATOM 73 C C . ASN A ? 7 ? -33.385 63.569 64.163 1.0 37.58 7 F 1 ATOM 74 O O . ASN A ? 7 ? -33.815 62.765 63.333 1.0 38.29 7 F 1 ATOM 75 C CB . ASN A ? 7 ? -34.540 63.765 66.467 1.0 41.55 7 F 1 ATOM 76 C CG . ASN A ? 7 ? -35.130 62.295 66.501 1.0 43.38 7 F 1 ATOM 77 N ND2 . ASN A ? 7 ? -35.315 61.774 67.707 1.0 46.03 7 F 1 ATOM 78 O OD1 . ASN A ? 7 ? -35.418 61.680 65.501 1.0 42.55 7 F 1 ATOM 79 N N . TYR A ? 8 ? -32.105 63.878 64.243 1.0 34.52 8 F 1 ATOM 80 C CA . TYR A ? 8 ? -31.124 63.131 63.472 1.0 32.5 8 F 1 ATOM 81 C C . TYR A ? 8 ? -30.279 62.401 64.475 1.0 31.28 8 F 1 ATOM 82 O O . TYR A ? 8 ? -29.972 62.969 65.533 1.0 31.67 8 F 1 ATOM 83 C CB . TYR A ? 8 ? -30.233 64.087 62.691 1.0 34.62 8 F 1 ATOM 84 C CG . TYR A ? 8 ? -30.942 64.919 61.656 1.0 34.5 8 F 1 ATOM 85 C CD1 . TYR A ? 8 ? -31.451 66.180 61.963 1.0 37.04 8 F 1 ATOM 86 C CD2 . TYR A ? 8 ? -31.054 64.474 60.355 1.0 34.98 8 F 1 ATOM 87 C CE1 . TYR A ? 8 ? -32.079 66.960 61.005 1.0 37.87 8 F 1 ATOM 88 C CE2 . TYR A ? 8 ? -31.675 65.252 59.377 1.0 36.5 8 F 1 ATOM 89 C CZ . TYR A ? 8 ? -32.195 66.487 59.711 1.0 37.65 8 F 1 ATOM 90 O OH . TYR A ? 8 ? -32.817 67.227 58.736 1.0 38.64 8 F 1 ATOM 91 N N . VAL A ? 9 ? -29.878 61.163 64.159 1.0 27.3 9 F 1 ATOM 92 C CA . VAL A ? 9 ? -28.879 60.504 64.995 1.0 26.61 9 F 1 ATOM 93 C C . VAL A ? 9 ? -27.484 61.153 64.977 1.0 26.54 9 F 1 ATOM 94 O O . VAL A ? 9 ? -27.172 62.014 64.132 1.0 27.77 9 F 1 ATOM 95 C CB . VAL A ? 9 ? -28.717 59.005 64.680 1.0 26.24 9 F 1 ATOM 96 C CG1 . VAL A ? 9 ? -30.029 58.259 64.877 1.0 26.36 9 F 1 ATOM 97 C CG2 . VAL A ? 9 ? -28.170 58.824 63.265 1.0 26.39 9 F 1 ATOM 98 O OXT . VAL A ? 9 ? -26.634 60.815 65.830 1.0 28.19 9 F 1 #