data_4qrs_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 . GLU A ? 1 ? -51.266 59.184 63.521 1.0 16.48 1 C 1 ATOM 2 C CA . GLU A ? 1 ? -50.607 60.473 63.308 1.0 14.01 1 C 1 ATOM 3 C C . GLU A ? 1 ? -49.097 60.300 63.463 1.0 12.33 1 C 1 ATOM 4 O O . GLU A ? 1 ? -48.632 59.783 64.479 1.0 12.61 1 C 1 ATOM 5 C CB . GLU A ? 1 ? -51.140 61.494 64.321 1.0 15.67 1 C 1 ATOM 6 C CG . GLU A ? 1 ? -50.469 62.857 64.252 1.0 16.34 1 C 1 ATOM 7 C CD . GLU A ? 1 ? -51.036 63.783 63.185 1.0 19.08 1 C 1 ATOM 8 O OE1 . GLU A ? 1 ? -51.938 63.372 62.420 1.0 16.48 1 C 1 ATOM 9 O OE2 . GLU A ? 1 ? -50.571 64.943 63.121 1.0 22.92 1 C 1 ATOM 10 N N A LEU A ? 2 ? -48.337 60.724 62.457 0.73 12.78 2 C 1 ATOM 11 N N B LEU A ? 2 ? -48.337 60.718 62.454 0.27 12.8 2 C 1 ATOM 12 C CA A LEU A ? 2 ? -46.887 60.563 62.485 0.73 12.71 2 C 1 ATOM 13 C CA B LEU A ? 2 ? -46.884 60.559 62.472 0.27 12.72 2 C 1 ATOM 14 C C A LEU A ? 2 ? -46.242 61.395 63.579 0.73 12.72 2 C 1 ATOM 15 C C B LEU A ? 2 ? -46.216 61.415 63.538 0.27 12.74 2 C 1 ATOM 16 O O A LEU A ? 2 ? -46.754 62.446 63.957 0.73 15.32 2 C 1 ATOM 17 O O B LEU A ? 2 ? -46.686 62.504 63.860 0.27 15.31 2 C 1 ATOM 18 C CB A LEU A ? 2 ? -46.279 60.974 61.148 0.73 12.68 2 C 1 ATOM 19 C CB B LEU A ? 2 ? -46.276 60.903 61.109 0.27 12.73 2 C 1 ATOM 20 C CG A LEU A ? 2 ? -46.566 60.046 59.974 0.73 11.23 2 C 1 ATOM 21 C CG B LEU A ? 2 ? -46.163 59.788 60.068 0.27 12.79 2 C 1 ATOM 22 C CD1 A LEU A ? 2 ? -46.355 60.786 58.662 0.73 13.8 2 C 1 ATOM 23 C CD1 B LEU A ? 2 ? -47.537 59.274 59.684 0.27 11.56 2 C 1 ATOM 24 C CD2 A LEU A ? 2 ? -45.686 58.801 60.072 0.73 13.82 2 C 1 ATOM 25 C CD2 B LEU A ? 2 ? -45.406 60.268 58.835 0.27 13.84 2 C 1 ATOM 26 N N . LYS A ? 3 ? -45.111 60.911 64.080 1.0 11.15 3 C 1 ATOM 27 C CA . LYS A ? 3 ? -44.272 61.689 64.977 1.0 11.29 3 C 1 ATOM 28 C C . LYS A ? 3 ? -43.195 62.333 64.128 1.0 13.41 3 C 1 ATOM 29 O O . LYS A ? 3 ? -42.628 61.690 63.249 1.0 14.42 3 C 1 ATOM 30 C CB . LYS A ? 3 ? -43.608 60.778 66.005 1.0 11.22 3 C 1 ATOM 31 C CG . LYS A ? 3 ? -42.720 61.528 66.999 1.0 13.43 3 C 1 ATOM 32 C CD . LYS A ? 3 ? -42.176 60.576 68.032 1.0 14.98 3 C 1 ATOM 33 C CE . LYS A ? 3 ? -41.127 59.661 67.449 1.0 16.41 3 C 1 ATOM 34 N NZ . LYS A ? 3 ? -39.832 60.395 67.383 1.0 22.61 3 C 1 ATOM 35 N N . ARG A ? 4 ? -42.918 63.603 64.389 1.0 13.86 4 C 1 ATOM 36 C CA . ARG A ? 4 ? -41.841 64.293 63.700 1.0 14.96 4 C 1 ATOM 37 C C . ARG A ? 4 ? -40.479 63.822 64.197 1.0 16.56 4 C 1 ATOM 38 O O . ARG A ? 4 ? -40.243 63.718 65.409 1.0 20.69 4 C 1 ATOM 39 C CB . ARG A ? 4 ? -41.981 65.805 63.899 1.0 23.52 4 C 1 ATOM 40 C CG . ARG A ? 4 ? -43.120 66.419 63.099 1.0 28.1 4 C 1 ATOM 41 C CD . ARG A ? 4 ? -43.395 67.865 63.513 1.0 44.24 4 C 1 ATOM 42 N NE . ARG A ? 4 ? -44.456 68.461 62.701 1.0 47.27 4 C 1 ATOM 43 C CZ . ARG A ? 4 ? -45.743 68.463 63.035 1.0 45.33 4 C 1 ATOM 44 N NH1 . ARG A ? 4 ? -46.141 67.904 64.172 1.0 46.6 4 C 1 ATOM 45 N NH2 . ARG A ? 4 ? -46.637 69.025 62.227 1.0 40.74 4 C 1 ATOM 46 N N . LYS A ? 5 ? -39.608 63.502 63.249 1.0 15.51 5 C 1 ATOM 47 C CA . LYS A ? 5 ? -38.209 63.229 63.516 1.0 14.27 5 C 1 ATOM 48 C C . LYS A ? 5 ? -37.445 64.439 62.970 1.0 14.5 5 C 1 ATOM 49 O O . LYS A ? 5 ? -37.393 64.641 61.756 1.0 18.27 5 C 1 ATOM 50 C CB . LYS A ? 5 ? -37.777 61.952 62.799 1.0 16.44 5 C 1 ATOM 51 C CG . LYS A ? 5 ? -38.444 60.668 63.309 1.0 14.03 5 C 1 ATOM 52 C CD . LYS A ? 5 ? -38.073 59.482 62.414 1.0 18.79 5 C 1 ATOM 53 C CE . LYS A ? 5 ? -38.536 58.132 62.986 1.0 19.73 5 C 1 ATOM 54 N NZ . LYS A ? 5 ? -38.169 56.972 62.082 1.0 17.95 5 C 1 ATOM 55 N N . MET A ? 6 ? -36.857 65.233 63.863 1.0 16.36 6 C 1 ATOM 56 C CA A MET A ? 6 ? -36.246 66.495 63.460 0.58 19.2 6 C 1 ATOM 57 C CA B MET A ? 6 ? -36.255 66.513 63.497 0.42 19.22 6 C 1 ATOM 58 C C . MET A ? 6 ? -34.733 66.533 63.651 1.0 17.06 6 C 1 ATOM 59 O O . MET A ? 6 ? -34.025 67.188 62.882 1.0 21.74 6 C 1 ATOM 60 C CB A MET A ? 6 ? -36.900 67.662 64.207 0.58 22.02 6 C 1 ATOM 61 C CB B MET A ? 6 ? -36.851 67.626 64.364 0.42 21.82 6 C 1 ATOM 62 C CG A MET A ? 6 ? -38.384 67.826 63.909 0.58 26.26 6 C 1 ATOM 63 C CG B MET A ? 6 ? -38.372 67.658 64.396 0.42 25.28 6 C 1 ATOM 64 S SD A MET A ? 6 ? -39.144 69.210 64.781 0.58 38.75 6 C 1 ATOM 65 S SD B MET A ? 6 ? -39.098 68.030 62.787 0.42 28.76 6 C 1 ATOM 66 C CE A MET A ? 6 ? -38.710 68.816 66.474 0.58 33.97 6 C 1 ATOM 67 C CE B MET A ? 6 ? -38.293 69.585 62.409 0.42 25.01 6 C 1 ATOM 68 N N . ILE A ? 7 ? -34.232 65.827 64.659 1.0 14.7 7 C 1 ATOM 69 C CA . ILE A ? 7 ? -32.809 65.908 65.013 1.0 15.66 7 C 1 ATOM 70 C C . ILE A ? 7 ? -32.025 64.715 64.487 1.0 14.64 7 C 1 ATOM 71 O O . ILE A ? 7 ? -32.303 63.578 64.852 1.0 14.38 7 C 1 ATOM 72 C CB . ILE A ? 7 ? -32.628 66.020 66.545 1.0 16.19 7 C 1 ATOM 73 C CG1 . ILE A ? 7 ? -33.432 67.207 67.094 1.0 19.44 7 C 1 ATOM 74 C CG2 . ILE A ? 7 ? -31.158 66.170 66.897 1.0 18.43 7 C 1 ATOM 75 C CD1 . ILE A ? 7 ? -33.051 68.557 66.488 1.0 19.71 7 C 1 ATOM 76 N N . TYR A ? 8 ? -31.057 64.967 63.617 1.0 14.19 8 C 1 ATOM 77 C CA . TYR A ? 8 ? -30.251 63.882 63.073 1.0 15.92 8 C 1 ATOM 78 C C . TYR A ? 8 ? -29.579 63.079 64.186 1.0 14.93 8 C 1 ATOM 79 O O . TYR A ? 8 ? -29.159 63.625 65.219 1.0 14.71 8 C 1 ATOM 80 C CB . TYR A ? 8 ? -29.169 64.413 62.127 1.0 15.59 8 C 1 ATOM 81 C CG . TYR A ? 8 ? -29.665 65.292 61.001 1.0 21.52 8 C 1 ATOM 82 C CD1 . TYR A ? 8 ? -30.960 65.186 60.522 1.0 18.96 8 C 1 ATOM 83 C CD2 . TYR A ? 8 ? -28.828 66.232 60.416 1.0 31.68 8 C 1 ATOM 84 C CE1 . TYR A ? 8 ? -31.413 65.993 59.496 1.0 21.51 8 C 1 ATOM 85 C CE2 . TYR A ? 8 ? -29.273 67.036 59.383 1.0 35.6 8 C 1 ATOM 86 C CZ . TYR A ? 8 ? -30.568 66.909 58.930 1.0 31.24 8 C 1 ATOM 87 O OH . TYR A ? 8 ? -31.030 67.702 57.902 1.0 36.88 8 C 1 ATOM 88 N N . MET A ? 9 ? -29.461 61.779 63.962 1.0 13.49 9 C 1 ATOM 89 C CA . MET A ? 9 ? -28.768 60.905 64.893 1.0 13.81 9 C 1 ATOM 90 C C . MET A ? 9 ? -27.262 61.076 64.823 1.0 14.19 9 C 1 ATOM 91 O O . MET A ? 9 ? -26.567 60.513 65.666 1.0 13.68 9 C 1 ATOM 92 C CB . MET A ? 9 ? -29.166 59.454 64.636 1.0 14.45 9 C 1 ATOM 93 C CG . MET A ? 9 ? -30.655 59.271 64.832 1.0 12.03 9 C 1 ATOM 94 S SD . MET A ? 9 ? -31.341 57.717 64.245 1.0 15.23 9 C 1 ATOM 95 C CE . MET A ? 9 ? -31.120 56.678 65.704 1.0 15.73 9 C 1 ATOM 96 O OXT . MET A ? 9 ? -26.726 61.776 63.955 1.0 15.13 9 C 1 #