data_3kpq_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 ? -52.032 59.373 64.408 1.0 16.09 1 C 1 ATOM 2 C CA . GLU A ? 1 ? -51.281 60.570 63.939 1.0 16.0 1 C 1 ATOM 3 C C . GLU A ? 1 ? -49.816 60.535 64.319 1.0 16.07 1 C 1 ATOM 4 O O . GLU A ? 1 ? -49.460 60.265 65.475 1.0 15.78 1 C 1 ATOM 5 C CB . GLU A ? 1 ? -51.923 61.870 64.446 1.0 15.82 1 C 1 ATOM 6 C CG . GLU A ? 1 ? -52.891 62.448 63.469 1.0 17.42 1 C 1 ATOM 7 C CD . GLU A ? 1 ? -53.428 63.795 63.873 1.0 17.91 1 C 1 ATOM 8 O OE1 . GLU A ? 1 ? -52.761 64.823 63.622 1.0 19.99 1 C 1 ATOM 9 O OE2 . GLU A ? 1 ? -54.531 63.821 64.423 1.0 19.92 1 C 1 ATOM 10 N N A GLU A ? 2 ? -48.969 60.827 63.335 0.5 15.9 2 C 1 ATOM 11 N N B GLU A ? 2 ? -48.971 60.834 63.337 0.5 15.92 2 C 1 ATOM 12 C CA A GLU A ? 2 ? -47.530 60.853 63.520 0.5 16.27 2 C 1 ATOM 13 C CA B GLU A ? 2 ? -47.532 60.858 63.523 0.5 16.31 2 C 1 ATOM 14 C C A GLU A ? 2 ? -47.045 62.069 64.295 0.5 17.13 2 C 1 ATOM 15 C C B GLU A ? 2 ? -47.048 62.071 64.303 0.5 17.15 2 C 1 ATOM 16 O O A GLU A ? 2 ? -47.730 63.093 64.360 0.5 16.97 2 C 1 ATOM 17 O O B GLU A ? 2 ? -47.735 63.091 64.377 0.5 17.01 2 C 1 ATOM 18 C CB A GLU A ? 2 ? -46.816 60.807 62.171 0.5 15.93 2 C 1 ATOM 19 C CB B GLU A ? 2 ? -46.823 60.819 62.174 0.5 15.99 2 C 1 ATOM 20 C CG A GLU A ? 2 ? -46.791 59.439 61.527 0.5 14.87 2 C 1 ATOM 21 C CG B GLU A ? 2 ? -46.825 59.458 61.520 0.5 15.01 2 C 1 ATOM 22 C CD A GLU A ? 2 ? -45.437 59.120 60.929 0.5 13.52 2 C 1 ATOM 23 C CD B GLU A ? 2 ? -45.479 59.114 60.929 0.5 13.86 2 C 1 ATOM 24 O OE1 A GLU A ? 2 ? -44.488 58.855 61.701 0.5 14.1 2 C 1 ATOM 25 O OE1 B GLU A ? 2 ? -45.377 59.039 59.692 0.5 15.09 2 C 1 ATOM 26 O OE2 A GLU A ? 2 ? -45.312 59.141 59.690 0.5 14.48 2 C 1 ATOM 27 O OE2 B GLU A ? 2 ? -44.508 58.943 61.702 0.5 14.79 2 C 1 ATOM 28 N N . TYR A ? 3 ? -45.859 61.926 64.880 1.0 18.04 3 C 1 ATOM 29 C CA . TYR A ? 3 ? -45.132 63.022 65.521 1.0 19.79 3 C 1 ATOM 30 C C . TYR A ? 3 ? -44.317 63.796 64.470 1.0 20.67 3 C 1 ATOM 31 O O . TYR A ? 3 ? -43.423 63.248 63.849 1.0 19.83 3 C 1 ATOM 32 C CB . TYR A ? 3 ? -44.207 62.458 66.624 1.0 20.14 3 C 1 ATOM 33 C CG . TYR A ? 3 ? -43.572 63.504 67.521 1.0 21.09 3 C 1 ATOM 34 C CD1 . TYR A ? 3 ? -42.366 63.255 68.195 1.0 20.2 3 C 1 ATOM 35 C CD2 . TYR A ? 3 ? -44.173 64.746 67.688 1.0 22.56 3 C 1 ATOM 36 C CE1 . TYR A ? 3 ? -41.785 64.228 69.016 1.0 22.31 3 C 1 ATOM 37 C CE2 . TYR A ? 3 ? -43.612 65.718 68.489 1.0 23.37 3 C 1 ATOM 38 C CZ . TYR A ? 3 ? -42.425 65.463 69.153 1.0 22.56 3 C 1 ATOM 39 O OH . TYR A ? 3 ? -41.920 66.470 69.939 1.0 22.62 3 C 1 ATOM 40 N N . LEU A ? 4 ? -44.656 65.077 64.306 1.0 22.53 4 C 1 ATOM 41 C CA . LEU A ? 4 ? -43.988 66.054 63.436 1.0 24.17 4 C 1 ATOM 42 C C . LEU A ? 4 ? -42.479 66.035 63.521 1.0 25.06 4 C 1 ATOM 43 O O . LEU A ? 4 ? -41.790 66.151 62.516 1.0 25.37 4 C 1 ATOM 44 C CB . LEU A ? 4 ? -44.335 67.467 63.921 1.0 24.4 4 C 1 ATOM 45 C CG . LEU A ? 4 ? -45.538 68.344 63.642 1.0 25.3 4 C 1 ATOM 46 C CD1 . LEU A ? 4 ? -46.822 67.734 64.106 1.0 25.98 4 C 1 ATOM 47 C CD2 . LEU A ? 4 ? -45.285 69.662 64.377 1.0 24.81 4 C 1 ATOM 48 N N . LYS A ? 5 ? -41.990 65.949 64.754 1.0 26.41 5 C 1 ATOM 49 C CA . LYS A ? 5 ? -40.639 66.317 65.109 1.0 27.61 5 C 1 ATOM 50 C C . LYS A ? 5 ? -39.601 65.267 64.796 1.0 28.05 5 C 1 ATOM 51 O O . LYS A ? 5 ? -39.803 64.078 65.035 1.0 28.47 5 C 1 ATOM 52 C CB . LYS A ? 5 ? -40.580 66.671 66.596 1.0 28.02 5 C 1 ATOM 53 C CG . LYS A ? 5 ? -40.781 68.137 66.914 1.0 29.59 5 C 1 ATOM 54 C CD . LYS A ? 5 ? -39.533 68.961 66.582 1.0 31.63 5 C 1 ATOM 55 C CE . LYS A ? 5 ? -39.497 70.259 67.392 1.0 33.6 5 C 1 ATOM 56 N NZ . LYS A ? 5 ? -40.850 70.890 67.544 1.0 34.81 5 C 1 ATOM 57 N N . ALA A ? 6 ? -38.470 65.735 64.286 1.0 28.51 6 C 1 ATOM 58 C CA . ALA A ? 6 ? -37.401 64.860 63.835 1.0 28.71 6 C 1 ATOM 59 C C . ALA A ? 6 ? -36.003 65.440 64.074 1.0 28.48 6 C 1 ATOM 60 O O . ALA A ? 6 ? -35.589 66.425 63.440 1.0 29.5 6 C 1 ATOM 61 C CB . ALA A ? 6 ? -37.596 64.521 62.385 1.0 28.82 6 C 1 ATOM 62 N N . TRP A ? 7 ? -35.288 64.825 65.011 1.0 27.32 7 C 1 ATOM 63 C CA . TRP A ? 7 ? -33.890 65.148 65.230 1.0 26.04 7 C 1 ATOM 64 C C . TRP A ? 7 ? -33.077 63.996 64.659 1.0 25.1 7 C 1 ATOM 65 O O . TRP A ? 7 ? -33.534 62.848 64.631 1.0 24.92 7 C 1 ATOM 66 C CB . TRP A ? 7 ? -33.572 65.332 66.709 1.0 25.95 7 C 1 ATOM 67 C CG . TRP A ? 7 ? -34.452 66.294 67.447 1.0 25.95 7 C 1 ATOM 68 C CD1 . TRP A ? 7 ? -34.124 67.557 67.864 1.0 25.96 7 C 1 ATOM 69 C CD2 . TRP A ? 7 ? -35.795 66.059 67.900 1.0 25.4 7 C 1 ATOM 70 C CE2 . TRP A ? 7 ? -36.218 67.227 68.575 1.0 25.85 7 C 1 ATOM 71 C CE3 . TRP A ? 7 ? -36.682 64.977 67.801 1.0 24.62 7 C 1 ATOM 72 N NE1 . TRP A ? 7 ? -35.180 68.120 68.546 1.0 25.49 7 C 1 ATOM 73 C CZ2 . TRP A ? 7 ? -37.492 67.341 69.142 1.0 26.47 7 C 1 ATOM 74 C CZ3 . TRP A ? 7 ? -37.949 65.097 68.367 1.0 25.8 7 C 1 ATOM 75 C CH2 . TRP A ? 7 ? -38.337 66.268 69.030 1.0 25.55 7 C 1 ATOM 76 N N . THR A ? 8 ? -31.874 64.308 64.213 1.0 23.9 8 C 1 ATOM 77 C CA . THR A ? 8 ? -31.062 63.346 63.499 1.0 22.83 8 C 1 ATOM 78 C C . THR A ? 8 ? -30.079 62.622 64.414 1.0 21.86 8 C 1 ATOM 79 O O . THR A ? 8 ? -29.884 63.019 65.567 1.0 21.49 8 C 1 ATOM 80 C CB . THR A ? 8 ? -30.326 64.023 62.331 1.0 23.27 8 C 1 ATOM 81 C CG2 . THR A ? 8 ? -31.306 64.350 61.221 1.0 23.35 8 C 1 ATOM 82 O OG1 . THR A ? 8 ? -29.716 65.232 62.788 1.0 23.83 8 C 1 ATOM 83 N N . PHE A ? 9 ? -29.469 61.555 63.891 1.0 20.37 9 C 1 ATOM 84 C CA . PHE A ? 9 ? -28.512 60.737 64.629 1.0 18.61 9 C 1 ATOM 85 C C . PHE A ? 9 ? -27.247 61.523 64.986 1.0 18.45 9 C 1 ATOM 86 O O . PHE A ? 9 ? -26.595 61.177 65.967 1.0 17.33 9 C 1 ATOM 87 C CB . PHE A ? 9 ? -28.131 59.487 63.817 1.0 18.44 9 C 1 ATOM 88 C CG . PHE A ? 9 ? -29.138 58.354 63.884 1.0 17.22 9 C 1 ATOM 89 C CD1 . PHE A ? 9 ? -30.464 58.568 64.291 1.0 17.73 9 C 1 ATOM 90 C CD2 . PHE A ? 9 ? -28.759 57.063 63.500 1.0 15.85 9 C 1 ATOM 91 C CE1 . PHE A ? 9 ? -31.387 57.514 64.338 1.0 16.96 9 C 1 ATOM 92 C CE2 . PHE A ? 9 ? -29.684 56.003 63.538 1.0 14.49 9 C 1 ATOM 93 C CZ . PHE A ? 9 ? -30.990 56.230 63.960 1.0 16.57 9 C 1 ATOM 94 O OXT . PHE A ? 9 ? -26.845 62.500 64.316 1.0 17.88 9 C 1 #