data_0 # _entry.id 0 # _struct_asym.id A _struct_asym.entity_id 0 # _entity_poly.entity_id 0 _entity_poly.type polypeptide(L) _entity_poly.pdbx_strand_id A # _entity.id 0 _entity.type polymer # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id 0 1 MET 0 2 TYR 0 3 ASP 0 4 THR 0 5 LEU 0 6 TRP 0 7 CYS 0 8 LYS 0 9 ARG 0 10 GLY 0 11 ARG 0 12 PHE 0 13 PRO 0 14 LEU 0 15 LEU 0 16 VAL 0 17 VAL 0 18 LEU 0 19 GLY 0 20 TYR 0 21 ASN 0 22 VAL 0 23 CYS 0 24 LEU 0 25 GLN 0 26 GLU 0 27 MET 0 28 ILE 0 29 ASN 0 30 LEU 0 31 MET 0 32 THR 0 33 GLY 0 34 GLU 0 35 ARG 0 36 HIS 0 37 ALA 0 38 GLU 0 39 LEU 0 40 PHE 0 41 ALA 0 42 THR 0 43 ASP 0 44 TRP 0 45 SER 0 46 SER 0 47 PHE 0 48 ILE 0 49 LEU 0 50 MET 0 51 MET 0 52 VAL 0 53 LEU # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # 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 . MET A 0 1 . 19.278 15.201 -29.230 1.00 46.56 1 A 1 ATOM 2 C CA . MET A 0 1 . 18.828 13.961 -28.557 1.00 46.56 1 A 1 ATOM 3 C C . MET A 0 1 . 18.446 14.287 -27.112 1.00 46.56 1 A 1 ATOM 4 C CB . MET A 0 1 . 19.937 12.886 -28.597 1.00 46.56 1 A 1 ATOM 5 O O . MET A 0 1 . 19.233 14.031 -26.214 1.00 46.56 1 A 1 ATOM 6 C CG . MET A 0 1 . 19.949 12.035 -29.867 1.00 46.56 1 A 1 ATOM 7 S SD . MET A 0 1 . 21.411 10.966 -29.922 1.00 46.56 1 A 1 ATOM 8 C CE . MET A 0 1 . 20.790 9.558 -30.881 1.00 46.56 1 A 1 ATOM 9 N N . TYR A 0 2 . 17.283 14.908 -26.881 1.00 44.49 2 A 1 ATOM 10 C CA . TYR A 0 2 . 16.858 15.336 -25.532 1.00 44.49 2 A 1 ATOM 11 C C . TYR A 0 2 . 15.468 14.810 -25.113 1.00 44.49 2 A 1 ATOM 12 C CB . TYR A 0 2 . 16.990 16.867 -25.404 1.00 44.49 2 A 1 ATOM 13 O O . TYR A 0 2 . 15.023 15.089 -24.006 1.00 44.49 2 A 1 ATOM 14 C CG . TYR A 0 2 . 18.429 17.360 -25.350 1.00 44.49 2 A 1 ATOM 15 C CD1 . TYR A 0 2 . 19.174 17.195 -24.165 1.00 44.49 2 A 1 ATOM 16 C CD2 . TYR A 0 2 . 19.019 17.990 -26.465 1.00 44.49 2 A 1 ATOM 17 C CE1 . TYR A 0 2 . 20.507 17.645 -24.091 1.00 44.49 2 A 1 ATOM 18 C CE2 . TYR A 0 2 . 20.357 18.430 -26.399 1.00 44.49 2 A 1 ATOM 19 O OH . TYR A 0 2 . 22.387 18.695 -25.159 1.00 44.49 2 A 1 ATOM 20 C CZ . TYR A 0 2 . 21.102 18.260 -25.213 1.00 44.49 2 A 1 ATOM 21 N N . ASP A 0 3 . 14.816 13.986 -25.941 1.00 50.05 3 A 1 ATOM 22 C CA . ASP A 0 3 . 13.396 13.631 -25.770 1.00 50.05 3 A 1 ATOM 23 C C . ASP A 0 3 . 13.115 12.413 -24.868 1.00 50.05 3 A 1 ATOM 24 C CB . ASP A 0 3 . 12.763 13.463 -27.161 1.00 50.05 3 A 1 ATOM 25 O O . ASP A 0 3 . 12.007 12.227 -24.377 1.00 50.05 3 A 1 ATOM 26 C CG . ASP A 0 3 . 11.693 14.530 -27.365 1.00 50.05 3 A 1 ATOM 27 O OD1 . ASP A 0 3 . 10.519 14.218 -27.086 1.00 50.05 3 A 1 ATOM 28 O OD2 . ASP A 0 3 . 12.104 15.647 -27.748 1.00 50.05 3 A 1 ATOM 29 N N . THR A 0 4 . 14.108 11.575 -24.563 1.00 54.12 4 A 1 ATOM 30 C CA . THR A 0 4 . 13.871 10.299 -23.851 1.00 54.12 4 A 1 ATOM 31 C C . THR A 0 4 . 14.076 10.346 -22.334 1.00 54.12 4 A 1 ATOM 32 C CB . THR A 0 4 . 14.682 9.163 -24.492 1.00 54.12 4 A 1 ATOM 33 O O . THR A 0 4 . 13.739 9.387 -21.639 1.00 54.12 4 A 1 ATOM 34 C CG2 . THR A 0 4 . 13.956 8.603 -25.712 1.00 54.12 4 A 1 ATOM 35 O OG1 . THR A 0 4 . 15.943 9.626 -24.931 1.00 54.12 4 A 1 ATOM 36 N N . LEU A 0 5 . 14.584 11.452 -21.781 1.00 48.25 5 A 1 ATOM 37 C CA . LEU A 0 5 . 14.875 11.573 -20.342 1.00 48.25 5 A 1 ATOM 38 C C . LEU A 0 5 . 13.736 12.204 -19.527 1.00 48.25 5 A 1 ATOM 39 C CB . LEU A 0 5 . 16.225 12.297 -20.168 1.00 48.25 5 A 1 ATOM 40 O O . LEU A 0 5 . 13.598 11.901 -18.341 1.00 48.25 5 A 1 ATOM 41 C CG . LEU A 0 5 . 17.380 11.291 -19.974 1.00 48.25 5 A 1 ATOM 42 C CD1 . LEU A 0 5 . 18.677 11.809 -20.588 1.00 48.25 5 A 1 ATOM 43 C CD2 . LEU A 0 5 . 17.615 11.026 -18.484 1.00 48.25 5 A 1 ATOM 44 N N . TRP A 0 6 . 12.873 13.011 -20.148 1.00 46.79 6 A 1 ATOM 45 C CA . TRP A 0 6 . 11.726 13.621 -19.462 1.00 46.79 6 A 1 ATOM 46 C C . TRP A 0 6 . 10.599 12.614 -19.186 1.00 46.79 6 A 1 ATOM 47 C CB . TRP A 0 6 . 11.253 14.844 -20.255 1.00 46.79 6 A 1 ATOM 48 O O . TRP A 0 6 . 9.980 12.655 -18.123 1.00 46.79 6 A 1 ATOM 49 C CG . TRP A 0 6 . 12.001 16.105 -19.934 1.00 46.79 6 A 1 ATOM 50 C CD1 . TRP A 0 6 . 13.344 16.276 -19.957 1.00 46.79 6 A 1 ATOM 51 C CD2 . TRP A 0 6 . 11.445 17.396 -19.536 1.00 46.79 6 A 1 ATOM 52 C CE2 . TRP A 0 6 . 12.523 18.300 -19.299 1.00 46.79 6 A 1 ATOM 53 C CE3 . TRP A 0 6 . 10.136 17.898 -19.366 1.00 46.79 6 A 1 ATOM 54 N NE1 . TRP A 0 6 . 13.656 17.567 -19.574 1.00 46.79 6 A 1 ATOM 55 C CH2 . TRP A 0 6 . 11.003 20.096 -18.740 1.00 46.79 6 A 1 ATOM 56 C CZ2 . TRP A 0 6 . 12.319 19.629 -18.902 1.00 46.79 6 A 1 ATOM 57 C CZ3 . TRP A 0 6 . 9.918 19.232 -18.975 1.00 46.79 6 A 1 ATOM 58 N N . CYS A 0 7 . 10.413 11.621 -20.061 1.00 48.52 7 A 1 ATOM 59 C CA . CYS A 0 7 . 9.371 10.602 -19.899 1.00 48.52 7 A 1 ATOM 60 C C . CYS A 0 7 . 9.619 9.664 -18.693 1.00 48.52 7 A 1 ATOM 61 C CB . CYS A 0 7 . 9.246 9.849 -21.234 1.00 48.52 7 A 1 ATOM 62 O O . CYS A 0 7 . 8.677 9.222 -18.035 1.00 48.52 7 A 1 ATOM 63 S SG . CYS A 0 7 . 7.541 9.284 -21.461 1.00 48.52 7 A 1 ATOM 64 N N . LYS A 0 8 . 10.886 9.413 -18.319 1.00 51.33 8 A 1 ATOM 65 C CA . LYS A 0 8 . 11.224 8.615 -17.121 1.00 51.33 8 A 1 ATOM 66 C C . LYS A 0 8 . 11.137 9.403 -15.813 1.00 51.33 8 A 1 ATOM 67 C CB . LYS A 0 8 . 12.599 7.945 -17.274 1.00 51.33 8 A 1 ATOM 68 O O . LYS A 0 8 . 10.900 8.808 -14.764 1.00 51.33 8 A 1 ATOM 69 C CG . LYS A 0 8 . 12.504 6.676 -18.137 1.00 51.33 8 A 1 ATOM 70 C CD . LYS A 0 8 . 13.801 5.857 -18.076 1.00 51.33 8 A 1 ATOM 71 C CE . LYS A 0 8 . 13.621 4.536 -18.837 1.00 51.33 8 A 1 ATOM 72 N NZ . LYS A 0 8 . 14.844 3.693 -18.790 1.00 51.33 8 A 1 ATOM 73 N N . ARG A 0 9 . 11.289 10.729 -15.859 1.00 46.14 9 A 1 ATOM 74 C CA . ARG A 0 9 . 11.247 11.588 -14.666 1.00 46.14 9 A 1 ATOM 75 C C . ARG A 0 9 . 9.827 12.024 -14.286 1.00 46.14 9 A 1 ATOM 76 C CB . ARG A 0 9 . 12.228 12.761 -14.852 1.00 46.14 9 A 1 ATOM 77 O O . ARG A 0 9 . 9.605 12.328 -13.123 1.00 46.14 9 A 1 ATOM 78 C CG . ARG A 0 9 . 13.144 12.937 -13.631 1.00 46.14 9 A 1 ATOM 79 C CD . ARG A 0 9 . 14.248 13.954 -13.946 1.00 46.14 9 A 1 ATOM 80 N NE . ARG A 0 9 . 15.116 14.202 -12.777 1.00 46.14 9 A 1 ATOM 81 N NH1 . ARG A 0 9 . 16.751 15.396 -13.861 1.00 46.14 9 A 1 ATOM 82 N NH2 . ARG A 0 9 . 16.902 15.077 -11.661 1.00 46.14 9 A 1 ATOM 83 C CZ . ARG A 0 9 . 16.248 14.885 -12.771 1.00 46.14 9 A 1 ATOM 84 N N . GLY A 0 10 . 8.870 11.973 -15.220 1.00 48.52 10 A 1 ATOM 85 C CA . GLY A 0 10 . 7.446 12.263 -14.982 1.00 48.52 10 A 1 ATOM 86 C C . GLY A 0 10 . 6.634 11.131 -14.334 1.00 48.52 10 A 1 ATOM 87 O O . GLY A 0 10 . 5.579 11.388 -13.768 1.00 48.52 10 A 1 ATOM 88 N N . ARG A 0 11 . 7.136 9.886 -14.337 1.00 53.31 11 A 1 ATOM 89 C CA . ARG A 0 11 . 6.482 8.751 -13.649 1.00 53.31 11 A 1 ATOM 90 C C . ARG A 0 11 . 6.761 8.712 -12.141 1.00 53.31 11 A 1 ATOM 91 C CB . ARG A 0 11 . 6.877 7.425 -14.321 1.00 53.31 11 A 1 ATOM 92 O O . ARG A 0 11 . 5.930 8.250 -11.369 1.00 53.31 11 A 1 ATOM 93 C CG . ARG A 0 11 . 6.300 7.299 -15.741 1.00 53.31 11 A 1 ATOM 94 C CD . ARG A 0 11 . 6.628 5.925 -16.339 1.00 53.31 11 A 1 ATOM 95 N NE . ARG A 0 11 . 6.036 5.759 -17.681 1.00 53.31 11 A 1 ATOM 96 N NH1 . ARG A 0 11 . 6.339 3.487 -17.888 1.00 53.31 11 A 1 ATOM 97 N NH2 . ARG A 0 11 . 5.268 4.600 -19.490 1.00 53.31 11 A 1 ATOM 98 C CZ . ARG A 0 11 . 5.889 4.623 -18.345 1.00 53.31 11 A 1 ATOM 99 N N . PHE A 0 12 . 7.908 9.239 -11.717 1.00 52.36 12 A 1 ATOM 100 C CA . PHE A 0 12 . 8.294 9.323 -10.307 1.00 52.36 12 A 1 ATOM 101 C C . PHE A 0 12 . 7.407 10.239 -9.443 1.00 52.36 12 A 1 ATOM 102 C CB . PHE A 0 12 . 9.779 9.699 -10.200 1.00 52.36 12 A 1 ATOM 103 O O . PHE A 0 12 . 7.045 9.805 -8.350 1.00 52.36 12 A 1 ATOM 104 C CG . PHE A 0 12 . 10.646 8.509 -9.843 1.00 52.36 12 A 1 ATOM 105 C CD1 . PHE A 0 12 . 10.918 8.229 -8.491 1.00 52.36 12 A 1 ATOM 106 C CD2 . PHE A 0 12 . 11.135 7.653 -10.848 1.00 52.36 12 A 1 ATOM 107 C CE1 . PHE A 0 12 . 11.688 7.107 -8.143 1.00 52.36 12 A 1 ATOM 108 C CE2 . PHE A 0 12 . 11.904 6.527 -10.498 1.00 52.36 12 A 1 ATOM 109 C CZ . PHE A 0 12 . 12.182 6.256 -9.146 1.00 52.36 12 A 1 ATOM 110 N N . PRO A 0 13 . 7.001 11.455 -9.875 1.00 57.56 13 A 1 ATOM 111 C CA . PRO A 0 13 . 6.104 12.279 -9.070 1.00 57.56 13 A 1 ATOM 112 C C . PRO A 0 13 . 4.723 11.642 -8.943 1.00 57.56 13 A 1 ATOM 113 C CB . PRO A 0 13 . 6.050 13.650 -9.750 1.00 57.56 13 A 1 ATOM 114 O O . PRO A 0 13 . 4.112 11.763 -7.893 1.00 57.56 13 A 1 ATOM 115 C CG . PRO A 0 13 . 6.396 13.341 -11.201 1.00 57.56 13 A 1 ATOM 116 C CD . PRO A 0 13 . 7.398 12.198 -11.059 1.00 57.56 13 A 1 ATOM 117 N N . LEU A 0 14 . 4.255 10.901 -9.952 1.00 56.82 14 A 1 ATOM 118 C CA . LEU A 0 14 . 2.959 10.232 -9.881 1.00 56.82 14 A 1 ATOM 119 C C . LEU A 0 14 . 2.958 9.104 -8.850 1.00 56.82 14 A 1 ATOM 120 C CB . LEU A 0 14 . 2.542 9.733 -11.271 1.00 56.82 14 A 1 ATOM 121 O O . LEU A 0 14 . 2.032 9.042 -8.060 1.00 56.82 14 A 1 ATOM 122 C CG . LEU A 0 14 . 2.247 10.866 -12.270 1.00 56.82 14 A 1 ATOM 123 C CD1 . LEU A 0 14 . 1.999 10.261 -13.651 1.00 56.82 14 A 1 ATOM 124 C CD2 . LEU A 0 14 . 1.021 11.693 -11.874 1.00 56.82 14 A 1 ATOM 125 N N . LEU A 0 15 . 3.998 8.268 -8.777 1.00 61.53 15 A 1 ATOM 126 C CA . LEU A 0 15 . 4.051 7.200 -7.771 1.00 61.53 15 A 1 ATOM 127 C C . LEU A 0 15 . 4.106 7.755 -6.335 1.00 61.53 15 A 1 ATOM 128 C CB . LEU A 0 15 . 5.262 6.294 -8.048 1.00 61.53 15 A 1 ATOM 129 O O . LEU A 0 15 . 3.461 7.221 -5.438 1.00 61.53 15 A 1 ATOM 130 C CG . LEU A 0 15 . 5.057 4.884 -7.454 1.00 61.53 15 A 1 ATOM 131 C CD1 . LEU A 0 15 . 4.567 3.920 -8.537 1.00 61.53 15 A 1 ATOM 132 C CD2 . LEU A 0 15 . 6.360 4.343 -6.871 1.00 61.53 15 A 1 ATOM 133 N N . VAL A 0 16 . 4.842 8.851 -6.126 1.00 62.99 16 A 1 ATOM 134 C CA . VAL A 0 16 . 4.928 9.531 -4.822 1.00 62.99 16 A 1 ATOM 135 C C . VAL A 0 16 . 3.606 10.217 -4.471 1.00 62.99 16 A 1 ATOM 136 C CB . VAL A 0 16 . 6.103 10.527 -4.808 1.00 62.99 16 A 1 ATOM 137 O O . VAL A 0 16 . 3.153 10.113 -3.336 1.00 62.99 16 A 1 ATOM 138 C CG1 . VAL A 0 16 . 6.172 11.341 -3.510 1.00 62.99 16 A 1 ATOM 139 C CG2 . VAL A 0 16 . 7.442 9.788 -4.953 1.00 62.99 16 A 1 ATOM 140 N N . VAL A 0 17 . 2.950 10.864 -5.438 1.00 65.30 17 A 1 ATOM 141 C CA . VAL A 0 17 . 1.629 11.488 -5.257 1.00 65.30 17 A 1 ATOM 142 C C . VAL A 0 17 . 0.544 10.432 -5.027 1.00 65.30 17 A 1 ATOM 143 C CB . VAL A 0 17 . 1.299 12.397 -6.459 1.00 65.30 17 A 1 ATOM 144 O O . VAL A 0 17 . -0.336 10.643 -4.196 1.00 65.30 17 A 1 ATOM 145 C CG1 . VAL A 0 17 . -0.150 12.899 -6.465 1.00 65.30 17 A 1 ATOM 146 C CG2 . VAL A 0 17 . 2.190 13.650 -6.451 1.00 65.30 17 A 1 ATOM 147 N N . LEU A 0 18 . 0.612 9.283 -5.705 1.00 61.57 18 A 1 ATOM 148 C CA . LEU A 0 18 . -0.286 8.147 -5.490 1.00 61.57 18 A 1 ATOM 149 C C . LEU A 0 18 . -0.067 7.542 -4.100 1.00 61.57 18 A 1 ATOM 150 C CB . LEU A 0 18 . -0.088 7.091 -6.596 1.00 61.57 18 A 1 ATOM 151 O O . LEU A 0 18 . -1.032 7.377 -3.364 1.00 61.57 18 A 1 ATOM 152 C CG . LEU A 0 18 . -0.656 7.478 -7.978 1.00 61.57 18 A 1 ATOM 153 C CD1 . LEU A 0 18 . -0.165 6.479 -9.030 1.00 61.57 18 A 1 ATOM 154 C CD2 . LEU A 0 18 . -2.183 7.489 -8.000 1.00 61.57 18 A 1 ATOM 155 N N . GLY A 0 19 . 1.182 7.295 -3.694 1.00 67.19 19 A 1 ATOM 156 C CA . GLY A 0 19 . 1.499 6.794 -2.352 1.00 67.19 19 A 1 ATOM 157 C C . GLY A 0 19 . 1.083 7.760 -1.238 1.00 67.19 19 A 1 ATOM 158 O O . GLY A 0 19 . 0.544 7.335 -0.219 1.00 67.19 19 A 1 ATOM 159 N N . TYR A 0 20 . 1.258 9.067 -1.454 1.00 66.83 20 A 1 ATOM 160 C CA . TYR A 0 20 . 0.783 10.099 -0.532 1.00 66.83 20 A 1 ATOM 161 C C . TYR A 0 20 . -0.747 10.111 -0.428 1.00 66.83 20 A 1 ATOM 162 C CB . TYR A 0 20 . 1.319 11.465 -0.974 1.00 66.83 20 A 1 ATOM 163 O O . TYR A 0 20 . -1.276 10.196 0.677 1.00 66.83 20 A 1 ATOM 164 C CG . TYR A 0 20 . 0.972 12.589 -0.018 1.00 66.83 20 A 1 ATOM 165 C CD1 . TYR A 0 20 . -0.042 13.511 -0.340 1.00 66.83 20 A 1 ATOM 166 C CD2 . TYR A 0 20 . 1.659 12.698 1.206 1.00 66.83 20 A 1 ATOM 167 C CE1 . TYR A 0 20 . -0.356 14.549 0.557 1.00 66.83 20 A 1 ATOM 168 C CE2 . TYR A 0 20 . 1.324 13.715 2.120 1.00 66.83 20 A 1 ATOM 169 O OH . TYR A 0 20 . -0.035 15.615 2.678 1.00 66.83 20 A 1 ATOM 170 C CZ . TYR A 0 20 . 0.307 14.639 1.797 1.00 66.83 20 A 1 ATOM 171 N N . ASN A 0 21 . -1.460 9.960 -1.550 1.00 67.19 21 A 1 ATOM 172 C CA . ASN A 0 21 . -2.920 9.851 -1.554 1.00 67.19 21 A 1 ATOM 173 C C . ASN A 0 21 . -3.418 8.573 -0.873 1.00 67.19 21 A 1 ATOM 174 C CB . ASN A 0 21 . -3.465 9.943 -2.986 1.00 67.19 21 A 1 ATOM 175 O O . ASN A 0 21 . -4.415 8.643 -0.167 1.00 67.19 21 A 1 ATOM 176 C CG . ASN A 0 21 . -3.675 11.378 -3.414 1.00 67.19 21 A 1 ATOM 177 N ND2 . ASN A 0 21 . -2.928 11.853 -4.378 1.00 67.19 21 A 1 ATOM 178 O OD1 . ASN A 0 21 . -4.495 12.102 -2.881 1.00 67.19 21 A 1 ATOM 179 N N . VAL A 0 22 . -2.734 7.435 -1.031 1.00 68.79 22 A 1 ATOM 180 C CA . VAL A 0 22 . -3.075 6.192 -0.315 1.00 68.79 22 A 1 ATOM 181 C C . VAL A 0 22 . -2.894 6.379 1.189 1.00 68.79 22 A 1 ATOM 182 C CB . VAL A 0 22 . -2.252 4.996 -0.831 1.00 68.79 22 A 1 ATOM 183 O O . VAL A 0 22 . -3.809 6.085 1.947 1.00 68.79 22 A 1 ATOM 184 C CG1 . VAL A 0 22 . -2.461 3.732 0.011 1.00 68.79 22 A 1 ATOM 185 C CG2 . VAL A 0 22 . -2.654 4.643 -2.270 1.00 68.79 22 A 1 ATOM 186 N N . CYS A 0 23 . -1.775 6.963 1.624 1.00 71.90 23 A 1 ATOM 187 C CA . CYS A 0 23 . -1.541 7.244 3.040 1.00 71.90 23 A 1 ATOM 188 C C . CYS A 0 23 . -2.574 8.236 3.605 1.00 71.90 23 A 1 ATOM 189 C CB . CYS A 0 23 . -0.103 7.757 3.181 1.00 71.90 23 A 1 ATOM 190 O O . CYS A 0 23 . -3.119 8.016 4.685 1.00 71.90 23 A 1 ATOM 191 S SG . CYS A 0 23 . 0.338 7.917 4.934 1.00 71.90 23 A 1 ATOM 192 N N . LEU A 0 24 . -2.907 9.293 2.855 1.00 70.50 24 A 1 ATOM 193 C CA . LEU A 0 24 . -3.986 10.217 3.210 1.00 70.50 24 A 1 ATOM 194 C C . LEU A 0 24 . -5.340 9.514 3.275 1.00 70.50 24 A 1 ATOM 195 C CB . LEU A 0 24 . -4.067 11.363 2.187 1.00 70.50 24 A 1 ATOM 196 O O . LEU A 0 24 . -6.120 9.781 4.182 1.00 70.50 24 A 1 ATOM 197 C CG . LEU A 0 24 . -3.332 12.638 2.618 1.00 70.50 24 A 1 ATOM 198 C CD1 . LEU A 0 24 . -3.316 13.609 1.441 1.00 70.50 24 A 1 ATOM 199 C CD2 . LEU A 0 24 . -4.049 13.341 3.777 1.00 70.50 24 A 1 ATOM 200 N N . GLN A 0 25 . -5.626 8.620 2.335 1.00 68.71 25 A 1 ATOM 201 C CA . GLN A 0 25 . -6.866 7.861 2.302 1.00 68.71 25 A 1 ATOM 202 C C . GLN A 0 25 . -6.960 6.901 3.486 1.00 68.71 25 A 1 ATOM 203 C CB . GLN A 0 25 . -6.971 7.140 0.959 1.00 68.71 25 A 1 ATOM 204 O O . GLN A 0 25 . -8.018 6.837 4.101 1.00 68.71 25 A 1 ATOM 205 C CG . GLN A 0 25 . -8.257 6.321 0.828 1.00 68.71 25 A 1 ATOM 206 C CD . GLN A 0 25 . -8.434 5.893 -0.616 1.00 68.71 25 A 1 ATOM 207 N NE2 . GLN A 0 25 . -9.019 6.729 -1.440 1.00 68.71 25 A 1 ATOM 208 O OE1 . GLN A 0 25 . -8.009 4.843 -1.056 1.00 68.71 25 A 1 ATOM 209 N N . GLU A 0 26 . -5.875 6.221 3.858 1.00 70.90 26 A 1 ATOM 210 C CA . GLU A 0 26 . -5.808 5.415 5.080 1.00 70.90 26 A 1 ATOM 211 C C . GLU A 0 26 . -6.017 6.279 6.328 1.00 70.90 26 A 1 ATOM 212 C CB . GLU A 0 26 . -4.465 4.674 5.171 1.00 70.90 26 A 1 ATOM 213 O O . GLU A 0 26 . -6.824 5.927 7.186 1.00 70.90 26 A 1 ATOM 214 C CG . GLU A 0 26 . -4.395 3.463 4.234 1.00 70.90 26 A 1 ATOM 215 C CD . GLU A 0 26 . -3.083 2.702 4.455 1.00 70.90 26 A 1 ATOM 216 O OE1 . GLU A 0 26 . -3.092 1.769 5.290 1.00 70.90 26 A 1 ATOM 217 O OE2 . GLU A 0 26 . -2.073 3.081 3.817 1.00 70.90 26 A 1 ATOM 218 N N . MET A 0 27 . -5.375 7.450 6.411 1.00 71.21 27 A 1 ATOM 219 C CA . MET A 0 27 . -5.577 8.394 7.517 1.00 71.21 27 A 1 ATOM 220 C C . MET A 0 27 . -7.029 8.875 7.604 1.00 71.21 27 A 1 ATOM 221 C CB . MET A 0 27 . -4.643 9.604 7.368 1.00 71.21 27 A 1 ATOM 222 O O . MET A 0 27 . -7.608 8.901 8.690 1.00 71.21 27 A 1 ATOM 223 C CG . MET A 0 27 . -3.194 9.275 7.725 1.00 71.21 27 A 1 ATOM 224 S SD . MET A 0 27 . -2.092 10.709 7.585 1.00 71.21 27 A 1 ATOM 225 C CE . MET A 0 27 . -0.587 9.979 8.275 1.00 71.21 27 A 1 ATOM 226 N N . ILE A 0 28 . -7.641 9.222 6.471 1.00 68.65 28 A 1 ATOM 227 C CA . ILE A 0 28 . -9.048 9.628 6.403 1.00 68.65 28 A 1 ATOM 228 C C . ILE A 0 28 . -9.950 8.443 6.754 1.00 68.65 28 A 1 ATOM 229 C CB . ILE A 0 28 . -9.377 10.232 5.019 1.00 68.65 28 A 1 ATOM 230 O O . ILE A 0 28 . -10.927 8.631 7.471 1.00 68.65 28 A 1 ATOM 231 C CG1 . ILE A 0 28 . -8.652 11.589 4.844 1.00 68.65 28 A 1 ATOM 232 C CG2 . ILE A 0 28 . -10.895 10.445 4.841 1.00 68.65 28 A 1 ATOM 233 C CD1 . ILE A 0 28 . -8.600 12.071 3.388 1.00 68.65 28 A 1 ATOM 234 N N . ASN A 0 29 . -9.628 7.226 6.320 1.00 65.25 29 A 1 ATOM 235 C CA . ASN A 0 29 . -10.411 6.032 6.628 1.00 65.25 29 A 1 ATOM 236 C C . ASN A 0 29 . -10.404 5.725 8.133 1.00 65.25 29 A 1 ATOM 237 C CB . ASN A 0 29 . -9.874 4.853 5.801 1.00 65.25 29 A 1 ATOM 238 O O . ASN A 0 29 . -11.459 5.486 8.719 1.00 65.25 29 A 1 ATOM 239 C CG . ASN A 0 29 . -10.791 3.650 5.870 1.00 65.25 29 A 1 ATOM 240 N ND2 . ASN A 0 29 . -10.273 2.469 5.628 1.00 65.25 29 A 1 ATOM 241 O OD1 . ASN A 0 29 . -11.989 3.759 6.079 1.00 65.25 29 A 1 ATOM 242 N N . LEU A 0 30 . -9.237 5.837 8.777 1.00 70.57 30 A 1 ATOM 243 C CA . LEU A 0 30 . -9.097 5.718 10.230 1.00 70.57 30 A 1 ATOM 244 C C . LEU A 0 30 . -9.861 6.825 10.972 1.00 70.57 30 A 1 ATOM 245 C CB . LEU A 0 30 . -7.602 5.752 10.598 1.00 70.57 30 A 1 ATOM 246 O O . LEU A 0 30 . -10.485 6.561 11.996 1.00 70.57 30 A 1 ATOM 247 C CG . LEU A 0 30 . -6.804 4.503 10.178 1.00 70.57 30 A 1 ATOM 248 C CD1 . LEU A 0 30 . -5.313 4.750 10.416 1.00 70.57 30 A 1 ATOM 249 C CD2 . LEU A 0 30 . -7.218 3.262 10.971 1.00 70.57 30 A 1 ATOM 250 N N . MET A 0 31 . -9.853 8.052 10.444 1.00 67.18 31 A 1 ATOM 251 C CA . MET A 0 31 . -10.578 9.191 11.025 1.00 67.18 31 A 1 ATOM 252 C C . MET A 0 31 . -12.098 9.113 10.817 1.00 67.18 31 A 1 ATOM 253 C CB . MET A 0 31 . -10.040 10.495 10.419 1.00 67.18 31 A 1 ATOM 254 O O . MET A 0 31 . -12.852 9.635 11.634 1.00 67.18 31 A 1 ATOM 255 C CG . MET A 0 31 . -8.627 10.837 10.913 1.00 67.18 31 A 1 ATOM 256 S SD . MET A 0 31 . -8.550 12.165 12.149 1.00 67.18 31 A 1 ATOM 257 C CE . MET A 0 31 . -8.822 13.595 11.068 1.00 67.18 31 A 1 ATOM 258 N N . THR A 0 32 . -12.557 8.475 9.738 1.00 64.01 32 A 1 ATOM 259 C CA . THR A 0 32 . -13.968 8.492 9.305 1.00 64.01 32 A 1 ATOM 260 C C . THR A 0 32 . -14.689 7.164 9.568 1.00 64.01 32 A 1 ATOM 261 C CB . THR A 0 32 . -14.125 8.976 7.847 1.00 64.01 32 A 1 ATOM 262 O O . THR A 0 32 . -15.822 6.984 9.125 1.00 64.01 32 A 1 ATOM 263 C CG2 . THR A 0 32 . -15.477 9.640 7.564 1.00 64.01 32 A 1 ATOM 264 O OG1 . THR A 0 32 . -13.183 9.976 7.536 1.00 64.01 32 A 1 ATOM 265 N N . GLY A 0 33 . -14.069 6.245 10.318 1.00 60.57 33 A 1 ATOM 266 C CA . GLY A 0 33 . -14.749 5.098 10.926 1.00 60.57 33 A 1 ATOM 267 C C . GLY A 0 33 . -15.554 4.241 9.944 1.00 60.57 33 A 1 ATOM 268 O O . GLY A 0 33 . -16.745 4.035 10.150 1.00 60.57 33 A 1 ATOM 269 N N . GLU A 0 34 . -14.902 3.746 8.887 1.00 59.60 34 A 1 ATOM 270 C CA . GLU A 0 34 . -15.410 2.684 7.992 1.00 59.60 34 A 1 ATOM 271 C C . GLU A 0 34 . -16.451 3.067 6.919 1.00 59.60 34 A 1 ATOM 272 C CB . GLU A 0 34 . -15.885 1.444 8.786 1.00 59.60 34 A 1 ATOM 273 O O . GLU A 0 34 . -16.881 2.193 6.171 1.00 59.60 34 A 1 ATOM 274 C CG . GLU A 0 34 . -14.887 0.927 9.829 1.00 59.60 34 A 1 ATOM 275 C CD . GLU A 0 34 . -15.340 -0.429 10.386 1.00 59.60 34 A 1 ATOM 276 O OE1 . GLU A 0 34 . -14.550 -1.392 10.269 1.00 59.60 34 A 1 ATOM 277 O OE2 . GLU A 0 34 . -16.465 -0.490 10.938 1.00 59.60 34 A 1 ATOM 278 N N . ARG A 0 35 . -16.856 4.336 6.754 1.00 56.04 35 A 1 ATOM 279 C CA . ARG A 0 35 . -17.984 4.662 5.841 1.00 56.04 35 A 1 ATOM 280 C C . ARG A 0 35 . -17.665 5.178 4.432 1.00 56.04 35 A 1 ATOM 281 C CB . ARG A 0 35 . -19.035 5.510 6.573 1.00 56.04 35 A 1 ATOM 282 O O . ARG A 0 35 . -18.602 5.355 3.662 1.00 56.04 35 A 1 ATOM 283 C CG . ARG A 0 35 . -19.875 4.618 7.499 1.00 56.04 35 A 1 ATOM 284 C CD . ARG A 0 35 . -21.091 5.388 8.013 1.00 56.04 35 A 1 ATOM 285 N NE . ARG A 0 35 . -21.964 4.519 8.821 1.00 56.04 35 A 1 ATOM 286 N NH1 . ARG A 0 35 . -23.803 5.888 8.844 1.00 56.04 35 A 1 ATOM 287 N NH2 . ARG A 0 35 . -23.876 3.918 9.896 1.00 56.04 35 A 1 ATOM 288 C CZ . ARG A 0 35 . -23.206 4.777 9.182 1.00 56.04 35 A 1 ATOM 289 N N . HIS A 0 36 . -16.406 5.418 4.056 1.00 54.03 36 A 1 ATOM 290 C CA . HIS A 0 36 . -16.099 6.078 2.767 1.00 54.03 36 A 1 ATOM 291 C C . HIS A 0 36 . -14.904 5.521 1.968 1.00 54.03 36 A 1 ATOM 292 C CB . HIS A 0 36 . -15.991 7.600 2.996 1.00 54.03 36 A 1 ATOM 293 O O . HIS A 0 36 . -14.592 6.056 0.904 1.00 54.03 36 A 1 ATOM 294 C CG . HIS A 0 36 . -17.282 8.330 2.709 1.00 54.03 36 A 1 ATOM 295 C CD2 . HIS A 0 36 . -18.325 8.544 3.570 1.00 54.03 36 A 1 ATOM 296 N ND1 . HIS A 0 36 . -17.634 8.893 1.504 1.00 54.03 36 A 1 ATOM 297 C CE1 . HIS A 0 36 . -18.855 9.438 1.638 1.00 54.03 36 A 1 ATOM 298 N NE2 . HIS A 0 36 . -19.315 9.258 2.885 1.00 54.03 36 A 1 ATOM 299 N N . ALA A 0 37 . -14.242 4.452 2.422 1.00 54.31 37 A 1 ATOM 300 C CA . ALA A 0 37 . -13.029 3.949 1.763 1.00 54.31 37 A 1 ATOM 301 C C . ALA A 0 37 . -13.275 3.212 0.437 1.00 54.31 37 A 1 ATOM 302 C CB . ALA A 0 37 . -12.279 3.064 2.752 1.00 54.31 37 A 1 ATOM 303 O O . ALA A 0 37 . -12.422 3.238 -0.448 1.00 54.31 37 A 1 ATOM 304 N N . GLU A 0 38 . -14.441 2.595 0.256 1.00 54.87 38 A 1 ATOM 305 C CA . GLU A 0 38 . -14.699 1.767 -0.931 1.00 54.87 38 A 1 ATOM 306 C C . GLU A 0 38 . -14.956 2.591 -2.200 1.00 54.87 38 A 1 ATOM 307 C CB . GLU A 0 38 . -15.867 0.816 -0.644 1.00 54.87 38 A 1 ATOM 308 O O . GLU A 0 38 . -14.662 2.140 -3.307 1.00 54.87 38 A 1 ATOM 309 C CG . GLU A 0 38 . -15.506 -0.186 0.460 1.00 54.87 38 A 1 ATOM 310 C CD . GLU A 0 38 . -16.614 -1.229 0.620 1.00 54.87 38 A 1 ATOM 311 O OE1 . GLU A 0 38 . -16.420 -2.360 0.122 1.00 54.87 38 A 1 ATOM 312 O OE2 . GLU A 0 38 . -17.654 -0.865 1.213 1.00 54.87 38 A 1 ATOM 313 N N . LEU A 0 39 . -15.445 3.830 -2.056 1.00 54.82 39 A 1 ATOM 314 C CA . LEU A 0 39 . -15.854 4.640 -3.205 1.00 54.82 39 A 1 ATOM 315 C C . LEU A 0 39 . -14.666 5.125 -4.049 1.00 54.82 39 A 1 ATOM 316 C CB . LEU A 0 39 . -16.719 5.824 -2.734 1.00 54.82 39 A 1 ATOM 317 O O . LEU A 0 39 . -14.819 5.371 -5.237 1.00 54.82 39 A 1 ATOM 318 C CG . LEU A 0 39 . -17.832 6.138 -3.755 1.00 54.82 39 A 1 ATOM 319 C CD1 . LEU A 0 39 . -19.075 5.289 -3.468 1.00 54.82 39 A 1 ATOM 320 C CD2 . LEU A 0 39 . -18.233 7.610 -3.690 1.00 54.82 39 A 1 ATOM 321 N N . PHE A 0 40 . -13.479 5.248 -3.455 1.00 56.16 40 A 1 ATOM 322 C CA . PHE A 0 40 . -12.298 5.740 -4.163 1.00 56.16 40 A 1 ATOM 323 C C . PHE A 0 40 . -11.406 4.610 -4.693 1.00 56.16 40 A 1 ATOM 324 C CB . PHE A 0 40 . -11.546 6.696 -3.238 1.00 56.16 40 A 1 ATOM 325 O O . PHE A 0 40 . -10.751 4.788 -5.717 1.00 56.16 40 A 1 ATOM 326 C CG . PHE A 0 40 . -12.262 8.008 -2.973 1.00 56.16 40 A 1 ATOM 327 C CD1 . PHE A 0 40 . -12.261 9.016 -3.956 1.00 56.16 40 A 1 ATOM 328 C CD2 . PHE A 0 40 . -12.939 8.223 -1.756 1.00 56.16 40 A 1 ATOM 329 C CE1 . PHE A 0 40 . -12.926 10.233 -3.724 1.00 56.16 40 A 1 ATOM 330 C CE2 . PHE A 0 40 . -13.604 9.441 -1.524 1.00 56.16 40 A 1 ATOM 331 C CZ . PHE A 0 40 . -13.597 10.446 -2.508 1.00 56.16 40 A 1 ATOM 332 N N . ALA A 0 41 . -11.382 3.437 -4.054 1.00 56.09 41 A 1 ATOM 333 C CA . ALA A 0 41 . -10.489 2.341 -4.446 1.00 56.09 41 A 1 ATOM 334 C C . ALA A 0 41 . -10.764 1.813 -5.871 1.00 56.09 41 A 1 ATOM 335 C CB . ALA A 0 41 . -10.619 1.232 -3.397 1.00 56.09 41 A 1 ATOM 336 O O . ALA A 0 41 . -9.834 1.422 -6.584 1.00 56.09 41 A 1 ATOM 337 N N . THR A 0 42 . -12.026 1.837 -6.307 1.00 58.40 42 A 1 ATOM 338 C CA . THR A 0 42 . -12.446 1.304 -7.614 1.00 58.40 42 A 1 ATOM 339 C C . THR A 0 42 . -11.967 2.183 -8.778 1.00 58.40 42 A 1 ATOM 340 C CB . THR A 0 42 . -13.970 1.098 -7.655 1.00 58.40 42 A 1 ATOM 341 O O . THR A 0 42 . -11.413 1.666 -9.750 1.00 58.40 42 A 1 ATOM 342 C CG2 . THR A 0 42 . -14.382 0.185 -8.810 1.00 58.40 42 A 1 ATOM 343 O OG1 . THR A 0 42 . -14.405 0.453 -6.476 1.00 58.40 42 A 1 ATOM 344 N N . ASP A 0 43 . -12.078 3.509 -8.654 1.00 62.07 43 A 1 ATOM 345 C CA . ASP A 0 43 . -11.632 4.457 -9.685 1.00 62.07 43 A 1 ATOM 346 C C . ASP A 0 43 . -10.108 4.438 -9.858 1.00 62.07 43 A 1 ATOM 347 C CB . ASP A 0 43 . -12.126 5.871 -9.344 1.00 62.07 43 A 1 ATOM 348 O O . ASP A 0 43 . -9.606 4.358 -10.982 1.00 62.07 43 A 1 ATOM 349 C CG . ASP A 0 43 . -13.490 6.133 -9.981 1.00 62.07 43 A 1 ATOM 350 O OD1 . ASP A 0 43 . -13.493 6.586 -11.146 1.00 62.07 43 A 1 ATOM 351 O OD2 . ASP A 0 43 . -14.505 5.855 -9.308 1.00 62.07 43 A 1 ATOM 352 N N . TRP A 0 44 . -9.350 4.405 -8.758 1.00 63.59 44 A 1 ATOM 353 C CA . TRP A 0 44 . -7.885 4.397 -8.823 1.00 63.59 44 A 1 ATOM 354 C C . TRP A 0 44 . -7.322 3.083 -9.359 1.00 63.59 44 A 1 ATOM 355 C CB . TRP A 0 44 . -7.299 4.721 -7.449 1.00 63.59 44 A 1 ATOM 356 O O . TRP A 0 44 . -6.357 3.102 -10.123 1.00 63.59 44 A 1 ATOM 357 C CG . TRP A 0 44 . -7.600 6.108 -6.981 1.00 63.59 44 A 1 ATOM 358 C CD1 . TRP A 0 44 . -8.323 6.436 -5.890 1.00 63.59 44 A 1 ATOM 359 C CD2 . TRP A 0 44 . -7.163 7.375 -7.556 1.00 63.59 44 A 1 ATOM 360 C CE2 . TRP A 0 44 . -7.738 8.436 -6.794 1.00 63.59 44 A 1 ATOM 361 C CE3 . TRP A 0 44 . -6.312 7.733 -8.623 1.00 63.59 44 A 1 ATOM 362 N NE1 . TRP A 0 44 . -8.465 7.805 -5.812 1.00 63.59 44 A 1 ATOM 363 C CH2 . TRP A 0 44 . -6.646 10.109 -8.153 1.00 63.59 44 A 1 ATOM 364 C CZ2 . TRP A 0 44 . -7.497 9.785 -7.083 1.00 63.59 44 A 1 ATOM 365 C CZ3 . TRP A 0 44 . -6.052 9.086 -8.915 1.00 63.59 44 A 1 ATOM 366 N N . SER A 0 45 . -7.943 1.949 -9.024 1.00 63.18 45 A 1 ATOM 367 C CA . SER A 0 45 . -7.553 0.643 -9.573 1.00 63.18 45 A 1 ATOM 368 C C . SER A 0 45 . -7.722 0.614 -11.092 1.00 63.18 45 A 1 ATOM 369 C CB . SER A 0 45 . -8.381 -0.478 -8.942 1.00 63.18 45 A 1 ATOM 370 O O . SER A 0 45 . -6.845 0.123 -11.803 1.00 63.18 45 A 1 ATOM 371 O OG . SER A 0 45 . -8.170 -0.505 -7.546 1.00 63.18 45 A 1 ATOM 372 N N . SER A 0 46 . -8.811 1.206 -11.595 1.00 65.07 46 A 1 ATOM 373 C CA . SER A 0 46 . -9.068 1.320 -13.033 1.00 65.07 46 A 1 ATOM 374 C C . SER A 0 46 . -8.085 2.270 -13.731 1.00 65.07 46 A 1 ATOM 375 C CB . SER A 0 46 . -10.528 1.728 -13.265 1.00 65.07 46 A 1 ATOM 376 O O . SER A 0 46 . -7.584 1.953 -14.810 1.00 65.07 46 A 1 ATOM 377 O OG . SER A 0 46 . -10.735 3.118 -13.130 1.00 65.07 46 A 1 ATOM 378 N N . PHE A 0 47 . -7.726 3.383 -13.083 1.00 64.26 47 A 1 ATOM 379 C CA . PHE A 0 47 . -6.747 4.344 -13.591 1.00 64.26 47 A 1 ATOM 380 C C . PHE A 0 47 . -5.335 3.746 -13.665 1.00 64.26 47 A 1 ATOM 381 C CB . PHE A 0 47 . -6.779 5.585 -12.692 1.00 64.26 47 A 1 ATOM 382 O O . PHE A 0 47 . -4.628 3.930 -14.656 1.00 64.26 47 A 1 ATOM 383 C CG . PHE A 0 47 . -5.916 6.721 -13.195 1.00 64.26 47 A 1 ATOM 384 C CD1 . PHE A 0 47 . -4.622 6.918 -12.677 1.00 64.26 47 A 1 ATOM 385 C CD2 . PHE A 0 47 . -6.410 7.581 -14.192 1.00 64.26 47 A 1 ATOM 386 C CE1 . PHE A 0 47 . -3.835 7.987 -13.139 1.00 64.26 47 A 1 ATOM 387 C CE2 . PHE A 0 47 . -5.623 8.650 -14.656 1.00 64.26 47 A 1 ATOM 388 C CZ . PHE A 0 47 . -4.342 8.860 -14.119 1.00 64.26 47 A 1 ATOM 389 N N . ILE A 0 48 . -4.932 2.981 -12.645 1.00 64.52 48 A 1 ATOM 390 C CA . ILE A 0 48 . -3.644 2.276 -12.622 1.00 64.52 48 A 1 ATOM 391 C C . ILE A 0 48 . -3.615 1.188 -13.702 1.00 64.52 48 A 1 ATOM 392 C CB . ILE A 0 48 . -3.357 1.719 -11.209 1.00 64.52 48 A 1 ATOM 393 O O . ILE A 0 48 . -2.637 1.101 -14.441 1.00 64.52 48 A 1 ATOM 394 C CG1 . ILE A 0 48 . -3.118 2.883 -10.216 1.00 64.52 48 A 1 ATOM 395 C CG2 . ILE A 0 48 . -2.125 0.790 -11.216 1.00 64.52 48 A 1 ATOM 396 C CD1 . ILE A 0 48 . -3.172 2.458 -8.743 1.00 64.52 48 A 1 ATOM 397 N N . LEU A 0 49 . -4.690 0.406 -13.850 1.00 63.32 49 A 1 ATOM 398 C CA . LEU A 0 49 . -4.817 -0.579 -14.930 1.00 63.32 49 A 1 ATOM 399 C C . LEU A 0 49 . -4.725 0.070 -16.319 1.00 63.32 49 A 1 ATOM 400 C CB . LEU A 0 49 . -6.137 -1.356 -14.758 1.00 63.32 49 A 1 ATOM 401 O O . LEU A 0 49 . -4.030 -0.463 -17.179 1.00 63.32 49 A 1 ATOM 402 C CG . LEU A 0 49 . -5.957 -2.633 -13.917 1.00 63.32 49 A 1 ATOM 403 C CD1 . LEU A 0 49 . -7.279 -3.070 -13.288 1.00 63.32 49 A 1 ATOM 404 C CD2 . LEU A 0 49 . -5.448 -3.781 -14.794 1.00 63.32 49 A 1 ATOM 405 N N . MET A 0 50 . -5.347 1.236 -16.523 1.00 63.62 50 A 1 ATOM 406 C CA . MET A 0 50 . -5.246 1.988 -17.781 1.00 63.62 50 A 1 ATOM 407 C C . MET A 0 50 . -3.864 2.591 -18.049 1.00 63.62 50 A 1 ATOM 408 C CB . MET A 0 50 . -6.293 3.114 -17.832 1.00 63.62 50 A 1 ATOM 409 O O . MET A 0 50 . -3.541 2.838 -19.203 1.00 63.62 50 A 1 ATOM 410 C CG . MET A 0 50 . -7.602 2.639 -18.462 1.00 63.62 50 A 1 ATOM 411 S SD . MET A 0 50 . -8.472 3.951 -19.364 1.00 63.62 50 A 1 ATOM 412 C CE . MET A 0 50 . -9.205 2.955 -20.686 1.00 63.62 50 A 1 ATOM 413 N N . MET A 0 51 . -3.056 2.858 -17.020 1.00 60.60 51 A 1 ATOM 414 C CA . MET A 0 51 . -1.682 3.346 -17.203 1.00 60.60 51 A 1 ATOM 415 C C . MET A 0 51 . -0.648 2.225 -17.387 1.00 60.60 51 A 1 ATOM 416 C CB . MET A 0 51 . -1.282 4.244 -16.023 1.00 60.60 51 A 1 ATOM 417 O O . MET A 0 51 . 0.469 2.503 -17.835 1.00 60.60 51 A 1 ATOM 418 C CG . MET A 0 51 . -1.861 5.655 -16.145 1.00 60.60 51 A 1 ATOM 419 S SD . MET A 0 51 . -0.975 6.883 -15.138 1.00 60.60 51 A 1 ATOM 420 C CE . MET A 0 51 . -1.538 8.383 -15.981 1.00 60.60 51 A 1 ATOM 421 N N . VAL A 0 52 . -0.976 0.993 -16.983 1.00 65.55 52 A 1 ATOM 422 C CA . VAL A 0 52 . -0.094 -0.183 -17.083 1.00 65.55 52 A 1 ATOM 423 C C . VAL A 0 52 . -0.312 -0.968 -18.387 1.00 65.55 52 A 1 ATOM 424 C CB . VAL A 0 52 . -0.242 -1.064 -15.821 1.00 65.55 52 A 1 ATOM 425 O O . VAL A 0 52 . 0.638 -1.603 -18.849 1.00 65.55 52 A 1 ATOM 426 C CG1 . VAL A 0 52 . 0.520 -2.395 -15.903 1.00 65.55 52 A 1 ATOM 427 C CG2 . VAL A 0 52 . 0.309 -0.338 -14.582 1.00 65.55 52 A 1 ATOM 428 N N . LEU A 0 53 . -1.514 -0.911 -18.978 1.00 57.41 53 A 1 ATOM 429 C CA . LEU A 0 53 . -1.821 -1.399 -20.336 1.00 57.41 53 A 1 ATOM 430 C C . LEU A 0 53 . -1.375 -0.402 -21.416 1.00 57.41 53 A 1 ATOM 431 C CB . LEU A 0 53 . -3.334 -1.703 -20.427 1.00 57.41 53 A 1 ATOM 432 O O . LEU A 0 53 . -0.922 -0.881 -22.479 1.00 57.41 53 A 1 ATOM 433 C CG . LEU A 0 53 . -3.768 -3.002 -19.734 1.00 57.41 53 A 1 ATOM 434 C CD1 . LEU A 0 53 . -5.286 -3.018 -19.558 1.00 57.41 53 A 1 ATOM 435 C CD2 . LEU A 0 53 . -3.377 -4.227 -20.565 1.00 57.41 53 A 1 ATOM 436 O OXT . LEU A 0 53 . -1.507 0.812 -21.160 1.00 57.41 53 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 59.45 # loop_ _atom_type.symbol C N O S #