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 ILE 0 4 LEU 0 5 ASN 0 6 LEU 0 7 HIS 0 8 LYS 0 9 SER 0 10 PRO 0 11 SER 0 12 ASP 0 13 ASN 0 14 ASN 0 15 LEU 0 16 ASN 0 17 ASP 0 18 LEU 0 19 GLN 0 20 TYR 0 21 ILE 0 22 SER 0 23 ILE 0 24 PHE 0 25 PHE 0 26 LEU 0 27 ILE 0 28 LEU 0 29 VAL 0 30 ALA 0 31 VAL 0 32 LEU 0 33 PHE 0 34 PRO 0 35 PRO 0 36 SER 0 37 GLY 0 38 PHE 0 39 GLU 0 40 PRO 0 41 THR 0 42 ALA 0 43 ASN 0 44 ALA 0 45 SER 0 46 VAL 0 47 CYS 0 48 TYR 0 49 ARG 0 50 ILE 0 51 PHE 0 52 GLU 0 53 LEU 0 54 PHE 0 55 LEU 0 56 HIS 0 57 CYS 0 58 SER 0 59 LYS 0 60 SER 0 61 VAL 0 62 GLY 0 63 ASN 0 64 TRP 0 65 MET 0 66 MET 0 67 LEU 0 68 LEU 0 69 PHE # 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 . -1.070 11.727 -29.842 1.00 47.78 1 A 1 ATOM 2 C CA . MET A 0 1 . -2.546 11.783 -29.746 1.00 47.78 1 A 1 ATOM 3 C C . MET A 0 1 . -3.146 10.383 -29.565 1.00 47.78 1 A 1 ATOM 4 C CB . MET A 0 1 . -3.096 12.537 -30.972 1.00 47.78 1 A 1 ATOM 5 O O . MET A 0 1 . -3.926 9.944 -30.389 1.00 47.78 1 A 1 ATOM 6 C CG . MET A 0 1 . -4.603 12.808 -30.924 1.00 47.78 1 A 1 ATOM 7 S SD . MET A 0 1 . -5.067 14.290 -31.849 1.00 47.78 1 A 1 ATOM 8 C CE . MET A 0 1 . -6.868 14.230 -31.658 1.00 47.78 1 A 1 ATOM 9 N N . TYR A 0 2 . -2.780 9.695 -28.475 1.00 41.35 2 A 1 ATOM 10 C CA . TYR A 0 2 . -3.408 8.439 -28.014 1.00 41.35 2 A 1 ATOM 11 C C . TYR A 0 2 . -3.355 8.290 -26.466 1.00 41.35 2 A 1 ATOM 12 C CB . TYR A 0 2 . -2.791 7.224 -28.756 1.00 41.35 2 A 1 ATOM 13 O O . TYR A 0 2 . -3.716 7.252 -25.935 1.00 41.35 2 A 1 ATOM 14 C CG . TYR A 0 2 . -3.669 6.655 -29.865 1.00 41.35 2 A 1 ATOM 15 C CD1 . TYR A 0 2 . -4.652 5.694 -29.555 1.00 41.35 2 A 1 ATOM 16 C CD2 . TYR A 0 2 . -3.512 7.079 -31.201 1.00 41.35 2 A 1 ATOM 17 C CE1 . TYR A 0 2 . -5.484 5.177 -30.568 1.00 41.35 2 A 1 ATOM 18 C CE2 . TYR A 0 2 . -4.350 6.573 -32.215 1.00 41.35 2 A 1 ATOM 19 O OH . TYR A 0 2 . -6.156 5.126 -32.867 1.00 41.35 2 A 1 ATOM 20 C CZ . TYR A 0 2 . -5.341 5.620 -31.899 1.00 41.35 2 A 1 ATOM 21 N N . ILE A 0 3 . -2.942 9.333 -25.719 1.00 49.94 3 A 1 ATOM 22 C CA . ILE A 0 3 . -2.594 9.264 -24.274 1.00 49.94 3 A 1 ATOM 23 C C . ILE A 0 3 . -3.622 10.008 -23.373 1.00 49.94 3 A 1 ATOM 24 C CB . ILE A 0 3 . -1.088 9.651 -24.090 1.00 49.94 3 A 1 ATOM 25 O O . ILE A 0 3 . -3.361 10.303 -22.217 1.00 49.94 3 A 1 ATOM 26 C CG1 . ILE A 0 3 . -0.189 8.586 -24.775 1.00 49.94 3 A 1 ATOM 27 C CG2 . ILE A 0 3 . -0.614 9.799 -22.629 1.00 49.94 3 A 1 ATOM 28 C CD1 . ILE A 0 3 . 1.267 9.019 -25.011 1.00 49.94 3 A 1 ATOM 29 N N . LEU A 0 4 . -4.832 10.305 -23.870 1.00 46.58 4 A 1 ATOM 30 C CA . LEU A 0 4 . -5.816 11.150 -23.153 1.00 46.58 4 A 1 ATOM 31 C C . LEU A 0 4 . -7.245 10.576 -23.048 1.00 46.58 4 A 1 ATOM 32 C CB . LEU A 0 4 . -5.751 12.588 -23.722 1.00 46.58 4 A 1 ATOM 33 O O . LEU A 0 4 . -8.180 11.326 -22.795 1.00 46.58 4 A 1 ATOM 34 C CG . LEU A 0 4 . -4.753 13.486 -22.963 1.00 46.58 4 A 1 ATOM 35 C CD1 . LEU A 0 4 . -4.397 14.703 -23.817 1.00 46.58 4 A 1 ATOM 36 C CD2 . LEU A 0 4 . -5.334 13.986 -21.638 1.00 46.58 4 A 1 ATOM 37 N N . ASN A 0 5 . -7.435 9.258 -23.188 1.00 47.82 5 A 1 ATOM 38 C CA . ASN A 0 5 . -8.769 8.631 -23.098 1.00 47.82 5 A 1 ATOM 39 C C . ASN A 0 5 . -8.977 7.664 -21.917 1.00 47.82 5 A 1 ATOM 40 C CB . ASN A 0 5 . -9.163 8.034 -24.468 1.00 47.82 5 A 1 ATOM 41 O O . ASN A 0 5 . -10.019 7.022 -21.853 1.00 47.82 5 A 1 ATOM 42 C CG . ASN A 0 5 . -10.050 8.950 -25.300 1.00 47.82 5 A 1 ATOM 43 N ND2 . ASN A 0 5 . -10.112 8.719 -26.590 1.00 47.82 5 A 1 ATOM 44 O OD1 . ASN A 0 5 . -10.713 9.861 -24.833 1.00 47.82 5 A 1 ATOM 45 N N . LEU A 0 6 . -8.052 7.588 -20.951 1.00 49.28 6 A 1 ATOM 46 C CA . LEU A 0 6 . -8.220 6.736 -19.759 1.00 49.28 6 A 1 ATOM 47 C C . LEU A 0 6 . -8.804 7.461 -18.530 1.00 49.28 6 A 1 ATOM 48 C CB . LEU A 0 6 . -6.915 5.968 -19.457 1.00 49.28 6 A 1 ATOM 49 O O . LEU A 0 6 . -8.878 6.884 -17.454 1.00 49.28 6 A 1 ATOM 50 C CG . LEU A 0 6 . -7.121 4.433 -19.400 1.00 49.28 6 A 1 ATOM 51 C CD1 . LEU A 0 6 . -6.360 3.751 -20.539 1.00 49.28 6 A 1 ATOM 52 C CD2 . LEU A 0 6 . -6.642 3.852 -18.073 1.00 49.28 6 A 1 ATOM 53 N N . HIS A 0 7 . -9.243 8.715 -18.685 1.00 54.47 7 A 1 ATOM 54 C CA . HIS A 0 7 . -9.793 9.539 -17.598 1.00 54.47 7 A 1 ATOM 55 C C . HIS A 0 7 . -11.228 10.016 -17.891 1.00 54.47 7 A 1 ATOM 56 C CB . HIS A 0 7 . -8.804 10.665 -17.269 1.00 54.47 7 A 1 ATOM 57 O O . HIS A 0 7 . -11.613 11.142 -17.575 1.00 54.47 7 A 1 ATOM 58 C CG . HIS A 0 7 . -9.010 11.242 -15.893 1.00 54.47 7 A 1 ATOM 59 C CD2 . HIS A 0 7 . -8.543 10.726 -14.714 1.00 54.47 7 A 1 ATOM 60 N ND1 . HIS A 0 7 . -9.727 12.374 -15.584 1.00 54.47 7 A 1 ATOM 61 C CE1 . HIS A 0 7 . -9.684 12.544 -14.253 1.00 54.47 7 A 1 ATOM 62 N NE2 . HIS A 0 7 . -8.972 11.562 -13.681 1.00 54.47 7 A 1 ATOM 63 N N . LYS A 0 8 . -12.024 9.161 -18.548 1.00 43.08 8 A 1 ATOM 64 C CA . LYS A 0 8 . -13.413 9.448 -18.922 1.00 43.08 8 A 1 ATOM 65 C C . LYS A 0 8 . -14.360 8.386 -18.358 1.00 43.08 8 A 1 ATOM 66 C CB . LYS A 0 8 . -13.501 9.635 -20.450 1.00 43.08 8 A 1 ATOM 67 O O . LYS A 0 8 . -14.646 7.398 -19.019 1.00 43.08 8 A 1 ATOM 68 C CG . LYS A 0 8 . -14.738 10.452 -20.856 1.00 43.08 8 A 1 ATOM 69 C CD . LYS A 0 8 . -14.718 10.756 -22.361 1.00 43.08 8 A 1 ATOM 70 C CE . LYS A 0 8 . -15.851 11.725 -22.721 1.00 43.08 8 A 1 ATOM 71 N NZ . LYS A 0 8 . -15.790 12.121 -24.149 1.00 43.08 8 A 1 ATOM 72 N N . SER A 0 9 . -14.806 8.618 -17.124 1.00 46.77 9 A 1 ATOM 73 C CA . SER A 0 9 . -16.212 8.582 -16.672 1.00 46.77 9 A 1 ATOM 74 C C . SER A 0 9 . -16.306 8.165 -15.194 1.00 46.77 9 A 1 ATOM 75 C CB . SER A 0 9 . -17.163 7.701 -17.515 1.00 46.77 9 A 1 ATOM 76 O O . SER A 0 9 . -16.350 6.975 -14.897 1.00 46.77 9 A 1 ATOM 77 O OG . SER A 0 9 . -18.483 8.106 -17.189 1.00 46.77 9 A 1 ATOM 78 N N . PRO A 0 10 . -16.384 9.114 -14.242 1.00 46.99 10 A 1 ATOM 79 C CA . PRO A 0 10 . -16.922 8.841 -12.913 1.00 46.99 10 A 1 ATOM 80 C C . PRO A 0 10 . -18.463 8.971 -12.892 1.00 46.99 10 A 1 ATOM 81 C CB . PRO A 0 10 . -16.187 9.832 -12.002 1.00 46.99 10 A 1 ATOM 82 O O . PRO A 0 10 . -19.018 9.341 -11.865 1.00 46.99 10 A 1 ATOM 83 C CG . PRO A 0 10 . -16.009 11.061 -12.894 1.00 46.99 10 A 1 ATOM 84 C CD . PRO A 0 10 . -15.953 10.504 -14.324 1.00 46.99 10 A 1 ATOM 85 N N . SER A 0 11 . -19.158 8.743 -14.021 1.00 47.67 11 A 1 ATOM 86 C CA . SER A 0 11 . -20.537 9.227 -14.211 1.00 47.67 11 A 1 ATOM 87 C C . SER A 0 11 . -21.604 8.176 -14.550 1.00 47.67 11 A 1 ATOM 88 C CB . SER A 0 11 . -20.540 10.341 -15.267 1.00 47.67 11 A 1 ATOM 89 O O . SER A 0 11 . -22.752 8.582 -14.691 1.00 47.67 11 A 1 ATOM 90 O OG . SER A 0 11 . -21.773 11.028 -15.287 1.00 47.67 11 A 1 ATOM 91 N N . ASP A 0 12 . -21.304 6.874 -14.666 1.00 52.52 12 A 1 ATOM 92 C CA . ASP A 0 12 . -22.302 5.940 -15.238 1.00 52.52 12 A 1 ATOM 93 C C . ASP A 0 12 . -22.583 4.634 -14.494 1.00 52.52 12 A 1 ATOM 94 C CB . ASP A 0 12 . -21.979 5.669 -16.714 1.00 52.52 12 A 1 ATOM 95 O O . ASP A 0 12 . -23.465 3.901 -14.924 1.00 52.52 12 A 1 ATOM 96 C CG . ASP A 0 12 . -22.416 6.832 -17.604 1.00 52.52 12 A 1 ATOM 97 O OD1 . ASP A 0 12 . -23.597 7.231 -17.523 1.00 52.52 12 A 1 ATOM 98 O OD2 . ASP A 0 12 . -21.539 7.305 -18.367 1.00 52.52 12 A 1 ATOM 99 N N . ASN A 0 13 . -21.930 4.306 -13.378 1.00 57.93 13 A 1 ATOM 100 C CA . ASN A 0 13 . -22.269 3.069 -12.672 1.00 57.93 13 A 1 ATOM 101 C C . ASN A 0 13 . -22.228 3.264 -11.167 1.00 57.93 13 A 1 ATOM 102 C CB . ASN A 0 13 . -21.379 1.916 -13.167 1.00 57.93 13 A 1 ATOM 103 O O . ASN A 0 13 . -21.271 3.812 -10.628 1.00 57.93 13 A 1 ATOM 104 C CG . ASN A 0 13 . -21.808 1.434 -14.545 1.00 57.93 13 A 1 ATOM 105 N ND2 . ASN A 0 13 . -20.916 1.380 -15.505 1.00 57.93 13 A 1 ATOM 106 O OD1 . ASN A 0 13 . -22.942 1.057 -14.772 1.00 57.93 13 A 1 ATOM 107 N N . ASN A 0 14 . -23.287 2.784 -10.522 1.00 58.98 14 A 1 ATOM 108 C CA . ASN A 0 14 . -23.490 2.664 -9.085 1.00 58.98 14 A 1 ATOM 109 C C . ASN A 0 14 . -22.435 1.699 -8.505 1.00 58.98 14 A 1 ATOM 110 C CB . ASN A 0 14 . -24.960 2.191 -8.920 1.00 58.98 14 A 1 ATOM 111 O O . ASN A 0 14 . -22.754 0.573 -8.122 1.00 58.98 14 A 1 ATOM 112 C CG . ASN A 0 14 . -25.698 2.757 -7.726 1.00 58.98 14 A 1 ATOM 113 N ND2 . ASN A 0 14 . -26.901 2.287 -7.487 1.00 58.98 14 A 1 ATOM 114 O OD1 . ASN A 0 14 . -25.265 3.663 -7.043 1.00 58.98 14 A 1 ATOM 115 N N . LEU A 0 15 . -21.155 2.086 -8.560 1.00 63.09 15 A 1 ATOM 116 C CA . LEU A 0 15 . -20.069 1.301 -8.003 1.00 63.09 15 A 1 ATOM 117 C C . LEU A 0 15 . -20.304 1.261 -6.503 1.00 63.09 15 A 1 ATOM 118 C CB . LEU A 0 15 . -18.685 1.876 -8.357 1.00 63.09 15 A 1 ATOM 119 O O . LEU A 0 15 . -20.309 2.293 -5.834 1.00 63.09 15 A 1 ATOM 120 C CG . LEU A 0 15 . -18.246 1.693 -9.822 1.00 63.09 15 A 1 ATOM 121 C CD1 . LEU A 0 15 . -16.925 2.430 -10.045 1.00 63.09 15 A 1 ATOM 122 C CD2 . LEU A 0 15 . -18.018 0.235 -10.223 1.00 63.09 15 A 1 ATOM 123 N N . ASN A 0 16 . -20.560 0.066 -5.991 1.00 69.00 16 A 1 ATOM 124 C CA . ASN A 0 16 . -20.704 -0.114 -4.559 1.00 69.00 16 A 1 ATOM 125 C C . ASN A 0 16 . -19.345 0.123 -3.882 1.00 69.00 16 A 1 ATOM 126 C CB . ASN A 0 16 . -21.370 -1.475 -4.279 1.00 69.00 16 A 1 ATOM 127 O O . ASN A 0 16 . -18.289 -0.018 -4.504 1.00 69.00 16 A 1 ATOM 128 C CG . ASN A 0 16 . -20.654 -2.675 -4.876 1.00 69.00 16 A 1 ATOM 129 N ND2 . ASN A 0 16 . -21.352 -3.769 -5.072 1.00 69.00 16 A 1 ATOM 130 O OD1 . ASN A 0 16 . -19.469 -2.681 -5.144 1.00 69.00 16 A 1 ATOM 131 N N . ASP A 0 17 . -19.357 0.470 -2.596 1.00 71.79 17 A 1 ATOM 132 C CA . ASP A 0 17 . -18.135 0.753 -1.827 1.00 71.79 17 A 1 ATOM 133 C C . ASP A 0 17 . -17.095 -0.379 -1.942 1.00 71.79 17 A 1 ATOM 134 C CB . ASP A 0 17 . -18.514 0.968 -0.356 1.00 71.79 17 A 1 ATOM 135 O O . ASP A 0 17 . -15.887 -0.141 -1.953 1.00 71.79 17 A 1 ATOM 136 C CG . ASP A 0 17 . -19.454 2.161 -0.162 1.00 71.79 17 A 1 ATOM 137 O OD1 . ASP A 0 17 . -19.173 3.218 -0.765 1.00 71.79 17 A 1 ATOM 138 O OD2 . ASP A 0 17 . -20.463 1.977 0.551 1.00 71.79 17 A 1 ATOM 139 N N . LEU A 0 18 . -17.566 -1.618 -2.130 1.00 72.99 18 A 1 ATOM 140 C CA . LEU A 0 18 . -16.728 -2.790 -2.367 1.00 72.99 18 A 1 ATOM 141 C C . LEU A 0 18 . -15.894 -2.677 -3.653 1.00 72.99 18 A 1 ATOM 142 C CB . LEU A 0 18 . -17.638 -4.030 -2.404 1.00 72.99 18 A 1 ATOM 143 O O . LEU A 0 18 . -14.711 -3.021 -3.655 1.00 72.99 18 A 1 ATOM 144 C CG . LEU A 0 18 . -16.864 -5.358 -2.451 1.00 72.99 18 A 1 ATOM 145 C CD1 . LEU A 0 18 . -16.119 -5.618 -1.141 1.00 72.99 18 A 1 ATOM 146 C CD2 . LEU A 0 18 . -17.837 -6.512 -2.693 1.00 72.99 18 A 1 ATOM 147 N N . GLN A 0 19 . -16.478 -2.187 -4.745 1.00 71.15 19 A 1 ATOM 148 C CA . GLN A 0 19 . -15.760 -1.972 -5.998 1.00 71.15 19 A 1 ATOM 149 C C . GLN A 0 19 . -14.743 -0.839 -5.881 1.00 71.15 19 A 1 ATOM 150 C CB . GLN A 0 19 . -16.750 -1.695 -7.131 1.00 71.15 19 A 1 ATOM 151 O O . GLN A 0 19 . -13.643 -0.974 -6.413 1.00 71.15 19 A 1 ATOM 152 C CG . GLN A 0 19 . -17.435 -2.989 -7.591 1.00 71.15 19 A 1 ATOM 153 C CD . GLN A 0 19 . -18.606 -2.727 -8.526 1.00 71.15 19 A 1 ATOM 154 N NE2 . GLN A 0 19 . -18.701 -3.430 -9.634 1.00 71.15 19 A 1 ATOM 155 O OE1 . GLN A 0 19 . -19.469 -1.904 -8.292 1.00 71.15 19 A 1 ATOM 156 N N . TYR A 0 20 . -15.047 0.227 -5.136 1.00 67.44 20 A 1 ATOM 157 C CA . TYR A 0 20 . -14.065 1.277 -4.852 1.00 67.44 20 A 1 ATOM 158 C C . TYR A 0 20 . -12.857 0.733 -4.088 1.00 67.44 20 A 1 ATOM 159 C CB . TYR A 0 20 . -14.720 2.426 -4.083 1.00 67.44 20 A 1 ATOM 160 O O . TYR A 0 20 . -11.718 1.000 -4.476 1.00 67.44 20 A 1 ATOM 161 C CG . TYR A 0 20 . -15.446 3.393 -4.988 1.00 67.44 20 A 1 ATOM 162 C CD1 . TYR A 0 20 . -14.700 4.304 -5.761 1.00 67.44 20 A 1 ATOM 163 C CD2 . TYR A 0 20 . -16.852 3.386 -5.064 1.00 67.44 20 A 1 ATOM 164 C CE1 . TYR A 0 20 . -15.356 5.217 -6.606 1.00 67.44 20 A 1 ATOM 165 C CE2 . TYR A 0 20 . -17.510 4.302 -5.903 1.00 67.44 20 A 1 ATOM 166 O OH . TYR A 0 20 . -17.407 6.100 -7.484 1.00 67.44 20 A 1 ATOM 167 C CZ . TYR A 0 20 . -16.767 5.218 -6.674 1.00 67.44 20 A 1 ATOM 168 N N . ILE A 0 21 . -13.089 -0.090 -3.063 1.00 75.05 21 A 1 ATOM 169 C CA . ILE A 0 21 . -12.018 -0.757 -2.310 1.00 75.05 21 A 1 ATOM 170 C C . ILE A 0 21 . -11.226 -1.712 -3.217 1.00 75.05 21 A 1 ATOM 171 C CB . ILE A 0 21 . -12.609 -1.477 -1.077 1.00 75.05 21 A 1 ATOM 172 O O . ILE A 0 21 . -9.999 -1.756 -3.148 1.00 75.05 21 A 1 ATOM 173 C CG1 . ILE A 0 21 . -13.178 -0.449 -0.070 1.00 75.05 21 A 1 ATOM 174 C CG2 . ILE A 0 21 . -11.543 -2.348 -0.382 1.00 75.05 21 A 1 ATOM 175 C CD1 . ILE A 0 21 . -14.104 -1.072 0.983 1.00 75.05 21 A 1 ATOM 176 N N . SER A 0 22 . -11.900 -2.446 -4.106 1.00 72.65 22 A 1 ATOM 177 C CA . SER A 0 22 . -11.247 -3.360 -5.049 1.00 72.65 22 A 1 ATOM 178 C C . SER A 0 22 . -10.361 -2.621 -6.056 1.00 72.65 22 A 1 ATOM 179 C CB . SER A 0 22 . -12.303 -4.195 -5.774 1.00 72.65 22 A 1 ATOM 180 O O . SER A 0 22 . -9.207 -3.001 -6.248 1.00 72.65 22 A 1 ATOM 181 O OG . SER A 0 22 . -11.688 -5.128 -6.640 1.00 72.65 22 A 1 ATOM 182 N N . ILE A 0 23 . -10.853 -1.528 -6.646 1.00 74.93 23 A 1 ATOM 183 C CA . ILE A 0 23 . -10.077 -0.676 -7.557 1.00 74.93 23 A 1 ATOM 184 C C . ILE A 0 23 . -8.881 -0.073 -6.817 1.00 74.93 23 A 1 ATOM 185 C CB . ILE A 0 23 . -10.983 0.417 -8.168 1.00 74.93 23 A 1 ATOM 186 O O . ILE A 0 23 . -7.766 -0.080 -7.334 1.00 74.93 23 A 1 ATOM 187 C CG1 . ILE A 0 23 . -12.022 -0.217 -9.122 1.00 74.93 23 A 1 ATOM 188 C CG2 . ILE A 0 23 . -10.151 1.466 -8.934 1.00 74.93 23 A 1 ATOM 189 C CD1 . ILE A 0 23 . -13.186 0.721 -9.469 1.00 74.93 23 A 1 ATOM 190 N N . PHE A 0 24 . -9.090 0.393 -5.587 1.00 72.72 24 A 1 ATOM 191 C CA . PHE A 0 24 . -8.027 0.916 -4.737 1.00 72.72 24 A 1 ATOM 192 C C . PHE A 0 24 . -6.929 -0.126 -4.480 1.00 72.72 24 A 1 ATOM 193 C CB . PHE A 0 24 . -8.672 1.409 -3.441 1.00 72.72 24 A 1 ATOM 194 O O . PHE A 0 24 . -5.744 0.175 -4.630 1.00 72.72 24 A 1 ATOM 195 C CG . PHE A 0 24 . -7.706 1.971 -2.430 1.00 72.72 24 A 1 ATOM 196 C CD1 . PHE A 0 24 . -7.370 1.227 -1.285 1.00 72.72 24 A 1 ATOM 197 C CD2 . PHE A 0 24 . -7.197 3.269 -2.606 1.00 72.72 24 A 1 ATOM 198 C CE1 . PHE A 0 24 . -6.574 1.811 -0.286 1.00 72.72 24 A 1 ATOM 199 C CE2 . PHE A 0 24 . -6.375 3.841 -1.622 1.00 72.72 24 A 1 ATOM 200 C CZ . PHE A 0 24 . -6.082 3.119 -0.453 1.00 72.72 24 A 1 ATOM 201 N N . PHE A 0 25 . -7.305 -1.371 -4.179 1.00 72.78 25 A 1 ATOM 202 C CA . PHE A 0 25 . -6.352 -2.464 -3.992 1.00 72.78 25 A 1 ATOM 203 C C . PHE A 0 25 . -5.630 -2.847 -5.294 1.00 72.78 25 A 1 ATOM 204 C CB . PHE A 0 25 . -7.080 -3.666 -3.382 1.00 72.78 25 A 1 ATOM 205 O O . PHE A 0 25 . -4.429 -3.103 -5.282 1.00 72.78 25 A 1 ATOM 206 C CG . PHE A 0 25 . -6.127 -4.719 -2.857 1.00 72.78 25 A 1 ATOM 207 C CD1 . PHE A 0 25 . -5.769 -5.822 -3.655 1.00 72.78 25 A 1 ATOM 208 C CD2 . PHE A 0 25 . -5.572 -4.575 -1.572 1.00 72.78 25 A 1 ATOM 209 C CE1 . PHE A 0 25 . -4.866 -6.782 -3.163 1.00 72.78 25 A 1 ATOM 210 C CE2 . PHE A 0 25 . -4.669 -5.534 -1.081 1.00 72.78 25 A 1 ATOM 211 C CZ . PHE A 0 25 . -4.317 -6.638 -1.876 1.00 72.78 25 A 1 ATOM 212 N N . LEU A 0 26 . -6.321 -2.835 -6.436 1.00 72.90 26 A 1 ATOM 213 C CA . LEU A 0 26 . -5.699 -3.079 -7.742 1.00 72.90 26 A 1 ATOM 214 C C . LEU A 0 26 . -4.649 -2.013 -8.083 1.00 72.90 26 A 1 ATOM 215 C CB . LEU A 0 26 . -6.787 -3.141 -8.828 1.00 72.90 26 A 1 ATOM 216 O O . LEU A 0 26 . -3.563 -2.356 -8.550 1.00 72.90 26 A 1 ATOM 217 C CG . LEU A 0 26 . -7.604 -4.445 -8.829 1.00 72.90 26 A 1 ATOM 218 C CD1 . LEU A 0 26 . -8.812 -4.288 -9.754 1.00 72.90 26 A 1 ATOM 219 C CD2 . LEU A 0 26 . -6.775 -5.633 -9.328 1.00 72.90 26 A 1 ATOM 220 N N . ILE A 0 27 . -4.936 -0.737 -7.803 1.00 72.86 27 A 1 ATOM 221 C CA . ILE A 0 27 . -3.974 0.361 -7.979 1.00 72.86 27 A 1 ATOM 222 C C . ILE A 0 27 . -2.768 0.163 -7.056 1.00 72.86 27 A 1 ATOM 223 C CB . ILE A 0 27 . -4.660 1.730 -7.760 1.00 72.86 27 A 1 ATOM 224 O O . ILE A 0 27 . -1.632 0.315 -7.501 1.00 72.86 27 A 1 ATOM 225 C CG1 . ILE A 0 27 . -5.682 1.999 -8.890 1.00 72.86 27 A 1 ATOM 226 C CG2 . ILE A 0 27 . -3.625 2.874 -7.712 1.00 72.86 27 A 1 ATOM 227 C CD1 . ILE A 0 27 . -6.627 3.173 -8.605 1.00 72.86 27 A 1 ATOM 228 N N . LEU A 0 28 . -2.992 -0.230 -5.799 1.00 73.61 28 A 1 ATOM 229 C CA . LEU A 0 28 . -1.916 -0.532 -4.855 1.00 73.61 28 A 1 ATOM 230 C C . LEU A 0 28 . -0.982 -1.628 -5.383 1.00 73.61 28 A 1 ATOM 231 C CB . LEU A 0 28 . -2.537 -0.946 -3.513 1.00 73.61 28 A 1 ATOM 232 O O . LEU A 0 28 . 0.236 -1.456 -5.373 1.00 73.61 28 A 1 ATOM 233 C CG . LEU A 0 28 . -1.501 -1.377 -2.463 1.00 73.61 28 A 1 ATOM 234 C CD1 . LEU A 0 28 . -0.598 -0.204 -2.081 1.00 73.61 28 A 1 ATOM 235 C CD2 . LEU A 0 28 . -2.234 -2.001 -1.276 1.00 73.61 28 A 1 ATOM 236 N N . VAL A 0 29 . -1.544 -2.742 -5.858 1.00 70.33 29 A 1 ATOM 237 C CA . VAL A 0 29 . -0.764 -3.865 -6.396 1.00 70.33 29 A 1 ATOM 238 C C . VAL A 0 29 . 0.024 -3.434 -7.631 1.00 70.33 29 A 1 ATOM 239 C CB . VAL A 0 29 . -1.673 -5.070 -6.701 1.00 70.33 29 A 1 ATOM 240 O O . VAL A 0 29 . 1.203 -3.758 -7.732 1.00 70.33 29 A 1 ATOM 241 C CG1 . VAL A 0 29 . -0.930 -6.203 -7.422 1.00 70.33 29 A 1 ATOM 242 C CG2 . VAL A 0 29 . -2.233 -5.665 -5.401 1.00 70.33 29 A 1 ATOM 243 N N . ALA A 0 30 . -0.585 -2.657 -8.530 1.00 67.73 30 A 1 ATOM 244 C CA . ALA A 0 30 . 0.082 -2.159 -9.732 1.00 67.73 30 A 1 ATOM 245 C C . ALA A 0 30 . 1.257 -1.211 -9.424 1.00 67.73 30 A 1 ATOM 246 C CB . ALA A 0 30 . -0.972 -1.472 -10.609 1.00 67.73 30 A 1 ATOM 247 O O . ALA A 0 30 . 2.230 -1.178 -10.173 1.00 67.73 30 A 1 ATOM 248 N N . VAL A 0 31 . 1.182 -0.454 -8.323 1.00 67.38 31 A 1 ATOM 249 C CA . VAL A 0 31 . 2.268 0.432 -7.870 1.00 67.38 31 A 1 ATOM 250 C C . VAL A 0 31 . 3.370 -0.345 -7.141 1.00 67.38 31 A 1 ATOM 251 C CB . VAL A 0 31 . 1.705 1.578 -7.005 1.00 67.38 31 A 1 ATOM 252 O O . VAL A 0 31 . 4.544 -0.035 -7.325 1.00 67.38 31 A 1 ATOM 253 C CG1 . VAL A 0 31 . 2.804 2.450 -6.381 1.00 67.38 31 A 1 ATOM 254 C CG2 . VAL A 0 31 . 0.830 2.521 -7.845 1.00 67.38 31 A 1 ATOM 255 N N . LEU A 0 32 . 3.017 -1.352 -6.333 1.00 65.44 32 A 1 ATOM 256 C CA . LEU A 0 32 . 3.981 -2.184 -5.597 1.00 65.44 32 A 1 ATOM 257 C C . LEU A 0 32 . 4.739 -3.165 -6.498 1.00 65.44 32 A 1 ATOM 258 C CB . LEU A 0 32 . 3.238 -2.967 -4.501 1.00 65.44 32 A 1 ATOM 259 O O . LEU A 0 32 . 5.919 -3.423 -6.274 1.00 65.44 32 A 1 ATOM 260 C CG . LEU A 0 32 . 2.868 -2.131 -3.266 1.00 65.44 32 A 1 ATOM 261 C CD1 . LEU A 0 32 . 2.008 -2.976 -2.324 1.00 65.44 32 A 1 ATOM 262 C CD2 . LEU A 0 32 . 4.118 -1.691 -2.497 1.00 65.44 32 A 1 ATOM 263 N N . PHE A 0 33 . 4.063 -3.701 -7.510 1.00 68.09 33 A 1 ATOM 264 C CA . PHE A 0 33 . 4.613 -4.656 -8.464 1.00 68.09 33 A 1 ATOM 265 C C . PHE A 0 33 . 4.459 -4.094 -9.875 1.00 68.09 33 A 1 ATOM 266 C CB . PHE A 0 33 . 3.933 -6.019 -8.286 1.00 68.09 33 A 1 ATOM 267 O O . PHE A 0 33 . 3.613 -4.573 -10.639 1.00 68.09 33 A 1 ATOM 268 C CG . PHE A 0 33 . 4.118 -6.607 -6.905 1.00 68.09 33 A 1 ATOM 269 C CD1 . PHE A 0 33 . 5.300 -7.300 -6.584 1.00 68.09 33 A 1 ATOM 270 C CD2 . PHE A 0 33 . 3.118 -6.434 -5.932 1.00 68.09 33 A 1 ATOM 271 C CE1 . PHE A 0 33 . 5.475 -7.828 -5.293 1.00 68.09 33 A 1 ATOM 272 C CE2 . PHE A 0 33 . 3.293 -6.961 -4.641 1.00 68.09 33 A 1 ATOM 273 C CZ . PHE A 0 33 . 4.471 -7.661 -4.323 1.00 68.09 33 A 1 ATOM 274 N N . PRO A 0 34 . 5.247 -3.064 -10.241 1.00 64.67 34 A 1 ATOM 275 C CA . PRO A 0 34 . 5.253 -2.608 -11.616 1.00 64.67 34 A 1 ATOM 276 C C . PRO A 0 34 . 5.638 -3.800 -12.504 1.00 64.67 34 A 1 ATOM 277 C CB . PRO A 0 34 . 6.263 -1.461 -11.681 1.00 64.67 34 A 1 ATOM 278 O O . PRO A 0 34 . 6.582 -4.529 -12.176 1.00 64.67 34 A 1 ATOM 279 C CG . PRO A 0 34 . 7.219 -1.763 -10.528 1.00 64.67 34 A 1 ATOM 280 C CD . PRO A 0 34 . 6.319 -2.427 -9.486 1.00 64.67 34 A 1 ATOM 281 N N . PRO A 0 35 . 4.912 -4.048 -13.607 1.00 63.34 35 A 1 ATOM 282 C CA . PRO A 0 35 . 5.244 -5.142 -14.504 1.00 63.34 35 A 1 ATOM 283 C C . PRO A 0 35 . 6.697 -4.991 -14.966 1.00 63.34 35 A 1 ATOM 284 C CB . PRO A 0 35 . 4.224 -5.070 -15.645 1.00 63.34 35 A 1 ATOM 285 O O . PRO A 0 35 . 7.137 -3.899 -15.332 1.00 63.34 35 A 1 ATOM 286 C CG . PRO A 0 35 . 3.730 -3.622 -15.609 1.00 63.34 35 A 1 ATOM 287 C CD . PRO A 0 35 . 3.819 -3.252 -14.133 1.00 63.34 35 A 1 ATOM 288 N N . SER A 0 36 . 7.450 -6.090 -14.922 1.00 58.18 36 A 1 ATOM 289 C CA . SER A 0 36 . 8.844 -6.152 -15.365 1.00 58.18 36 A 1 ATOM 290 C C . SER A 0 36 . 8.945 -5.651 -16.810 1.00 58.18 36 A 1 ATOM 291 C CB . SER A 0 36 . 9.345 -7.598 -15.242 1.00 58.18 36 A 1 ATOM 292 O O . SER A 0 36 . 8.491 -6.331 -17.728 1.00 58.18 36 A 1 ATOM 293 O OG . SER A 0 36 . 8.429 -8.489 -15.850 1.00 58.18 36 A 1 ATOM 294 N N . GLY A 0 37 . 9.479 -4.441 -16.997 1.00 58.07 37 A 1 ATOM 295 C CA . GLY A 0 37 . 9.480 -3.725 -18.280 1.00 58.07 37 A 1 ATOM 296 C C . GLY A 0 37 . 8.937 -2.294 -18.213 1.00 58.07 37 A 1 ATOM 297 O O . GLY A 0 37 . 9.039 -1.566 -19.196 1.00 58.07 37 A 1 ATOM 298 N N . PHE A 0 38 . 8.391 -1.860 -17.071 1.00 61.41 38 A 1 ATOM 299 C CA . PHE A 0 38 . 8.017 -0.463 -16.859 1.00 61.41 38 A 1 ATOM 300 C C . PHE A 0 38 . 9.245 0.359 -16.435 1.00 61.41 38 A 1 ATOM 301 C CB . PHE A 0 38 . 6.833 -0.375 -15.883 1.00 61.41 38 A 1 ATOM 302 O O . PHE A 0 38 . 9.669 0.335 -15.279 1.00 61.41 38 A 1 ATOM 303 C CG . PHE A 0 38 . 5.881 0.757 -16.212 1.00 61.41 38 A 1 ATOM 304 C CD1 . PHE A 0 38 . 6.000 2.006 -15.576 1.00 61.41 38 A 1 ATOM 305 C CD2 . PHE A 0 38 . 4.877 0.559 -17.179 1.00 61.41 38 A 1 ATOM 306 C CE1 . PHE A 0 38 . 5.105 3.045 -15.892 1.00 61.41 38 A 1 ATOM 307 C CE2 . PHE A 0 38 . 3.987 1.598 -17.500 1.00 61.41 38 A 1 ATOM 308 C CZ . PHE A 0 38 . 4.097 2.841 -16.852 1.00 61.41 38 A 1 ATOM 309 N N . GLU A 0 39 . 9.853 1.057 -17.392 1.00 56.41 39 A 1 ATOM 310 C CA . GLU A 0 39 . 10.960 1.983 -17.145 1.00 56.41 39 A 1 ATOM 311 C C . GLU A 0 39 . 10.481 3.162 -16.266 1.00 56.41 39 A 1 ATOM 312 C CB . GLU A 0 39 . 11.531 2.478 -18.490 1.00 56.41 39 A 1 ATOM 313 O O . GLU A 0 39 . 9.449 3.774 -16.564 1.00 56.41 39 A 1 ATOM 314 C CG . GLU A 0 39 . 13.009 2.105 -18.679 1.00 56.41 39 A 1 ATOM 315 C CD . GLU A 0 39 . 13.604 2.664 -19.985 1.00 56.41 39 A 1 ATOM 316 O OE1 . GLU A 0 39 . 14.844 2.834 -20.016 1.00 56.41 39 A 1 ATOM 317 O OE2 . GLU A 0 39 . 12.829 2.927 -20.931 1.00 56.41 39 A 1 ATOM 318 N N . PRO A 0 40 . 11.190 3.526 -15.179 1.00 54.72 40 A 1 ATOM 319 C CA . PRO A 0 40 . 10.801 4.625 -14.299 1.00 54.72 40 A 1 ATOM 320 C C . PRO A 0 40 . 11.131 5.993 -14.931 1.00 54.72 40 A 1 ATOM 321 C CB . PRO A 0 40 . 11.518 4.338 -12.972 1.00 54.72 40 A 1 ATOM 322 O O . PRO A 0 40 . 11.948 6.756 -14.424 1.00 54.72 40 A 1 ATOM 323 C CG . PRO A 0 40 . 12.784 3.605 -13.400 1.00 54.72 40 A 1 ATOM 324 C CD . PRO A 0 40 . 12.346 2.826 -14.638 1.00 54.72 40 A 1 ATOM 325 N N . THR A 0 41 . 10.497 6.347 -16.050 1.00 55.15 41 A 1 ATOM 326 C CA . THR A 0 41 . 10.684 7.642 -16.726 1.00 55.15 41 A 1 ATOM 327 C C . THR A 0 41 . 9.786 8.703 -16.100 1.00 55.15 41 A 1 ATOM 328 C CB . THR A 0 41 . 10.376 7.536 -18.231 1.00 55.15 41 A 1 ATOM 329 O O . THR A 0 41 . 8.600 8.717 -16.407 1.00 55.15 41 A 1 ATOM 330 C CG2 . THR A 0 41 . 11.434 6.729 -18.972 1.00 55.15 41 A 1 ATOM 331 O OG1 . THR A 0 41 . 9.118 6.937 -18.442 1.00 55.15 41 A 1 ATOM 332 N N . ALA A 0 42 . 10.322 9.575 -15.230 1.00 55.25 42 A 1 ATOM 333 C CA . ALA A 0 42 . 9.659 10.707 -14.533 1.00 55.25 42 A 1 ATOM 334 C C . ALA A 0 42 . 8.431 10.366 -13.644 1.00 55.25 42 A 1 ATOM 335 C CB . ALA A 0 42 . 9.351 11.811 -15.555 1.00 55.25 42 A 1 ATOM 336 O O . ALA A 0 42 . 8.240 10.955 -12.575 1.00 55.25 42 A 1 ATOM 337 N N . ASN A 0 43 . 7.665 9.348 -14.019 1.00 59.96 43 A 1 ATOM 338 C CA . ASN A 0 43 . 6.505 8.784 -13.356 1.00 59.96 43 A 1 ATOM 339 C C . ASN A 0 43 . 6.856 8.117 -12.030 1.00 59.96 43 A 1 ATOM 340 C CB . ASN A 0 43 . 5.850 7.774 -14.318 1.00 59.96 43 A 1 ATOM 341 O O . ASN A 0 43 . 5.980 8.026 -11.186 1.00 59.96 43 A 1 ATOM 342 C CG . ASN A 0 43 . 5.196 8.428 -15.524 1.00 59.96 43 A 1 ATOM 343 N ND2 . ASN A 0 43 . 4.758 7.644 -16.480 1.00 59.96 43 A 1 ATOM 344 O OD1 . ASN A 0 43 . 5.057 9.634 -15.622 1.00 59.96 43 A 1 ATOM 345 N N . ALA A 0 44 . 8.112 7.727 -11.783 1.00 60.40 44 A 1 ATOM 346 C CA . ALA A 0 44 . 8.507 7.186 -10.481 1.00 60.40 44 A 1 ATOM 347 C C . ALA A 0 44 . 8.295 8.194 -9.341 1.00 60.40 44 A 1 ATOM 348 C CB . ALA A 0 44 . 9.959 6.721 -10.555 1.00 60.40 44 A 1 ATOM 349 O O . ALA A 0 44 . 7.865 7.807 -8.259 1.00 60.40 44 A 1 ATOM 350 N N . SER A 0 45 . 8.510 9.493 -9.594 1.00 65.79 45 A 1 ATOM 351 C CA . SER A 0 45 . 8.235 10.542 -8.603 1.00 65.79 45 A 1 ATOM 352 C C . SER A 0 45 . 6.739 10.656 -8.288 1.00 65.79 45 A 1 ATOM 353 C CB . SER A 0 45 . 8.788 11.889 -9.084 1.00 65.79 45 A 1 ATOM 354 O O . SER A 0 45 . 6.349 10.841 -7.137 1.00 65.79 45 A 1 ATOM 355 O OG . SER A 0 45 . 8.054 12.414 -10.178 1.00 65.79 45 A 1 ATOM 356 N N . VAL A 0 46 . 5.893 10.488 -9.306 1.00 64.81 46 A 1 ATOM 357 C CA . VAL A 0 46 . 4.434 10.506 -9.180 1.00 64.81 46 A 1 ATOM 358 C C . VAL A 0 46 . 3.944 9.232 -8.493 1.00 64.81 46 A 1 ATOM 359 C CB . VAL A 0 46 . 3.773 10.713 -10.556 1.00 64.81 46 A 1 ATOM 360 O O . VAL A 0 46 . 3.159 9.321 -7.556 1.00 64.81 46 A 1 ATOM 361 C CG1 . VAL A 0 46 . 2.246 10.738 -10.450 1.00 64.81 46 A 1 ATOM 362 C CG2 . VAL A 0 46 . 4.225 12.038 -11.188 1.00 64.81 46 A 1 ATOM 363 N N . CYS A 0 47 . 4.458 8.062 -8.878 1.00 62.13 47 A 1 ATOM 364 C CA . CYS A 0 47 . 4.177 6.780 -8.233 1.00 62.13 47 A 1 ATOM 365 C C . CYS A 0 47 . 4.562 6.806 -6.754 1.00 62.13 47 A 1 ATOM 366 C CB . CYS A 0 47 . 4.940 5.662 -8.958 1.00 62.13 47 A 1 ATOM 367 O O . CYS A 0 47 . 3.766 6.389 -5.921 1.00 62.13 47 A 1 ATOM 368 S SG . CYS A 0 47 . 4.266 5.389 -10.622 1.00 62.13 47 A 1 ATOM 369 N N . TYR A 0 48 . 5.731 7.360 -6.417 1.00 65.40 48 A 1 ATOM 370 C CA . TYR A 0 48 . 6.168 7.511 -5.031 1.00 65.40 48 A 1 ATOM 371 C C . TYR A 0 48 . 5.228 8.430 -4.239 1.00 65.40 48 A 1 ATOM 372 C CB . TYR A 0 48 . 7.618 8.009 -5.004 1.00 65.40 48 A 1 ATOM 373 O O . TYR A 0 48 . 4.814 8.076 -3.141 1.00 65.40 48 A 1 ATOM 374 C CG . TYR A 0 48 . 8.172 8.116 -3.600 1.00 65.40 48 A 1 ATOM 375 C CD1 . TYR A 0 48 . 8.132 9.349 -2.925 1.00 65.40 48 A 1 ATOM 376 C CD2 . TYR A 0 48 . 8.665 6.969 -2.947 1.00 65.40 48 A 1 ATOM 377 C CE1 . TYR A 0 48 . 8.556 9.430 -1.589 1.00 65.40 48 A 1 ATOM 378 C CE2 . TYR A 0 48 . 9.086 7.049 -1.604 1.00 65.40 48 A 1 ATOM 379 O OH . TYR A 0 48 . 9.272 8.332 0.414 1.00 65.40 48 A 1 ATOM 380 C CZ . TYR A 0 48 . 9.000 8.275 -0.913 1.00 65.40 48 A 1 ATOM 381 N N . ARG A 0 49 . 4.792 9.559 -4.814 1.00 69.17 49 A 1 ATOM 382 C CA . ARG A 0 49 . 3.812 10.452 -4.167 1.00 69.17 49 A 1 ATOM 383 C C . ARG A 0 49 . 2.443 9.803 -3.975 1.00 69.17 49 A 1 ATOM 384 C CB . ARG A 0 49 . 3.656 11.743 -4.973 1.00 69.17 49 A 1 ATOM 385 O O . ARG A 0 49 . 1.829 9.979 -2.928 1.00 69.17 49 A 1 ATOM 386 C CG . ARG A 0 49 . 4.856 12.672 -4.782 1.00 69.17 49 A 1 ATOM 387 C CD . ARG A 0 49 . 4.627 13.954 -5.584 1.00 69.17 49 A 1 ATOM 388 N NE . ARG A 0 49 . 5.762 14.879 -5.426 1.00 69.17 49 A 1 ATOM 389 N NH1 . ARG A 0 49 . 4.597 16.860 -5.510 1.00 69.17 49 A 1 ATOM 390 N NH2 . ARG A 0 49 . 6.816 16.885 -5.272 1.00 69.17 49 A 1 ATOM 391 C CZ . ARG A 0 49 . 5.717 16.198 -5.404 1.00 69.17 49 A 1 ATOM 392 N N . ILE A 0 50 . 1.962 9.058 -4.970 1.00 69.35 50 A 1 ATOM 393 C CA . ILE A 0 50 . 0.709 8.297 -4.869 1.00 69.35 50 A 1 ATOM 394 C C . ILE A 0 50 . 0.840 7.223 -3.784 1.00 69.35 50 A 1 ATOM 395 C CB . ILE A 0 50 . 0.320 7.704 -6.245 1.00 69.35 50 A 1 ATOM 396 O O . ILE A 0 50 . -0.087 7.033 -3.003 1.00 69.35 50 A 1 ATOM 397 C CG1 . ILE A 0 50 . -0.079 8.839 -7.218 1.00 69.35 50 A 1 ATOM 398 C CG2 . ILE A 0 50 . -0.843 6.700 -6.116 1.00 69.35 50 A 1 ATOM 399 C CD1 . ILE A 0 50 . -0.207 8.385 -8.678 1.00 69.35 50 A 1 ATOM 400 N N . PHE A 0 51 . 1.997 6.567 -3.689 1.00 70.61 51 A 1 ATOM 401 C CA . PHE A 0 51 . 2.288 5.572 -2.663 1.00 70.61 51 A 1 ATOM 402 C C . PHE A 0 51 . 2.366 6.178 -1.252 1.00 70.61 51 A 1 ATOM 403 C CB . PHE A 0 51 . 3.584 4.851 -3.039 1.00 70.61 51 A 1 ATOM 404 O O . PHE A 0 51 . 1.765 5.641 -0.323 1.00 70.61 51 A 1 ATOM 405 C CG . PHE A 0 51 . 3.961 3.771 -2.055 1.00 70.61 51 A 1 ATOM 406 C CD1 . PHE A 0 51 . 5.006 3.981 -1.137 1.00 70.61 51 A 1 ATOM 407 C CD2 . PHE A 0 51 . 3.237 2.566 -2.037 1.00 70.61 51 A 1 ATOM 408 C CE1 . PHE A 0 51 . 5.344 2.971 -0.222 1.00 70.61 51 A 1 ATOM 409 C CE2 . PHE A 0 51 . 3.555 1.572 -1.099 1.00 70.61 51 A 1 ATOM 410 C CZ . PHE A 0 51 . 4.617 1.768 -0.199 1.00 70.61 51 A 1 ATOM 411 N N . GLU A 0 52 . 3.030 7.322 -1.074 1.00 68.56 52 A 1 ATOM 412 C CA . GLU A 0 52 . 3.047 8.042 0.207 1.00 68.56 52 A 1 ATOM 413 C C . GLU A 0 52 . 1.641 8.483 0.625 1.00 68.56 52 A 1 ATOM 414 C CB . GLU A 0 52 . 3.958 9.275 0.135 1.00 68.56 52 A 1 ATOM 415 O O . GLU A 0 52 . 1.248 8.294 1.779 1.00 68.56 52 A 1 ATOM 416 C CG . GLU A 0 52 . 5.443 8.917 0.264 1.00 68.56 52 A 1 ATOM 417 C CD . GLU A 0 52 . 6.315 10.167 0.462 1.00 68.56 52 A 1 ATOM 418 O OE1 . GLU A 0 52 . 7.323 10.058 1.204 1.00 68.56 52 A 1 ATOM 419 O OE2 . GLU A 0 52 . 6.018 11.212 -0.163 1.00 68.56 52 A 1 ATOM 420 N N . LEU A 0 53 . 0.852 9.008 -0.317 1.00 72.40 53 A 1 ATOM 421 C CA . LEU A 0 53 . -0.543 9.365 -0.073 1.00 72.40 53 A 1 ATOM 422 C C . LEU A 0 53 . -1.368 8.132 0.318 1.00 72.40 53 A 1 ATOM 423 C CB . LEU A 0 53 . -1.104 10.060 -1.326 1.00 72.40 53 A 1 ATOM 424 O O . LEU A 0 53 . -2.138 8.187 1.275 1.00 72.40 53 A 1 ATOM 425 C CG . LEU A 0 53 . -2.530 10.609 -1.146 1.00 72.40 53 A 1 ATOM 426 C CD1 . LEU A 0 53 . -2.576 11.763 -0.141 1.00 72.40 53 A 1 ATOM 427 C CD2 . LEU A 0 53 . -3.051 11.120 -2.489 1.00 72.40 53 A 1 ATOM 428 N N . PHE A 0 54 . -1.164 7.004 -0.366 1.00 69.73 54 A 1 ATOM 429 C CA . PHE A 0 54 . -1.802 5.728 -0.050 1.00 69.73 54 A 1 ATOM 430 C C . PHE A 0 54 . -1.460 5.253 1.368 1.00 69.73 54 A 1 ATOM 431 C CB . PHE A 0 54 . -1.401 4.679 -1.101 1.00 69.73 54 A 1 ATOM 432 O O . PHE A 0 54 . -2.359 4.850 2.109 1.00 69.73 54 A 1 ATOM 433 C CG . PHE A 0 54 . -1.866 3.285 -0.745 1.00 69.73 54 A 1 ATOM 434 C CD1 . PHE A 0 54 . -1.124 2.502 0.162 1.00 69.73 54 A 1 ATOM 435 C CD2 . PHE A 0 54 . -3.064 2.785 -1.277 1.00 69.73 54 A 1 ATOM 436 C CE1 . PHE A 0 54 . -1.652 1.295 0.646 1.00 69.73 54 A 1 ATOM 437 C CE2 . PHE A 0 54 . -3.547 1.539 -0.850 1.00 69.73 54 A 1 ATOM 438 C CZ . PHE A 0 54 . -2.890 0.838 0.172 1.00 69.73 54 A 1 ATOM 439 N N . LEU A 0 55 . -0.187 5.310 1.774 1.00 67.16 55 A 1 ATOM 440 C CA . LEU A 0 55 . 0.243 4.922 3.120 1.00 67.16 55 A 1 ATOM 441 C C . LEU A 0 55 . -0.363 5.840 4.184 1.00 67.16 55 A 1 ATOM 442 C CB . LEU A 0 55 . 1.778 4.956 3.214 1.00 67.16 55 A 1 ATOM 443 O O . LEU A 0 55 . -0.819 5.360 5.223 1.00 67.16 55 A 1 ATOM 444 C CG . LEU A 0 55 . 2.515 3.789 2.535 1.00 67.16 55 A 1 ATOM 445 C CD1 . LEU A 0 55 . 4.016 4.021 2.705 1.00 67.16 55 A 1 ATOM 446 C CD2 . LEU A 0 55 . 2.170 2.436 3.165 1.00 67.16 55 A 1 ATOM 447 N N . HIS A 0 56 . -0.422 7.145 3.918 1.00 72.37 56 A 1 ATOM 448 C CA . HIS A 0 56 . -1.048 8.111 4.815 1.00 72.37 56 A 1 ATOM 449 C C . HIS A 0 56 . -2.557 7.854 4.961 1.00 72.37 56 A 1 ATOM 450 C CB . HIS A 0 56 . -0.750 9.526 4.307 1.00 72.37 56 A 1 ATOM 451 O O . HIS A 0 56 . -3.077 7.820 6.080 1.00 72.37 56 A 1 ATOM 452 C CG . HIS A 0 56 . -1.168 10.580 5.295 1.00 72.37 56 A 1 ATOM 453 C CD2 . HIS A 0 56 . -0.413 11.074 6.324 1.00 72.37 56 A 1 ATOM 454 N ND1 . HIS A 0 56 . -2.398 11.191 5.362 1.00 72.37 56 A 1 ATOM 455 C CE1 . HIS A 0 56 . -2.385 12.032 6.410 1.00 72.37 56 A 1 ATOM 456 N NE2 . HIS A 0 56 . -1.197 11.987 7.034 1.00 72.37 56 A 1 ATOM 457 N N . CYS A 0 57 . -3.255 7.591 3.852 1.00 69.13 57 A 1 ATOM 458 C CA . CYS A 0 57 . -4.665 7.202 3.855 1.00 69.13 57 A 1 ATOM 459 C C . CYS A 0 57 . -4.886 5.879 4.595 1.00 69.13 57 A 1 ATOM 460 C CB . CYS A 0 57 . -5.175 7.115 2.411 1.00 69.13 57 A 1 ATOM 461 O O . CYS A 0 57 . -5.765 5.802 5.446 1.00 69.13 57 A 1 ATOM 462 S SG . CYS A 0 57 . -5.450 8.784 1.752 1.00 69.13 57 A 1 ATOM 463 N N . SER A 0 58 . -4.057 4.867 4.344 1.00 68.30 58 A 1 ATOM 464 C CA . SER A 0 58 . -4.157 3.557 4.997 1.00 68.30 58 A 1 ATOM 465 C C . SER A 0 58 . -3.897 3.642 6.496 1.00 68.30 58 A 1 ATOM 466 C CB . SER A 0 58 . -3.176 2.566 4.372 1.00 68.30 58 A 1 ATOM 467 O O . SER A 0 58 . -4.601 3.005 7.272 1.00 68.30 58 A 1 ATOM 468 O OG . SER A 0 58 . -3.486 2.384 3.010 1.00 68.30 58 A 1 ATOM 469 N N . LYS A 0 59 . -2.944 4.476 6.934 1.00 71.94 59 A 1 ATOM 470 C CA . LYS A 0 59 . -2.713 4.751 8.358 1.00 71.94 59 A 1 ATOM 471 C C . LYS A 0 59 . -3.924 5.428 8.995 1.00 71.94 59 A 1 ATOM 472 C CB . LYS A 0 59 . -1.439 5.593 8.517 1.00 71.94 59 A 1 ATOM 473 O O . LYS A 0 59 . -4.297 5.071 10.107 1.00 71.94 59 A 1 ATOM 474 C CG . LYS A 0 59 . -1.060 5.769 9.995 1.00 71.94 59 A 1 ATOM 475 C CD . LYS A 0 59 . 0.240 6.566 10.135 1.00 71.94 59 A 1 ATOM 476 C CE . LYS A 0 59 . 0.596 6.702 11.619 1.00 71.94 59 A 1 ATOM 477 N NZ . LYS A 0 59 . 1.844 7.483 11.810 1.00 71.94 59 A 1 ATOM 478 N N . SER A 0 60 . -4.553 6.371 8.291 1.00 71.75 60 A 1 ATOM 479 C CA . SER A 0 60 . -5.789 7.000 8.758 1.00 71.75 60 A 1 ATOM 480 C C . SER A 0 60 . -6.916 5.971 8.876 1.00 71.75 60 A 1 ATOM 481 C CB . SER A 0 60 . -6.180 8.168 7.849 1.00 71.75 60 A 1 ATOM 482 O O . SER A 0 60 . -7.499 5.854 9.947 1.00 71.75 60 A 1 ATOM 483 O OG . SER A 0 60 . -7.270 8.879 8.403 1.00 71.75 60 A 1 ATOM 484 N N . VAL A 0 61 . -7.166 5.162 7.841 1.00 65.14 61 A 1 ATOM 485 C CA . VAL A 0 61 . -8.198 4.105 7.842 1.00 65.14 61 A 1 ATOM 486 C C . VAL A 0 61 . -7.928 3.046 8.913 1.00 65.14 61 A 1 ATOM 487 C CB . VAL A 0 61 . -8.327 3.460 6.447 1.00 65.14 61 A 1 ATOM 488 O O . VAL A 0 61 . -8.849 2.654 9.620 1.00 65.14 61 A 1 ATOM 489 C CG1 . VAL A 0 61 . -9.303 2.276 6.438 1.00 65.14 61 A 1 ATOM 490 C CG2 . VAL A 0 61 . -8.853 4.476 5.423 1.00 65.14 61 A 1 ATOM 491 N N . GLY A 0 62 . -6.674 2.626 9.093 1.00 66.60 62 A 1 ATOM 492 C CA . GLY A 0 62 . -6.275 1.710 10.163 1.00 66.60 62 A 1 ATOM 493 C C . GLY A 0 62 . -6.538 2.290 11.554 1.00 66.60 62 A 1 ATOM 494 O O . GLY A 0 62 . -7.009 1.579 12.436 1.00 66.60 62 A 1 ATOM 495 N N . ASN A 0 63 . -6.322 3.596 11.732 1.00 65.92 63 A 1 ATOM 496 C CA . ASN A 0 63 . -6.661 4.299 12.968 1.00 65.92 63 A 1 ATOM 497 C C . ASN A 0 63 . -8.184 4.385 13.192 1.00 65.92 63 A 1 ATOM 498 C CB . ASN A 0 63 . -5.994 5.682 12.930 1.00 65.92 63 A 1 ATOM 499 O O . ASN A 0 63 . -8.645 4.195 14.312 1.00 65.92 63 A 1 ATOM 500 C CG . ASN A 0 63 . -6.001 6.347 14.289 1.00 65.92 63 A 1 ATOM 501 N ND2 . ASN A 0 63 . -6.555 7.530 14.409 1.00 65.92 63 A 1 ATOM 502 O OD1 . ASN A 0 63 . -5.471 5.832 15.253 1.00 65.92 63 A 1 ATOM 503 N N . TRP A 0 64 . -8.973 4.610 12.134 1.00 52.66 64 A 1 ATOM 504 C CA . TRP A 0 64 . -10.441 4.565 12.206 1.00 52.66 64 A 1 ATOM 505 C C . TRP A 0 64 . -10.961 3.164 12.546 1.00 52.66 64 A 1 ATOM 506 C CB . TRP A 0 64 . -11.060 5.058 10.890 1.00 52.66 64 A 1 ATOM 507 O O . TRP A 0 64 . -11.867 3.034 13.361 1.00 52.66 64 A 1 ATOM 508 C CG . TRP A 0 64 . -10.885 6.518 10.608 1.00 52.66 64 A 1 ATOM 509 C CD1 . TRP A 0 64 . -10.131 7.059 9.627 1.00 52.66 64 A 1 ATOM 510 C CD2 . TRP A 0 64 . -11.532 7.646 11.266 1.00 52.66 64 A 1 ATOM 511 C CE2 . TRP A 0 64 . -11.062 8.853 10.664 1.00 52.66 64 A 1 ATOM 512 C CE3 . TRP A 0 64 . -12.495 7.766 12.288 1.00 52.66 64 A 1 ATOM 513 N NE1 . TRP A 0 64 . -10.184 8.434 9.689 1.00 52.66 64 A 1 ATOM 514 C CH2 . TRP A 0 64 . -12.478 10.202 12.082 1.00 52.66 64 A 1 ATOM 515 C CZ2 . TRP A 0 64 . -11.514 10.117 11.063 1.00 52.66 64 A 1 ATOM 516 C CZ3 . TRP A 0 64 . -12.967 9.031 12.688 1.00 52.66 64 A 1 ATOM 517 N N . MET A 0 65 . -10.361 2.118 11.974 1.00 54.47 65 A 1 ATOM 518 C CA . MET A 0 65 . -10.683 0.724 12.299 1.00 54.47 65 A 1 ATOM 519 C C . MET A 0 65 . -10.339 0.376 13.752 1.00 54.47 65 A 1 ATOM 520 C CB . MET A 0 65 . -9.943 -0.216 11.334 1.00 54.47 65 A 1 ATOM 521 O O . MET A 0 65 . -11.096 -0.343 14.394 1.00 54.47 65 A 1 ATOM 522 C CG . MET A 0 65 . -10.689 -0.401 10.010 1.00 54.47 65 A 1 ATOM 523 S SD . MET A 0 65 . -12.124 -1.506 10.145 1.00 54.47 65 A 1 ATOM 524 C CE . MET A 0 65 . -12.598 -1.642 8.403 1.00 54.47 65 A 1 ATOM 525 N N . MET A 0 66 . -9.238 0.906 14.295 1.00 58.88 66 A 1 ATOM 526 C CA . MET A 0 66 . -8.852 0.675 15.691 1.00 58.88 66 A 1 ATOM 527 C C . MET A 0 66 . -9.772 1.385 16.700 1.00 58.88 66 A 1 ATOM 528 C CB . MET A 0 66 . -7.374 1.055 15.873 1.00 58.88 66 A 1 ATOM 529 O O . MET A 0 66 . -9.887 0.917 17.822 1.00 58.88 66 A 1 ATOM 530 C CG . MET A 0 66 . -6.823 0.632 17.240 1.00 58.88 66 A 1 ATOM 531 S SD . MET A 0 66 . -5.010 0.574 17.318 1.00 58.88 66 A 1 ATOM 532 C CE . MET A 0 66 . -4.816 0.054 19.043 1.00 58.88 66 A 1 ATOM 533 N N . LEU A 0 67 . -10.456 2.467 16.309 1.00 52.39 67 A 1 ATOM 534 C CA . LEU A 0 67 . -11.467 3.149 17.135 1.00 52.39 67 A 1 ATOM 535 C C . LEU A 0 67 . -12.814 2.408 17.213 1.00 52.39 67 A 1 ATOM 536 C CB . LEU A 0 67 . -11.675 4.577 16.585 1.00 52.39 67 A 1 ATOM 537 O O . LEU A 0 67 . -13.655 2.776 18.029 1.00 52.39 67 A 1 ATOM 538 C CG . LEU A 0 67 . -10.698 5.610 17.168 1.00 52.39 67 A 1 ATOM 539 C CD1 . LEU A 0 67 . -10.655 6.850 16.272 1.00 52.39 67 A 1 ATOM 540 C CD2 . LEU A 0 67 . -11.128 6.055 18.570 1.00 52.39 67 A 1 ATOM 541 N N . LEU A 0 68 . -13.042 1.409 16.354 1.00 54.30 68 A 1 ATOM 542 C CA . LEU A 0 68 . -14.289 0.635 16.316 1.00 54.30 68 A 1 ATOM 543 C C . LEU A 0 68 . -14.269 -0.622 17.210 1.00 54.30 68 A 1 ATOM 544 C CB . LEU A 0 68 . -14.653 0.328 14.846 1.00 54.30 68 A 1 ATOM 545 O O . LEU A 0 68 . -15.280 -1.322 17.261 1.00 54.30 68 A 1 ATOM 546 C CG . LEU A 0 68 . -15.209 1.539 14.071 1.00 54.30 68 A 1 ATOM 547 C CD1 . LEU A 0 68 . -15.277 1.214 12.576 1.00 54.30 68 A 1 ATOM 548 C CD2 . LEU A 0 68 . -16.625 1.915 14.524 1.00 54.30 68 A 1 ATOM 549 N N . PHE A 0 69 . -13.173 -0.887 17.930 1.00 45.01 69 A 1 ATOM 550 C CA . PHE A 0 69 . -13.040 -1.964 18.921 1.00 45.01 69 A 1 ATOM 551 C C . PHE A 0 69 . -12.731 -1.399 20.308 1.00 45.01 69 A 1 ATOM 552 C CB . PHE A 0 69 . -11.948 -2.948 18.480 1.00 45.01 69 A 1 ATOM 553 O O . PHE A 0 69 . -13.248 -1.979 21.290 1.00 45.01 69 A 1 ATOM 554 C CG . PHE A 0 69 . -12.310 -3.792 17.275 1.00 45.01 69 A 1 ATOM 555 C CD1 . PHE A 0 69 . -13.147 -4.910 17.435 1.00 45.01 69 A 1 ATOM 556 C CD2 . PHE A 0 69 . -11.813 -3.467 16.000 1.00 45.01 69 A 1 ATOM 557 C CE1 . PHE A 0 69 . -13.479 -5.710 16.326 1.00 45.01 69 A 1 ATOM 558 C CE2 . PHE A 0 69 . -12.143 -4.265 14.890 1.00 45.01 69 A 1 ATOM 559 C CZ . PHE A 0 69 . -12.974 -5.389 15.054 1.00 45.01 69 A 1 ATOM 560 O OXT . PHE A 0 69 . -11.960 -0.418 20.355 1.00 45.01 69 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 62.22 # loop_ _atom_type.symbol C N O S #