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 LYS 0 3 ILE 0 4 LEU 0 5 PHE 0 6 ILE 0 7 LEU 0 8 PHE 0 9 ILE 0 10 ILE 0 11 ILE 0 12 ILE 0 13 ILE 0 14 ILE 0 15 TYR 0 16 TYR 0 17 ASN 0 18 HIS 0 19 THR 0 20 LEU 0 21 ILE 0 22 ASP 0 23 GLY 0 24 SER 0 25 GLY 0 26 SER 0 27 PHE 0 28 PRO 0 29 ASN 0 30 ARG 0 31 THR 0 32 LEU 0 33 ILE 0 34 ASN 0 35 THR 0 36 THR 0 37 ASN 0 38 THR 0 39 GLU 0 40 SER 0 41 THR 0 42 GLU 0 43 SER 0 44 SER 0 45 LEU 0 46 LYS 0 47 SER 0 48 GLN 0 49 LEU 0 50 PRO 0 51 GLU 0 52 ALA 0 53 GLN 0 54 PRO 0 55 THR 0 56 SER 0 57 LEU 0 58 MET 0 59 LYS 0 60 GLN 0 61 SER 0 62 HIS 0 63 PHE 0 64 SER 0 65 SER 0 66 ALA 0 67 TYR 0 68 LYS 0 69 PHE 0 70 PHE 0 71 ARG 0 72 THR 0 73 TRP 0 74 PHE 0 75 VAL 0 76 PHE 0 77 LEU 0 78 MET 0 79 PRO 0 80 GLN 0 81 ILE 0 82 CYS 0 83 LYS 0 84 LEU 0 85 VAL 0 86 THR 0 87 ILE 0 88 LEU 0 89 SER 0 90 GLU 0 91 PHE 0 92 ILE 0 93 LYS # 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 . -12.610 -6.750 15.896 1.00 59.77 1 A 1 ATOM 2 C CA . MET A 0 1 . -12.196 -5.926 14.735 1.00 59.77 1 A 1 ATOM 3 C C . MET A 0 1 . -11.090 -4.897 15.025 1.00 59.77 1 A 1 ATOM 4 C CB . MET A 0 1 . -13.410 -5.300 14.026 1.00 59.77 1 A 1 ATOM 5 O O . MET A 0 1 . -10.388 -4.549 14.092 1.00 59.77 1 A 1 ATOM 6 C CG . MET A 0 1 . -14.380 -6.370 13.497 1.00 59.77 1 A 1 ATOM 7 S SD . MET A 0 1 . -13.585 -7.678 12.524 1.00 59.77 1 A 1 ATOM 8 C CE . MET A 0 1 . -15.044 -8.552 11.884 1.00 59.77 1 A 1 ATOM 9 N N . LYS A 0 2 . -10.845 -4.452 16.275 1.00 68.36 2 A 1 ATOM 10 C CA . LYS A 0 2 . -9.768 -3.477 16.592 1.00 68.36 2 A 1 ATOM 11 C C . LYS A 0 2 . -8.349 -4.086 16.677 1.00 68.36 2 A 1 ATOM 12 C CB . LYS A 0 2 . -10.133 -2.684 17.868 1.00 68.36 2 A 1 ATOM 13 O O . LYS A 0 2 . -7.377 -3.435 16.322 1.00 68.36 2 A 1 ATOM 14 C CG . LYS A 0 2 . -11.534 -2.035 17.796 1.00 68.36 2 A 1 ATOM 15 C CD . LYS A 0 2 . -11.840 -1.067 18.961 1.00 68.36 2 A 1 ATOM 16 C CE . LYS A 0 2 . -13.089 -0.221 18.639 1.00 68.36 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -13.501 0.672 19.754 1.00 68.36 2 A 1 ATOM 18 N N . ILE A 0 3 . -8.234 -5.360 17.068 1.00 76.30 3 A 1 ATOM 19 C CA . ILE A 0 3 . -6.946 -6.083 17.190 1.00 76.30 3 A 1 ATOM 20 C C . ILE A 0 3 . -6.223 -6.245 15.843 1.00 76.30 3 A 1 ATOM 21 C CB . ILE A 0 3 . -7.204 -7.438 17.889 1.00 76.30 3 A 1 ATOM 22 O O . ILE A 0 3 . -5.012 -6.066 15.777 1.00 76.30 3 A 1 ATOM 23 C CG1 . ILE A 0 3 . -7.473 -7.198 19.395 1.00 76.30 3 A 1 ATOM 24 C CG2 . ILE A 0 3 . -6.059 -8.451 17.722 1.00 76.30 3 A 1 ATOM 25 C CD1 . ILE A 0 3 . -8.625 -8.052 19.930 1.00 76.30 3 A 1 ATOM 26 N N . LEU A 0 4 . -6.963 -6.502 14.758 1.00 79.25 4 A 1 ATOM 27 C CA . LEU A 0 4 . -6.397 -6.598 13.404 1.00 79.25 4 A 1 ATOM 28 C C . LEU A 0 4 . -5.747 -5.283 12.950 1.00 79.25 4 A 1 ATOM 29 C CB . LEU A 0 4 . -7.514 -7.023 12.432 1.00 79.25 4 A 1 ATOM 30 O O . LEU A 0 4 . -4.729 -5.304 12.267 1.00 79.25 4 A 1 ATOM 31 C CG . LEU A 0 4 . -7.662 -8.553 12.340 1.00 79.25 4 A 1 ATOM 32 C CD1 . LEU A 0 4 . -9.087 -8.933 11.939 1.00 79.25 4 A 1 ATOM 33 C CD2 . LEU A 0 4 . -6.692 -9.131 11.309 1.00 79.25 4 A 1 ATOM 34 N N . PHE A 0 5 . -6.301 -4.144 13.368 1.00 74.04 5 A 1 ATOM 35 C CA . PHE A 0 5 . -5.767 -2.828 13.026 1.00 74.04 5 A 1 ATOM 36 C C . PHE A 0 5 . -4.446 -2.534 13.749 1.00 74.04 5 A 1 ATOM 37 C CB . PHE A 0 5 . -6.839 -1.781 13.344 1.00 74.04 5 A 1 ATOM 38 O O . PHE A 0 5 . -3.491 -2.061 13.138 1.00 74.04 5 A 1 ATOM 39 C CG . PHE A 0 5 . -6.437 -0.397 12.906 1.00 74.04 5 A 1 ATOM 40 C CD1 . PHE A 0 5 . -6.018 0.556 13.853 1.00 74.04 5 A 1 ATOM 41 C CD2 . PHE A 0 5 . -6.440 -0.082 11.535 1.00 74.04 5 A 1 ATOM 42 C CE1 . PHE A 0 5 . -5.595 1.823 13.422 1.00 74.04 5 A 1 ATOM 43 C CE2 . PHE A 0 5 . -6.000 1.178 11.105 1.00 74.04 5 A 1 ATOM 44 C CZ . PHE A 0 5 . -5.565 2.119 12.048 1.00 74.04 5 A 1 ATOM 45 N N . ILE A 0 6 . -4.359 -2.890 15.033 1.00 80.49 6 A 1 ATOM 46 C CA . ILE A 0 6 . -3.122 -2.761 15.816 1.00 80.49 6 A 1 ATOM 47 C C . ILE A 0 6 . -2.030 -3.670 15.236 1.00 80.49 6 A 1 ATOM 48 C CB . ILE A 0 6 . -3.406 -3.056 17.305 1.00 80.49 6 A 1 ATOM 49 O O . ILE A 0 6 . -0.898 -3.227 15.064 1.00 80.49 6 A 1 ATOM 50 C CG1 . ILE A 0 6 . -4.394 -2.010 17.876 1.00 80.49 6 A 1 ATOM 51 C CG2 . ILE A 0 6 . -2.101 -3.062 18.121 1.00 80.49 6 A 1 ATOM 52 C CD1 . ILE A 0 6 . -4.941 -2.364 19.264 1.00 80.49 6 A 1 ATOM 53 N N . LEU A 0 7 . -2.380 -4.907 14.859 1.00 85.09 7 A 1 ATOM 54 C CA . LEU A 0 7 . -1.447 -5.835 14.214 1.00 85.09 7 A 1 ATOM 55 C C . LEU A 0 7 . -0.894 -5.257 12.902 1.00 85.09 7 A 1 ATOM 56 C CB . LEU A 0 7 . -2.166 -7.176 13.979 1.00 85.09 7 A 1 ATOM 57 O O . LEU A 0 7 . 0.305 -5.333 12.651 1.00 85.09 7 A 1 ATOM 58 C CG . LEU A 0 7 . -1.214 -8.316 13.568 1.00 85.09 7 A 1 ATOM 59 C CD1 . LEU A 0 7 . -0.397 -8.816 14.761 1.00 85.09 7 A 1 ATOM 60 C CD2 . LEU A 0 7 . -2.022 -9.489 13.013 1.00 85.09 7 A 1 ATOM 61 N N . PHE A 0 8 . -1.751 -4.627 12.095 1.00 82.99 8 A 1 ATOM 62 C CA . PHE A 0 8 . -1.346 -3.988 10.844 1.00 82.99 8 A 1 ATOM 63 C C . PHE A 0 8 . -0.367 -2.823 11.065 1.00 82.99 8 A 1 ATOM 64 C CB . PHE A 0 8 . -2.607 -3.543 10.095 1.00 82.99 8 A 1 ATOM 65 O O . PHE A 0 8 . 0.655 -2.748 10.384 1.00 82.99 8 A 1 ATOM 66 C CG . PHE A 0 8 . -2.323 -2.961 8.729 1.00 82.99 8 A 1 ATOM 67 C CD1 . PHE A 0 8 . -2.389 -1.571 8.522 1.00 82.99 8 A 1 ATOM 68 C CD2 . PHE A 0 8 . -1.983 -3.815 7.664 1.00 82.99 8 A 1 ATOM 69 C CE1 . PHE A 0 8 . -2.138 -1.040 7.245 1.00 82.99 8 A 1 ATOM 70 C CE2 . PHE A 0 8 . -1.717 -3.282 6.392 1.00 82.99 8 A 1 ATOM 71 C CZ . PHE A 0 8 . -1.799 -1.895 6.182 1.00 82.99 8 A 1 ATOM 72 N N . ILE A 0 9 . -0.623 -1.956 12.052 1.00 87.35 9 A 1 ATOM 73 C CA . ILE A 0 9 . 0.297 -0.862 12.408 1.00 87.35 9 A 1 ATOM 74 C C . ILE A 0 9 . 1.648 -1.410 12.882 1.00 87.35 9 A 1 ATOM 75 C CB . ILE A 0 9 . -0.352 0.083 13.450 1.00 87.35 9 A 1 ATOM 76 O O . ILE A 0 9 . 2.687 -0.909 12.457 1.00 87.35 9 A 1 ATOM 77 C CG1 . ILE A 0 9 . -1.497 0.867 12.770 1.00 87.35 9 A 1 ATOM 78 C CG2 . ILE A 0 9 . 0.684 1.053 14.052 1.00 87.35 9 A 1 ATOM 79 C CD1 . ILE A 0 9 . -2.218 1.872 13.675 1.00 87.35 9 A 1 ATOM 80 N N . ILE A 0 10 . 1.653 -2.459 13.711 1.00 91.59 10 A 1 ATOM 81 C CA . ILE A 0 10 . 2.890 -3.089 14.194 1.00 91.59 10 A 1 ATOM 82 C C . ILE A 0 10 . 3.728 -3.611 13.021 1.00 91.59 10 A 1 ATOM 83 C CB . ILE A 0 10 . 2.567 -4.195 15.224 1.00 91.59 10 A 1 ATOM 84 O O . ILE A 0 10 . 4.928 -3.358 12.981 1.00 91.59 10 A 1 ATOM 85 C CG1 . ILE A 0 10 . 2.038 -3.563 16.531 1.00 91.59 10 A 1 ATOM 86 C CG2 . ILE A 0 10 . 3.805 -5.059 15.530 1.00 91.59 10 A 1 ATOM 87 C CD1 . ILE A 0 10 . 1.396 -4.577 17.488 1.00 91.59 10 A 1 ATOM 88 N N . ILE A 0 11 . 3.110 -4.276 12.039 1.00 90.60 11 A 1 ATOM 89 C CA . ILE A 0 11 . 3.817 -4.784 10.852 1.00 90.60 11 A 1 ATOM 90 C C . ILE A 0 11 . 4.462 -3.639 10.060 1.00 90.60 11 A 1 ATOM 91 C CB . ILE A 0 11 . 2.867 -5.632 9.975 1.00 90.60 11 A 1 ATOM 92 O O . ILE A 0 11 . 5.625 -3.751 9.679 1.00 90.60 11 A 1 ATOM 93 C CG1 . ILE A 0 11 . 2.486 -6.937 10.711 1.00 90.60 11 A 1 ATOM 94 C CG2 . ILE A 0 11 . 3.512 -5.975 8.617 1.00 90.60 11 A 1 ATOM 95 C CD1 . ILE A 0 11 . 1.291 -7.671 10.089 1.00 90.60 11 A 1 ATOM 96 N N . ILE A 0 12 . 3.749 -2.525 9.850 1.00 87.64 12 A 1 ATOM 97 C CA . ILE A 0 12 . 4.301 -1.348 9.158 1.00 87.64 12 A 1 ATOM 98 C C . ILE A 0 12 . 5.482 -0.763 9.938 1.00 87.64 12 A 1 ATOM 99 C CB . ILE A 0 12 . 3.201 -0.291 8.899 1.00 87.64 12 A 1 ATOM 100 O O . ILE A 0 12 . 6.518 -0.470 9.346 1.00 87.64 12 A 1 ATOM 101 C CG1 . ILE A 0 12 . 2.214 -0.839 7.845 1.00 87.64 12 A 1 ATOM 102 C CG2 . ILE A 0 12 . 3.797 1.048 8.415 1.00 87.64 12 A 1 ATOM 103 C CD1 . ILE A 0 12 . 1.049 0.099 7.511 1.00 87.64 12 A 1 ATOM 104 N N . ILE A 0 13 . 5.355 -0.616 11.259 1.00 90.31 13 A 1 ATOM 105 C CA . ILE A 0 13 . 6.430 -0.086 12.108 1.00 90.31 13 A 1 ATOM 106 C C . ILE A 0 13 . 7.659 -0.995 12.050 1.00 90.31 13 A 1 ATOM 107 C CB . ILE A 0 13 . 5.932 0.113 13.557 1.00 90.31 13 A 1 ATOM 108 O O . ILE A 0 13 . 8.769 -0.491 11.884 1.00 90.31 13 A 1 ATOM 109 C CG1 . ILE A 0 13 . 4.903 1.265 13.604 1.00 90.31 13 A 1 ATOM 110 C CG2 . ILE A 0 13 . 7.094 0.423 14.522 1.00 90.31 13 A 1 ATOM 111 C CD1 . ILE A 0 13 . 4.179 1.384 14.951 1.00 90.31 13 A 1 ATOM 112 N N . ILE A 0 14 . 7.475 -2.315 12.153 1.00 88.95 14 A 1 ATOM 113 C CA . ILE A 0 14 . 8.566 -3.290 12.040 1.00 88.95 14 A 1 ATOM 114 C C . ILE A 0 14 . 9.226 -3.168 10.670 1.00 88.95 14 A 1 ATOM 115 C CB . ILE A 0 14 . 8.065 -4.727 12.309 1.00 88.95 14 A 1 ATOM 116 O O . ILE A 0 14 . 10.442 -3.052 10.604 1.00 88.95 14 A 1 ATOM 117 C CG1 . ILE A 0 14 . 7.695 -4.884 13.801 1.00 88.95 14 A 1 ATOM 118 C CG2 . ILE A 0 14 . 9.134 -5.773 11.928 1.00 88.95 14 A 1 ATOM 119 C CD1 . ILE A 0 14 . 6.943 -6.184 14.112 1.00 88.95 14 A 1 ATOM 120 N N . TYR A 0 15 . 8.444 -3.122 9.590 1.00 86.96 15 A 1 ATOM 121 C CA . TYR A 0 15 . 8.966 -2.995 8.233 1.00 86.96 15 A 1 ATOM 122 C C . TYR A 0 15 . 9.791 -1.714 8.042 1.00 86.96 15 A 1 ATOM 123 C CB . TYR A 0 15 . 7.796 -3.056 7.245 1.00 86.96 15 A 1 ATOM 124 O O . TYR A 0 15 . 10.901 -1.771 7.517 1.00 86.96 15 A 1 ATOM 125 C CG . TYR A 0 15 . 8.230 -2.922 5.802 1.00 86.96 15 A 1 ATOM 126 C CD1 . TYR A 0 15 . 8.241 -1.655 5.184 1.00 86.96 15 A 1 ATOM 127 C CD2 . TYR A 0 15 . 8.668 -4.058 5.097 1.00 86.96 15 A 1 ATOM 128 C CE1 . TYR A 0 15 . 8.697 -1.524 3.859 1.00 86.96 15 A 1 ATOM 129 C CE2 . TYR A 0 15 . 9.110 -3.931 3.767 1.00 86.96 15 A 1 ATOM 130 O OH . TYR A 0 15 . 9.569 -2.547 1.869 1.00 86.96 15 A 1 ATOM 131 C CZ . TYR A 0 15 . 9.132 -2.665 3.150 1.00 86.96 15 A 1 ATOM 132 N N . TYR A 0 16 . 9.299 -0.561 8.506 1.00 82.93 16 A 1 ATOM 133 C CA . TYR A 0 16 . 10.033 0.704 8.408 1.00 82.93 16 A 1 ATOM 134 C C . TYR A 0 16 . 11.304 0.707 9.254 1.00 82.93 16 A 1 ATOM 135 C CB . TYR A 0 16 . 9.141 1.885 8.806 1.00 82.93 16 A 1 ATOM 136 O O . TYR A 0 16 . 12.341 1.151 8.770 1.00 82.93 16 A 1 ATOM 137 C CG . TYR A 0 16 . 8.455 2.530 7.623 1.00 82.93 16 A 1 ATOM 138 C CD1 . TYR A 0 16 . 9.157 3.464 6.837 1.00 82.93 16 A 1 ATOM 139 C CD2 . TYR A 0 16 . 7.129 2.195 7.301 1.00 82.93 16 A 1 ATOM 140 C CE1 . TYR A 0 16 . 8.526 4.076 5.738 1.00 82.93 16 A 1 ATOM 141 C CE2 . TYR A 0 16 . 6.493 2.802 6.203 1.00 82.93 16 A 1 ATOM 142 O OH . TYR A 0 16 . 6.569 4.338 4.370 1.00 82.93 16 A 1 ATOM 143 C CZ . TYR A 0 16 . 7.189 3.747 5.424 1.00 82.93 16 A 1 ATOM 144 N N . ASN A 0 17 . 11.246 0.191 10.485 1.00 81.58 17 A 1 ATOM 145 C CA . ASN A 0 17 . 12.435 0.067 11.328 1.00 81.58 17 A 1 ATOM 146 C C . ASN A 0 17 . 13.451 -0.886 10.704 1.00 81.58 17 A 1 ATOM 147 C CB . ASN A 0 17 . 12.057 -0.385 12.744 1.00 81.58 17 A 1 ATOM 148 O O . ASN A 0 17 . 14.624 -0.554 10.661 1.00 81.58 17 A 1 ATOM 149 C CG . ASN A 0 17 . 11.618 0.786 13.593 1.00 81.58 17 A 1 ATOM 150 N ND2 . ASN A 0 17 . 10.337 1.034 13.691 1.00 81.58 17 A 1 ATOM 151 O OD1 . ASN A 0 17 . 12.415 1.512 14.153 1.00 81.58 17 A 1 ATOM 152 N N . HIS A 0 18 . 13.013 -2.016 10.154 1.00 75.81 18 A 1 ATOM 153 C CA . HIS A 0 18 . 13.887 -2.955 9.458 1.00 75.81 18 A 1 ATOM 154 C C . HIS A 0 18 . 14.509 -2.317 8.214 1.00 75.81 18 A 1 ATOM 155 C CB . HIS A 0 18 . 13.076 -4.202 9.102 1.00 75.81 18 A 1 ATOM 156 O O . HIS A 0 18 . 15.701 -2.442 8.000 1.00 75.81 18 A 1 ATOM 157 C CG . HIS A 0 18 . 13.915 -5.415 8.815 1.00 75.81 18 A 1 ATOM 158 C CD2 . HIS A 0 18 . 14.138 -6.442 9.689 1.00 75.81 18 A 1 ATOM 159 N ND1 . HIS A 0 18 . 14.521 -5.756 7.630 1.00 75.81 18 A 1 ATOM 160 C CE1 . HIS A 0 18 . 15.080 -6.966 7.797 1.00 75.81 18 A 1 ATOM 161 N NE2 . HIS A 0 18 . 14.862 -7.433 9.032 1.00 75.81 18 A 1 ATOM 162 N N . THR A 0 19 . 13.744 -1.547 7.437 1.00 71.78 19 A 1 ATOM 163 C CA . THR A 0 19 . 14.260 -0.830 6.257 1.00 71.78 19 A 1 ATOM 164 C C . THR A 0 19 . 15.258 0.271 6.646 1.00 71.78 19 A 1 ATOM 165 C CB . THR A 0 19 . 13.107 -0.217 5.444 1.00 71.78 19 A 1 ATOM 166 O O . THR A 0 19 . 16.237 0.498 5.937 1.00 71.78 19 A 1 ATOM 167 C CG2 . THR A 0 19 . 13.564 0.281 4.073 1.00 71.78 19 A 1 ATOM 168 O OG1 . THR A 0 19 . 12.088 -1.154 5.175 1.00 71.78 19 A 1 ATOM 169 N N . LEU A 0 20 . 15.028 0.953 7.775 1.00 62.29 20 A 1 ATOM 170 C CA . LEU A 0 20 . 15.924 1.975 8.328 1.00 62.29 20 A 1 ATOM 171 C C . LEU A 0 20 . 17.205 1.371 8.920 1.00 62.29 20 A 1 ATOM 172 C CB . LEU A 0 20 . 15.174 2.779 9.409 1.00 62.29 20 A 1 ATOM 173 O O . LEU A 0 20 . 18.277 1.935 8.724 1.00 62.29 20 A 1 ATOM 174 C CG . LEU A 0 20 . 14.225 3.854 8.854 1.00 62.29 20 A 1 ATOM 175 C CD1 . LEU A 0 20 . 13.246 4.306 9.939 1.00 62.29 20 A 1 ATOM 176 C CD2 . LEU A 0 20 . 15.001 5.087 8.378 1.00 62.29 20 A 1 ATOM 177 N N . ILE A 0 21 . 17.092 0.245 9.630 1.00 61.32 21 A 1 ATOM 178 C CA . ILE A 0 21 . 18.214 -0.470 10.256 1.00 61.32 21 A 1 ATOM 179 C C . ILE A 0 21 . 19.047 -1.190 9.194 1.00 61.32 21 A 1 ATOM 180 C CB . ILE A 0 21 . 17.694 -1.439 11.347 1.00 61.32 21 A 1 ATOM 181 O O . ILE A 0 21 . 20.272 -1.126 9.238 1.00 61.32 21 A 1 ATOM 182 C CG1 . ILE A 0 21 . 17.122 -0.644 12.546 1.00 61.32 21 A 1 ATOM 183 C CG2 . ILE A 0 21 . 18.806 -2.384 11.845 1.00 61.32 21 A 1 ATOM 184 C CD1 . ILE A 0 21 . 16.259 -1.490 13.494 1.00 61.32 21 A 1 ATOM 185 N N . ASP A 0 22 . 18.403 -1.813 8.207 1.00 60.60 22 A 1 ATOM 186 C CA . ASP A 0 22 . 19.110 -2.515 7.139 1.00 60.60 22 A 1 ATOM 187 C C . ASP A 0 22 . 19.732 -1.572 6.120 1.00 60.60 22 A 1 ATOM 188 C CB . ASP A 0 22 . 18.184 -3.479 6.399 1.00 60.60 22 A 1 ATOM 189 O O . ASP A 0 22 . 20.556 -2.026 5.327 1.00 60.60 22 A 1 ATOM 190 C CG . ASP A 0 22 . 17.896 -4.764 7.155 1.00 60.60 22 A 1 ATOM 191 O OD1 . ASP A 0 22 . 18.544 -5.048 8.186 1.00 60.60 22 A 1 ATOM 192 O OD2 . ASP A 0 22 . 17.051 -5.492 6.600 1.00 60.60 22 A 1 ATOM 193 N N . GLY A 0 23 . 19.326 -0.294 6.074 1.00 50.53 23 A 1 ATOM 194 C CA . GLY A 0 23 . 19.896 0.716 5.174 1.00 50.53 23 A 1 ATOM 195 C C . GLY A 0 23 . 19.922 0.307 3.695 1.00 50.53 23 A 1 ATOM 196 O O . GLY A 0 23 . 20.548 0.973 2.873 1.00 50.53 23 A 1 ATOM 197 N N . SER A 0 24 . 19.249 -0.783 3.327 1.00 50.50 24 A 1 ATOM 198 C CA . SER A 0 24 . 19.384 -1.434 2.037 1.00 50.50 24 A 1 ATOM 199 C C . SER A 0 24 . 18.188 -1.065 1.175 1.00 50.50 24 A 1 ATOM 200 C CB . SER A 0 24 . 19.706 -2.927 2.159 1.00 50.50 24 A 1 ATOM 201 O O . SER A 0 24 . 17.468 -1.888 0.613 1.00 50.50 24 A 1 ATOM 202 O OG . SER A 0 24 . 18.646 -3.663 2.718 1.00 50.50 24 A 1 ATOM 203 N N . GLY A 0 25 . 18.122 0.237 0.894 1.00 46.00 25 A 1 ATOM 204 C CA . GLY A 0 25 . 18.095 0.622 -0.510 1.00 46.00 25 A 1 ATOM 205 C C . GLY A 0 25 . 19.320 -0.008 -1.171 1.00 46.00 25 A 1 ATOM 206 O O . GLY A 0 25 . 20.347 0.643 -1.332 1.00 46.00 25 A 1 ATOM 207 N N . SER A 0 26 . 19.233 -1.311 -1.447 1.00 45.68 26 A 1 ATOM 208 C CA . SER A 0 26 . 20.226 -2.097 -2.151 1.00 45.68 26 A 1 ATOM 209 C C . SER A 0 26 . 20.270 -1.524 -3.553 1.00 45.68 26 A 1 ATOM 210 C CB . SER A 0 26 . 19.910 -3.601 -2.103 1.00 45.68 26 A 1 ATOM 211 O O . SER A 0 26 . 19.561 -1.933 -4.471 1.00 45.68 26 A 1 ATOM 212 O OG . SER A 0 26 . 18.525 -3.870 -2.223 1.00 45.68 26 A 1 ATOM 213 N N . PHE A 0 27 . 21.084 -0.481 -3.687 1.00 49.02 27 A 1 ATOM 214 C CA . PHE A 0 27 . 21.575 -0.033 -4.964 1.00 49.02 27 A 1 ATOM 215 C C . PHE A 0 27 . 22.055 -1.293 -5.676 1.00 49.02 27 A 1 ATOM 216 C CB . PHE A 0 27 . 22.716 0.975 -4.768 1.00 49.02 27 A 1 ATOM 217 O O . PHE A 0 27 . 22.845 -2.040 -5.085 1.00 49.02 27 A 1 ATOM 218 C CG . PHE A 0 27 . 22.335 2.369 -5.205 1.00 49.02 27 A 1 ATOM 219 C CD1 . PHE A 0 27 . 22.674 2.812 -6.496 1.00 49.02 27 A 1 ATOM 220 C CD2 . PHE A 0 27 . 21.620 3.212 -4.335 1.00 49.02 27 A 1 ATOM 221 C CE1 . PHE A 0 27 . 22.311 4.104 -6.914 1.00 49.02 27 A 1 ATOM 222 C CE2 . PHE A 0 27 . 21.257 4.504 -4.754 1.00 49.02 27 A 1 ATOM 223 C CZ . PHE A 0 27 . 21.604 4.950 -6.041 1.00 49.02 27 A 1 ATOM 224 N N . PRO A 0 28 . 21.566 -1.577 -6.896 1.00 45.84 28 A 1 ATOM 225 C CA . PRO A 0 28 . 22.107 -2.676 -7.660 1.00 45.84 28 A 1 ATOM 226 C C . PRO A 0 28 . 23.605 -2.430 -7.717 1.00 45.84 28 A 1 ATOM 227 C CB . PRO A 0 28 . 21.421 -2.635 -9.027 1.00 45.84 28 A 1 ATOM 228 O O . PRO A 0 28 . 24.053 -1.391 -8.208 1.00 45.84 28 A 1 ATOM 229 C CG . PRO A 0 28 . 20.936 -1.191 -9.148 1.00 45.84 28 A 1 ATOM 230 C CD . PRO A 0 28 . 20.668 -0.775 -7.705 1.00 45.84 28 A 1 ATOM 231 N N . ASN A 0 29 . 24.341 -3.364 -7.123 1.00 41.93 29 A 1 ATOM 232 C CA . ASN A 0 29 . 25.778 -3.466 -7.184 1.00 41.93 29 A 1 ATOM 233 C C . ASN A 0 29 . 26.131 -3.490 -8.674 1.00 41.93 29 A 1 ATOM 234 C CB . ASN A 0 29 . 26.160 -4.742 -6.402 1.00 41.93 29 A 1 ATOM 235 O O . ASN A 0 29 . 26.173 -4.543 -9.306 1.00 41.93 29 A 1 ATOM 236 C CG . ASN A 0 29 . 27.649 -4.947 -6.201 1.00 41.93 29 A 1 ATOM 237 N ND2 . ASN A 0 29 . 28.032 -6.048 -5.598 1.00 41.93 29 A 1 ATOM 238 O OD1 . ASN A 0 29 . 28.483 -4.140 -6.579 1.00 41.93 29 A 1 ATOM 239 N N . ARG A 0 30 . 26.320 -2.309 -9.273 1.00 46.92 30 A 1 ATOM 240 C CA . ARG A 0 30 . 27.089 -2.155 -10.499 1.00 46.92 30 A 1 ATOM 241 C C . ARG A 0 30 . 28.523 -2.424 -10.082 1.00 46.92 30 A 1 ATOM 242 C CB . ARG A 0 30 . 26.883 -0.782 -11.170 1.00 46.92 30 A 1 ATOM 243 O O . ARG A 0 30 . 29.340 -1.520 -9.953 1.00 46.92 30 A 1 ATOM 244 C CG . ARG A 0 30 . 25.882 -0.837 -12.333 1.00 46.92 30 A 1 ATOM 245 C CD . ARG A 0 30 . 25.957 0.480 -13.118 1.00 46.92 30 A 1 ATOM 246 N NE . ARG A 0 30 . 25.048 0.491 -14.280 1.00 46.92 30 A 1 ATOM 247 N NH1 . ARG A 0 30 . 25.531 2.624 -14.978 1.00 46.92 30 A 1 ATOM 248 N NH2 . ARG A 0 30 . 24.030 1.408 -16.101 1.00 46.92 30 A 1 ATOM 249 C CZ . ARG A 0 30 . 24.874 1.504 -15.112 1.00 46.92 30 A 1 ATOM 250 N N . THR A 0 31 . 28.809 -3.703 -9.872 1.00 46.28 31 A 1 ATOM 251 C CA . THR A 0 31 . 30.122 -4.253 -10.127 1.00 46.28 31 A 1 ATOM 252 C C . THR A 0 31 . 30.359 -3.958 -11.599 1.00 46.28 31 A 1 ATOM 253 C CB . THR A 0 31 . 30.169 -5.759 -9.826 1.00 46.28 31 A 1 ATOM 254 O O . THR A 0 31 . 29.763 -4.569 -12.486 1.00 46.28 31 A 1 ATOM 255 C CG2 . THR A 0 31 . 31.599 -6.211 -9.542 1.00 46.28 31 A 1 ATOM 256 O OG1 . THR A 0 31 . 29.400 -6.059 -8.682 1.00 46.28 31 A 1 ATOM 257 N N . LEU A 0 32 . 31.114 -2.893 -11.849 1.00 54.44 32 A 1 ATOM 258 C CA . LEU A 0 32 . 31.559 -2.489 -13.169 1.00 54.44 32 A 1 ATOM 259 C C . LEU A 0 32 . 32.631 -3.506 -13.578 1.00 54.44 32 A 1 ATOM 260 C CB . LEU A 0 32 . 31.983 -1.003 -13.097 1.00 54.44 32 A 1 ATOM 261 O O . LEU A 0 32 . 33.828 -3.261 -13.503 1.00 54.44 32 A 1 ATOM 262 C CG . LEU A 0 32 . 31.692 -0.192 -14.376 1.00 54.44 32 A 1 ATOM 263 C CD1 . LEU A 0 32 . 31.147 1.193 -14.011 1.00 54.44 32 A 1 ATOM 264 C CD2 . LEU A 0 32 . 32.939 -0.001 -15.235 1.00 54.44 32 A 1 ATOM 265 N N . ILE A 0 33 . 32.169 -4.713 -13.902 1.00 46.49 33 A 1 ATOM 266 C CA . ILE A 0 33 . 32.935 -5.735 -14.598 1.00 46.49 33 A 1 ATOM 267 C C . ILE A 0 33 . 33.001 -5.237 -16.040 1.00 46.49 33 A 1 ATOM 268 C CB . ILE A 0 33 . 32.256 -7.122 -14.473 1.00 46.49 33 A 1 ATOM 269 O O . ILE A 0 33 . 31.999 -5.300 -16.746 1.00 46.49 33 A 1 ATOM 270 C CG1 . ILE A 0 33 . 32.108 -7.538 -12.990 1.00 46.49 33 A 1 ATOM 271 C CG2 . ILE A 0 33 . 33.063 -8.172 -15.259 1.00 46.49 33 A 1 ATOM 272 C CD1 . ILE A 0 33 . 31.318 -8.833 -12.765 1.00 46.49 33 A 1 ATOM 273 N N . ASN A 0 34 . 34.123 -4.596 -16.374 1.00 48.77 34 A 1 ATOM 274 C CA . ASN A 0 34 . 34.730 -4.357 -17.693 1.00 48.77 34 A 1 ATOM 275 C C . ASN A 0 34 . 35.728 -3.200 -17.492 1.00 48.77 34 A 1 ATOM 276 C CB . ASN A 0 34 . 33.690 -3.965 -18.769 1.00 48.77 34 A 1 ATOM 277 O O . ASN A 0 34 . 35.328 -2.122 -17.073 1.00 48.77 34 A 1 ATOM 278 C CG . ASN A 0 34 . 32.962 -5.156 -19.379 1.00 48.77 34 A 1 ATOM 279 N ND2 . ASN A 0 34 . 31.948 -4.913 -20.177 1.00 48.77 34 A 1 ATOM 280 O OD1 . ASN A 0 34 . 33.301 -6.312 -19.186 1.00 48.77 34 A 1 ATOM 281 N N . THR A 0 35 . 37.029 -3.290 -17.736 1.00 51.02 35 A 1 ATOM 282 C CA . THR A 0 35 . 37.830 -4.267 -18.477 1.00 51.02 35 A 1 ATOM 283 C C . THR A 0 35 . 39.282 -3.893 -18.192 1.00 51.02 35 A 1 ATOM 284 C CB . THR A 0 35 . 37.626 -4.148 -20.008 1.00 51.02 35 A 1 ATOM 285 O O . THR A 0 35 . 39.721 -2.804 -18.564 1.00 51.02 35 A 1 ATOM 286 C CG2 . THR A 0 35 . 36.800 -5.293 -20.582 1.00 51.02 35 A 1 ATOM 287 O OG1 . THR A 0 35 . 36.972 -2.945 -20.359 1.00 51.02 35 A 1 ATOM 288 N N . THR A 0 36 . 40.024 -4.785 -17.547 1.00 46.57 36 A 1 ATOM 289 C CA . THR A 0 36 . 41.486 -4.747 -17.494 1.00 46.57 36 A 1 ATOM 290 C C . THR A 0 36 . 41.996 -5.410 -18.769 1.00 46.57 36 A 1 ATOM 291 C CB . THR A 0 36 . 42.017 -5.476 -16.243 1.00 46.57 36 A 1 ATOM 292 O O . THR A 0 36 . 42.279 -6.600 -18.764 1.00 46.57 36 A 1 ATOM 293 C CG2 . THR A 0 36 . 43.486 -5.157 -15.969 1.00 46.57 36 A 1 ATOM 294 O OG1 . THR A 0 36 . 41.290 -5.082 -15.102 1.00 46.57 36 A 1 ATOM 295 N N . ASN A 0 37 . 42.069 -4.666 -19.874 1.00 52.96 37 A 1 ATOM 296 C CA . ASN A 0 37 . 42.802 -5.114 -21.059 1.00 52.96 37 A 1 ATOM 297 C C . ASN A 0 37 . 44.123 -4.351 -21.116 1.00 52.96 37 A 1 ATOM 298 C CB . ASN A 0 37 . 41.942 -5.021 -22.330 1.00 52.96 37 A 1 ATOM 299 O O . ASN A 0 37 . 44.233 -3.277 -21.704 1.00 52.96 37 A 1 ATOM 300 C CG . ASN A 0 37 . 40.919 -6.143 -22.439 1.00 52.96 37 A 1 ATOM 301 N ND2 . ASN A 0 37 . 40.137 -6.157 -23.491 1.00 52.96 37 A 1 ATOM 302 O OD1 . ASN A 0 37 . 40.779 -7.010 -21.598 1.00 52.96 37 A 1 ATOM 303 N N . THR A 0 38 . 45.112 -4.929 -20.440 1.00 44.20 38 A 1 ATOM 304 C CA . THR A 0 38 . 46.534 -4.680 -20.658 1.00 44.20 38 A 1 ATOM 305 C C . THR A 0 38 . 47.098 -5.913 -21.369 1.00 44.20 38 A 1 ATOM 306 C CB . THR A 0 38 . 47.271 -4.386 -19.334 1.00 44.20 38 A 1 ATOM 307 O O . THR A 0 38 . 47.584 -6.831 -20.725 1.00 44.20 38 A 1 ATOM 308 C CG2 . THR A 0 38 . 48.686 -3.858 -19.574 1.00 44.20 38 A 1 ATOM 309 O OG1 . THR A 0 38 . 46.586 -3.393 -18.599 1.00 44.20 38 A 1 ATOM 310 N N . GLU A 0 39 . 46.997 -5.923 -22.696 1.00 57.37 39 A 1 ATOM 311 C CA . GLU A 0 39 . 47.869 -6.657 -23.630 1.00 57.37 39 A 1 ATOM 312 C C . GLU A 0 39 . 48.186 -5.638 -24.737 1.00 57.37 39 A 1 ATOM 313 C CB . GLU A 0 39 . 47.204 -7.937 -24.181 1.00 57.37 39 A 1 ATOM 314 O O . GLU A 0 39 . 47.288 -5.090 -25.371 1.00 57.37 39 A 1 ATOM 315 C CG . GLU A 0 39 . 47.915 -9.211 -23.688 1.00 57.37 39 A 1 ATOM 316 C CD . GLU A 0 39 . 47.413 -10.486 -24.387 1.00 57.37 39 A 1 ATOM 317 O OE1 . GLU A 0 39 . 48.248 -11.385 -24.639 1.00 57.37 39 A 1 ATOM 318 O OE2 . GLU A 0 39 . 46.185 -10.576 -24.617 1.00 57.37 39 A 1 ATOM 319 N N . SER A 0 40 . 49.375 -5.039 -24.691 1.00 55.66 40 A 1 ATOM 320 C CA . SER A 0 40 . 50.513 -5.400 -25.549 1.00 55.66 40 A 1 ATOM 321 C C . SER A 0 40 . 50.267 -5.145 -27.046 1.00 55.66 40 A 1 ATOM 322 C CB . SER A 0 40 . 51.061 -6.805 -25.281 1.00 55.66 40 A 1 ATOM 323 O O . SER A 0 40 . 49.653 -5.946 -27.737 1.00 55.66 40 A 1 ATOM 324 O OG . SER A 0 40 . 50.151 -7.790 -25.692 1.00 55.66 40 A 1 ATOM 325 N N . THR A 0 41 . 50.790 -4.001 -27.499 1.00 42.74 41 A 1 ATOM 326 C CA . THR A 0 41 . 51.700 -3.845 -28.650 1.00 42.74 41 A 1 ATOM 327 C C . THR A 0 41 . 51.385 -4.624 -29.937 1.00 42.74 41 A 1 ATOM 328 C CB . THR A 0 41 . 53.134 -4.204 -28.186 1.00 42.74 41 A 1 ATOM 329 O O . THR A 0 41 . 51.577 -5.828 -29.970 1.00 42.74 41 A 1 ATOM 330 C CG2 . THR A 0 41 . 54.216 -3.484 -28.987 1.00 42.74 41 A 1 ATOM 331 O OG1 . THR A 0 41 . 53.352 -3.837 -26.833 1.00 42.74 41 A 1 ATOM 332 N N . GLU A 0 42 . 51.040 -3.931 -31.033 1.00 49.50 42 A 1 ATOM 333 C CA . GLU A 0 42 . 51.891 -3.758 -32.235 1.00 49.50 42 A 1 ATOM 334 C C . GLU A 0 42 . 51.094 -3.153 -33.418 1.00 49.50 42 A 1 ATOM 335 C CB . GLU A 0 42 . 52.671 -5.029 -32.655 1.00 49.50 42 A 1 ATOM 336 O O . GLU A 0 42 . 49.879 -3.260 -33.538 1.00 49.50 42 A 1 ATOM 337 C CG . GLU A 0 42 . 53.883 -4.720 -33.554 1.00 49.50 42 A 1 ATOM 338 C CD . GLU A 0 42 . 54.849 -5.904 -33.745 1.00 49.50 42 A 1 ATOM 339 O OE1 . GLU A 0 42 . 55.692 -5.792 -34.662 1.00 49.50 42 A 1 ATOM 340 O OE2 . GLU A 0 42 . 54.777 -6.878 -32.966 1.00 49.50 42 A 1 ATOM 341 N N . SER A 0 43 . 51.820 -2.429 -34.261 1.00 49.45 43 A 1 ATOM 342 C CA . SER A 0 43 . 51.438 -1.615 -35.413 1.00 49.45 43 A 1 ATOM 343 C C . SER A 0 43 . 50.447 -2.202 -36.433 1.00 49.45 43 A 1 ATOM 344 C CB . SER A 0 43 . 52.748 -1.411 -36.180 1.00 49.45 43 A 1 ATOM 345 O O . SER A 0 43 . 50.643 -3.308 -36.926 1.00 49.45 43 A 1 ATOM 346 O OG . SER A 0 43 . 53.320 -2.662 -36.514 1.00 49.45 43 A 1 ATOM 347 N N . SER A 0 44 . 49.564 -1.353 -36.975 1.00 57.94 44 A 1 ATOM 348 C CA . SER A 0 44 . 49.569 -1.123 -38.429 1.00 57.94 44 A 1 ATOM 349 C C . SER A 0 44 . 48.896 0.192 -38.825 1.00 57.94 44 A 1 ATOM 350 C CB . SER A 0 44 . 48.977 -2.273 -39.251 1.00 57.94 44 A 1 ATOM 351 O O . SER A 0 44 . 47.838 0.575 -38.335 1.00 57.94 44 A 1 ATOM 352 O OG . SER A 0 44 . 49.863 -2.519 -40.329 1.00 57.94 44 A 1 ATOM 353 N N . LEU A 0 45 . 49.589 0.898 -39.707 1.00 48.94 45 A 1 ATOM 354 C CA . LEU A 0 45 . 49.316 2.224 -40.235 1.00 48.94 45 A 1 ATOM 355 C C . LEU A 0 45 . 48.383 2.147 -41.457 1.00 48.94 45 A 1 ATOM 356 C CB . LEU A 0 45 . 50.694 2.818 -40.640 1.00 48.94 45 A 1 ATOM 357 O O . LEU A 0 45 . 48.607 1.342 -42.352 1.00 48.94 45 A 1 ATOM 358 C CG . LEU A 0 45 . 51.247 3.926 -39.725 1.00 48.94 45 A 1 ATOM 359 C CD1 . LEU A 0 45 . 52.754 3.766 -39.514 1.00 48.94 45 A 1 ATOM 360 C CD2 . LEU A 0 45 . 51.008 5.301 -40.360 1.00 48.94 45 A 1 ATOM 361 N N . LYS A 0 46 . 47.524 3.169 -41.574 1.00 45.79 46 A 1 ATOM 362 C CA . LYS A 0 46 . 47.061 3.814 -42.823 1.00 45.79 46 A 1 ATOM 363 C C . LYS A 0 46 . 45.885 3.198 -43.614 1.00 45.79 46 A 1 ATOM 364 C CB . LYS A 0 46 . 48.269 4.109 -43.750 1.00 45.79 46 A 1 ATOM 365 O O . LYS A 0 46 . 45.921 2.079 -44.098 1.00 45.79 46 A 1 ATOM 366 C CG . LYS A 0 46 . 48.464 5.598 -44.061 1.00 45.79 46 A 1 ATOM 367 C CD . LYS A 0 46 . 49.809 5.803 -44.774 1.00 45.79 46 A 1 ATOM 368 C CE . LYS A 0 46 . 50.054 7.287 -45.064 1.00 45.79 46 A 1 ATOM 369 N NZ . LYS A 0 46 . 51.382 7.502 -45.694 1.00 45.79 46 A 1 ATOM 370 N N . SER A 0 47 . 44.965 4.119 -43.929 1.00 47.85 47 A 1 ATOM 371 C CA . SER A 0 47 . 44.001 4.146 -45.042 1.00 47.85 47 A 1 ATOM 372 C C . SER A 0 47 . 42.646 3.457 -44.817 1.00 47.85 47 A 1 ATOM 373 C CB . SER A 0 47 . 44.682 3.829 -46.394 1.00 47.85 47 A 1 ATOM 374 O O . SER A 0 47 . 42.509 2.254 -44.992 1.00 47.85 47 A 1 ATOM 375 O OG . SER A 0 47 . 44.222 2.656 -47.022 1.00 47.85 47 A 1 ATOM 376 N N . GLN A 0 48 . 41.626 4.255 -44.480 1.00 51.18 48 A 1 ATOM 377 C CA . GLN A 0 48 . 40.506 4.585 -45.376 1.00 51.18 48 A 1 ATOM 378 C C . GLN A 0 48 . 39.529 5.534 -44.655 1.00 51.18 48 A 1 ATOM 379 C CB . GLN A 0 48 . 39.766 3.338 -45.905 1.00 51.18 48 A 1 ATOM 380 O O . GLN A 0 48 . 38.882 5.172 -43.680 1.00 51.18 48 A 1 ATOM 381 C CG . GLN A 0 48 . 40.342 2.893 -47.266 1.00 51.18 48 A 1 ATOM 382 C CD . GLN A 0 48 . 39.668 1.654 -47.845 1.00 51.18 48 A 1 ATOM 383 N NE2 . GLN A 0 48 . 40.199 1.096 -48.911 1.00 51.18 48 A 1 ATOM 384 O OE1 . GLN A 0 48 . 38.649 1.173 -47.384 1.00 51.18 48 A 1 ATOM 385 N N . LEU A 0 49 . 39.458 6.774 -45.144 1.00 56.85 49 A 1 ATOM 386 C CA . LEU A 0 49 . 38.264 7.620 -45.048 1.00 56.85 49 A 1 ATOM 387 C C . LEU A 0 49 . 37.281 7.046 -46.092 1.00 56.85 49 A 1 ATOM 388 C CB . LEU A 0 49 . 38.695 9.067 -45.395 1.00 56.85 49 A 1 ATOM 389 O O . LEU A 0 49 . 37.750 6.744 -47.195 1.00 56.85 49 A 1 ATOM 390 C CG . LEU A 0 49 . 37.949 10.188 -44.651 1.00 56.85 49 A 1 ATOM 391 C CD1 . LEU A 0 49 . 38.570 10.456 -43.281 1.00 56.85 49 A 1 ATOM 392 C CD2 . LEU A 0 49 . 38.005 11.479 -45.470 1.00 56.85 49 A 1 ATOM 393 N N . PRO A 0 50 . 35.975 6.889 -45.809 1.00 44.81 50 A 1 ATOM 394 C CA . PRO A 0 50 . 35.099 8.054 -45.925 1.00 44.81 50 A 1 ATOM 395 C C . PRO A 0 50 . 33.882 8.070 -44.964 1.00 44.81 50 A 1 ATOM 396 C CB . PRO A 0 50 . 34.674 7.997 -47.400 1.00 44.81 50 A 1 ATOM 397 O O . PRO A 0 50 . 33.560 7.097 -44.296 1.00 44.81 50 A 1 ATOM 398 C CG . PRO A 0 50 . 34.499 6.499 -47.665 1.00 44.81 50 A 1 ATOM 399 C CD . PRO A 0 50 . 35.255 5.826 -46.514 1.00 44.81 50 A 1 ATOM 400 N N . GLU A 0 51 . 33.198 9.216 -44.985 1.00 54.36 51 A 1 ATOM 401 C CA . GLU A 0 51 . 31.800 9.466 -44.589 1.00 54.36 51 A 1 ATOM 402 C C . GLU A 0 51 . 31.490 9.887 -43.143 1.00 54.36 51 A 1 ATOM 403 C CB . GLU A 0 51 . 30.802 8.463 -45.188 1.00 54.36 51 A 1 ATOM 404 O O . GLU A 0 51 . 31.383 9.118 -42.191 1.00 54.36 51 A 1 ATOM 405 C CG . GLU A 0 51 . 30.989 8.388 -46.712 1.00 54.36 51 A 1 ATOM 406 C CD . GLU A 0 51 . 29.836 7.711 -47.445 1.00 54.36 51 A 1 ATOM 407 O OE1 . GLU A 0 51 . 29.519 8.194 -48.555 1.00 54.36 51 A 1 ATOM 408 O OE2 . GLU A 0 51 . 29.301 6.718 -46.908 1.00 54.36 51 A 1 ATOM 409 N N . ALA A 0 52 . 31.243 11.195 -43.034 1.00 54.74 52 A 1 ATOM 410 C CA . ALA A 0 52 . 30.536 11.840 -41.950 1.00 54.74 52 A 1 ATOM 411 C C . ALA A 0 52 . 29.096 11.306 -41.846 1.00 54.74 52 A 1 ATOM 412 C CB . ALA A 0 52 . 30.549 13.347 -42.254 1.00 54.74 52 A 1 ATOM 413 O O . ALA A 0 52 . 28.267 11.563 -42.717 1.00 54.74 52 A 1 ATOM 414 N N . GLN A 0 53 . 28.778 10.641 -40.736 1.00 56.50 53 A 1 ATOM 415 C CA . GLN A 0 53 . 27.401 10.429 -40.294 1.00 56.50 53 A 1 ATOM 416 C C . GLN A 0 53 . 27.164 11.228 -39.003 1.00 56.50 53 A 1 ATOM 417 C CB . GLN A 0 53 . 27.108 8.928 -40.101 1.00 56.50 53 A 1 ATOM 418 O O . GLN A 0 53 . 27.780 10.924 -37.979 1.00 56.50 53 A 1 ATOM 419 C CG . GLN A 0 53 . 26.077 8.423 -41.122 1.00 56.50 53 A 1 ATOM 420 C CD . GLN A 0 53 . 25.618 6.992 -40.855 1.00 56.50 53 A 1 ATOM 421 N NE2 . GLN A 0 53 . 24.770 6.446 -41.697 1.00 56.50 53 A 1 ATOM 422 O OE1 . GLN A 0 53 . 25.969 6.347 -39.882 1.00 56.50 53 A 1 ATOM 423 N N . PRO A 0 54 . 26.277 12.240 -38.994 1.00 53.05 54 A 1 ATOM 424 C CA . PRO A 0 54 . 25.837 12.859 -37.759 1.00 53.05 54 A 1 ATOM 425 C C . PRO A 0 54 . 24.775 11.947 -37.140 1.00 53.05 54 A 1 ATOM 426 C CB . PRO A 0 54 . 25.314 14.238 -38.173 1.00 53.05 54 A 1 ATOM 427 O O . PRO A 0 54 . 23.583 12.094 -37.395 1.00 53.05 54 A 1 ATOM 428 C CG . PRO A 0 54 . 24.748 13.996 -39.574 1.00 53.05 54 A 1 ATOM 429 C CD . PRO A 0 54 . 25.577 12.831 -40.127 1.00 53.05 54 A 1 ATOM 430 N N . THR A 0 55 . 25.175 10.979 -36.317 1.00 58.64 55 A 1 ATOM 431 C CA . THR A 0 55 . 24.215 10.250 -35.475 1.00 58.64 55 A 1 ATOM 432 C C . THR A 0 55 . 23.798 11.124 -34.294 1.00 58.64 55 A 1 ATOM 433 C CB . THR A 0 55 . 24.717 8.870 -35.036 1.00 58.64 55 A 1 ATOM 434 O O . THR A 0 55 . 24.197 10.909 -33.152 1.00 58.64 55 A 1 ATOM 435 C CG2 . THR A 0 55 . 24.657 7.867 -36.186 1.00 58.64 55 A 1 ATOM 436 O OG1 . THR A 0 55 . 26.042 8.955 -34.576 1.00 58.64 55 A 1 ATOM 437 N N . SER A 0 56 . 22.972 12.130 -34.577 1.00 59.67 56 A 1 ATOM 438 C CA . SER A 0 56 . 22.075 12.741 -33.604 1.00 59.67 56 A 1 ATOM 439 C C . SER A 0 56 . 20.804 11.890 -33.526 1.00 59.67 56 A 1 ATOM 440 C CB . SER A 0 56 . 21.759 14.192 -34.003 1.00 59.67 56 A 1 ATOM 441 O O . SER A 0 56 . 19.907 12.044 -34.349 1.00 59.67 56 A 1 ATOM 442 O OG . SER A 0 56 . 21.111 14.257 -35.256 1.00 59.67 56 A 1 ATOM 443 N N . LEU A 0 57 . 20.707 10.979 -32.557 1.00 58.82 57 A 1 ATOM 444 C CA . LEU A 0 57 . 19.450 10.294 -32.230 1.00 58.82 57 A 1 ATOM 445 C C . LEU A 0 57 . 19.359 10.072 -30.711 1.00 58.82 57 A 1 ATOM 446 C CB . LEU A 0 57 . 19.268 9.029 -33.101 1.00 58.82 57 A 1 ATOM 447 O O . LEU A 0 57 . 20.071 9.276 -30.107 1.00 58.82 57 A 1 ATOM 448 C CG . LEU A 0 57 . 18.208 9.225 -34.216 1.00 58.82 57 A 1 ATOM 449 C CD1 . LEU A 0 57 . 18.546 8.405 -35.457 1.00 58.82 57 A 1 ATOM 450 C CD2 . LEU A 0 57 . 16.813 8.823 -33.732 1.00 58.82 57 A 1 ATOM 451 N N . MET A 0 58 . 18.498 10.898 -30.117 1.00 48.70 58 A 1 ATOM 452 C CA . MET A 0 58 . 18.105 11.058 -28.714 1.00 48.70 58 A 1 ATOM 453 C C . MET A 0 58 . 18.198 9.818 -27.800 1.00 48.70 58 A 1 ATOM 454 C CB . MET A 0 58 . 16.629 11.496 -28.748 1.00 48.70 58 A 1 ATOM 455 O O . MET A 0 58 . 17.427 8.868 -27.921 1.00 48.70 58 A 1 ATOM 456 C CG . MET A 0 58 . 16.401 12.945 -29.185 1.00 48.70 58 A 1 ATOM 457 S SD . MET A 0 58 . 14.668 13.240 -29.623 1.00 48.70 58 A 1 ATOM 458 C CE . MET A 0 58 . 14.372 14.850 -28.848 1.00 48.70 58 A 1 ATOM 459 N N . LYS A 0 59 . 18.977 9.932 -26.714 1.00 59.78 59 A 1 ATOM 460 C CA . LYS A 0 59 . 18.723 9.202 -25.456 1.00 59.78 59 A 1 ATOM 461 C C . LYS A 0 59 . 17.530 9.843 -24.723 1.00 59.78 59 A 1 ATOM 462 C CB . LYS A 0 59 . 19.987 9.186 -24.562 1.00 59.78 59 A 1 ATOM 463 O O . LYS A 0 59 . 17.720 10.595 -23.776 1.00 59.78 59 A 1 ATOM 464 C CG . LYS A 0 59 . 20.911 7.980 -24.779 1.00 59.78 59 A 1 ATOM 465 C CD . LYS A 0 59 . 22.111 8.068 -23.819 1.00 59.78 59 A 1 ATOM 466 C CE . LYS A 0 59 . 22.971 6.800 -23.890 1.00 59.78 59 A 1 ATOM 467 N NZ . LYS A 0 59 . 24.219 6.935 -23.093 1.00 59.78 59 A 1 ATOM 468 N N . GLN A 0 60 . 16.295 9.574 -25.151 1.00 56.52 60 A 1 ATOM 469 C CA . GLN A 0 60 . 15.082 9.950 -24.390 1.00 56.52 60 A 1 ATOM 470 C C . GLN A 0 60 . 14.198 8.753 -23.982 1.00 56.52 60 A 1 ATOM 471 C CB . GLN A 0 60 . 14.292 11.067 -25.104 1.00 56.52 60 A 1 ATOM 472 O O . GLN A 0 60 . 13.143 8.932 -23.380 1.00 56.52 60 A 1 ATOM 473 C CG . GLN A 0 60 . 14.918 12.459 -24.893 1.00 56.52 60 A 1 ATOM 474 C CD . GLN A 0 60 . 13.988 13.599 -25.315 1.00 56.52 60 A 1 ATOM 475 N NE2 . GLN A 0 60 . 14.267 14.823 -24.924 1.00 56.52 60 A 1 ATOM 476 O OE1 . GLN A 0 60 . 12.996 13.420 -25.996 1.00 56.52 60 A 1 ATOM 477 N N . SER A 0 61 . 14.622 7.509 -24.222 1.00 58.13 61 A 1 ATOM 478 C CA . SER A 0 61 . 13.751 6.330 -24.081 1.00 58.13 61 A 1 ATOM 479 C C . SER A 0 61 . 13.562 5.778 -22.656 1.00 58.13 61 A 1 ATOM 480 C CB . SER A 0 61 . 14.230 5.232 -25.034 1.00 58.13 61 A 1 ATOM 481 O O . SER A 0 61 . 12.597 5.053 -22.423 1.00 58.13 61 A 1 ATOM 482 O OG . SER A 0 61 . 15.604 4.969 -24.817 1.00 58.13 61 A 1 ATOM 483 N N . HIS A 0 62 . 14.395 6.126 -21.666 1.00 56.12 62 A 1 ATOM 484 C CA . HIS A 0 62 . 14.304 5.499 -20.332 1.00 56.12 62 A 1 ATOM 485 C C . HIS A 0 62 . 13.295 6.136 -19.356 1.00 56.12 62 A 1 ATOM 486 C CB . HIS A 0 62 . 15.702 5.341 -19.718 1.00 56.12 62 A 1 ATOM 487 O O . HIS A 0 62 . 12.847 5.456 -18.434 1.00 56.12 62 A 1 ATOM 488 C CG . HIS A 0 62 . 16.350 4.040 -20.126 1.00 56.12 62 A 1 ATOM 489 C CD2 . HIS A 0 62 . 17.055 3.793 -21.273 1.00 56.12 62 A 1 ATOM 490 N ND1 . HIS A 0 62 . 16.281 2.853 -19.431 1.00 56.12 62 A 1 ATOM 491 C CE1 . HIS A 0 62 . 16.939 1.917 -20.135 1.00 56.12 62 A 1 ATOM 492 N NE2 . HIS A 0 62 . 17.437 2.449 -21.262 1.00 56.12 62 A 1 ATOM 493 N N . PHE A 0 63 . 12.863 7.388 -19.554 1.00 60.20 63 A 1 ATOM 494 C CA . PHE A 0 63 . 11.907 8.032 -18.632 1.00 60.20 63 A 1 ATOM 495 C C . PHE A 0 63 . 10.446 7.608 -18.856 1.00 60.20 63 A 1 ATOM 496 C CB . PHE A 0 63 . 12.078 9.556 -18.677 1.00 60.20 63 A 1 ATOM 497 O O . PHE A 0 63 . 9.642 7.636 -17.924 1.00 60.20 63 A 1 ATOM 498 C CG . PHE A 0 63 . 13.234 10.038 -17.821 1.00 60.20 63 A 1 ATOM 499 C CD1 . PHE A 0 63 . 13.056 10.177 -16.431 1.00 60.20 63 A 1 ATOM 500 C CD2 . PHE A 0 63 . 14.487 10.323 -18.396 1.00 60.20 63 A 1 ATOM 501 C CE1 . PHE A 0 63 . 14.123 10.600 -15.620 1.00 60.20 63 A 1 ATOM 502 C CE2 . PHE A 0 63 . 15.555 10.746 -17.583 1.00 60.20 63 A 1 ATOM 503 C CZ . PHE A 0 63 . 15.373 10.884 -16.196 1.00 60.20 63 A 1 ATOM 504 N N . SER A 0 64 . 10.096 7.147 -20.062 1.00 66.19 64 A 1 ATOM 505 C CA . SER A 0 64 . 8.709 6.791 -20.400 1.00 66.19 64 A 1 ATOM 506 C C . SER A 0 64 . 8.209 5.545 -19.649 1.00 66.19 64 A 1 ATOM 507 C CB . SER A 0 64 . 8.594 6.603 -21.916 1.00 66.19 64 A 1 ATOM 508 O O . SER A 0 64 . 7.037 5.461 -19.275 1.00 66.19 64 A 1 ATOM 509 O OG . SER A 0 64 . 7.238 6.613 -22.312 1.00 66.19 64 A 1 ATOM 510 N N . SER A 0 65 . 9.104 4.594 -19.359 1.00 71.78 65 A 1 ATOM 511 C CA . SER A 0 65 . 8.744 3.344 -18.675 1.00 71.78 65 A 1 ATOM 512 C C . SER A 0 65 . 8.499 3.543 -17.174 1.00 71.78 65 A 1 ATOM 513 C CB . SER A 0 65 . 9.817 2.285 -18.932 1.00 71.78 65 A 1 ATOM 514 O O . SER A 0 65 . 7.464 3.123 -16.652 1.00 71.78 65 A 1 ATOM 515 O OG . SER A 0 65 . 9.347 1.039 -18.473 1.00 71.78 65 A 1 ATOM 516 N N . ALA A 0 66 . 9.386 4.271 -16.483 1.00 80.82 66 A 1 ATOM 517 C CA . ALA A 0 66 . 9.240 4.538 -15.050 1.00 80.82 66 A 1 ATOM 518 C C . ALA A 0 66 . 7.969 5.344 -14.741 1.00 80.82 66 A 1 ATOM 519 C CB . ALA A 0 66 . 10.498 5.258 -14.552 1.00 80.82 66 A 1 ATOM 520 O O . ALA A 0 66 . 7.248 5.019 -13.800 1.00 80.82 66 A 1 ATOM 521 N N . TYR A 0 67 . 7.641 6.340 -15.573 1.00 83.85 67 A 1 ATOM 522 C CA . TYR A 0 67 . 6.411 7.120 -15.429 1.00 83.85 67 A 1 ATOM 523 C C . TYR A 0 67 . 5.150 6.259 -15.591 1.00 83.85 67 A 1 ATOM 524 C CB . TYR A 0 67 . 6.425 8.270 -16.441 1.00 83.85 67 A 1 ATOM 525 O O . TYR A 0 67 . 4.209 6.393 -14.808 1.00 83.85 67 A 1 ATOM 526 C CG . TYR A 0 67 . 5.152 9.094 -16.419 1.00 83.85 67 A 1 ATOM 527 C CD1 . TYR A 0 67 . 4.185 8.926 -17.430 1.00 83.85 67 A 1 ATOM 528 C CD2 . TYR A 0 67 . 4.921 10.001 -15.367 1.00 83.85 67 A 1 ATOM 529 C CE1 . TYR A 0 67 . 2.989 9.667 -17.389 1.00 83.85 67 A 1 ATOM 530 C CE2 . TYR A 0 67 . 3.726 10.746 -15.324 1.00 83.85 67 A 1 ATOM 531 O OH . TYR A 0 67 . 1.592 11.273 -16.302 1.00 83.85 67 A 1 ATOM 532 C CZ . TYR A 0 67 . 2.757 10.575 -16.336 1.00 83.85 67 A 1 ATOM 533 N N . LYS A 0 68 . 5.133 5.325 -16.557 1.00 80.30 68 A 1 ATOM 534 C CA . LYS A 0 68 . 4.025 4.366 -16.709 1.00 80.30 68 A 1 ATOM 535 C C . LYS A 0 68 . 3.874 3.477 -15.476 1.00 80.30 68 A 1 ATOM 536 C CB . LYS A 0 68 . 4.210 3.505 -17.970 1.00 80.30 68 A 1 ATOM 537 O O . LYS A 0 68 . 2.751 3.281 -15.011 1.00 80.30 68 A 1 ATOM 538 C CG . LYS A 0 68 . 3.464 4.092 -19.175 1.00 80.30 68 A 1 ATOM 539 C CD . LYS A 0 68 . 3.593 3.164 -20.390 1.00 80.30 68 A 1 ATOM 540 C CE . LYS A 0 68 . 2.777 3.698 -21.573 1.00 80.30 68 A 1 ATOM 541 N NZ . LYS A 0 68 . 2.909 2.823 -22.767 1.00 80.30 68 A 1 ATOM 542 N N . PHE A 0 69 . 4.981 2.979 -14.929 1.00 85.21 69 A 1 ATOM 543 C CA . PHE A 0 69 . 4.952 2.157 -13.722 1.00 85.21 69 A 1 ATOM 544 C C . PHE A 0 69 . 4.430 2.949 -12.517 1.00 85.21 69 A 1 ATOM 545 C CB . PHE A 0 69 . 6.337 1.558 -13.465 1.00 85.21 69 A 1 ATOM 546 O O . PHE A 0 69 . 3.452 2.533 -11.902 1.00 85.21 69 A 1 ATOM 547 C CG . PHE A 0 69 . 6.296 0.427 -12.458 1.00 85.21 69 A 1 ATOM 548 C CD1 . PHE A 0 69 . 6.430 0.692 -11.082 1.00 85.21 69 A 1 ATOM 549 C CD2 . PHE A 0 69 . 6.086 -0.893 -12.900 1.00 85.21 69 A 1 ATOM 550 C CE1 . PHE A 0 69 . 6.358 -0.362 -10.153 1.00 85.21 69 A 1 ATOM 551 C CE2 . PHE A 0 69 . 6.019 -1.946 -11.971 1.00 85.21 69 A 1 ATOM 552 C CZ . PHE A 0 69 . 6.156 -1.680 -10.598 1.00 85.21 69 A 1 ATOM 553 N N . PHE A 0 70 . 4.988 4.136 -12.249 1.00 86.48 70 A 1 ATOM 554 C CA . PHE A 0 70 . 4.552 5.016 -11.157 1.00 86.48 70 A 1 ATOM 555 C C . PHE A 0 70 . 3.080 5.397 -11.262 1.00 86.48 70 A 1 ATOM 556 C CB . PHE A 0 70 . 5.401 6.295 -11.129 1.00 86.48 70 A 1 ATOM 557 O O . PHE A 0 70 . 2.357 5.342 -10.271 1.00 86.48 70 A 1 ATOM 558 C CG . PHE A 0 70 . 6.453 6.264 -10.048 1.00 86.48 70 A 1 ATOM 559 C CD1 . PHE A 0 70 . 6.098 6.602 -8.729 1.00 86.48 70 A 1 ATOM 560 C CD2 . PHE A 0 70 . 7.770 5.869 -10.345 1.00 86.48 70 A 1 ATOM 561 C CE1 . PHE A 0 70 . 7.063 6.555 -7.708 1.00 86.48 70 A 1 ATOM 562 C CE2 . PHE A 0 70 . 8.733 5.824 -9.323 1.00 86.48 70 A 1 ATOM 563 C CZ . PHE A 0 70 . 8.380 6.167 -8.006 1.00 86.48 70 A 1 ATOM 564 N N . ARG A 0 71 . 2.614 5.744 -12.466 1.00 85.10 71 A 1 ATOM 565 C CA . ARG A 0 71 . 1.209 6.084 -12.695 1.00 85.10 71 A 1 ATOM 566 C C . ARG A 0 71 . 0.296 4.911 -12.362 1.00 85.10 71 A 1 ATOM 567 C CB . ARG A 0 71 . 1.036 6.546 -14.146 1.00 85.10 71 A 1 ATOM 568 O O . ARG A 0 71 . -0.729 5.102 -11.719 1.00 85.10 71 A 1 ATOM 569 C CG . ARG A 0 71 . -0.397 7.022 -14.406 1.00 85.10 71 A 1 ATOM 570 C CD . ARG A 0 71 . -0.529 7.537 -15.838 1.00 85.10 71 A 1 ATOM 571 N NE . ARG A 0 71 . -1.901 8.006 -16.099 1.00 85.10 71 A 1 ATOM 572 N NH1 . ARG A 0 71 . -1.606 8.572 -18.301 1.00 85.10 71 A 1 ATOM 573 N NH2 . ARG A 0 71 . -3.599 8.874 -17.342 1.00 85.10 71 A 1 ATOM 574 C CZ . ARG A 0 71 . -2.361 8.479 -17.243 1.00 85.10 71 A 1 ATOM 575 N N . THR A 0 72 . 0.674 3.707 -12.777 1.00 88.38 72 A 1 ATOM 576 C CA . THR A 0 72 . -0.116 2.503 -12.501 1.00 88.38 72 A 1 ATOM 577 C C . THR A 0 72 . -0.119 2.208 -11.003 1.00 88.38 72 A 1 ATOM 578 C CB . THR A 0 72 . 0.406 1.305 -13.305 1.00 88.38 72 A 1 ATOM 579 O O . THR A 0 72 . -1.177 2.001 -10.418 1.00 88.38 72 A 1 ATOM 580 C CG2 . THR A 0 72 . -0.589 0.148 -13.294 1.00 88.38 72 A 1 ATOM 581 O OG1 . THR A 0 72 . 0.588 1.672 -14.657 1.00 88.38 72 A 1 ATOM 582 N N . TRP A 0 73 . 1.045 2.295 -10.357 1.00 85.78 73 A 1 ATOM 583 C CA . TRP A 0 73 . 1.191 2.075 -8.921 1.00 85.78 73 A 1 ATOM 584 C C . TRP A 0 73 . 0.351 3.062 -8.098 1.00 85.78 73 A 1 ATOM 585 C CB . TRP A 0 73 . 2.684 2.132 -8.561 1.00 85.78 73 A 1 ATOM 586 O O . TRP A 0 73 . -0.373 2.655 -7.195 1.00 85.78 73 A 1 ATOM 587 C CG . TRP A 0 73 . 3.115 1.084 -7.593 1.00 85.78 73 A 1 ATOM 588 C CD1 . TRP A 0 73 . 3.136 -0.244 -7.850 1.00 85.78 73 A 1 ATOM 589 C CD2 . TRP A 0 73 . 3.593 1.239 -6.225 1.00 85.78 73 A 1 ATOM 590 C CE2 . TRP A 0 73 . 3.855 -0.060 -5.696 1.00 85.78 73 A 1 ATOM 591 C CE3 . TRP A 0 73 . 3.829 2.343 -5.376 1.00 85.78 73 A 1 ATOM 592 N NE1 . TRP A 0 73 . 3.567 -0.924 -6.729 1.00 85.78 73 A 1 ATOM 593 C CH2 . TRP A 0 73 . 4.519 0.857 -3.561 1.00 85.78 73 A 1 ATOM 594 C CZ2 . TRP A 0 73 . 4.310 -0.260 -4.386 1.00 85.78 73 A 1 ATOM 595 C CZ3 . TRP A 0 73 . 4.281 2.153 -4.056 1.00 85.78 73 A 1 ATOM 596 N N . PHE A 0 74 . 0.360 4.345 -8.470 1.00 90.18 74 A 1 ATOM 597 C CA . PHE A 0 74 . -0.409 5.392 -7.798 1.00 90.18 74 A 1 ATOM 598 C C . PHE A 0 74 . -1.924 5.194 -7.927 1.00 90.18 74 A 1 ATOM 599 C CB . PHE A 0 74 . 0.019 6.749 -8.363 1.00 90.18 74 A 1 ATOM 600 O O . PHE A 0 74 . -2.646 5.333 -6.942 1.00 90.18 74 A 1 ATOM 601 C CG . PHE A 0 74 . -0.551 7.925 -7.602 1.00 90.18 74 A 1 ATOM 602 C CD1 . PHE A 0 74 . -1.693 8.597 -8.076 1.00 90.18 74 A 1 ATOM 603 C CD2 . PHE A 0 74 . 0.068 8.347 -6.411 1.00 90.18 74 A 1 ATOM 604 C CE1 . PHE A 0 74 . -2.193 9.705 -7.373 1.00 90.18 74 A 1 ATOM 605 C CE2 . PHE A 0 74 . -0.444 9.445 -5.699 1.00 90.18 74 A 1 ATOM 606 C CZ . PHE A 0 74 . -1.570 10.129 -6.186 1.00 90.18 74 A 1 ATOM 607 N N . VAL A 0 75 . -2.411 4.815 -9.115 1.00 89.74 75 A 1 ATOM 608 C CA . VAL A 0 75 . -3.845 4.562 -9.349 1.00 89.74 75 A 1 ATOM 609 C C . VAL A 0 75 . -4.357 3.392 -8.505 1.00 89.74 75 A 1 ATOM 610 C CB . VAL A 0 75 . -4.117 4.338 -10.850 1.00 89.74 75 A 1 ATOM 611 O O . VAL A 0 75 . -5.487 3.440 -8.029 1.00 89.74 75 A 1 ATOM 612 C CG1 . VAL A 0 75 . -5.543 3.854 -11.147 1.00 89.74 75 A 1 ATOM 613 C CG2 . VAL A 0 75 . -3.930 5.649 -11.628 1.00 89.74 75 A 1 ATOM 614 N N . PHE A 0 76 . -3.533 2.368 -8.270 1.00 85.42 76 A 1 ATOM 615 C CA . PHE A 0 76 . -3.905 1.246 -7.407 1.00 85.42 76 A 1 ATOM 616 C C . PHE A 0 76 . -3.740 1.545 -5.908 1.00 85.42 76 A 1 ATOM 617 C CB . PHE A 0 76 . -3.129 -0.007 -7.833 1.00 85.42 76 A 1 ATOM 618 O O . PHE A 0 76 . -4.568 1.096 -5.114 1.00 85.42 76 A 1 ATOM 619 C CG . PHE A 0 76 . -3.790 -0.760 -8.973 1.00 85.42 76 A 1 ATOM 620 C CD1 . PHE A 0 76 . -4.841 -1.654 -8.698 1.00 85.42 76 A 1 ATOM 621 C CD2 . PHE A 0 76 . -3.372 -0.575 -10.304 1.00 85.42 76 A 1 ATOM 622 C CE1 . PHE A 0 76 . -5.461 -2.361 -9.743 1.00 85.42 76 A 1 ATOM 623 C CE2 . PHE A 0 76 . -3.993 -1.277 -11.351 1.00 85.42 76 A 1 ATOM 624 C CZ . PHE A 0 76 . -5.038 -2.174 -11.070 1.00 85.42 76 A 1 ATOM 625 N N . LEU A 0 77 . -2.719 2.312 -5.502 1.00 84.64 77 A 1 ATOM 626 C CA . LEU A 0 77 . -2.488 2.632 -4.086 1.00 84.64 77 A 1 ATOM 627 C C . LEU A 0 77 . -3.444 3.694 -3.539 1.00 84.64 77 A 1 ATOM 628 C CB . LEU A 0 77 . -1.034 3.087 -3.838 1.00 84.64 77 A 1 ATOM 629 O O . LEU A 0 77 . -3.909 3.565 -2.406 1.00 84.64 77 A 1 ATOM 630 C CG . LEU A 0 77 . -0.173 2.028 -3.121 1.00 84.64 77 A 1 ATOM 631 C CD1 . LEU A 0 77 . 0.680 1.256 -4.120 1.00 84.64 77 A 1 ATOM 632 C CD2 . LEU A 0 77 . 0.744 2.691 -2.094 1.00 84.64 77 A 1 ATOM 633 N N . MET A 0 78 . -3.742 4.743 -4.308 1.00 86.29 78 A 1 ATOM 634 C CA . MET A 0 78 . -4.504 5.893 -3.813 1.00 86.29 78 A 1 ATOM 635 C C . MET A 0 78 . -5.885 5.516 -3.246 1.00 86.29 78 A 1 ATOM 636 C CB . MET A 0 78 . -4.549 6.983 -4.893 1.00 86.29 78 A 1 ATOM 637 O O . MET A 0 78 . -6.186 5.953 -2.136 1.00 86.29 78 A 1 ATOM 638 C CG . MET A 0 78 . -5.269 8.254 -4.438 1.00 86.29 78 A 1 ATOM 639 S SD . MET A 0 78 . -4.742 9.692 -5.401 1.00 86.29 78 A 1 ATOM 640 C CE . MET A 0 78 . -6.062 10.875 -5.072 1.00 86.29 78 A 1 ATOM 641 N N . PRO A 0 79 . -6.692 4.639 -3.878 1.00 91.90 79 A 1 ATOM 642 C CA . PRO A 0 79 . -7.962 4.194 -3.305 1.00 91.90 79 A 1 ATOM 643 C C . PRO A 0 79 . -7.797 3.466 -1.967 1.00 91.90 79 A 1 ATOM 644 C CB . PRO A 0 79 . -8.589 3.257 -4.347 1.00 91.90 79 A 1 ATOM 645 O O . PRO A 0 79 . -8.631 3.624 -1.076 1.00 91.90 79 A 1 ATOM 646 C CG . PRO A 0 79 . -7.899 3.631 -5.655 1.00 91.90 79 A 1 ATOM 647 C CD . PRO A 0 79 . -6.514 4.069 -5.202 1.00 91.90 79 A 1 ATOM 648 N N . GLN A 0 80 . -6.727 2.678 -1.807 1.00 86.83 80 A 1 ATOM 649 C CA . GLN A 0 80 . -6.473 1.941 -0.567 1.00 86.83 80 A 1 ATOM 650 C C . GLN A 0 80 . -6.056 2.876 0.564 1.00 86.83 80 A 1 ATOM 651 C CB . GLN A 0 80 . -5.416 0.850 -0.777 1.00 86.83 80 A 1 ATOM 652 O O . GLN A 0 80 . -6.582 2.756 1.669 1.00 86.83 80 A 1 ATOM 653 C CG . GLN A 0 80 . -5.884 -0.231 -1.768 1.00 86.83 80 A 1 ATOM 654 C CD . GLN A 0 80 . -5.598 -1.654 -1.293 1.00 86.83 80 A 1 ATOM 655 N NE2 . GLN A 0 80 . -6.348 -2.628 -1.758 1.00 86.83 80 A 1 ATOM 656 O OE1 . GLN A 0 80 . -4.725 -1.932 -0.491 1.00 86.83 80 A 1 ATOM 657 N N . ILE A 0 81 . -5.182 3.847 0.276 1.00 89.25 81 A 1 ATOM 658 C CA . ILE A 0 81 . -4.785 4.874 1.245 1.00 89.25 81 A 1 ATOM 659 C C . ILE A 0 81 . -6.006 5.708 1.640 1.00 89.25 81 A 1 ATOM 660 C CB . ILE A 0 81 . -3.655 5.769 0.692 1.00 89.25 81 A 1 ATOM 661 O O . ILE A 0 81 . -6.253 5.891 2.827 1.00 89.25 81 A 1 ATOM 662 C CG1 . ILE A 0 81 . -2.387 4.957 0.340 1.00 89.25 81 A 1 ATOM 663 C CG2 . ILE A 0 81 . -3.297 6.849 1.736 1.00 89.25 81 A 1 ATOM 664 C CD1 . ILE A 0 81 . -1.444 5.722 -0.599 1.00 89.25 81 A 1 ATOM 665 N N . CYS A 0 82 . -6.816 6.156 0.675 1.00 93.17 82 A 1 ATOM 666 C CA . CYS A 0 82 . -8.038 6.904 0.962 1.00 93.17 82 A 1 ATOM 667 C C . CYS A 0 82 . -8.988 6.099 1.854 1.00 93.17 82 A 1 ATOM 668 C CB . CYS A 0 82 . -8.726 7.306 -0.349 1.00 93.17 82 A 1 ATOM 669 O O . CYS A 0 82 . -9.454 6.620 2.860 1.00 93.17 82 A 1 ATOM 670 S SG . CYS A 0 82 . -7.765 8.587 -1.205 1.00 93.17 82 A 1 ATOM 671 N N . LYS A 0 83 . -9.220 4.815 1.552 1.00 87.52 83 A 1 ATOM 672 C CA . LYS A 0 83 . -10.089 3.951 2.362 1.00 87.52 83 A 1 ATOM 673 C C . LYS A 0 83 . -9.538 3.739 3.774 1.00 87.52 83 A 1 ATOM 674 C CB . LYS A 0 83 . -10.313 2.636 1.605 1.00 87.52 83 A 1 ATOM 675 O O . LYS A 0 83 . -10.309 3.767 4.729 1.00 87.52 83 A 1 ATOM 676 C CG . LYS A 0 83 . -11.498 1.835 2.159 1.00 87.52 83 A 1 ATOM 677 C CD . LYS A 0 83 . -11.856 0.691 1.201 1.00 87.52 83 A 1 ATOM 678 C CE . LYS A 0 83 . -13.135 -0.010 1.668 1.00 87.52 83 A 1 ATOM 679 N NZ . LYS A 0 83 . -13.580 -1.041 0.697 1.00 87.52 83 A 1 ATOM 680 N N . LEU A 0 84 . -8.221 3.584 3.916 1.00 87.35 84 A 1 ATOM 681 C CA . LEU A 0 84 . -7.553 3.496 5.215 1.00 87.35 84 A 1 ATOM 682 C C . LEU A 0 84 . -7.752 4.783 6.027 1.00 87.35 84 A 1 ATOM 683 C CB . LEU A 0 84 . -6.056 3.208 4.991 1.00 87.35 84 A 1 ATOM 684 O O . LEU A 0 84 . -8.131 4.712 7.193 1.00 87.35 84 A 1 ATOM 685 C CG . LEU A 0 84 . -5.295 2.880 6.289 1.00 87.35 84 A 1 ATOM 686 C CD1 . LEU A 0 84 . -5.514 1.424 6.706 1.00 87.35 84 A 1 ATOM 687 C CD2 . LEU A 0 84 . -3.797 3.109 6.095 1.00 87.35 84 A 1 ATOM 688 N N . VAL A 0 85 . -7.549 5.947 5.403 1.00 90.00 85 A 1 ATOM 689 C CA . VAL A 0 85 . -7.728 7.263 6.034 1.00 90.00 85 A 1 ATOM 690 C C . VAL A 0 85 . -9.188 7.492 6.421 1.00 90.00 85 A 1 ATOM 691 C CB . VAL A 0 85 . -7.207 8.391 5.122 1.00 90.00 85 A 1 ATOM 692 O O . VAL A 0 85 . -9.448 7.959 7.525 1.00 90.00 85 A 1 ATOM 693 C CG1 . VAL A 0 85 . -7.526 9.787 5.674 1.00 90.00 85 A 1 ATOM 694 C CG2 . VAL A 0 85 . -5.681 8.312 4.975 1.00 90.00 85 A 1 ATOM 695 N N . THR A 0 86 . -10.148 7.120 5.572 1.00 93.55 86 A 1 ATOM 696 C CA . THR A 0 86 . -11.579 7.212 5.896 1.00 93.55 86 A 1 ATOM 697 C C . THR A 0 86 . -11.933 6.347 7.103 1.00 93.55 86 A 1 ATOM 698 C CB . THR A 0 86 . -12.448 6.809 4.696 1.00 93.55 86 A 1 ATOM 699 O O . THR A 0 86 . -12.575 6.838 8.024 1.00 93.55 86 A 1 ATOM 700 C CG2 . THR A 0 86 . -13.943 6.973 4.966 1.00 93.55 86 A 1 ATOM 701 O OG1 . THR A 0 86 . -12.162 7.623 3.584 1.00 93.55 86 A 1 ATOM 702 N N . ILE A 0 87 . -11.473 5.092 7.145 1.00 89.76 87 A 1 ATOM 703 C CA . ILE A 0 87 . -11.720 4.193 8.284 1.00 89.76 87 A 1 ATOM 704 C C . ILE A 0 87 . -11.086 4.750 9.565 1.00 89.76 87 A 1 ATOM 705 C CB . ILE A 0 87 . -11.209 2.770 7.960 1.00 89.76 87 A 1 ATOM 706 O O . ILE A 0 87 . -11.722 4.744 10.613 1.00 89.76 87 A 1 ATOM 707 C CG1 . ILE A 0 87 . -12.088 2.124 6.864 1.00 89.76 87 A 1 ATOM 708 C CG2 . ILE A 0 87 . -11.203 1.871 9.213 1.00 89.76 87 A 1 ATOM 709 C CD1 . ILE A 0 87 . -11.446 0.893 6.208 1.00 89.76 87 A 1 ATOM 710 N N . LEU A 0 88 . -9.854 5.260 9.483 1.00 85.58 88 A 1 ATOM 711 C CA . LEU A 0 88 . -9.174 5.930 10.596 1.00 85.58 88 A 1 ATOM 712 C C . LEU A 0 88 . -9.958 7.146 11.094 1.00 85.58 88 A 1 ATOM 713 C CB . LEU A 0 88 . -7.773 6.362 10.124 1.00 85.58 88 A 1 ATOM 714 O O . LEU A 0 88 . -10.119 7.321 12.299 1.00 85.58 88 A 1 ATOM 715 C CG . LEU A 0 88 . -6.670 5.373 10.526 1.00 85.58 88 A 1 ATOM 716 C CD1 . LEU A 0 88 . -5.444 5.569 9.636 1.00 85.58 88 A 1 ATOM 717 C CD2 . LEU A 0 88 . -6.274 5.618 11.987 1.00 85.58 88 A 1 ATOM 718 N N . SER A 0 89 . -10.461 7.966 10.172 1.00 91.63 89 A 1 ATOM 719 C CA . SER A 0 89 . -11.248 9.152 10.496 1.00 91.63 89 A 1 ATOM 720 C C . SER A 0 89 . -12.573 8.799 11.166 1.00 91.63 89 A 1 ATOM 721 C CB . SER A 0 89 . -11.524 9.968 9.234 1.00 91.63 89 A 1 ATOM 722 O O . SER A 0 89 . -12.975 9.508 12.083 1.00 91.63 89 A 1 ATOM 723 O OG . SER A 0 89 . -12.187 11.169 9.581 1.00 91.63 89 A 1 ATOM 724 N N . GLU A 0 90 . -13.250 7.733 10.737 1.00 87.54 90 A 1 ATOM 725 C CA . GLU A 0 90 . -14.457 7.258 11.421 1.00 87.54 90 A 1 ATOM 726 C C . GLU A 0 90 . -14.156 6.689 12.804 1.00 87.54 90 A 1 ATOM 727 C CB . GLU A 0 90 . -15.180 6.187 10.599 1.00 87.54 90 A 1 ATOM 728 O O . GLU A 0 90 . -14.987 6.781 13.692 1.00 87.54 90 A 1 ATOM 729 C CG . GLU A 0 90 . -15.933 6.777 9.398 1.00 87.54 90 A 1 ATOM 730 C CD . GLU A 0 90 . -17.308 6.123 9.188 1.00 87.54 90 A 1 ATOM 731 O OE1 . GLU A 0 90 . -18.210 6.848 8.712 1.00 87.54 90 A 1 ATOM 732 O OE2 . GLU A 0 90 . -17.445 4.910 9.472 1.00 87.54 90 A 1 ATOM 733 N N . PHE A 0 91 . -12.967 6.131 13.011 1.00 83.17 91 A 1 ATOM 734 C CA . PHE A 0 91 . -12.593 5.537 14.290 1.00 83.17 91 A 1 ATOM 735 C C . PHE A 0 91 . -12.298 6.565 15.389 1.00 83.17 91 A 1 ATOM 736 C CB . PHE A 0 91 . -11.372 4.654 14.047 1.00 83.17 91 A 1 ATOM 737 O O . PHE A 0 91 . -12.380 6.241 16.573 1.00 83.17 91 A 1 ATOM 738 C CG . PHE A 0 91 . -11.295 3.471 14.971 1.00 83.17 91 A 1 ATOM 739 C CD1 . PHE A 0 91 . -10.660 3.588 16.217 1.00 83.17 91 A 1 ATOM 740 C CD2 . PHE A 0 91 . -11.809 2.234 14.545 1.00 83.17 91 A 1 ATOM 741 C CE1 . PHE A 0 91 . -10.454 2.446 17.002 1.00 83.17 91 A 1 ATOM 742 C CE2 . PHE A 0 91 . -11.599 1.086 15.324 1.00 83.17 91 A 1 ATOM 743 C CZ . PHE A 0 91 . -10.876 1.197 16.526 1.00 83.17 91 A 1 ATOM 744 N N . ILE A 0 92 . -11.893 7.776 14.999 1.00 84.70 92 A 1 ATOM 745 C CA . ILE A 0 92 . -11.658 8.896 15.922 1.00 84.70 92 A 1 ATOM 746 C C . ILE A 0 92 . -12.986 9.536 16.358 1.00 84.70 92 A 1 ATOM 747 C CB . ILE A 0 92 . -10.702 9.920 15.258 1.00 84.70 92 A 1 ATOM 748 O O . ILE A 0 92 . -13.035 10.168 17.413 1.00 84.70 92 A 1 ATOM 749 C CG1 . ILE A 0 92 . -9.302 9.290 15.057 1.00 84.70 92 A 1 ATOM 750 C CG2 . ILE A 0 92 . -10.564 11.218 16.080 1.00 84.70 92 A 1 ATOM 751 C CD1 . ILE A 0 92 . -8.382 10.091 14.125 1.00 84.70 92 A 1 ATOM 752 N N . LYS A 0 93 . -14.037 9.392 15.546 1.00 73.36 93 A 1 ATOM 753 C CA . LYS A 0 93 . -15.362 9.958 15.792 1.00 73.36 93 A 1 ATOM 754 C C . LYS A 0 93 . -16.186 9.068 16.722 1.00 73.36 93 A 1 ATOM 755 C CB . LYS A 0 93 . -16.046 10.186 14.438 1.00 73.36 93 A 1 ATOM 756 O O . LYS A 0 93 . -16.954 9.656 17.513 1.00 73.36 93 A 1 ATOM 757 C CG . LYS A 0 93 . -17.056 11.332 14.520 1.00 73.36 93 A 1 ATOM 758 C CD . LYS A 0 93 . -17.715 11.528 13.155 1.00 73.36 93 A 1 ATOM 759 C CE . LYS A 0 93 . -18.601 12.773 13.182 1.00 73.36 93 A 1 ATOM 760 N NZ . LYS A 0 93 . -19.308 12.937 11.891 1.00 73.36 93 A 1 ATOM 761 O OXT . LYS A 0 93 . -16.068 7.834 16.587 1.00 73.36 93 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 69.96 # loop_ _atom_type.symbol C N O S #