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 THR 0 3 ARG 0 4 TYR 0 5 GLY 0 6 ILE 0 7 TYR 0 8 ILE 0 9 TYR 0 10 ILE 0 11 TYR 0 12 ILE 0 13 TYR 0 14 ILE 0 15 TYR 0 16 ILE 0 17 TYR 0 18 SER 0 19 ARG 0 20 TYR 0 21 THR 0 22 GLU 0 23 GLN 0 24 LEU 0 25 THR 0 26 GLY 0 27 TRP 0 28 PHE 0 29 ASP 0 30 THR 0 31 VAL 0 32 TYR 0 33 HIS 0 34 THR 0 35 HIS 0 36 THR 0 37 CYS 0 38 ILE 0 39 ASN 0 40 ILE 0 41 PRO 0 42 GLN 0 43 VAL 0 44 ILE 0 45 HIS 0 46 SER 0 47 PRO 0 48 LYS 0 49 TYR 0 50 ILE 0 51 ARG 0 52 ILE 0 53 GLY 0 54 MET 0 55 LYS 0 56 LYS 0 57 THR 0 58 ARG 0 59 GLU 0 60 ARG 0 61 ILE 0 62 ILE 0 63 THR # 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 . 21.047 18.857 -27.348 1.00 36.74 1 A 1 ATOM 2 C CA . MET A 0 1 . 19.968 19.189 -26.390 1.00 36.74 1 A 1 ATOM 3 C C . MET A 0 1 . 19.323 17.896 -25.915 1.00 36.74 1 A 1 ATOM 4 C CB . MET A 0 1 . 18.907 20.105 -27.029 1.00 36.74 1 A 1 ATOM 5 O O . MET A 0 1 . 18.410 17.395 -26.558 1.00 36.74 1 A 1 ATOM 6 C CG . MET A 0 1 . 19.323 21.576 -27.091 1.00 36.74 1 A 1 ATOM 7 S SD . MET A 0 1 . 18.078 22.582 -27.936 1.00 36.74 1 A 1 ATOM 8 C CE . MET A 0 1 . 18.502 24.237 -27.330 1.00 36.74 1 A 1 ATOM 9 N N . THR A 0 2 . 19.832 17.301 -24.843 1.00 43.34 2 A 1 ATOM 10 C CA . THR A 0 2 . 19.256 16.093 -24.241 1.00 43.34 2 A 1 ATOM 11 C C . THR A 0 2 . 18.024 16.506 -23.439 1.00 43.34 2 A 1 ATOM 12 C CB . THR A 0 2 . 20.294 15.354 -23.361 1.00 43.34 2 A 1 ATOM 13 O O . THR A 0 2 . 18.130 17.239 -22.458 1.00 43.34 2 A 1 ATOM 14 C CG2 . THR A 0 2 . 20.612 13.976 -23.938 1.00 43.34 2 A 1 ATOM 15 O OG1 . THR A 0 2 . 21.522 16.059 -23.317 1.00 43.34 2 A 1 ATOM 16 N N . ARG A 0 3 . 16.829 16.114 -23.898 1.00 42.56 3 A 1 ATOM 17 C CA . ARG A 0 3 . 15.588 16.321 -23.142 1.00 42.56 3 A 1 ATOM 18 C C . ARG A 0 3 . 15.640 15.425 -21.905 1.00 42.56 3 A 1 ATOM 19 C CB . ARG A 0 3 . 14.353 16.004 -24.010 1.00 42.56 3 A 1 ATOM 20 O O . ARG A 0 3 . 15.444 14.221 -22.016 1.00 42.56 3 A 1 ATOM 21 C CG . ARG A 0 3 . 13.978 17.136 -24.980 1.00 42.56 3 A 1 ATOM 22 C CD . ARG A 0 3 . 12.717 16.758 -25.773 1.00 42.56 3 A 1 ATOM 23 N NE . ARG A 0 3 . 12.183 17.895 -26.553 1.00 42.56 3 A 1 ATOM 24 N NH1 . ARG A 0 3 . 10.599 16.727 -27.746 1.00 42.56 3 A 1 ATOM 25 N NH2 . ARG A 0 3 . 10.778 18.929 -28.024 1.00 42.56 3 A 1 ATOM 26 C CZ . ARG A 0 3 . 11.195 17.844 -27.433 1.00 42.56 3 A 1 ATOM 27 N N . TYR A 0 4 . 15.909 16.007 -20.741 1.00 47.81 4 A 1 ATOM 28 C CA . TYR A 0 4 . 15.738 15.320 -19.464 1.00 47.81 4 A 1 ATOM 29 C C . TYR A 0 4 . 14.238 15.128 -19.225 1.00 47.81 4 A 1 ATOM 30 C CB . TYR A 0 4 . 16.416 16.111 -18.335 1.00 47.81 4 A 1 ATOM 31 O O . TYR A 0 4 . 13.537 16.055 -18.824 1.00 47.81 4 A 1 ATOM 32 C CG . TYR A 0 4 . 17.922 16.225 -18.483 1.00 47.81 4 A 1 ATOM 33 C CD1 . TYR A 0 4 . 18.752 15.156 -18.087 1.00 47.81 4 A 1 ATOM 34 C CD2 . TYR A 0 4 . 18.492 17.388 -19.037 1.00 47.81 4 A 1 ATOM 35 C CE1 . TYR A 0 4 . 20.149 15.248 -18.246 1.00 47.81 4 A 1 ATOM 36 C CE2 . TYR A 0 4 . 19.887 17.482 -19.199 1.00 47.81 4 A 1 ATOM 37 O OH . TYR A 0 4 . 22.061 16.509 -18.974 1.00 47.81 4 A 1 ATOM 38 C CZ . TYR A 0 4 . 20.717 16.414 -18.804 1.00 47.81 4 A 1 ATOM 39 N N . GLY A 0 5 . 13.725 13.939 -19.535 1.00 46.18 5 A 1 ATOM 40 C CA . GLY A 0 5 . 12.390 13.538 -19.111 1.00 46.18 5 A 1 ATOM 41 C C . GLY A 0 5 . 12.408 13.273 -17.609 1.00 46.18 5 A 1 ATOM 42 O O . GLY A 0 5 . 13.191 12.453 -17.137 1.00 46.18 5 A 1 ATOM 43 N N . ILE A 0 6 . 11.571 13.973 -16.845 1.00 50.19 6 A 1 ATOM 44 C CA . ILE A 0 6 . 11.336 13.630 -15.441 1.00 50.19 6 A 1 ATOM 45 C C . ILE A 0 6 . 10.283 12.523 -15.431 1.00 50.19 6 A 1 ATOM 46 C CB . ILE A 0 6 . 10.909 14.866 -14.614 1.00 50.19 6 A 1 ATOM 47 O O . ILE A 0 6 . 9.112 12.787 -15.695 1.00 50.19 6 A 1 ATOM 48 C CG1 . ILE A 0 6 . 12.012 15.951 -14.643 1.00 50.19 6 A 1 ATOM 49 C CG2 . ILE A 0 6 . 10.602 14.451 -13.160 1.00 50.19 6 A 1 ATOM 50 C CD1 . ILE A 0 6 . 11.591 17.286 -14.016 1.00 50.19 6 A 1 ATOM 51 N N . TYR A 0 7 . 10.690 11.295 -15.117 1.00 42.96 7 A 1 ATOM 52 C CA . TYR A 0 7 . 9.752 10.212 -14.831 1.00 42.96 7 A 1 ATOM 53 C C . TYR A 0 7 . 9.307 10.313 -13.369 1.00 42.96 7 A 1 ATOM 54 C CB . TYR A 0 7 . 10.369 8.855 -15.192 1.00 42.96 7 A 1 ATOM 55 O O . TYR A 0 7 . 10.128 10.313 -12.452 1.00 42.96 7 A 1 ATOM 56 C CG . TYR A 0 7 . 10.449 8.629 -16.692 1.00 42.96 7 A 1 ATOM 57 C CD1 . TYR A 0 7 . 9.339 8.092 -17.376 1.00 42.96 7 A 1 ATOM 58 C CD2 . TYR A 0 7 . 11.613 8.973 -17.408 1.00 42.96 7 A 1 ATOM 59 C CE1 . TYR A 0 7 . 9.393 7.896 -18.769 1.00 42.96 7 A 1 ATOM 60 C CE2 . TYR A 0 7 . 11.675 8.767 -18.801 1.00 42.96 7 A 1 ATOM 61 O OH . TYR A 0 7 . 10.616 8.021 -20.825 1.00 42.96 7 A 1 ATOM 62 C CZ . TYR A 0 7 . 10.563 8.226 -19.483 1.00 42.96 7 A 1 ATOM 63 N N . ILE A 0 8 . 7.999 10.461 -13.147 1.00 46.61 8 A 1 ATOM 64 C CA . ILE A 0 8 . 7.397 10.498 -11.811 1.00 46.61 8 A 1 ATOM 65 C C . ILE A 0 8 . 6.726 9.148 -11.573 1.00 46.61 8 A 1 ATOM 66 C CB . ILE A 0 8 . 6.402 11.677 -11.659 1.00 46.61 8 A 1 ATOM 67 O O . ILE A 0 8 . 5.690 8.867 -12.166 1.00 46.61 8 A 1 ATOM 68 C CG1 . ILE A 0 8 . 7.094 13.031 -11.945 1.00 46.61 8 A 1 ATOM 69 C CG2 . ILE A 0 8 . 5.787 11.671 -10.243 1.00 46.61 8 A 1 ATOM 70 C CD1 . ILE A 0 8 . 6.155 14.244 -11.907 1.00 46.61 8 A 1 ATOM 71 N N . TYR A 0 9 . 7.288 8.337 -10.678 1.00 44.19 9 A 1 ATOM 72 C CA . TYR A 0 9 . 6.632 7.123 -10.198 1.00 44.19 9 A 1 ATOM 73 C C . TYR A 0 9 . 5.657 7.489 -9.075 1.00 44.19 9 A 1 ATOM 74 C CB . TYR A 0 9 . 7.682 6.091 -9.767 1.00 44.19 9 A 1 ATOM 75 O O . TYR A 0 9 . 6.060 8.013 -8.031 1.00 44.19 9 A 1 ATOM 76 C CG . TYR A 0 9 . 8.531 5.594 -10.922 1.00 44.19 9 A 1 ATOM 77 C CD1 . TYR A 0 9 . 8.072 4.525 -11.718 1.00 44.19 9 A 1 ATOM 78 C CD2 . TYR A 0 9 . 9.765 6.209 -11.218 1.00 44.19 9 A 1 ATOM 79 C CE1 . TYR A 0 9 . 8.841 4.068 -12.804 1.00 44.19 9 A 1 ATOM 80 C CE2 . TYR A 0 9 . 10.533 5.759 -12.309 1.00 44.19 9 A 1 ATOM 81 O OH . TYR A 0 9 . 10.823 4.254 -14.149 1.00 44.19 9 A 1 ATOM 82 C CZ . TYR A 0 9 . 10.075 4.685 -13.101 1.00 44.19 9 A 1 ATOM 83 N N . ILE A 0 10 . 4.362 7.259 -9.300 1.00 47.16 10 A 1 ATOM 84 C CA . ILE A 0 10 . 3.317 7.454 -8.290 1.00 47.16 10 A 1 ATOM 85 C C . ILE A 0 10 . 2.921 6.078 -7.762 1.00 47.16 10 A 1 ATOM 86 C CB . ILE A 0 10 . 2.103 8.239 -8.842 1.00 47.16 10 A 1 ATOM 87 O O . ILE A 0 10 . 2.224 5.327 -8.432 1.00 47.16 10 A 1 ATOM 88 C CG1 . ILE A 0 10 . 2.543 9.593 -9.445 1.00 47.16 10 A 1 ATOM 89 C CG2 . ILE A 0 10 . 1.077 8.460 -7.710 1.00 47.16 10 A 1 ATOM 90 C CD1 . ILE A 0 10 . 1.400 10.426 -10.039 1.00 47.16 10 A 1 ATOM 91 N N . TYR A 0 11 . 3.341 5.763 -6.540 1.00 46.20 11 A 1 ATOM 92 C CA . TYR A 0 11 . 2.898 4.558 -5.845 1.00 46.20 11 A 1 ATOM 93 C C . TYR A 0 11 . 1.591 4.854 -5.100 1.00 46.20 11 A 1 ATOM 94 C CB . TYR A 0 11 . 4.011 4.058 -4.918 1.00 46.20 11 A 1 ATOM 95 O O . TYR A 0 11 . 1.577 5.651 -4.159 1.00 46.20 11 A 1 ATOM 96 C CG . TYR A 0 11 . 5.261 3.624 -5.662 1.00 46.20 11 A 1 ATOM 97 C CD1 . TYR A 0 11 . 5.309 2.347 -6.253 1.00 46.20 11 A 1 ATOM 98 C CD2 . TYR A 0 11 . 6.360 4.499 -5.796 1.00 46.20 11 A 1 ATOM 99 C CE1 . TYR A 0 11 . 6.461 1.931 -6.944 1.00 46.20 11 A 1 ATOM 100 C CE2 . TYR A 0 11 . 7.512 4.090 -6.501 1.00 46.20 11 A 1 ATOM 101 O OH . TYR A 0 11 . 8.665 2.372 -7.743 1.00 46.20 11 A 1 ATOM 102 C CZ . TYR A 0 11 . 7.565 2.797 -7.070 1.00 46.20 11 A 1 ATOM 103 N N . ILE A 0 12 . 0.493 4.228 -5.529 1.00 47.46 12 A 1 ATOM 104 C CA . ILE A 0 12 . -0.814 4.319 -4.865 1.00 47.46 12 A 1 ATOM 105 C C . ILE A 0 12 . -1.053 3.014 -4.106 1.00 47.46 12 A 1 ATOM 106 C CB . ILE A 0 12 . -1.960 4.615 -5.865 1.00 47.46 12 A 1 ATOM 107 O O . ILE A 0 12 . -1.217 1.964 -4.718 1.00 47.46 12 A 1 ATOM 108 C CG1 . ILE A 0 12 . -1.648 5.860 -6.729 1.00 47.46 12 A 1 ATOM 109 C CG2 . ILE A 0 12 . -3.279 4.813 -5.089 1.00 47.46 12 A 1 ATOM 110 C CD1 . ILE A 0 12 . -2.721 6.192 -7.773 1.00 47.46 12 A 1 ATOM 111 N N . TYR A 0 13 . -1.108 3.087 -2.777 1.00 47.36 13 A 1 ATOM 112 C CA . TYR A 0 13 . -1.572 1.976 -1.948 1.00 47.36 13 A 1 ATOM 113 C C . TYR A 0 13 . -3.074 2.119 -1.717 1.00 47.36 13 A 1 ATOM 114 C CB . TYR A 0 13 . -0.818 1.936 -0.619 1.00 47.36 13 A 1 ATOM 115 O O . TYR A 0 13 . -3.514 3.070 -1.069 1.00 47.36 13 A 1 ATOM 116 C CG . TYR A 0 13 . 0.661 1.659 -0.758 1.00 47.36 13 A 1 ATOM 117 C CD1 . TYR A 0 13 . 1.121 0.334 -0.897 1.00 47.36 13 A 1 ATOM 118 C CD2 . TYR A 0 13 . 1.572 2.730 -0.729 1.00 47.36 13 A 1 ATOM 119 C CE1 . TYR A 0 13 . 2.502 0.071 -0.948 1.00 47.36 13 A 1 ATOM 120 C CE2 . TYR A 0 13 . 2.950 2.472 -0.769 1.00 47.36 13 A 1 ATOM 121 O OH . TYR A 0 13 . 4.736 0.927 -0.755 1.00 47.36 13 A 1 ATOM 122 C CZ . TYR A 0 13 . 3.409 1.146 -0.844 1.00 47.36 13 A 1 ATOM 123 N N . ILE A 0 14 . -3.858 1.177 -2.239 1.00 46.13 14 A 1 ATOM 124 C CA . ILE A 0 14 . -5.307 1.115 -2.032 1.00 46.13 14 A 1 ATOM 125 C C . ILE A 0 14 . -5.584 -0.005 -1.031 1.00 46.13 14 A 1 ATOM 126 C CB . ILE A 0 14 . -6.064 0.904 -3.365 1.00 46.13 14 A 1 ATOM 127 O O . ILE A 0 14 . -5.294 -1.162 -1.311 1.00 46.13 14 A 1 ATOM 128 C CG1 . ILE A 0 14 . -5.649 1.962 -4.416 1.00 46.13 14 A 1 ATOM 129 C CG2 . ILE A 0 14 . -7.584 0.951 -3.109 1.00 46.13 14 A 1 ATOM 130 C CD1 . ILE A 0 14 . -6.314 1.795 -5.787 1.00 46.13 14 A 1 ATOM 131 N N . TYR A 0 15 . -6.154 0.334 0.124 1.00 45.47 15 A 1 ATOM 132 C CA . TYR A 0 15 . -6.635 -0.649 1.095 1.00 45.47 15 A 1 ATOM 133 C C . TYR A 0 15 . -8.144 -0.829 0.901 1.00 45.47 15 A 1 ATOM 134 C CB . TYR A 0 15 . -6.277 -0.207 2.521 1.00 45.47 15 A 1 ATOM 135 O O . TYR A 0 15 . -8.925 0.058 1.249 1.00 45.47 15 A 1 ATOM 136 C CG . TYR A 0 15 . -4.793 -0.266 2.843 1.00 45.47 15 A 1 ATOM 137 C CD1 . TYR A 0 15 . -4.250 -1.422 3.434 1.00 45.47 15 A 1 ATOM 138 C CD2 . TYR A 0 15 . -3.957 0.836 2.565 1.00 45.47 15 A 1 ATOM 139 C CE1 . TYR A 0 15 . -2.885 -1.464 3.769 1.00 45.47 15 A 1 ATOM 140 C CE2 . TYR A 0 15 . -2.583 0.782 2.874 1.00 45.47 15 A 1 ATOM 141 O OH . TYR A 0 15 . -0.724 -0.432 3.792 1.00 45.47 15 A 1 ATOM 142 C CZ . TYR A 0 15 . -2.046 -0.372 3.482 1.00 45.47 15 A 1 ATOM 143 N N . ILE A 0 16 . -8.559 -1.958 0.323 1.00 44.16 16 A 1 ATOM 144 C CA . ILE A 0 16 . -9.975 -2.317 0.163 1.00 44.16 16 A 1 ATOM 145 C C . ILE A 0 16 . -10.428 -3.051 1.430 1.00 44.16 16 A 1 ATOM 146 C CB . ILE A 0 16 . -10.209 -3.142 -1.128 1.00 44.16 16 A 1 ATOM 147 O O . ILE A 0 16 . -9.934 -4.130 1.744 1.00 44.16 16 A 1 ATOM 148 C CG1 . ILE A 0 16 . -9.762 -2.335 -2.371 1.00 44.16 16 A 1 ATOM 149 C CG2 . ILE A 0 16 . -11.694 -3.545 -1.243 1.00 44.16 16 A 1 ATOM 150 C CD1 . ILE A 0 16 . -9.847 -3.102 -3.697 1.00 44.16 16 A 1 ATOM 151 N N . TYR A 0 17 . -11.378 -2.470 2.164 1.00 43.00 17 A 1 ATOM 152 C CA . TYR A 0 17 . -11.993 -3.102 3.333 1.00 43.00 17 A 1 ATOM 153 C C . TYR A 0 17 . -13.067 -4.103 2.884 1.00 43.00 17 A 1 ATOM 154 C CB . TYR A 0 17 . -12.566 -2.035 4.282 1.00 43.00 17 A 1 ATOM 155 O O . TYR A 0 17 . -14.256 -3.788 2.878 1.00 43.00 17 A 1 ATOM 156 C CG . TYR A 0 17 . -11.529 -1.173 4.975 1.00 43.00 17 A 1 ATOM 157 C CD1 . TYR A 0 17 . -10.965 -1.596 6.195 1.00 43.00 17 A 1 ATOM 158 C CD2 . TYR A 0 17 . -11.139 0.057 4.411 1.00 43.00 17 A 1 ATOM 159 C CE1 . TYR A 0 17 . -10.016 -0.789 6.852 1.00 43.00 17 A 1 ATOM 160 C CE2 . TYR A 0 17 . -10.186 0.864 5.062 1.00 43.00 17 A 1 ATOM 161 O OH . TYR A 0 17 . -8.707 1.216 6.922 1.00 43.00 17 A 1 ATOM 162 C CZ . TYR A 0 17 . -9.626 0.442 6.286 1.00 43.00 17 A 1 ATOM 163 N N . SER A 0 18 . -12.664 -5.310 2.487 1.00 38.92 18 A 1 ATOM 164 C CA . SER A 0 18 . -13.615 -6.419 2.370 1.00 38.92 18 A 1 ATOM 165 C C . SER A 0 18 . -13.905 -6.996 3.756 1.00 38.92 18 A 1 ATOM 166 C CB . SER A 0 18 . -13.109 -7.494 1.409 1.00 38.92 18 A 1 ATOM 167 O O . SER A 0 18 . -13.016 -7.113 4.599 1.00 38.92 18 A 1 ATOM 168 O OG . SER A 0 18 . -14.057 -8.546 1.321 1.00 38.92 18 A 1 ATOM 169 N N . ARG A 0 19 . -15.166 -7.377 3.999 1.00 44.31 19 A 1 ATOM 170 C CA . ARG A 0 19 . -15.590 -8.099 5.214 1.00 44.31 19 A 1 ATOM 171 C C . ARG A 0 19 . -14.875 -9.452 5.350 1.00 44.31 19 A 1 ATOM 172 C CB . ARG A 0 19 . -17.119 -8.269 5.171 1.00 44.31 19 A 1 ATOM 173 O O . ARG A 0 19 . -14.817 -10.003 6.445 1.00 44.31 19 A 1 ATOM 174 C CG . ARG A 0 19 . -17.776 -8.246 6.558 1.00 44.31 19 A 1 ATOM 175 C CD . ARG A 0 19 . -19.295 -8.402 6.396 1.00 44.31 19 A 1 ATOM 176 N NE . ARG A 0 19 . -20.022 -8.137 7.652 1.00 44.31 19 A 1 ATOM 177 N NH1 . ARG A 0 19 . -22.118 -8.684 6.887 1.00 44.31 19 A 1 ATOM 178 N NH2 . ARG A 0 19 . -21.871 -7.938 8.973 1.00 44.31 19 A 1 ATOM 179 C CZ . ARG A 0 19 . -21.327 -8.254 7.831 1.00 44.31 19 A 1 ATOM 180 N N . TYR A 0 20 . -14.332 -9.953 4.242 1.00 40.37 20 A 1 ATOM 181 C CA . TYR A 0 20 . -13.447 -11.103 4.190 1.00 40.37 20 A 1 ATOM 182 C C . TYR A 0 20 . -12.000 -10.615 4.196 1.00 40.37 20 A 1 ATOM 183 C CB . TYR A 0 20 . -13.812 -11.976 2.987 1.00 40.37 20 A 1 ATOM 184 O O . TYR A 0 20 . -11.610 -9.759 3.407 1.00 40.37 20 A 1 ATOM 185 C CG . TYR A 0 20 . -15.206 -12.557 3.135 1.00 40.37 20 A 1 ATOM 186 C CD1 . TYR A 0 20 . -15.398 -13.704 3.929 1.00 40.37 20 A 1 ATOM 187 C CD2 . TYR A 0 20 . -16.313 -11.915 2.545 1.00 40.37 20 A 1 ATOM 188 C CE1 . TYR A 0 20 . -16.693 -14.217 4.131 1.00 40.37 20 A 1 ATOM 189 C CE2 . TYR A 0 20 . -17.611 -12.422 2.750 1.00 40.37 20 A 1 ATOM 190 O OH . TYR A 0 20 . -19.056 -14.058 3.738 1.00 40.37 20 A 1 ATOM 191 C CZ . TYR A 0 20 . -17.802 -13.574 3.541 1.00 40.37 20 A 1 ATOM 192 N N . THR A 0 21 . -11.255 -11.138 5.162 1.00 43.26 21 A 1 ATOM 193 C CA . THR A 0 21 . -9.912 -10.789 5.636 1.00 43.26 21 A 1 ATOM 194 C C . THR A 0 21 . -8.801 -10.952 4.595 1.00 43.26 21 A 1 ATOM 195 C CB . THR A 0 21 . -9.615 -11.668 6.869 1.00 43.26 21 A 1 ATOM 196 O O . THR A 0 21 . -7.826 -11.656 4.833 1.00 43.26 21 A 1 ATOM 197 C CG2 . THR A 0 21 . -10.379 -11.205 8.107 1.00 43.26 21 A 1 ATOM 198 O OG1 . THR A 0 21 . -10.029 -12.995 6.614 1.00 43.26 21 A 1 ATOM 199 N N . GLU A 0 22 . -8.907 -10.280 3.458 1.00 43.43 22 A 1 ATOM 200 C CA . GLU A 0 22 . -7.824 -10.169 2.485 1.00 43.43 22 A 1 ATOM 201 C C . GLU A 0 22 . -7.414 -8.702 2.396 1.00 43.43 22 A 1 ATOM 202 C CB . GLU A 0 22 . -8.199 -10.826 1.151 1.00 43.43 22 A 1 ATOM 203 O O . GLU A 0 22 . -7.899 -7.917 1.582 1.00 43.43 22 A 1 ATOM 204 C CG . GLU A 0 22 . -8.377 -12.344 1.347 1.00 43.43 22 A 1 ATOM 205 C CD . GLU A 0 22 . -8.510 -13.131 0.038 1.00 43.43 22 A 1 ATOM 206 O OE1 . GLU A 0 22 . -8.619 -14.373 0.141 1.00 43.43 22 A 1 ATOM 207 O OE2 . GLU A 0 22 . -8.512 -12.501 -1.044 1.00 43.43 22 A 1 ATOM 208 N N . GLN A 0 23 . -6.540 -8.301 3.321 1.00 49.10 23 A 1 ATOM 209 C CA . GLN A 0 23 . -5.838 -7.030 3.213 1.00 49.10 23 A 1 ATOM 210 C C . GLN A 0 23 . -4.789 -7.179 2.108 1.00 49.10 23 A 1 ATOM 211 C CB . GLN A 0 23 . -5.202 -6.644 4.555 1.00 49.10 23 A 1 ATOM 212 O O . GLN A 0 23 . -3.717 -7.743 2.326 1.00 49.10 23 A 1 ATOM 213 C CG . GLN A 0 23 . -6.230 -6.220 5.613 1.00 49.10 23 A 1 ATOM 214 C CD . GLN A 0 23 . -5.581 -5.777 6.923 1.00 49.10 23 A 1 ATOM 215 N NE2 . GLN A 0 23 . -6.297 -5.062 7.764 1.00 49.10 23 A 1 ATOM 216 O OE1 . GLN A 0 23 . -4.438 -6.053 7.240 1.00 49.10 23 A 1 ATOM 217 N N . LEU A 0 24 . -5.117 -6.700 0.912 1.00 48.92 24 A 1 ATOM 218 C CA . LEU A 0 24 . -4.190 -6.647 -0.211 1.00 48.92 24 A 1 ATOM 219 C C . LEU A 0 24 . -3.426 -5.325 -0.136 1.00 48.92 24 A 1 ATOM 220 C CB . LEU A 0 24 . -4.960 -6.813 -1.537 1.00 48.92 24 A 1 ATOM 221 O O . LEU A 0 24 . -4.012 -4.251 -0.261 1.00 48.92 24 A 1 ATOM 222 C CG . LEU A 0 24 . -5.696 -8.162 -1.674 1.00 48.92 24 A 1 ATOM 223 C CD1 . LEU A 0 24 . -6.684 -8.102 -2.838 1.00 48.92 24 A 1 ATOM 224 C CD2 . LEU A 0 24 . -4.749 -9.331 -1.931 1.00 48.92 24 A 1 ATOM 225 N N . THR A 0 25 . -2.112 -5.395 0.057 1.00 55.13 25 A 1 ATOM 226 C CA . THR A 0 25 . -1.220 -4.278 -0.278 1.00 55.13 25 A 1 ATOM 227 C C . THR A 0 25 . -0.541 -4.594 -1.580 1.00 55.13 25 A 1 ATOM 228 C CB . THR A 0 25 . -0.144 -3.997 0.769 1.00 55.13 25 A 1 ATOM 229 O O . THR A 0 25 . 0.128 -5.617 -1.691 1.00 55.13 25 A 1 ATOM 230 C CG2 . THR A 0 25 . -0.725 -3.140 1.881 1.00 55.13 25 A 1 ATOM 231 O OG1 . THR A 0 25 . 0.403 -5.178 1.302 1.00 55.13 25 A 1 ATOM 232 N N . GLY A 0 26 . -0.691 -3.714 -2.557 1.00 54.58 26 A 1 ATOM 233 C CA . GLY A 0 26 . -0.064 -3.894 -3.847 1.00 54.58 26 A 1 ATOM 234 C C . GLY A 0 26 . 0.576 -2.637 -4.386 1.00 54.58 26 A 1 ATOM 235 O O . GLY A 0 26 . 0.310 -1.531 -3.913 1.00 54.58 26 A 1 ATOM 236 N N . TRP A 0 27 . 1.420 -2.837 -5.387 1.00 57.99 27 A 1 ATOM 237 C CA . TRP A 0 27 . 2.004 -1.772 -6.189 1.00 57.99 27 A 1 ATOM 238 C C . TRP A 0 27 . 1.348 -1.839 -7.561 1.00 57.99 27 A 1 ATOM 239 C CB . TRP A 0 27 . 3.533 -1.913 -6.282 1.00 57.99 27 A 1 ATOM 240 O O . TRP A 0 27 . 1.256 -2.921 -8.145 1.00 57.99 27 A 1 ATOM 241 C CG . TRP A 0 27 . 4.217 -2.498 -5.082 1.00 57.99 27 A 1 ATOM 242 C CD1 . TRP A 0 27 . 4.241 -3.814 -4.780 1.00 57.99 27 A 1 ATOM 243 C CD2 . TRP A 0 27 . 4.982 -1.850 -4.024 1.00 57.99 27 A 1 ATOM 244 C CE2 . TRP A 0 27 . 5.414 -2.852 -3.100 1.00 57.99 27 A 1 ATOM 245 C CE3 . TRP A 0 27 . 5.394 -0.529 -3.766 1.00 57.99 27 A 1 ATOM 246 N NE1 . TRP A 0 27 . 4.941 -4.031 -3.618 1.00 57.99 27 A 1 ATOM 247 C CH2 . TRP A 0 27 . 6.601 -1.240 -1.759 1.00 57.99 27 A 1 ATOM 248 C CZ2 . TRP A 0 27 . 6.175 -2.559 -1.963 1.00 57.99 27 A 1 ATOM 249 C CZ3 . TRP A 0 27 . 6.244 -0.242 -2.685 1.00 57.99 27 A 1 ATOM 250 N N . PHE A 0 28 . 0.895 -0.692 -8.060 1.00 55.11 28 A 1 ATOM 251 C CA . PHE A 0 28 . 0.474 -0.539 -9.445 1.00 55.11 28 A 1 ATOM 252 C C . PHE A 0 28 . 1.606 0.134 -10.216 1.00 55.11 28 A 1 ATOM 253 C CB . PHE A 0 28 . -0.833 0.262 -9.503 1.00 55.11 28 A 1 ATOM 254 O O . PHE A 0 28 . 1.935 1.289 -9.936 1.00 55.11 28 A 1 ATOM 255 C CG . PHE A 0 28 . -1.405 0.343 -10.902 1.00 55.11 28 A 1 ATOM 256 C CD1 . PHE A 0 28 . -1.251 1.507 -11.677 1.00 55.11 28 A 1 ATOM 257 C CD2 . PHE A 0 28 . -2.073 -0.770 -11.442 1.00 55.11 28 A 1 ATOM 258 C CE1 . PHE A 0 28 . -1.770 1.553 -12.985 1.00 55.11 28 A 1 ATOM 259 C CE2 . PHE A 0 28 . -2.578 -0.729 -12.752 1.00 55.11 28 A 1 ATOM 260 C CZ . PHE A 0 28 . -2.428 0.434 -13.524 1.00 55.11 28 A 1 ATOM 261 N N . ASP A 0 29 . 2.213 -0.585 -11.157 1.00 55.71 29 A 1 ATOM 262 C CA . ASP A 0 29 . 3.181 -0.002 -12.077 1.00 55.71 29 A 1 ATOM 263 C C . ASP A 0 29 . 2.435 0.565 -13.291 1.00 55.71 29 A 1 ATOM 264 C CB . ASP A 0 29 . 4.259 -1.023 -12.461 1.00 55.71 29 A 1 ATOM 265 O O . ASP A 0 29 . 1.927 -0.170 -14.142 1.00 55.71 29 A 1 ATOM 266 C CG . ASP A 0 29 . 5.439 -0.348 -13.169 1.00 55.71 29 A 1 ATOM 267 O OD1 . ASP A 0 29 . 5.220 0.700 -13.825 1.00 55.71 29 A 1 ATOM 268 O OD2 . ASP A 0 29 . 6.562 -0.879 -13.055 1.00 55.71 29 A 1 ATOM 269 N N . THR A 0 30 . 2.364 1.895 -13.377 1.00 57.52 30 A 1 ATOM 270 C CA . THR A 0 30 . 1.694 2.601 -14.479 1.00 57.52 30 A 1 ATOM 271 C C . THR A 0 30 . 2.411 2.440 -15.822 1.00 57.52 30 A 1 ATOM 272 C CB . THR A 0 30 . 1.572 4.106 -14.182 1.00 57.52 30 A 1 ATOM 273 O O . THR A 0 30 . 1.819 2.739 -16.854 1.00 57.52 30 A 1 ATOM 274 C CG2 . THR A 0 30 . 0.701 4.423 -12.966 1.00 57.52 30 A 1 ATOM 275 O OG1 . THR A 0 30 . 2.838 4.669 -13.912 1.00 57.52 30 A 1 ATOM 276 N N . VAL A 0 31 . 3.682 2.023 -15.831 1.00 57.97 31 A 1 ATOM 277 C CA . VAL A 0 31 . 4.487 1.886 -17.056 1.00 57.97 31 A 1 ATOM 278 C C . VAL A 0 31 . 4.188 0.553 -17.737 1.00 57.97 31 A 1 ATOM 279 C CB . VAL A 0 31 . 5.992 2.034 -16.749 1.00 57.97 31 A 1 ATOM 280 O O . VAL A 0 31 . 3.921 0.518 -18.937 1.00 57.97 31 A 1 ATOM 281 C CG1 . VAL A 0 31 . 6.838 1.959 -18.026 1.00 57.97 31 A 1 ATOM 282 C CG2 . VAL A 0 31 . 6.285 3.381 -16.067 1.00 57.97 31 A 1 ATOM 283 N N . TYR A 0 32 . 4.167 -0.535 -16.966 1.00 59.76 32 A 1 ATOM 284 C CA . TYR A 0 32 . 3.896 -1.881 -17.484 1.00 59.76 32 A 1 ATOM 285 C C . TYR A 0 32 . 2.434 -2.319 -17.336 1.00 59.76 32 A 1 ATOM 286 C CB . TYR A 0 32 . 4.874 -2.879 -16.854 1.00 59.76 32 A 1 ATOM 287 O O . TYR A 0 32 . 2.085 -3.408 -17.783 1.00 59.76 32 A 1 ATOM 288 C CG . TYR A 0 32 . 6.326 -2.559 -17.152 1.00 59.76 32 A 1 ATOM 289 C CD1 . TYR A 0 32 . 6.824 -2.677 -18.464 1.00 59.76 32 A 1 ATOM 290 C CD2 . TYR A 0 32 . 7.173 -2.115 -16.121 1.00 59.76 32 A 1 ATOM 291 C CE1 . TYR A 0 32 . 8.166 -2.349 -18.741 1.00 59.76 32 A 1 ATOM 292 C CE2 . TYR A 0 32 . 8.512 -1.783 -16.391 1.00 59.76 32 A 1 ATOM 293 O OH . TYR A 0 32 . 10.305 -1.587 -17.970 1.00 59.76 32 A 1 ATOM 294 C CZ . TYR A 0 32 . 9.011 -1.901 -17.704 1.00 59.76 32 A 1 ATOM 295 N N . HIS A 0 33 . 1.574 -1.488 -16.734 1.00 53.23 33 A 1 ATOM 296 C CA . HIS A 0 33 . 0.184 -1.827 -16.399 1.00 53.23 33 A 1 ATOM 297 C C . HIS A 0 33 . 0.071 -3.122 -15.574 1.00 53.23 33 A 1 ATOM 298 C CB . HIS A 0 33 . -0.705 -1.825 -17.656 1.00 53.23 33 A 1 ATOM 299 O O . HIS A 0 33 . -0.917 -3.854 -15.660 1.00 53.23 33 A 1 ATOM 300 C CG . HIS A 0 33 . -0.752 -0.500 -18.368 1.00 53.23 33 A 1 ATOM 301 C CD2 . HIS A 0 33 . -1.776 0.406 -18.329 1.00 53.23 33 A 1 ATOM 302 N ND1 . HIS A 0 33 . 0.226 0.029 -19.178 1.00 53.23 33 A 1 ATOM 303 C CE1 . HIS A 0 33 . -0.197 1.229 -19.606 1.00 53.23 33 A 1 ATOM 304 N NE2 . HIS A 0 33 . -1.420 1.500 -19.122 1.00 53.23 33 A 1 ATOM 305 N N . THR A 0 34 . 1.092 -3.418 -14.769 1.00 54.59 34 A 1 ATOM 306 C CA . THR A 0 34 . 1.131 -4.595 -13.903 1.00 54.59 34 A 1 ATOM 307 C C . THR A 0 34 . 0.759 -4.205 -12.478 1.00 54.59 34 A 1 ATOM 308 C CB . THR A 0 34 . 2.484 -5.321 -13.959 1.00 54.59 34 A 1 ATOM 309 O O . THR A 0 34 . 1.078 -3.120 -11.991 1.00 54.59 34 A 1 ATOM 310 C CG2 . THR A 0 34 . 2.763 -5.916 -15.338 1.00 54.59 34 A 1 ATOM 311 O OG1 . THR A 0 34 . 3.537 -4.442 -13.658 1.00 54.59 34 A 1 ATOM 312 N N . HIS A 0 35 . 0.063 -5.107 -11.793 1.00 56.28 35 A 1 ATOM 313 C CA . HIS A 0 35 . -0.200 -4.997 -10.366 1.00 56.28 35 A 1 ATOM 314 C C . HIS A 0 35 . 0.354 -6.234 -9.674 1.00 56.28 35 A 1 ATOM 315 C CB . HIS A 0 35 . -1.692 -4.770 -10.087 1.00 56.28 35 A 1 ATOM 316 O O . HIS A 0 35 . 0.233 -7.351 -10.174 1.00 56.28 35 A 1 ATOM 317 C CG . HIS A 0 35 . -2.590 -5.887 -10.551 1.00 56.28 35 A 1 ATOM 318 C CD2 . HIS A 0 35 . -3.127 -6.881 -9.777 1.00 56.28 35 A 1 ATOM 319 N ND1 . HIS A 0 35 . -3.015 -6.103 -11.843 1.00 56.28 35 A 1 ATOM 320 C CE1 . HIS A 0 35 . -3.784 -7.205 -11.846 1.00 56.28 35 A 1 ATOM 321 N NE2 . HIS A 0 35 . -3.888 -7.708 -10.608 1.00 56.28 35 A 1 ATOM 322 N N . THR A 0 36 . 0.969 -6.037 -8.517 1.00 56.86 36 A 1 ATOM 323 C CA . THR A 0 36 . 1.307 -7.139 -7.614 1.00 56.86 36 A 1 ATOM 324 C C . THR A 0 36 . 0.566 -6.902 -6.319 1.00 56.86 36 A 1 ATOM 325 C CB . THR A 0 36 . 2.818 -7.275 -7.384 1.00 56.86 36 A 1 ATOM 326 O O . THR A 0 36 . 0.647 -5.807 -5.775 1.00 56.86 36 A 1 ATOM 327 C CG2 . THR A 0 36 . 3.538 -7.782 -8.630 1.00 56.86 36 A 1 ATOM 328 O OG1 . THR A 0 36 . 3.398 -6.035 -7.084 1.00 56.86 36 A 1 ATOM 329 N N . CYS A 0 37 . -0.175 -7.899 -5.844 1.00 53.59 37 A 1 ATOM 330 C CA . CYS A 0 37 . -0.854 -7.852 -4.557 1.00 53.59 37 A 1 ATOM 331 C C . CYS A 0 37 . -0.131 -8.796 -3.600 1.00 53.59 37 A 1 ATOM 332 C CB . CYS A 0 37 . -2.328 -8.233 -4.719 1.00 53.59 37 A 1 ATOM 333 O O . CYS A 0 37 . 0.008 -9.985 -3.876 1.00 53.59 37 A 1 ATOM 334 S SG . CYS A 0 37 . -3.190 -7.058 -5.803 1.00 53.59 37 A 1 ATOM 335 N N . ILE A 0 38 . 0.336 -8.265 -2.480 1.00 54.28 38 A 1 ATOM 336 C CA . ILE A 0 38 . 0.860 -9.042 -1.366 1.00 54.28 38 A 1 ATOM 337 C C . ILE A 0 38 . -0.255 -9.094 -0.327 1.00 54.28 38 A 1 ATOM 338 C CB . ILE A 0 38 . 2.171 -8.426 -0.823 1.00 54.28 38 A 1 ATOM 339 O O . ILE A 0 38 . -0.722 -8.050 0.139 1.00 54.28 38 A 1 ATOM 340 C CG1 . ILE A 0 38 . 3.237 -8.317 -1.941 1.00 54.28 38 A 1 ATOM 341 C CG2 . ILE A 0 38 . 2.701 -9.275 0.348 1.00 54.28 38 A 1 ATOM 342 C CD1 . ILE A 0 38 . 4.497 -7.543 -1.534 1.00 54.28 38 A 1 ATOM 343 N N . ASN A 0 39 . -0.672 -10.307 0.036 1.00 49.90 39 A 1 ATOM 344 C CA . ASN A 0 39 . -1.493 -10.513 1.221 1.00 49.90 39 A 1 ATOM 345 C C . ASN A 0 39 . -0.690 -10.013 2.417 1.00 49.90 39 A 1 ATOM 346 C CB . ASN A 0 39 . -1.846 -12.008 1.367 1.00 49.90 39 A 1 ATOM 347 O O . ASN A 0 39 . 0.375 -10.563 2.712 1.00 49.90 39 A 1 ATOM 348 C CG . ASN A 0 39 . -2.900 -12.462 0.376 1.00 49.90 39 A 1 ATOM 349 N ND2 . ASN A 0 39 . -3.074 -13.748 0.183 1.00 49.90 39 A 1 ATOM 350 O OD1 . ASN A 0 39 . -3.588 -11.672 -0.232 1.00 49.90 39 A 1 ATOM 351 N N . ILE A 0 40 . -1.171 -8.976 3.101 1.00 51.00 40 A 1 ATOM 352 C CA . ILE A 0 40 . -0.592 -8.610 4.389 1.00 51.00 40 A 1 ATOM 353 C C . ILE A 0 40 . -0.820 -9.823 5.292 1.00 51.00 40 A 1 ATOM 354 C CB . ILE A 0 40 . -1.230 -7.344 4.991 1.00 51.00 40 A 1 ATOM 355 O O . ILE A 0 40 . -1.978 -10.200 5.504 1.00 51.00 40 A 1 ATOM 356 C CG1 . ILE A 0 40 . -1.141 -6.153 4.021 1.00 51.00 40 A 1 ATOM 357 C CG2 . ILE A 0 40 . -0.530 -6.991 6.320 1.00 51.00 40 A 1 ATOM 358 C CD1 . ILE A 0 40 . -1.923 -4.938 4.529 1.00 51.00 40 A 1 ATOM 359 N N . PRO A 0 41 . 0.234 -10.479 5.809 1.00 47.39 41 A 1 ATOM 360 C CA . PRO A 0 41 . 0.025 -11.549 6.759 1.00 47.39 41 A 1 ATOM 361 C C . PRO A 0 41 . -0.723 -10.952 7.950 1.00 47.39 41 A 1 ATOM 362 C CB . PRO A 0 41 . 1.413 -12.111 7.074 1.00 47.39 41 A 1 ATOM 363 O O . PRO A 0 41 . -0.376 -9.878 8.441 1.00 47.39 41 A 1 ATOM 364 C CG . PRO A 0 41 . 2.352 -10.941 6.781 1.00 47.39 41 A 1 ATOM 365 C CD . PRO A 0 41 . 1.649 -10.186 5.654 1.00 47.39 41 A 1 ATOM 366 N N . GLN A 0 42 . -1.766 -11.658 8.377 1.00 45.11 42 A 1 ATOM 367 C CA . GLN A 0 42 . -2.786 -11.317 9.377 1.00 45.11 42 A 1 ATOM 368 C C . GLN A 0 42 . -2.238 -11.004 10.795 1.00 45.11 42 A 1 ATOM 369 C CB . GLN A 0 42 . -3.776 -12.504 9.381 1.00 45.11 42 A 1 ATOM 370 O O . GLN A 0 42 . -2.957 -11.082 11.786 1.00 45.11 42 A 1 ATOM 371 C CG . GLN A 0 42 . -5.259 -12.114 9.367 1.00 45.11 42 A 1 ATOM 372 C CD . GLN A 0 42 . -6.161 -13.347 9.280 1.00 45.11 42 A 1 ATOM 373 N NE2 . GLN A 0 42 . -7.431 -13.220 9.591 1.00 45.11 42 A 1 ATOM 374 O OE1 . GLN A 0 42 . -5.756 -14.442 8.932 1.00 45.11 42 A 1 ATOM 375 N N . VAL A 0 43 . -0.957 -10.645 10.922 1.00 39.79 43 A 1 ATOM 376 C CA . VAL A 0 43 . -0.223 -10.374 12.166 1.00 39.79 43 A 1 ATOM 377 C C . VAL A 0 43 . -0.755 -9.139 12.900 1.00 39.79 43 A 1 ATOM 378 C CB . VAL A 0 43 . 1.296 -10.260 11.892 1.00 39.79 43 A 1 ATOM 379 O O . VAL A 0 43 . -0.454 -8.940 14.074 1.00 39.79 43 A 1 ATOM 380 C CG1 . VAL A 0 43 . 2.126 -10.279 13.183 1.00 39.79 43 A 1 ATOM 381 C CG2 . VAL A 0 43 . 1.812 -11.427 11.036 1.00 39.79 43 A 1 ATOM 382 N N . ILE A 0 44 . -1.633 -8.345 12.289 1.00 43.47 44 A 1 ATOM 383 C CA . ILE A 0 44 . -2.350 -7.281 12.994 1.00 43.47 44 A 1 ATOM 384 C C . ILE A 0 44 . -3.604 -7.888 13.657 1.00 43.47 44 A 1 ATOM 385 C CB . ILE A 0 44 . -2.550 -6.042 12.088 1.00 43.47 44 A 1 ATOM 386 O O . ILE A 0 44 . -4.737 -7.539 13.346 1.00 43.47 44 A 1 ATOM 387 C CG1 . ILE A 0 44 . -1.210 -5.607 11.441 1.00 43.47 44 A 1 ATOM 388 C CG2 . ILE A 0 44 . -3.109 -4.877 12.924 1.00 43.47 44 A 1 ATOM 389 C CD1 . ILE A 0 44 . -1.336 -4.497 10.393 1.00 43.47 44 A 1 ATOM 390 N N . HIS A 0 45 . -3.398 -8.791 14.623 1.00 41.00 45 A 1 ATOM 391 C CA . HIS A 0 45 . -4.424 -9.307 15.551 1.00 41.00 45 A 1 ATOM 392 C C . HIS A 0 45 . -4.928 -8.241 16.550 1.00 41.00 45 A 1 ATOM 393 C CB . HIS A 0 45 . -3.906 -10.575 16.260 1.00 41.00 45 A 1 ATOM 394 O O . HIS A 0 45 . -5.424 -8.546 17.631 1.00 41.00 45 A 1 ATOM 395 C CG . HIS A 0 45 . -4.229 -11.848 15.529 1.00 41.00 45 A 1 ATOM 396 C CD2 . HIS A 0 45 . -5.458 -12.448 15.450 1.00 41.00 45 A 1 ATOM 397 N ND1 . HIS A 0 45 . -3.340 -12.656 14.861 1.00 41.00 45 A 1 ATOM 398 C CE1 . HIS A 0 45 . -4.019 -13.712 14.382 1.00 41.00 45 A 1 ATOM 399 N NE2 . HIS A 0 45 . -5.314 -13.629 14.718 1.00 41.00 45 A 1 ATOM 400 N N . SER A 0 46 . -4.825 -6.958 16.210 1.00 42.46 46 A 1 ATOM 401 C CA . SER A 0 46 . -5.419 -5.881 16.988 1.00 42.46 46 A 1 ATOM 402 C C . SER A 0 46 . -5.973 -4.845 16.018 1.00 42.46 46 A 1 ATOM 403 C CB . SER A 0 46 . -4.373 -5.272 17.923 1.00 42.46 46 A 1 ATOM 404 O O . SER A 0 46 . -5.197 -4.338 15.210 1.00 42.46 46 A 1 ATOM 405 O OG . SER A 0 46 . -5.012 -4.473 18.900 1.00 42.46 46 A 1 ATOM 406 N N . PRO A 0 47 . -7.275 -4.505 16.061 1.00 42.53 47 A 1 ATOM 407 C CA . PRO A 0 47 . -7.875 -3.477 15.214 1.00 42.53 47 A 1 ATOM 408 C C . PRO A 0 47 . -7.394 -2.085 15.655 1.00 42.53 47 A 1 ATOM 409 C CB . PRO A 0 47 . -9.388 -3.694 15.332 1.00 42.53 47 A 1 ATOM 410 O O . PRO A 0 47 . -8.154 -1.245 16.125 1.00 42.53 47 A 1 ATOM 411 C CG . PRO A 0 47 . -9.542 -4.232 16.753 1.00 42.53 47 A 1 ATOM 412 C CD . PRO A 0 47 . -8.281 -5.071 16.946 1.00 42.53 47 A 1 ATOM 413 N N . LYS A 0 48 . -6.093 -1.829 15.541 1.00 38.75 48 A 1 ATOM 414 C CA . LYS A 0 48 . -5.496 -0.507 15.652 1.00 38.75 48 A 1 ATOM 415 C C . LYS A 0 48 . -5.322 -0.012 14.227 1.00 38.75 48 A 1 ATOM 416 C CB . LYS A 0 48 . -4.197 -0.560 16.480 1.00 38.75 48 A 1 ATOM 417 O O . LYS A 0 48 . -4.352 -0.352 13.564 1.00 38.75 48 A 1 ATOM 418 C CG . LYS A 0 48 . -4.377 0.202 17.800 1.00 38.75 48 A 1 ATOM 419 C CD . LYS A 0 48 . -3.102 0.141 18.649 1.00 38.75 48 A 1 ATOM 420 C CE . LYS A 0 48 . -3.285 0.957 19.935 1.00 38.75 48 A 1 ATOM 421 N NZ . LYS A 0 48 . -2.103 0.842 20.826 1.00 38.75 48 A 1 ATOM 422 N N . TYR A 0 49 . -6.334 0.721 13.772 1.00 36.76 49 A 1 ATOM 423 C CA . TYR A 0 49 . -6.336 1.643 12.635 1.00 36.76 49 A 1 ATOM 424 C C . TYR A 0 49 . -4.988 1.737 11.896 1.00 36.76 49 A 1 ATOM 425 C CB . TYR A 0 49 . -6.737 3.023 13.186 1.00 36.76 49 A 1 ATOM 426 O O . TYR A 0 49 . -4.044 2.359 12.390 1.00 36.76 49 A 1 ATOM 427 C CG . TYR A 0 49 . -8.039 3.026 13.968 1.00 36.76 49 A 1 ATOM 428 C CD1 . TYR A 0 49 . -9.258 3.204 13.289 1.00 36.76 49 A 1 ATOM 429 C CD2 . TYR A 0 49 . -8.035 2.829 15.366 1.00 36.76 49 A 1 ATOM 430 C CE1 . TYR A 0 49 . -10.470 3.195 14.003 1.00 36.76 49 A 1 ATOM 431 C CE2 . TYR A 0 49 . -9.249 2.805 16.081 1.00 36.76 49 A 1 ATOM 432 O OH . TYR A 0 49 . -11.648 2.987 16.072 1.00 36.76 49 A 1 ATOM 433 C CZ . TYR A 0 49 . -10.470 2.994 15.398 1.00 36.76 49 A 1 ATOM 434 N N . ILE A 0 50 . -4.890 1.136 10.710 1.00 42.39 50 A 1 ATOM 435 C CA . ILE A 0 50 . -3.691 1.252 9.874 1.00 42.39 50 A 1 ATOM 436 C C . ILE A 0 50 . -3.716 2.633 9.211 1.00 42.39 50 A 1 ATOM 437 C CB . ILE A 0 50 . -3.583 0.085 8.868 1.00 42.39 50 A 1 ATOM 438 O O . ILE A 0 50 . -4.678 2.999 8.536 1.00 42.39 50 A 1 ATOM 439 C CG1 . ILE A 0 50 . -3.515 -1.265 9.624 1.00 42.39 50 A 1 ATOM 440 C CG2 . ILE A 0 50 . -2.345 0.261 7.967 1.00 42.39 50 A 1 ATOM 441 C CD1 . ILE A 0 50 . -3.609 -2.488 8.705 1.00 42.39 50 A 1 ATOM 442 N N . ARG A 0 51 . -2.668 3.431 9.444 1.00 34.53 51 A 1 ATOM 443 C CA . ARG A 0 51 . -2.522 4.777 8.875 1.00 34.53 51 A 1 ATOM 444 C C . ARG A 0 51 . -2.125 4.705 7.400 1.00 34.53 51 A 1 ATOM 445 C CB . ARG A 0 51 . -1.497 5.600 9.673 1.00 34.53 51 A 1 ATOM 446 O O . ARG A 0 51 . -1.161 4.035 7.043 1.00 34.53 51 A 1 ATOM 447 C CG . ARG A 0 51 . -2.047 6.102 11.017 1.00 34.53 51 A 1 ATOM 448 C CD . ARG A 0 51 . -0.988 6.961 11.725 1.00 34.53 51 A 1 ATOM 449 N NE . ARG A 0 51 . -1.529 7.629 12.926 1.00 34.53 51 A 1 ATOM 450 N NH1 . ARG A 0 51 . 0.265 9.008 13.329 1.00 34.53 51 A 1 ATOM 451 N NH2 . ARG A 0 51 . -1.534 9.136 14.637 1.00 34.53 51 A 1 ATOM 452 C CZ . ARG A 0 51 . -0.933 8.582 13.622 1.00 34.53 51 A 1 ATOM 453 N N . ILE A 0 52 . -2.829 5.475 6.572 1.00 42.90 52 A 1 ATOM 454 C CA . ILE A 0 52 . -2.508 5.721 5.162 1.00 42.90 52 A 1 ATOM 455 C C . ILE A 0 52 . -1.282 6.641 5.103 1.00 42.90 52 A 1 ATOM 456 C CB . ILE A 0 52 . -3.730 6.348 4.443 1.00 42.90 52 A 1 ATOM 457 O O . ILE A 0 52 . -1.342 7.786 5.548 1.00 42.90 52 A 1 ATOM 458 C CG1 . ILE A 0 52 . -4.975 5.432 4.548 1.00 42.90 52 A 1 ATOM 459 C CG2 . ILE A 0 52 . -3.401 6.643 2.966 1.00 42.90 52 A 1 ATOM 460 C CD1 . ILE A 0 52 . -6.281 6.109 4.112 1.00 42.90 52 A 1 ATOM 461 N N . GLY A 0 53 . -0.165 6.146 4.571 1.00 39.31 53 A 1 ATOM 462 C CA . GLY A 0 53 . 1.032 6.945 4.311 1.00 39.31 53 A 1 ATOM 463 C C . GLY A 0 53 . 1.313 7.034 2.814 1.00 39.31 53 A 1 ATOM 464 O O . GLY A 0 53 . 1.493 6.013 2.160 1.00 39.31 53 A 1 ATOM 465 N N . MET A 0 54 . 1.393 8.250 2.270 1.00 39.43 54 A 1 ATOM 466 C CA . MET A 0 54 . 1.930 8.485 0.927 1.00 39.43 54 A 1 ATOM 467 C C . MET A 0 54 . 3.454 8.605 1.030 1.00 39.43 54 A 1 ATOM 468 C CB . MET A 0 54 . 1.326 9.759 0.311 1.00 39.43 54 A 1 ATOM 469 O O . MET A 0 54 . 3.957 9.610 1.534 1.00 39.43 54 A 1 ATOM 470 C CG . MET A 0 54 . -0.190 9.679 0.104 1.00 39.43 54 A 1 ATOM 471 S SD . MET A 0 54 . -0.897 11.182 -0.628 1.00 39.43 54 A 1 ATOM 472 C CE . MET A 0 54 . -0.673 10.839 -2.394 1.00 39.43 54 A 1 ATOM 473 N N . LYS A 0 55 . 4.212 7.609 0.558 1.00 39.35 55 A 1 ATOM 474 C CA . LYS A 0 55 . 5.670 7.749 0.424 1.00 39.35 55 A 1 ATOM 475 C C . LYS A 0 55 . 6.004 8.183 -1.002 1.00 39.35 55 A 1 ATOM 476 C CB . LYS A 0 55 . 6.400 6.474 0.877 1.00 39.35 55 A 1 ATOM 477 O O . LYS A 0 55 . 5.914 7.402 -1.942 1.00 39.35 55 A 1 ATOM 478 C CG . LYS A 0 55 . 7.900 6.754 1.085 1.00 39.35 55 A 1 ATOM 479 C CD . LYS A 0 55 . 8.641 5.504 1.578 1.00 39.35 55 A 1 ATOM 480 C CE . LYS A 0 55 . 10.136 5.804 1.766 1.00 39.35 55 A 1 ATOM 481 N NZ . LYS A 0 55 . 10.900 4.580 2.121 1.00 39.35 55 A 1 ATOM 482 N N . LYS A 0 56 . 6.391 9.449 -1.165 1.00 35.77 56 A 1 ATOM 483 C CA . LYS A 0 56 . 6.892 9.992 -2.433 1.00 35.77 56 A 1 ATOM 484 C C . LYS A 0 56 . 8.369 9.628 -2.580 1.00 35.77 56 A 1 ATOM 485 C CB . LYS A 0 56 . 6.626 11.507 -2.463 1.00 35.77 56 A 1 ATOM 486 O O . LYS A 0 56 . 9.227 10.350 -2.076 1.00 35.77 56 A 1 ATOM 487 C CG . LYS A 0 56 . 6.951 12.152 -3.820 1.00 35.77 56 A 1 ATOM 488 C CD . LYS A 0 56 . 6.554 13.635 -3.796 1.00 35.77 56 A 1 ATOM 489 C CE . LYS A 0 56 . 6.722 14.280 -5.176 1.00 35.77 56 A 1 ATOM 490 N NZ . LYS A 0 56 . 6.124 15.640 -5.203 1.00 35.77 56 A 1 ATOM 491 N N . THR A 0 57 . 8.677 8.522 -3.249 1.00 41.34 57 A 1 ATOM 492 C CA . THR A 0 57 . 10.069 8.191 -3.587 1.00 41.34 57 A 1 ATOM 493 C C . THR A 0 57 . 10.425 8.850 -4.919 1.00 41.34 57 A 1 ATOM 494 C CB . THR A 0 57 . 10.329 6.678 -3.599 1.00 41.34 57 A 1 ATOM 495 O O . THR A 0 57 . 9.776 8.608 -5.932 1.00 41.34 57 A 1 ATOM 496 C CG2 . THR A 0 57 . 11.827 6.379 -3.577 1.00 41.34 57 A 1 ATOM 497 O OG1 . THR A 0 57 . 9.788 6.083 -2.437 1.00 41.34 57 A 1 ATOM 498 N N . ARG A 0 58 . 11.428 9.735 -4.912 1.00 37.08 58 A 1 ATOM 499 C CA . ARG A 0 58 . 12.035 10.296 -6.127 1.00 37.08 58 A 1 ATOM 500 C C . ARG A 0 58 . 13.232 9.423 -6.488 1.00 37.08 58 A 1 ATOM 501 C CB . ARG A 0 58 . 12.491 11.751 -5.892 1.00 37.08 58 A 1 ATOM 502 O O . ARG A 0 58 . 14.276 9.569 -5.862 1.00 37.08 58 A 1 ATOM 503 C CG . ARG A 0 58 . 11.357 12.784 -5.865 1.00 37.08 58 A 1 ATOM 504 C CD . ARG A 0 58 . 11.956 14.180 -5.627 1.00 37.08 58 A 1 ATOM 505 N NE . ARG A 0 58 . 10.972 15.263 -5.835 1.00 37.08 58 A 1 ATOM 506 N NH1 . ARG A 0 58 . 12.289 16.998 -5.098 1.00 37.08 58 A 1 ATOM 507 N NH2 . ARG A 0 58 . 10.247 17.430 -5.861 1.00 37.08 58 A 1 ATOM 508 C CZ . ARG A 0 58 . 11.171 16.550 -5.592 1.00 37.08 58 A 1 ATOM 509 N N . GLU A 0 59 . 13.098 8.546 -7.473 1.00 37.77 59 A 1 ATOM 510 C CA . GLU A 0 59 . 14.266 7.890 -8.066 1.00 37.77 59 A 1 ATOM 511 C C . GLU A 0 59 . 14.777 8.726 -9.238 1.00 37.77 59 A 1 ATOM 512 C CB . GLU A 0 59 . 13.981 6.430 -8.431 1.00 37.77 59 A 1 ATOM 513 O O . GLU A 0 59 . 14.034 9.104 -10.143 1.00 37.77 59 A 1 ATOM 514 C CG . GLU A 0 59 . 13.964 5.592 -7.142 1.00 37.77 59 A 1 ATOM 515 C CD . GLU A 0 59 . 13.760 4.093 -7.374 1.00 37.77 59 A 1 ATOM 516 O OE1 . GLU A 0 59 . 13.815 3.372 -6.353 1.00 37.77 59 A 1 ATOM 517 O OE2 . GLU A 0 59 . 13.514 3.705 -8.534 1.00 37.77 59 A 1 ATOM 518 N N . ARG A 0 60 . 16.061 9.084 -9.175 1.00 31.43 60 A 1 ATOM 519 C CA . ARG A 0 60 . 16.774 9.776 -10.246 1.00 31.43 60 A 1 ATOM 520 C C . ARG A 0 60 . 17.341 8.695 -11.158 1.00 31.43 60 A 1 ATOM 521 C CB . ARG A 0 60 . 17.862 10.668 -9.618 1.00 31.43 60 A 1 ATOM 522 O O . ARG A 0 60 . 18.318 8.058 -10.782 1.00 31.43 60 A 1 ATOM 523 C CG . ARG A 0 60 . 18.555 11.597 -10.626 1.00 31.43 60 A 1 ATOM 524 C CD . ARG A 0 60 . 19.717 12.333 -9.941 1.00 31.43 60 A 1 ATOM 525 N NE . ARG A 0 60 . 20.163 13.510 -10.714 1.00 31.43 60 A 1 ATOM 526 N NH1 . ARG A 0 60 . 22.220 13.779 -9.721 1.00 31.43 60 A 1 ATOM 527 N NH2 . ARG A 0 60 . 21.540 15.244 -11.254 1.00 31.43 60 A 1 ATOM 528 C CZ . ARG A 0 60 . 21.299 14.168 -10.559 1.00 31.43 60 A 1 ATOM 529 N N . ILE A 0 61 . 16.750 8.490 -12.333 1.00 37.49 61 A 1 ATOM 530 C CA . ILE A 0 61 . 17.360 7.628 -13.351 1.00 37.49 61 A 1 ATOM 531 C C . ILE A 0 61 . 18.606 8.361 -13.857 1.00 37.49 61 A 1 ATOM 532 C CB . ILE A 0 61 . 16.367 7.262 -14.480 1.00 37.49 61 A 1 ATOM 533 O O . ILE A 0 61 . 18.504 9.394 -14.521 1.00 37.49 61 A 1 ATOM 534 C CG1 . ILE A 0 61 . 15.113 6.564 -13.898 1.00 37.49 61 A 1 ATOM 535 C CG2 . ILE A 0 61 . 17.064 6.350 -15.510 1.00 37.49 61 A 1 ATOM 536 C CD1 . ILE A 0 61 . 14.001 6.311 -14.924 1.00 37.49 61 A 1 ATOM 537 N N . ILE A 0 62 . 19.782 7.866 -13.472 1.00 37.90 62 A 1 ATOM 538 C CA . ILE A 0 62 . 21.051 8.249 -14.089 1.00 37.90 62 A 1 ATOM 539 C C . ILE A 0 62 . 21.170 7.337 -15.306 1.00 37.90 62 A 1 ATOM 540 C CB . ILE A 0 62 . 22.243 8.105 -13.112 1.00 37.90 62 A 1 ATOM 541 O O . ILE A 0 62 . 21.315 6.128 -15.147 1.00 37.90 62 A 1 ATOM 542 C CG1 . ILE A 0 62 . 21.968 8.814 -11.762 1.00 37.90 62 A 1 ATOM 543 C CG2 . ILE A 0 62 . 23.508 8.680 -13.779 1.00 37.90 62 A 1 ATOM 544 C CD1 . ILE A 0 62 . 23.055 8.594 -10.702 1.00 37.90 62 A 1 ATOM 545 N N . THR A 0 63 . 20.982 7.906 -16.495 1.00 45.07 63 A 1 ATOM 546 C CA . THR A 0 63 . 21.291 7.231 -17.765 1.00 45.07 63 A 1 ATOM 547 C C . THR A 0 63 . 22.681 7.643 -18.200 1.00 45.07 63 A 1 ATOM 548 C CB . THR A 0 63 . 20.289 7.515 -18.895 1.00 45.07 63 A 1 ATOM 549 O O . THR A 0 63 . 23.019 8.829 -17.963 1.00 45.07 63 A 1 ATOM 550 C CG2 . THR A 0 63 . 19.846 6.219 -19.571 1.00 45.07 63 A 1 ATOM 551 O OG1 . THR A 0 63 . 19.134 8.125 -18.373 1.00 45.07 63 A 1 ATOM 552 O OXT . THR A 0 63 . 23.364 6.759 -18.744 1.00 45.07 63 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 45.55 # loop_ _atom_type.symbol C N O S #