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 ALA 0 3 ALA 0 4 PRO 0 5 LEU 0 6 ARG 0 7 PRO 0 8 VAL 0 9 PRO 0 10 PRO 0 11 GLN 0 12 PRO 0 13 ALA 0 14 PRO 0 15 ARG 0 16 ARG 0 17 LEU 0 18 PRO 0 19 THR 0 20 THR 0 21 ALA 0 22 PRO 0 23 LEU 0 24 GLY 0 25 HIS 0 26 ASP 0 27 THR 0 28 SER 0 29 ASP 0 30 VAL 0 31 LEU 0 32 GLN 0 33 GLN 0 34 ILE 0 35 MET 0 36 ALA 0 37 ILE 0 38 THR 0 39 ASP 0 40 GLN 0 41 SER 0 42 LEU 0 43 ASP 0 44 GLU 0 45 ALA 0 46 GLN 0 47 ALA 0 48 ARG 0 49 LYS 0 50 HIS 0 51 ALA 0 52 LEU 0 53 ASN 0 54 CYS 0 55 HIS 0 56 ARG 0 57 MET 0 58 LYS 0 59 SER 0 60 ALA 0 61 LEU 0 62 PHE 0 63 SER 0 64 VAL 0 65 LEU 0 66 CYS 0 67 GLU 0 68 ILE 0 69 LYS 0 70 GLY 0 71 LYS 0 72 THR 0 73 GLY 0 74 LEU # loop_ _chem_comp.id _chem_comp.type _chem_comp.name ALA 'L-peptide linking' ALANINE ARG 'L-peptide linking' ARGININE ASN 'L-peptide linking' ASPARAGINE ASP 'L-peptide linking' 'ASPARTIC ACID' CYS 'L-peptide linking' CYSTEINE GLN 'L-peptide linking' GLUTAMINE GLU 'L-peptide linking' 'GLUTAMIC ACID' HIS 'L-peptide linking' HISTIDINE ILE 'L-peptide linking' ISOLEUCINE LEU 'L-peptide linking' LEUCINE LYS 'L-peptide linking' LYSINE MET 'L-peptide linking' METHIONINE PHE 'L-peptide linking' PHENYLALANINE PRO 'L-peptide linking' PROLINE SER 'L-peptide linking' SERINE THR 'L-peptide linking' THREONINE TRP 'L-peptide linking' TRYPTOPHAN TYR 'L-peptide linking' TYROSINE VAL 'L-peptide linking' VALINE GLY 'peptide linking' GLYCINE # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.auth_seq_id _atom_site.auth_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . MET A 0 1 . 15.855 36.341 48.182 1.00 55.73 1 A 1 ATOM 2 C CA . MET A 0 1 . 14.517 35.718 48.311 1.00 55.73 1 A 1 ATOM 3 C C . MET A 0 1 . 14.162 35.079 46.975 1.00 55.73 1 A 1 ATOM 4 C CB . MET A 0 1 . 13.473 36.747 48.765 1.00 55.73 1 A 1 ATOM 5 O O . MET A 0 1 . 14.459 35.674 45.949 1.00 55.73 1 A 1 ATOM 6 C CG . MET A 0 1 . 13.558 36.969 50.282 1.00 55.73 1 A 1 ATOM 7 S SD . MET A 0 1 . 12.904 38.568 50.818 1.00 55.73 1 A 1 ATOM 8 C CE . MET A 0 1 . 11.751 38.062 52.124 1.00 55.73 1 A 1 ATOM 9 N N . ALA A 0 2 . 13.676 33.836 47.005 1.00 57.56 2 A 1 ATOM 10 C CA . ALA A 0 2 . 13.581 32.916 45.869 1.00 57.56 2 A 1 ATOM 11 C C . ALA A 0 2 . 12.682 33.429 44.728 1.00 57.56 2 A 1 ATOM 12 C CB . ALA A 0 2 . 13.074 31.574 46.417 1.00 57.56 2 A 1 ATOM 13 O O . ALA A 0 2 . 11.579 33.913 44.972 1.00 57.56 2 A 1 ATOM 14 N N . ALA A 0 3 . 13.162 33.306 43.486 1.00 58.64 3 A 1 ATOM 15 C CA . ALA A 0 3 . 12.402 33.652 42.291 1.00 58.64 3 A 1 ATOM 16 C C . ALA A 0 3 . 11.280 32.617 42.057 1.00 58.64 3 A 1 ATOM 17 C CB . ALA A 0 3 . 13.361 33.741 41.097 1.00 58.64 3 A 1 ATOM 18 O O . ALA A 0 3 . 11.558 31.415 42.077 1.00 58.64 3 A 1 ATOM 19 N N . PRO A 0 4 . 10.023 33.046 41.846 1.00 63.42 4 A 1 ATOM 20 C CA . PRO A 0 4 . 8.898 32.137 41.670 1.00 63.42 4 A 1 ATOM 21 C C . PRO A 0 4 . 9.014 31.377 40.344 1.00 63.42 4 A 1 ATOM 22 C CB . PRO A 0 4 . 7.640 33.007 41.775 1.00 63.42 4 A 1 ATOM 23 O O . PRO A 0 4 . 9.069 31.967 39.263 1.00 63.42 4 A 1 ATOM 24 C CG . PRO A 0 4 . 8.124 34.401 41.378 1.00 63.42 4 A 1 ATOM 25 C CD . PRO A 0 4 . 9.576 34.428 41.842 1.00 63.42 4 A 1 ATOM 26 N N . LEU A 0 5 . 9.051 30.047 40.447 1.00 60.59 5 A 1 ATOM 27 C CA . LEU A 0 5 . 9.006 29.120 39.321 1.00 60.59 5 A 1 ATOM 28 C C . LEU A 0 5 . 7.728 29.378 38.517 1.00 60.59 5 A 1 ATOM 29 C CB . LEU A 0 5 . 9.049 27.674 39.855 1.00 60.59 5 A 1 ATOM 30 O O . LEU A 0 5 . 6.616 29.195 39.012 1.00 60.59 5 A 1 ATOM 31 C CG . LEU A 0 5 . 10.368 27.281 40.549 1.00 60.59 5 A 1 ATOM 32 C CD1 . LEU A 0 5 . 10.218 25.912 41.213 1.00 60.59 5 A 1 ATOM 33 C CD2 . LEU A 0 5 . 11.531 27.209 39.558 1.00 60.59 5 A 1 ATOM 34 N N . ARG A 0 6 . 7.887 29.843 37.276 1.00 68.59 6 A 1 ATOM 35 C CA . ARG A 0 6 . 6.765 30.086 36.365 1.00 68.59 6 A 1 ATOM 36 C C . ARG A 0 6 . 6.102 28.735 36.053 1.00 68.59 6 A 1 ATOM 37 C CB . ARG A 0 6 . 7.239 30.799 35.089 1.00 68.59 6 A 1 ATOM 38 O O . ARG A 0 6 . 6.817 27.826 35.627 1.00 68.59 6 A 1 ATOM 39 C CG . ARG A 0 6 . 7.887 32.161 35.398 1.00 68.59 6 A 1 ATOM 40 C CD . ARG A 0 6 . 8.364 32.872 34.126 1.00 68.59 6 A 1 ATOM 41 N NE . ARG A 0 6 . 7.246 33.455 33.356 1.00 68.59 6 A 1 ATOM 42 N NH1 . ARG A 0 6 . 8.294 33.576 31.313 1.00 68.59 6 A 1 ATOM 43 N NH2 . ARG A 0 6 . 6.224 34.373 31.538 1.00 68.59 6 A 1 ATOM 44 C CZ . ARG A 0 6 . 7.261 33.795 32.078 1.00 68.59 6 A 1 ATOM 45 N N . PRO A 0 7 . 4.780 28.578 36.239 1.00 64.50 7 A 1 ATOM 46 C CA . PRO A 0 7 . 4.084 27.351 35.874 1.00 64.50 7 A 1 ATOM 47 C C . PRO A 0 7 . 4.248 27.112 34.374 1.00 64.50 7 A 1 ATOM 48 C CB . PRO A 0 7 . 2.617 27.549 36.280 1.00 64.50 7 A 1 ATOM 49 O O . PRO A 0 7 . 3.864 27.952 33.557 1.00 64.50 7 A 1 ATOM 50 C CG . PRO A 0 7 . 2.668 28.689 37.293 1.00 64.50 7 A 1 ATOM 51 C CD . PRO A 0 7 . 3.857 29.524 36.835 1.00 64.50 7 A 1 ATOM 52 N N . VAL A 0 8 . 4.863 25.987 34.013 1.00 65.24 8 A 1 ATOM 53 C CA . VAL A 0 8 . 4.953 25.548 32.621 1.00 65.24 8 A 1 ATOM 54 C C . VAL A 0 8 . 3.528 25.290 32.113 1.00 65.24 8 A 1 ATOM 55 C CB . VAL A 0 8 . 5.892 24.331 32.489 1.00 65.24 8 A 1 ATOM 56 O O . VAL A 0 8 . 2.784 24.550 32.762 1.00 65.24 8 A 1 ATOM 57 C CG1 . VAL A 0 8 . 5.468 23.104 33.309 1.00 65.24 8 A 1 ATOM 58 C CG2 . VAL A 0 8 . 6.084 23.908 31.029 1.00 65.24 8 A 1 ATOM 59 N N . PRO A 0 9 . 3.090 25.914 31.005 1.00 64.03 9 A 1 ATOM 60 C CA . PRO A 0 9 . 1.787 25.608 30.438 1.00 64.03 9 A 1 ATOM 61 C C . PRO A 0 9 . 1.759 24.134 30.006 1.00 64.03 9 A 1 ATOM 62 C CB . PRO A 0 9 . 1.589 26.586 29.277 1.00 64.03 9 A 1 ATOM 63 O O . PRO A 0 9 . 2.774 23.628 29.514 1.00 64.03 9 A 1 ATOM 64 C CG . PRO A 0 9 . 3.016 26.956 28.874 1.00 64.03 9 A 1 ATOM 65 C CD . PRO A 0 9 . 3.797 26.881 30.185 1.00 64.03 9 A 1 ATOM 66 N N . PRO A 0 10 . 0.628 23.430 30.197 1.00 62.08 10 A 1 ATOM 67 C CA . PRO A 0 10 . 0.502 22.030 29.824 1.00 62.08 10 A 1 ATOM 68 C C . PRO A 0 10 . 0.790 21.902 28.332 1.00 62.08 10 A 1 ATOM 69 C CB . PRO A 0 10 . -0.924 21.615 30.204 1.00 62.08 10 A 1 ATOM 70 O O . PRO A 0 10 . 0.082 22.457 27.490 1.00 62.08 10 A 1 ATOM 71 C CG . PRO A 0 10 . -1.694 22.935 30.210 1.00 62.08 10 A 1 ATOM 72 C CD . PRO A 0 10 . -0.647 23.950 30.658 1.00 62.08 10 A 1 ATOM 73 N N . GLN A 0 11 . 1.885 21.217 28.017 1.00 60.15 11 A 1 ATOM 74 C CA . GLN A 0 11 . 2.287 20.995 26.641 1.00 60.15 11 A 1 ATOM 75 C C . GLN A 0 11 . 1.175 20.191 25.961 1.00 60.15 11 A 1 ATOM 76 C CB . GLN A 0 11 . 3.649 20.292 26.579 1.00 60.15 11 A 1 ATOM 77 O O . GLN A 0 11 . 0.698 19.221 26.558 1.00 60.15 11 A 1 ATOM 78 C CG . GLN A 0 11 . 4.694 21.059 27.416 1.00 60.15 11 A 1 ATOM 79 C CD . GLN A 0 11 . 6.120 20.963 26.890 1.00 60.15 11 A 1 ATOM 80 N NE2 . GLN A 0 11 . 7.095 21.381 27.666 1.00 60.15 11 A 1 ATOM 81 O OE1 . GLN A 0 11 . 6.392 20.557 25.776 1.00 60.15 11 A 1 ATOM 82 N N . PRO A 0 12 . 0.709 20.589 24.763 1.00 57.31 12 A 1 ATOM 83 C CA . PRO A 0 12 . -0.305 19.832 24.054 1.00 57.31 12 A 1 ATOM 84 C C . PRO A 0 12 . 0.254 18.432 23.826 1.00 57.31 12 A 1 ATOM 85 C CB . PRO A 0 12 . -0.593 20.610 22.765 1.00 57.31 12 A 1 ATOM 86 O O . PRO A 0 12 . 1.203 18.250 23.062 1.00 57.31 12 A 1 ATOM 87 C CG . PRO A 0 12 . 0.664 21.453 22.553 1.00 57.31 12 A 1 ATOM 88 C CD . PRO A 0 12 . 1.179 21.708 23.966 1.00 57.31 12 A 1 ATOM 89 N N . ALA A 0 13 . -0.302 17.464 24.557 1.00 56.95 13 A 1 ATOM 90 C CA . ALA A 0 13 . 0.079 16.069 24.457 1.00 56.95 13 A 1 ATOM 91 C C . ALA A 0 13 . 0.093 15.684 22.972 1.00 56.95 13 A 1 ATOM 92 C CB . ALA A 0 13 . -0.907 15.218 25.267 1.00 56.95 13 A 1 ATOM 93 O O . ALA A 0 13 . -0.829 16.087 22.247 1.00 56.95 13 A 1 ATOM 94 N N . PRO A 0 14 . 1.129 14.962 22.502 1.00 59.40 14 A 1 ATOM 95 C CA . PRO A 0 14 . 1.230 14.570 21.109 1.00 59.40 14 A 1 ATOM 96 C C . PRO A 0 14 . -0.082 13.895 20.762 1.00 59.40 14 A 1 ATOM 97 C CB . PRO A 0 14 . 2.441 13.638 21.001 1.00 59.40 14 A 1 ATOM 98 O O . PRO A 0 14 . -0.462 12.908 21.395 1.00 59.40 14 A 1 ATOM 99 C CG . PRO A 0 14 . 2.653 13.145 22.431 1.00 59.40 14 A 1 ATOM 100 C CD . PRO A 0 14 . 2.155 14.303 23.290 1.00 59.40 14 A 1 ATOM 101 N N . ARG A 0 15 . -0.816 14.525 19.841 1.00 52.73 15 A 1 ATOM 102 C CA . ARG A 0 15 . -2.119 14.080 19.372 1.00 52.73 15 A 1 ATOM 103 C C . ARG A 0 15 . -1.930 12.646 18.897 1.00 52.73 15 A 1 ATOM 104 C CB . ARG A 0 15 . -2.606 15.006 18.240 1.00 52.73 15 A 1 ATOM 105 O O . ARG A 0 15 . -1.497 12.426 17.770 1.00 52.73 15 A 1 ATOM 106 C CG . ARG A 0 15 . -2.962 16.425 18.716 1.00 52.73 15 A 1 ATOM 107 C CD . ARG A 0 15 . -3.371 17.293 17.517 1.00 52.73 15 A 1 ATOM 108 N NE . ARG A 0 15 . -3.911 18.602 17.937 1.00 52.73 15 A 1 ATOM 109 N NH1 . ARG A 0 15 . -3.983 19.583 15.857 1.00 52.73 15 A 1 ATOM 110 N NH2 . ARG A 0 15 . -4.739 20.705 17.629 1.00 52.73 15 A 1 ATOM 111 C CZ . ARG A 0 15 . -4.206 19.619 17.142 1.00 52.73 15 A 1 ATOM 112 N N . ARG A 0 16 . -2.194 11.674 19.775 1.00 50.44 16 A 1 ATOM 113 C CA . ARG A 0 16 . -2.362 10.276 19.398 1.00 50.44 16 A 1 ATOM 114 C C . ARG A 0 16 . -3.580 10.294 18.497 1.00 50.44 16 A 1 ATOM 115 C CB . ARG A 0 16 . -2.541 9.353 20.618 1.00 50.44 16 A 1 ATOM 116 O O . ARG A 0 16 . -4.710 10.389 18.971 1.00 50.44 16 A 1 ATOM 117 C CG . ARG A 0 16 . -1.245 8.613 20.984 1.00 50.44 16 A 1 ATOM 118 C CD . ARG A 0 16 . -1.536 7.537 22.040 1.00 50.44 16 A 1 ATOM 119 N NE . ARG A 0 16 . -0.351 6.703 22.327 1.00 50.44 16 A 1 ATOM 120 N NH1 . ARG A 0 16 . -1.430 5.043 23.498 1.00 50.44 16 A 1 ATOM 121 N NH2 . ARG A 0 16 . 0.770 4.903 23.167 1.00 50.44 16 A 1 ATOM 122 C CZ . ARG A 0 16 . -0.343 5.560 22.993 1.00 50.44 16 A 1 ATOM 123 N N . LEU A 0 17 . -3.306 10.356 17.199 1.00 51.85 17 A 1 ATOM 124 C CA . LEU A 0 17 . -4.312 10.269 16.162 1.00 51.85 17 A 1 ATOM 125 C C . LEU A 0 17 . -5.147 9.013 16.432 1.00 51.85 17 A 1 ATOM 126 C CB . LEU A 0 17 . -3.632 10.278 14.786 1.00 51.85 17 A 1 ATOM 127 O O . LEU A 0 17 . -4.604 7.993 16.869 1.00 51.85 17 A 1 ATOM 128 C CG . LEU A 0 17 . -3.240 11.703 14.351 1.00 51.85 17 A 1 ATOM 129 C CD1 . LEU A 0 17 . -2.129 11.658 13.307 1.00 51.85 17 A 1 ATOM 130 C CD2 . LEU A 0 17 . -4.440 12.445 13.753 1.00 51.85 17 A 1 ATOM 131 N N . PRO A 0 18 . -6.471 9.147 16.308 1.00 50.56 18 A 1 ATOM 132 C CA . PRO A 0 18 . -7.419 8.308 17.003 1.00 50.56 18 A 1 ATOM 133 C C . PRO A 0 18 . -7.282 6.862 16.556 1.00 50.56 18 A 1 ATOM 134 C CB . PRO A 0 18 . -8.802 8.898 16.713 1.00 50.56 18 A 1 ATOM 135 O O . PRO A 0 18 . -7.192 6.554 15.368 1.00 50.56 18 A 1 ATOM 136 C CG . PRO A 0 18 . -8.595 9.652 15.401 1.00 50.56 18 A 1 ATOM 137 C CD . PRO A 0 18 . -7.156 10.138 15.503 1.00 50.56 18 A 1 ATOM 138 N N . THR A 0 19 . -7.303 6.003 17.567 1.00 48.25 19 A 1 ATOM 139 C CA . THR A 0 19 . -7.517 4.562 17.564 1.00 48.25 19 A 1 ATOM 140 C C . THR A 0 19 . -8.654 4.203 16.603 1.00 48.25 19 A 1 ATOM 141 C CB . THR A 0 19 . -7.864 4.145 19.014 1.00 48.25 19 A 1 ATOM 142 O O . THR A 0 19 . -9.814 4.096 16.992 1.00 48.25 19 A 1 ATOM 143 C CG2 . THR A 0 19 . -7.431 2.718 19.326 1.00 48.25 19 A 1 ATOM 144 O OG1 . THR A 0 19 . -7.222 4.976 19.967 1.00 48.25 19 A 1 ATOM 145 N N . THR A 0 20 . -8.341 4.089 15.314 1.00 50.20 20 A 1 ATOM 146 C CA . THR A 0 20 . -9.326 3.749 14.291 1.00 50.20 20 A 1 ATOM 147 C C . THR A 0 20 . -9.363 2.229 14.235 1.00 50.20 20 A 1 ATOM 148 C CB . THR A 0 20 . -9.034 4.401 12.930 1.00 50.20 20 A 1 ATOM 149 O O . THR A 0 20 . -8.329 1.594 14.057 1.00 50.20 20 A 1 ATOM 150 C CG2 . THR A 0 20 . -10.322 4.534 12.114 1.00 50.20 20 A 1 ATOM 151 O OG1 . THR A 0 20 . -8.563 5.723 13.071 1.00 50.20 20 A 1 ATOM 152 N N . ALA A 0 21 . -10.545 1.691 14.523 1.00 47.26 21 A 1 ATOM 153 C CA . ALA A 0 21 . -10.939 0.292 14.665 1.00 47.26 21 A 1 ATOM 154 C C . ALA A 0 21 . -9.987 -0.791 14.091 1.00 47.26 21 A 1 ATOM 155 C CB . ALA A 0 21 . -12.317 0.185 14.003 1.00 47.26 21 A 1 ATOM 156 O O . ALA A 0 21 . -9.511 -0.661 12.962 1.00 47.26 21 A 1 ATOM 157 N N . PRO A 0 22 . -9.809 -1.930 14.797 1.00 56.64 22 A 1 ATOM 158 C CA . PRO A 0 22 . -8.841 -2.981 14.454 1.00 56.64 22 A 1 ATOM 159 C C . PRO A 0 22 . -9.012 -3.609 13.061 1.00 56.64 22 A 1 ATOM 160 C CB . PRO A 0 22 . -8.954 -4.030 15.571 1.00 56.64 22 A 1 ATOM 161 O O . PRO A 0 22 . -8.073 -4.212 12.567 1.00 56.64 22 A 1 ATOM 162 C CG . PRO A 0 22 . -10.332 -3.789 16.181 1.00 56.64 22 A 1 ATOM 163 C CD . PRO A 0 22 . -10.515 -2.287 16.018 1.00 56.64 22 A 1 ATOM 164 N N . LEU A 0 23 . -10.151 -3.425 12.386 1.00 53.39 23 A 1 ATOM 165 C CA . LEU A 0 23 . -10.339 -3.885 11.003 1.00 53.39 23 A 1 ATOM 166 C C . LEU A 0 23 . -9.612 -3.015 9.961 1.00 53.39 23 A 1 ATOM 167 C CB . LEU A 0 23 . -11.849 -3.947 10.710 1.00 53.39 23 A 1 ATOM 168 O O . LEU A 0 23 . -9.331 -3.478 8.861 1.00 53.39 23 A 1 ATOM 169 C CG . LEU A 0 23 . -12.587 -5.063 11.473 1.00 53.39 23 A 1 ATOM 170 C CD1 . LEU A 0 23 . -14.097 -4.867 11.338 1.00 53.39 23 A 1 ATOM 171 C CD2 . LEU A 0 23 . -12.234 -6.451 10.937 1.00 53.39 23 A 1 ATOM 172 N N . GLY A 0 24 . -9.315 -1.752 10.283 1.00 56.90 24 A 1 ATOM 173 C CA . GLY A 0 24 . -8.619 -0.835 9.377 1.00 56.90 24 A 1 ATOM 174 C C . GLY A 0 24 . -7.096 -0.954 9.426 1.00 56.90 24 A 1 ATOM 175 O O . GLY A 0 24 . -6.427 -0.458 8.519 1.00 56.90 24 A 1 ATOM 176 N N . HIS A 0 25 . -6.547 -1.603 10.460 1.00 69.38 25 A 1 ATOM 177 C CA . HIS A 0 25 . -5.105 -1.651 10.695 1.00 69.38 25 A 1 ATOM 178 C C . HIS A 0 25 . -4.376 -2.372 9.560 1.00 69.38 25 A 1 ATOM 179 C CB . HIS A 0 25 . -4.815 -2.289 12.058 1.00 69.38 25 A 1 ATOM 180 O O . HIS A 0 25 . -3.431 -1.815 9.017 1.00 69.38 25 A 1 ATOM 181 C CG . HIS A 0 25 . -3.400 -2.048 12.520 1.00 69.38 25 A 1 ATOM 182 C CD2 . HIS A 0 25 . -2.296 -2.814 12.244 1.00 69.38 25 A 1 ATOM 183 N ND1 . HIS A 0 25 . -2.976 -0.989 13.291 1.00 69.38 25 A 1 ATOM 184 C CE1 . HIS A 0 25 . -1.652 -1.116 13.481 1.00 69.38 25 A 1 ATOM 185 N NE2 . HIS A 0 25 . -1.200 -2.220 12.879 1.00 69.38 25 A 1 ATOM 186 N N . ASP A 0 26 . -4.874 -3.532 9.122 1.00 72.61 26 A 1 ATOM 187 C CA . ASP A 0 26 . -4.238 -4.308 8.050 1.00 72.61 26 A 1 ATOM 188 C C . ASP A 0 26 . -4.223 -3.546 6.721 1.00 72.61 26 A 1 ATOM 189 C CB . ASP A 0 26 . -4.984 -5.634 7.861 1.00 72.61 26 A 1 ATOM 190 O O . ASP A 0 26 . -3.217 -3.508 6.020 1.00 72.61 26 A 1 ATOM 191 C CG . ASP A 0 26 . -5.009 -6.461 9.142 1.00 72.61 26 A 1 ATOM 192 O OD1 . ASP A 0 26 . -3.937 -6.969 9.528 1.00 72.61 26 A 1 ATOM 193 O OD2 . ASP A 0 26 . -6.108 -6.546 9.733 1.00 72.61 26 A 1 ATOM 194 N N . THR A 0 27 . -5.332 -2.882 6.377 1.00 75.42 27 A 1 ATOM 195 C CA . THR A 0 27 . -5.406 -2.118 5.121 1.00 75.42 27 A 1 ATOM 196 C C . THR A 0 27 . -4.520 -0.876 5.185 1.00 75.42 27 A 1 ATOM 197 C CB . THR A 0 27 . -6.845 -1.716 4.774 1.00 75.42 27 A 1 ATOM 198 O O . THR A 0 27 . -3.822 -0.573 4.220 1.00 75.42 27 A 1 ATOM 199 C CG2 . THR A 0 27 . -6.949 -1.117 3.370 1.00 75.42 27 A 1 ATOM 200 O OG1 . THR A 0 27 . -7.692 -2.840 4.780 1.00 75.42 27 A 1 ATOM 201 N N . SER A 0 28 . -4.522 -0.163 6.316 1.00 79.17 28 A 1 ATOM 202 C CA . SER A 0 28 . -3.678 1.016 6.518 1.00 79.17 28 A 1 ATOM 203 C C . SER A 0 28 . -2.193 0.662 6.504 1.00 79.17 28 A 1 ATOM 204 C CB . SER A 0 28 . -4.023 1.690 7.847 1.00 79.17 28 A 1 ATOM 205 O O . SER A 0 28 . -1.414 1.376 5.879 1.00 79.17 28 A 1 ATOM 206 O OG . SER A 0 28 . -3.288 2.891 7.991 1.00 79.17 28 A 1 ATOM 207 N N . ASP A 0 29 . -1.800 -0.425 7.168 1.00 81.14 29 A 1 ATOM 208 C CA . ASP A 0 29 . -0.418 -0.905 7.200 1.00 81.14 29 A 1 ATOM 209 C C . ASP A 0 29 . 0.052 -1.293 5.795 1.00 81.14 29 A 1 ATOM 210 C CB . ASP A 0 29 . -0.319 -2.093 8.164 1.00 81.14 29 A 1 ATOM 211 O O . ASP A 0 29 . 1.112 -0.868 5.342 1.00 81.14 29 A 1 ATOM 212 C CG . ASP A 0 29 . 1.133 -2.550 8.287 1.00 81.14 29 A 1 ATOM 213 O OD1 . ASP A 0 29 . 1.894 -1.874 9.009 1.00 81.14 29 A 1 ATOM 214 O OD2 . ASP A 0 29 . 1.499 -3.526 7.595 1.00 81.14 29 A 1 ATOM 215 N N . VAL A 0 30 . -0.796 -1.990 5.040 1.00 78.30 30 A 1 ATOM 216 C CA . VAL A 0 30 . -0.530 -2.341 3.645 1.00 78.30 30 A 1 ATOM 217 C C . VAL A 0 30 . -0.362 -1.104 2.755 1.00 78.30 30 A 1 ATOM 218 C CB . VAL A 0 30 . -1.649 -3.270 3.152 1.00 78.30 30 A 1 ATOM 219 O O . VAL A 0 30 . 0.566 -1.053 1.946 1.00 78.30 30 A 1 ATOM 220 C CG1 . VAL A 0 30 . -1.702 -3.350 1.635 1.00 78.30 30 A 1 ATOM 221 C CG2 . VAL A 0 30 . -1.437 -4.691 3.685 1.00 78.30 30 A 1 ATOM 222 N N . LEU A 0 31 . -1.221 -0.091 2.897 1.00 78.04 31 A 1 ATOM 223 C CA . LEU A 0 31 . -1.085 1.170 2.159 1.00 78.04 31 A 1 ATOM 224 C C . LEU A 0 31 . 0.209 1.900 2.529 1.00 78.04 31 A 1 ATOM 225 C CB . LEU A 0 31 . -2.300 2.070 2.435 1.00 78.04 31 A 1 ATOM 226 O O . LEU A 0 31 . 0.911 2.397 1.649 1.00 78.04 31 A 1 ATOM 227 C CG . LEU A 0 31 . -3.601 1.609 1.757 1.00 78.04 31 A 1 ATOM 228 C CD1 . LEU A 0 31 . -4.761 2.471 2.260 1.00 78.04 31 A 1 ATOM 229 C CD2 . LEU A 0 31 . -3.536 1.736 0.234 1.00 78.04 31 A 1 ATOM 230 N N . GLN A 0 32 . 0.552 1.916 3.814 1.00 80.31 32 A 1 ATOM 231 C CA . GLN A 0 32 . 1.781 2.526 4.304 1.00 80.31 32 A 1 ATOM 232 C C . GLN A 0 32 . 3.021 1.785 3.785 1.00 80.31 32 A 1 ATOM 233 C CB . GLN A 0 32 . 1.701 2.588 5.833 1.00 80.31 32 A 1 ATOM 234 O O . GLN A 0 32 . 3.975 2.429 3.356 1.00 80.31 32 A 1 ATOM 235 C CG . GLN A 0 32 . 2.759 3.512 6.445 1.00 80.31 32 A 1 ATOM 236 C CD . GLN A 0 32 . 2.298 4.034 7.801 1.00 80.31 32 A 1 ATOM 237 N NE2 . GLN A 0 32 . 1.445 5.036 7.833 1.00 80.31 32 A 1 ATOM 238 O OE1 . GLN A 0 32 . 2.671 3.559 8.856 1.00 80.31 32 A 1 ATOM 239 N N . GLN A 0 33 . 2.976 0.452 3.710 1.00 80.30 33 A 1 ATOM 240 C CA . GLN A 0 33 . 4.010 -0.352 3.062 1.00 80.30 33 A 1 ATOM 241 C C . GLN A 0 33 . 4.138 -0.021 1.570 1.00 80.30 33 A 1 ATOM 242 C CB . GLN A 0 33 . 3.734 -1.853 3.243 1.00 80.30 33 A 1 ATOM 243 O O . GLN A 0 33 . 5.255 0.143 1.095 1.00 80.30 33 A 1 ATOM 244 C CG . GLN A 0 33 . 4.068 -2.367 4.650 1.00 80.30 33 A 1 ATOM 245 C CD . GLN A 0 33 . 3.915 -3.882 4.727 1.00 80.30 33 A 1 ATOM 246 N NE2 . GLN A 0 33 . 3.045 -4.416 5.544 1.00 80.30 33 A 1 ATOM 247 O OE1 . GLN A 0 33 . 4.633 -4.631 4.072 1.00 80.30 33 A 1 ATOM 248 N N . ILE A 0 34 . 3.032 0.121 0.828 1.00 77.60 34 A 1 ATOM 249 C CA . ILE A 0 34 . 3.067 0.499 -0.599 1.00 77.60 34 A 1 ATOM 250 C C . ILE A 0 34 . 3.722 1.870 -0.793 1.00 77.60 34 A 1 ATOM 251 C CB . ILE A 0 34 . 1.649 0.477 -1.216 1.00 77.60 34 A 1 ATOM 252 O O . ILE A 0 34 . 4.535 2.035 -1.698 1.00 77.60 34 A 1 ATOM 253 C CG1 . ILE A 0 34 . 1.128 -0.968 -1.325 1.00 77.60 34 A 1 ATOM 254 C CG2 . ILE A 0 34 . 1.632 1.111 -2.622 1.00 77.60 34 A 1 ATOM 255 C CD1 . ILE A 0 34 . -0.397 -1.085 -1.438 1.00 77.60 34 A 1 ATOM 256 N N . MET A 0 35 . 3.387 2.845 0.051 1.00 80.40 35 A 1 ATOM 257 C CA . MET A 0 35 . 3.999 4.175 0.001 1.00 80.40 35 A 1 ATOM 258 C C . MET A 0 35 . 5.489 4.135 0.359 1.00 80.40 35 A 1 ATOM 259 C CB . MET A 0 35 . 3.258 5.119 0.952 1.00 80.40 35 A 1 ATOM 260 O O . MET A 0 35 . 6.278 4.862 -0.232 1.00 80.40 35 A 1 ATOM 261 C CG . MET A 0 35 . 1.845 5.451 0.458 1.00 80.40 35 A 1 ATOM 262 S SD . MET A 0 35 . 0.861 6.442 1.619 1.00 80.40 35 A 1 ATOM 263 C CE . MET A 0 35 . 1.822 7.981 1.633 1.00 80.40 35 A 1 ATOM 264 N N . ALA A 0 36 . 5.892 3.266 1.288 1.00 80.67 36 A 1 ATOM 265 C CA . ALA A 0 36 . 7.299 3.086 1.629 1.00 80.67 36 A 1 ATOM 266 C C . ALA A 0 36 . 8.101 2.427 0.491 1.00 80.67 36 A 1 ATOM 267 C CB . ALA A 0 36 . 7.389 2.290 2.935 1.00 80.67 36 A 1 ATOM 268 O O . ALA A 0 36 . 9.266 2.763 0.309 1.00 80.67 36 A 1 ATOM 269 N N . ILE A 0 37 . 7.488 1.558 -0.329 1.00 78.15 37 A 1 ATOM 270 C CA . ILE A 0 37 . 8.167 0.906 -1.469 1.00 78.15 37 A 1 ATOM 271 C C . ILE A 0 37 . 8.793 1.927 -2.426 1.00 78.15 37 A 1 ATOM 272 C CB . ILE A 0 37 . 7.197 -0.027 -2.240 1.00 78.15 37 A 1 ATOM 273 O O . ILE A 0 37 . 9.846 1.648 -2.991 1.00 78.15 37 A 1 ATOM 274 C CG1 . ILE A 0 37 . 6.911 -1.298 -1.423 1.00 78.15 37 A 1 ATOM 275 C CG2 . ILE A 0 37 . 7.734 -0.451 -3.621 1.00 78.15 37 A 1 ATOM 276 C CD1 . ILE A 0 37 . 5.769 -2.154 -1.990 1.00 78.15 37 A 1 ATOM 277 N N . THR A 0 38 . 8.170 3.092 -2.624 1.00 75.08 38 A 1 ATOM 278 C CA . THR A 0 38 . 8.711 4.119 -3.530 1.00 75.08 38 A 1 ATOM 279 C C . THR A 0 38 . 9.936 4.850 -2.977 1.00 75.08 38 A 1 ATOM 280 C CB . THR A 0 38 . 7.641 5.140 -3.947 1.00 75.08 38 A 1 ATOM 281 O O . THR A 0 38 . 10.640 5.483 -3.755 1.00 75.08 38 A 1 ATOM 282 C CG2 . THR A 0 38 . 6.541 4.487 -4.786 1.00 75.08 38 A 1 ATOM 283 O OG1 . THR A 0 38 . 6.978 5.718 -2.851 1.00 75.08 38 A 1 ATOM 284 N N . ASP A 0 39 . 10.188 4.768 -1.668 1.00 78.12 39 A 1 ATOM 285 C CA . ASP A 0 39 . 11.334 5.394 -0.988 1.00 78.12 39 A 1 ATOM 286 C C . ASP A 0 39 . 12.477 4.391 -0.720 1.00 78.12 39 A 1 ATOM 287 C CB . ASP A 0 39 . 10.810 6.019 0.315 1.00 78.12 39 A 1 ATOM 288 O O . ASP A 0 39 . 13.625 4.768 -0.497 1.00 78.12 39 A 1 ATOM 289 C CG . ASP A 0 39 . 11.788 7.021 0.933 1.00 78.12 39 A 1 ATOM 290 O OD1 . ASP A 0 39 . 12.337 6.710 2.013 1.00 78.12 39 A 1 ATOM 291 O OD2 . ASP A 0 39 . 11.899 8.131 0.363 1.00 78.12 39 A 1 ATOM 292 N N . GLN A 0 40 . 12.174 3.091 -0.769 1.00 77.44 40 A 1 ATOM 293 C CA . GLN A 0 40 . 13.107 2.019 -0.430 1.00 77.44 40 A 1 ATOM 294 C C . GLN A 0 40 . 13.964 1.544 -1.614 1.00 77.44 40 A 1 ATOM 295 C CB . GLN A 0 40 . 12.333 0.858 0.215 1.00 77.44 40 A 1 ATOM 296 O O . GLN A 0 40 . 13.609 1.673 -2.787 1.00 77.44 40 A 1 ATOM 297 C CG . GLN A 0 40 . 11.887 1.205 1.642 1.00 77.44 40 A 1 ATOM 298 C CD . GLN A 0 40 . 11.182 0.049 2.344 1.00 77.44 40 A 1 ATOM 299 N NE2 . GLN A 0 40 . 11.607 -0.300 3.534 1.00 77.44 40 A 1 ATOM 300 O OE1 . GLN A 0 40 . 10.265 -0.601 1.856 1.00 77.44 40 A 1 ATOM 301 N N . SER A 0 41 . 15.102 0.918 -1.289 1.00 75.00 41 A 1 ATOM 302 C CA . SER A 0 41 . 15.962 0.249 -2.273 1.00 75.00 41 A 1 ATOM 303 C C . SER A 0 41 . 15.224 -0.895 -2.983 1.00 75.00 41 A 1 ATOM 304 C CB . SER A 0 41 . 17.235 -0.279 -1.601 1.00 75.00 41 A 1 ATOM 305 O O . SER A 0 41 . 14.327 -1.519 -2.416 1.00 75.00 41 A 1 ATOM 306 O OG . SER A 0 41 . 18.071 0.799 -1.233 1.00 75.00 41 A 1 ATOM 307 N N . LEU A 0 42 . 15.632 -1.211 -4.220 1.00 76.45 42 A 1 ATOM 308 C CA . LEU A 0 42 . 14.985 -2.223 -5.074 1.00 76.45 42 A 1 ATOM 309 C C . LEU A 0 42 . 14.797 -3.588 -4.378 1.00 76.45 42 A 1 ATOM 310 C CB . LEU A 0 42 . 15.827 -2.372 -6.359 1.00 76.45 42 A 1 ATOM 311 O O . LEU A 0 42 . 13.788 -4.261 -4.599 1.00 76.45 42 A 1 ATOM 312 C CG . LEU A 0 42 . 15.246 -3.342 -7.409 1.00 76.45 42 A 1 ATOM 313 C CD1 . LEU A 0 42 . 13.894 -2.866 -7.949 1.00 76.45 42 A 1 ATOM 314 C CD2 . LEU A 0 42 . 16.211 -3.465 -8.588 1.00 76.45 42 A 1 ATOM 315 N N . ASP A 0 43 . 15.749 -3.975 -3.529 1.00 79.13 43 A 1 ATOM 316 C CA . ASP A 0 43 . 15.708 -5.216 -2.748 1.00 79.13 43 A 1 ATOM 317 C C . ASP A 0 43 . 14.566 -5.216 -1.708 1.00 79.13 43 A 1 ATOM 318 C CB . ASP A 0 43 . 17.081 -5.405 -2.093 1.00 79.13 43 A 1 ATOM 319 O O . ASP A 0 43 . 13.705 -6.102 -1.707 1.00 79.13 43 A 1 ATOM 320 C CG . ASP A 0 43 . 17.202 -6.806 -1.500 1.00 79.13 43 A 1 ATOM 321 O OD1 . ASP A 0 43 . 16.944 -6.945 -0.286 1.00 79.13 43 A 1 ATOM 322 O OD2 . ASP A 0 43 . 17.522 -7.724 -2.287 1.00 79.13 43 A 1 ATOM 323 N N . GLU A 0 44 . 14.461 -4.151 -0.909 1.00 78.93 44 A 1 ATOM 324 C CA . GLU A 0 44 . 13.370 -3.957 0.057 1.00 78.93 44 A 1 ATOM 325 C C . GLU A 0 44 . 12.006 -3.861 -0.639 1.00 78.93 44 A 1 ATOM 326 C CB . GLU A 0 44 . 13.632 -2.688 0.884 1.00 78.93 44 A 1 ATOM 327 O O . GLU A 0 44 . 11.029 -4.487 -0.208 1.00 78.93 44 A 1 ATOM 328 C CG . GLU A 0 44 . 14.425 -2.990 2.157 1.00 78.93 44 A 1 ATOM 329 C CD . GLU A 0 44 . 14.996 -1.702 2.759 1.00 78.93 44 A 1 ATOM 330 O OE1 . GLU A 0 44 . 14.229 -0.983 3.444 1.00 78.93 44 A 1 ATOM 331 O OE2 . GLU A 0 44 . 16.184 -1.426 2.496 1.00 78.93 44 A 1 ATOM 332 N N . ALA A 0 45 . 11.949 -3.153 -1.769 1.00 77.98 45 A 1 ATOM 333 C CA . ALA A 0 45 . 10.758 -3.066 -2.604 1.00 77.98 45 A 1 ATOM 334 C C . ALA A 0 45 . 10.289 -4.453 -3.082 1.00 77.98 45 A 1 ATOM 335 C CB . ALA A 0 45 . 11.074 -2.139 -3.783 1.00 77.98 45 A 1 ATOM 336 O O . ALA A 0 45 . 9.084 -4.730 -3.106 1.00 77.98 45 A 1 ATOM 337 N N . GLN A 0 46 . 11.211 -5.362 -3.423 1.00 77.16 46 A 1 ATOM 338 C CA . GLN A 0 46 . 10.863 -6.732 -3.806 1.00 77.16 46 A 1 ATOM 339 C C . GLN A 0 46 . 10.258 -7.540 -2.657 1.00 77.16 46 A 1 ATOM 340 C CB . GLN A 0 46 . 12.075 -7.487 -4.371 1.00 77.16 46 A 1 ATOM 341 O O . GLN A 0 46 . 9.267 -8.245 -2.884 1.00 77.16 46 A 1 ATOM 342 C CG . GLN A 0 46 . 12.205 -7.320 -5.887 1.00 77.16 46 A 1 ATOM 343 C CD . GLN A 0 46 . 13.038 -8.435 -6.505 1.00 77.16 46 A 1 ATOM 344 N NE2 . GLN A 0 46 . 12.541 -9.653 -6.563 1.00 77.16 46 A 1 ATOM 345 O OE1 . GLN A 0 46 . 14.125 -8.247 -7.001 1.00 77.16 46 A 1 ATOM 346 N N . ALA A 0 47 . 10.814 -7.440 -1.448 1.00 77.67 47 A 1 ATOM 347 C CA . ALA A 0 47 . 10.286 -8.138 -0.277 1.00 77.67 47 A 1 ATOM 348 C C . ALA A 0 47 . 8.853 -7.678 0.043 1.00 77.67 47 A 1 ATOM 349 C CB . ALA A 0 47 . 11.241 -7.903 0.898 1.00 77.67 47 A 1 ATOM 350 O O . ALA A 0 47 . 7.941 -8.494 0.214 1.00 77.67 47 A 1 ATOM 351 N N . ARG A 0 48 . 8.618 -6.362 0.015 1.00 74.52 48 A 1 ATOM 352 C CA . ARG A 0 48 . 7.289 -5.772 0.226 1.00 74.52 48 A 1 ATOM 353 C C . ARG A 0 48 . 6.314 -6.127 -0.895 1.00 74.52 48 A 1 ATOM 354 C CB . ARG A 0 48 . 7.439 -4.254 0.362 1.00 74.52 48 A 1 ATOM 355 O O . ARG A 0 48 . 5.176 -6.499 -0.619 1.00 74.52 48 A 1 ATOM 356 C CG . ARG A 0 48 . 8.248 -3.792 1.581 1.00 74.52 48 A 1 ATOM 357 C CD . ARG A 0 48 . 7.503 -4.069 2.887 1.00 74.52 48 A 1 ATOM 358 N NE . ARG A 0 48 . 8.281 -3.602 4.043 1.00 74.52 48 A 1 ATOM 359 N NH1 . ARG A 0 48 . 6.914 -4.452 5.683 1.00 74.52 48 A 1 ATOM 360 N NH2 . ARG A 0 48 . 8.760 -3.343 6.251 1.00 74.52 48 A 1 ATOM 361 C CZ . ARG A 0 48 . 7.983 -3.804 5.313 1.00 74.52 48 A 1 ATOM 362 N N . LYS A 0 49 . 6.761 -6.128 -2.157 1.00 77.74 49 A 1 ATOM 363 C CA . LYS A 0 49 . 5.966 -6.620 -3.297 1.00 77.74 49 A 1 ATOM 364 C C . LYS A 0 49 . 5.494 -8.056 -3.069 1.00 77.74 49 A 1 ATOM 365 C CB . LYS A 0 49 . 6.790 -6.516 -4.591 1.00 77.74 49 A 1 ATOM 366 O O . LYS A 0 49 . 4.361 -8.373 -3.424 1.00 77.74 49 A 1 ATOM 367 C CG . LYS A 0 49 . 6.005 -6.933 -5.851 1.00 77.74 49 A 1 ATOM 368 C CD . LYS A 0 49 . 6.915 -7.117 -7.074 1.00 77.74 49 A 1 ATOM 369 C CE . LYS A 0 49 . 7.766 -8.392 -6.952 1.00 77.74 49 A 1 ATOM 370 N NZ . LYS A 0 49 . 8.642 -8.587 -8.136 1.00 77.74 49 A 1 ATOM 371 N N . HIS A 0 50 . 6.335 -8.926 -2.507 1.00 79.25 50 A 1 ATOM 372 C CA . HIS A 0 50 . 5.949 -10.305 -2.209 1.00 79.25 50 A 1 ATOM 373 C C . HIS A 0 50 . 4.879 -10.369 -1.112 1.00 79.25 50 A 1 ATOM 374 C CB . HIS A 0 50 . 7.182 -11.140 -1.850 1.00 79.25 50 A 1 ATOM 375 O O . HIS A 0 50 . 3.855 -11.020 -1.312 1.00 79.25 50 A 1 ATOM 376 C CG . HIS A 0 50 . 6.846 -12.603 -1.725 1.00 79.25 50 A 1 ATOM 377 C CD2 . HIS A 0 50 . 6.639 -13.299 -0.564 1.00 79.25 50 A 1 ATOM 378 N ND1 . HIS A 0 50 . 6.636 -13.479 -2.766 1.00 79.25 50 A 1 ATOM 379 C CE1 . HIS A 0 50 . 6.312 -14.674 -2.244 1.00 79.25 50 A 1 ATOM 380 N NE2 . HIS A 0 50 . 6.301 -14.611 -0.907 1.00 79.25 50 A 1 ATOM 381 N N . ALA A 0 51 . 5.058 -9.622 -0.017 1.00 76.75 51 A 1 ATOM 382 C CA . ALA A 0 51 . 4.053 -9.513 1.042 1.00 76.75 51 A 1 ATOM 383 C C . ALA A 0 51 . 2.692 -9.043 0.495 1.00 76.75 51 A 1 ATOM 384 C CB . ALA A 0 51 . 4.589 -8.571 2.128 1.00 76.75 51 A 1 ATOM 385 O O . ALA A 0 51 . 1.659 -9.648 0.782 1.00 76.75 51 A 1 ATOM 386 N N . LEU A 0 52 . 2.695 -8.037 -0.385 1.00 77.20 52 A 1 ATOM 387 C CA . LEU A 0 52 . 1.495 -7.561 -1.077 1.00 77.20 52 A 1 ATOM 388 C C . LEU A 0 52 . 0.904 -8.602 -2.028 1.00 77.20 52 A 1 ATOM 389 C CB . LEU A 0 52 . 1.836 -6.293 -1.872 1.00 77.20 52 A 1 ATOM 390 O O . LEU A 0 52 . -0.317 -8.702 -2.138 1.00 77.20 52 A 1 ATOM 391 C CG . LEU A 0 52 . 2.192 -5.084 -1.001 1.00 77.20 52 A 1 ATOM 392 C CD1 . LEU A 0 52 . 2.699 -3.968 -1.906 1.00 77.20 52 A 1 ATOM 393 C CD2 . LEU A 0 52 . 0.988 -4.582 -0.223 1.00 77.20 52 A 1 ATOM 394 N N . ASN A 0 53 . 1.742 -9.388 -2.714 1.00 77.33 53 A 1 ATOM 395 C CA . ASN A 0 53 . 1.262 -10.434 -3.616 1.00 77.33 53 A 1 ATOM 396 C C . ASN A 0 53 . 0.546 -11.565 -2.871 1.00 77.33 53 A 1 ATOM 397 C CB . ASN A 0 53 . 2.389 -10.987 -4.508 1.00 77.33 53 A 1 ATOM 398 O O . ASN A 0 53 . -0.390 -12.149 -3.416 1.00 77.33 53 A 1 ATOM 399 C CG . ASN A 0 53 . 1.977 -10.990 -5.969 1.00 77.33 53 A 1 ATOM 400 N ND2 . ASN A 0 53 . 2.427 -10.011 -6.718 1.00 77.33 53 A 1 ATOM 401 O OD1 . ASN A 0 53 . 1.191 -11.791 -6.456 1.00 77.33 53 A 1 ATOM 402 N N . CYS A 0 54 . 0.968 -11.833 -1.636 1.00 79.65 54 A 1 ATOM 403 C CA . CYS A 0 54 . 0.362 -12.819 -0.749 1.00 79.65 54 A 1 ATOM 404 C C . CYS A 0 54 . -0.857 -12.275 0.021 1.00 79.65 54 A 1 ATOM 405 C CB . CYS A 0 54 . 1.461 -13.343 0.187 1.00 79.65 54 A 1 ATOM 406 O O . CYS A 0 54 . -1.613 -13.059 0.594 1.00 79.65 54 A 1 ATOM 407 S SG . CYS A 0 54 . 2.676 -14.277 -0.794 1.00 79.65 54 A 1 ATOM 408 N N . HIS A 0 55 . -1.088 -10.957 0.034 1.00 77.00 55 A 1 ATOM 409 C CA . HIS A 0 55 . -2.194 -10.355 0.776 1.00 77.00 55 A 1 ATOM 410 C C . HIS A 0 55 . -3.538 -10.545 0.054 1.00 77.00 55 A 1 ATOM 411 C CB . HIS A 0 55 . -1.902 -8.875 1.069 1.00 77.00 55 A 1 ATOM 412 O O . HIS A 0 55 . -3.665 -10.304 -1.149 1.00 77.00 55 A 1 ATOM 413 C CG . HIS A 0 55 . -2.683 -8.372 2.258 1.00 77.00 55 A 1 ATOM 414 C CD2 . HIS A 0 55 . -2.265 -8.411 3.561 1.00 77.00 55 A 1 ATOM 415 N ND1 . HIS A 0 55 . -3.953 -7.831 2.255 1.00 77.00 55 A 1 ATOM 416 C CE1 . HIS A 0 55 . -4.296 -7.573 3.531 1.00 77.00 55 A 1 ATOM 417 N NE2 . HIS A 0 55 . -3.304 -7.925 4.351 1.00 77.00 55 A 1 ATOM 418 N N . ARG A 0 56 . -4.597 -10.896 0.797 1.00 76.55 56 A 1 ATOM 419 C CA . ARG A 0 56 . -5.942 -11.156 0.237 1.00 76.55 56 A 1 ATOM 420 C C . ARG A 0 56 . -6.537 -9.975 -0.541 1.00 76.55 56 A 1 ATOM 421 C CB . ARG A 0 56 . -6.900 -11.596 1.363 1.00 76.55 56 A 1 ATOM 422 O O . ARG A 0 56 . -7.369 -10.172 -1.419 1.00 76.55 56 A 1 ATOM 423 C CG . ARG A 0 56 . -7.336 -13.056 1.187 1.00 76.55 56 A 1 ATOM 424 C CD . ARG A 0 56 . -8.406 -13.424 2.220 1.00 76.55 56 A 1 ATOM 425 N NE . ARG A 0 56 . -8.958 -14.769 1.969 1.00 76.55 56 A 1 ATOM 426 N NH1 . ARG A 0 56 . -10.761 -14.618 3.387 1.00 76.55 56 A 1 ATOM 427 N NH2 . ARG A 0 56 . -10.453 -16.475 2.188 1.00 76.55 56 A 1 ATOM 428 C CZ . ARG A 0 56 . -10.051 -15.278 2.513 1.00 76.55 56 A 1 ATOM 429 N N . MET A 0 57 . -6.100 -8.755 -0.237 1.00 74.95 57 A 1 ATOM 430 C CA . MET A 0 57 . -6.581 -7.516 -0.864 1.00 74.95 57 A 1 ATOM 431 C C . MET A 0 57 . -5.769 -7.078 -2.094 1.00 74.95 57 A 1 ATOM 432 C CB . MET A 0 57 . -6.672 -6.394 0.179 1.00 74.95 57 A 1 ATOM 433 O O . MET A 0 57 . -6.055 -6.014 -2.645 1.00 74.95 57 A 1 ATOM 434 C CG . MET A 0 57 . -7.650 -6.747 1.304 1.00 74.95 57 A 1 ATOM 435 S SD . MET A 0 57 . -7.755 -5.494 2.599 1.00 74.95 57 A 1 ATOM 436 C CE . MET A 0 57 . -8.604 -4.150 1.722 1.00 74.95 57 A 1 ATOM 437 N N . LYS A 0 58 . -4.790 -7.881 -2.553 1.00 74.42 58 A 1 ATOM 438 C CA . LYS A 0 58 . -3.933 -7.564 -3.711 1.00 74.42 58 A 1 ATOM 439 C C . LYS A 0 58 . -4.727 -7.027 -4.897 1.00 74.42 58 A 1 ATOM 440 C CB . LYS A 0 58 . -3.156 -8.817 -4.154 1.00 74.42 58 A 1 ATOM 441 O O . LYS A 0 58 . -4.352 -6.010 -5.468 1.00 74.42 58 A 1 ATOM 442 C CG . LYS A 0 58 . -2.158 -8.490 -5.281 1.00 74.42 58 A 1 ATOM 443 C CD . LYS A 0 58 . -1.477 -9.739 -5.847 1.00 74.42 58 A 1 ATOM 444 C CE . LYS A 0 58 . -2.105 -10.283 -7.130 1.00 74.42 58 A 1 ATOM 445 N NZ . LYS A 0 58 . -1.432 -11.553 -7.507 1.00 74.42 58 A 1 ATOM 446 N N . SER A 0 59 . -5.818 -7.700 -5.261 1.00 71.04 59 A 1 ATOM 447 C CA . SER A 0 59 . -6.602 -7.366 -6.453 1.00 71.04 59 A 1 ATOM 448 C C . SER A 0 59 . -7.194 -5.958 -6.385 1.00 71.04 59 A 1 ATOM 449 C CB . SER A 0 59 . -7.723 -8.391 -6.650 1.00 71.04 59 A 1 ATOM 450 O O . SER A 0 59 . -7.138 -5.229 -7.370 1.00 71.04 59 A 1 ATOM 451 O OG . SER A 0 59 . -7.189 -9.703 -6.616 1.00 71.04 59 A 1 ATOM 452 N N . ALA A 0 60 . -7.699 -5.551 -5.217 1.00 79.98 60 A 1 ATOM 453 C CA . ALA A 0 60 . -8.272 -4.221 -5.032 1.00 79.98 60 A 1 ATOM 454 C C . ALA A 0 60 . -7.187 -3.136 -5.083 1.00 79.98 60 A 1 ATOM 455 C CB . ALA A 0 60 . -9.043 -4.202 -3.706 1.00 79.98 60 A 1 ATOM 456 O O . ALA A 0 60 . -7.322 -2.150 -5.803 1.00 79.98 60 A 1 ATOM 457 N N . LEU A 0 61 . -6.077 -3.351 -4.372 1.00 78.10 61 A 1 ATOM 458 C CA . LEU A 0 61 . -4.978 -2.386 -4.309 1.00 78.10 61 A 1 ATOM 459 C C . LEU A 0 61 . -4.275 -2.231 -5.658 1.00 78.10 61 A 1 ATOM 460 C CB . LEU A 0 61 . -3.991 -2.830 -3.225 1.00 78.10 61 A 1 ATOM 461 O O . LEU A 0 61 . -4.001 -1.113 -6.080 1.00 78.10 61 A 1 ATOM 462 C CG . LEU A 0 61 . -4.597 -2.784 -1.813 1.00 78.10 61 A 1 ATOM 463 C CD1 . LEU A 0 61 . -3.667 -3.526 -0.873 1.00 78.10 61 A 1 ATOM 464 C CD2 . LEU A 0 61 . -4.781 -1.354 -1.308 1.00 78.10 61 A 1 ATOM 465 N N . PHE A 0 62 . -4.027 -3.336 -6.366 1.00 77.11 62 A 1 ATOM 466 C CA . PHE A 0 62 . -3.409 -3.298 -7.688 1.00 77.11 62 A 1 ATOM 467 C C . PHE A 0 62 . -4.302 -2.597 -8.712 1.00 77.11 62 A 1 ATOM 468 C CB . PHE A 0 62 . -3.059 -4.717 -8.150 1.00 77.11 62 A 1 ATOM 469 O O . PHE A 0 62 . -3.786 -1.829 -9.514 1.00 77.11 62 A 1 ATOM 470 C CG . PHE A 0 62 . -2.203 -4.734 -9.403 1.00 77.11 62 A 1 ATOM 471 C CD1 . PHE A 0 62 . -2.795 -4.836 -10.677 1.00 77.11 62 A 1 ATOM 472 C CD2 . PHE A 0 62 . -0.806 -4.599 -9.292 1.00 77.11 62 A 1 ATOM 473 C CE1 . PHE A 0 62 . -1.992 -4.810 -11.831 1.00 77.11 62 A 1 ATOM 474 C CE2 . PHE A 0 62 . -0.003 -4.577 -10.447 1.00 77.11 62 A 1 ATOM 475 C CZ . PHE A 0 62 . -0.597 -4.684 -11.717 1.00 77.11 62 A 1 ATOM 476 N N . SER A 0 63 . -5.623 -2.808 -8.666 1.00 79.40 63 A 1 ATOM 477 C CA . SER A 0 63 . -6.552 -2.111 -9.563 1.00 79.40 63 A 1 ATOM 478 C C . SER A 0 63 . -6.475 -0.597 -9.367 1.00 79.40 63 A 1 ATOM 479 C CB . SER A 0 63 . -7.983 -2.610 -9.350 1.00 79.40 63 A 1 ATOM 480 O O . SER A 0 63 . -6.264 0.131 -10.331 1.00 79.40 63 A 1 ATOM 481 O OG . SER A 0 63 . -8.788 -2.279 -10.462 1.00 79.40 63 A 1 ATOM 482 N N . VAL A 0 64 . -6.537 -0.126 -8.116 1.00 81.62 64 A 1 ATOM 483 C CA . VAL A 0 64 . -6.450 1.307 -7.791 1.00 81.62 64 A 1 ATOM 484 C C . VAL A 0 64 . -5.093 1.890 -8.189 1.00 81.62 64 A 1 ATOM 485 C CB . VAL A 0 64 . -6.731 1.535 -6.293 1.00 81.62 64 A 1 ATOM 486 O O . VAL A 0 64 . -5.033 2.941 -8.822 1.00 81.62 64 A 1 ATOM 487 C CG1 . VAL A 0 64 . -6.525 2.995 -5.871 1.00 81.62 64 A 1 ATOM 488 C CG2 . VAL A 0 64 . -8.177 1.159 -5.945 1.00 81.62 64 A 1 ATOM 489 N N . LEU A 0 65 . -3.991 1.203 -7.868 1.00 76.95 65 A 1 ATOM 490 C CA . LEU A 0 65 . -2.649 1.653 -8.245 1.00 76.95 65 A 1 ATOM 491 C C . LEU A 0 65 . -2.450 1.666 -9.764 1.00 76.95 65 A 1 ATOM 492 C CB . LEU A 0 65 . -1.591 0.753 -7.590 1.00 76.95 65 A 1 ATOM 493 O O . LEU A 0 65 . -1.829 2.591 -10.277 1.00 76.95 65 A 1 ATOM 494 C CG . LEU A 0 65 . -1.465 0.905 -6.065 1.00 76.95 65 A 1 ATOM 495 C CD1 . LEU A 0 65 . -0.548 -0.206 -5.551 1.00 76.95 65 A 1 ATOM 496 C CD2 . LEU A 0 65 . -0.887 2.261 -5.656 1.00 76.95 65 A 1 ATOM 497 N N . CYS A 0 66 . -2.973 0.675 -10.492 1.00 80.22 66 A 1 ATOM 498 C CA . CYS A 0 66 . -2.872 0.618 -11.949 1.00 80.22 66 A 1 ATOM 499 C C . CYS A 0 66 . -3.710 1.717 -12.612 1.00 80.22 66 A 1 ATOM 500 C CB . CYS A 0 66 . -3.289 -0.771 -12.445 1.00 80.22 66 A 1 ATOM 501 O O . CYS A 0 66 . -3.250 2.325 -13.577 1.00 80.22 66 A 1 ATOM 502 S SG . CYS A 0 66 . -2.753 -0.967 -14.169 1.00 80.22 66 A 1 ATOM 503 N N . GLU A 0 67 . -4.899 2.013 -12.079 1.00 84.69 67 A 1 ATOM 504 C CA . GLU A 0 67 . -5.707 3.151 -12.522 1.00 84.69 67 A 1 ATOM 505 C C . GLU A 0 67 . -4.984 4.477 -12.283 1.00 84.69 67 A 1 ATOM 506 C CB . GLU A 0 67 . -7.061 3.186 -11.802 1.00 84.69 67 A 1 ATOM 507 O O . GLU A 0 67 . -4.889 5.298 -13.192 1.00 84.69 67 A 1 ATOM 508 C CG . GLU A 0 67 . -8.087 2.225 -12.408 1.00 84.69 67 A 1 ATOM 509 C CD . GLU A 0 67 . -9.486 2.608 -11.919 1.00 84.69 67 A 1 ATOM 510 O OE1 . GLU A 0 67 . -10.033 3.588 -12.478 1.00 84.69 67 A 1 ATOM 511 O OE2 . GLU A 0 67 . -9.968 1.959 -10.962 1.00 84.69 67 A 1 ATOM 512 N N . ILE A 0 68 . -4.427 4.689 -11.087 1.00 79.34 68 A 1 ATOM 513 C CA . ILE A 0 68 . -3.686 5.918 -10.770 1.00 79.34 68 A 1 ATOM 514 C C . ILE A 0 68 . -2.439 6.030 -11.648 1.00 79.34 68 A 1 ATOM 515 C CB . ILE A 0 68 . -3.346 5.988 -9.267 1.00 79.34 68 A 1 ATOM 516 O O . ILE A 0 68 . -2.192 7.099 -12.207 1.00 79.34 68 A 1 ATOM 517 C CG1 . ILE A 0 68 . -4.642 6.141 -8.436 1.00 79.34 68 A 1 ATOM 518 C CG2 . ILE A 0 68 . -2.402 7.171 -8.972 1.00 79.34 68 A 1 ATOM 519 C CD1 . ILE A 0 68 . -4.435 5.883 -6.939 1.00 79.34 68 A 1 ATOM 520 N N . LYS A 0 69 . -1.682 4.940 -11.826 1.00 73.17 69 A 1 ATOM 521 C CA . LYS A 0 69 . -0.503 4.912 -12.698 1.00 73.17 69 A 1 ATOM 522 C C . LYS A 0 69 . -0.877 5.278 -14.138 1.00 73.17 69 A 1 ATOM 523 C CB . LYS A 0 69 . 0.194 3.546 -12.590 1.00 73.17 69 A 1 ATOM 524 O O . LYS A 0 69 . -0.279 6.186 -14.705 1.00 73.17 69 A 1 ATOM 525 C CG . LYS A 0 69 . 1.484 3.561 -13.414 1.00 73.17 69 A 1 ATOM 526 C CD . LYS A 0 69 . 2.305 2.274 -13.316 1.00 73.17 69 A 1 ATOM 527 C CE . LYS A 0 69 . 3.504 2.496 -14.245 1.00 73.17 69 A 1 ATOM 528 N NZ . LYS A 0 69 . 4.455 1.365 -14.265 1.00 73.17 69 A 1 ATOM 529 N N . GLY A 0 70 . -1.928 4.660 -14.683 1.00 74.71 70 A 1 ATOM 530 C CA . GLY A 0 70 . -2.433 4.965 -16.024 1.00 74.71 70 A 1 ATOM 531 C C . GLY A 0 70 . -2.929 6.406 -16.178 1.00 74.71 70 A 1 ATOM 532 O O . GLY A 0 70 . -2.691 7.025 -17.210 1.00 74.71 70 A 1 ATOM 533 N N . LYS A 0 71 . -3.567 6.973 -15.144 1.00 75.81 71 A 1 ATOM 534 C CA . LYS A 0 71 . -4.040 8.370 -15.147 1.00 75.81 71 A 1 ATOM 535 C C . LYS A 0 71 . -2.915 9.390 -14.994 1.00 75.81 71 A 1 ATOM 536 C CB . LYS A 0 71 . -5.086 8.575 -14.042 1.00 75.81 71 A 1 ATOM 537 O O . LYS A 0 71 . -3.042 10.497 -15.504 1.00 75.81 71 A 1 ATOM 538 C CG . LYS A 0 71 . -6.407 7.878 -14.399 1.00 75.81 71 A 1 ATOM 539 C CD . LYS A 0 71 . -7.450 7.966 -13.281 1.00 75.81 71 A 1 ATOM 540 C CE . LYS A 0 71 . -8.076 9.363 -13.219 1.00 75.81 71 A 1 ATOM 541 N NZ . LYS A 0 71 . -9.246 9.372 -12.310 1.00 75.81 71 A 1 ATOM 542 N N . THR A 0 72 . -1.846 9.035 -14.285 1.00 70.06 72 A 1 ATOM 543 C CA . THR A 0 72 . -0.709 9.937 -14.034 1.00 70.06 72 A 1 ATOM 544 C C . THR A 0 72 . 0.307 9.905 -15.182 1.00 70.06 72 A 1 ATOM 545 C CB . THR A 0 72 . -0.058 9.658 -12.666 1.00 70.06 72 A 1 ATOM 546 O O . THR A 0 72 . 1.120 10.814 -15.294 1.00 70.06 72 A 1 ATOM 547 C CG2 . THR A 0 72 . 0.816 10.807 -12.162 1.00 70.06 72 A 1 ATOM 548 O OG1 . THR A 0 72 . -1.057 9.487 -11.680 1.00 70.06 72 A 1 ATOM 549 N N . GLY A 0 73 . 0.239 8.912 -16.078 1.00 58.83 73 A 1 ATOM 550 C CA . GLY A 0 73 . 1.115 8.831 -17.251 1.00 58.83 73 A 1 ATOM 551 C C . GLY A 0 73 . 2.579 8.510 -16.924 1.00 58.83 73 A 1 ATOM 552 O O . GLY A 0 73 . 3.451 8.836 -17.726 1.00 58.83 73 A 1 ATOM 553 N N . LEU A 0 74 . 2.841 7.897 -15.760 1.00 50.43 74 A 1 ATOM 554 C CA . LEU A 0 74 . 4.148 7.339 -15.374 1.00 50.43 74 A 1 ATOM 555 C C . LEU A 0 74 . 4.267 5.875 -15.816 1.00 50.43 74 A 1 ATOM 556 C CB . LEU A 0 74 . 4.348 7.460 -13.844 1.00 50.43 74 A 1 ATOM 557 O O . LEU A 0 74 . 5.363 5.473 -16.258 1.00 50.43 74 A 1 ATOM 558 C CG . LEU A 0 74 . 4.364 8.873 -13.246 1.00 50.43 74 A 1 ATOM 559 C CD1 . LEU A 0 74 . 4.513 8.758 -11.728 1.00 50.43 74 A 1 ATOM 560 C CD2 . LEU A 0 74 . 5.522 9.711 -13.784 1.00 50.43 74 A 1 ATOM 561 O OXT . LEU A 0 74 . 3.292 5.127 -15.575 1.00 50.43 74 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 70.48 # loop_ _atom_type.symbol C N O S #