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 ASP 0 3 GLU 0 4 TYR 0 5 ASP 0 6 THR 0 7 ASP 0 8 ASP 0 9 ILE 0 10 ASP 0 11 ASP 0 12 ASP 0 13 PHE 0 14 SER 0 15 ASP 0 16 TYR 0 17 ASP 0 18 THR 0 19 GLU 0 20 LEU 0 21 LEU 0 22 CYS 0 23 GLN 0 24 ARG 0 25 LEU 0 26 ASN 0 27 ASP 0 28 TYR 0 29 LEU 0 30 GLU 0 31 GLN 0 32 LEU 0 33 LYS 0 34 LYS 0 35 SER 0 36 CYS 0 37 VAL 0 38 ARG 0 39 VAL 0 40 PRO 0 41 ILE 0 42 GLN 0 43 HIS 0 44 TYR 0 45 ASP 0 46 THR 0 47 GLU 0 48 LEU 0 49 LEU 0 50 CYS 0 51 SER 0 52 SER 0 53 MET 0 54 ASN 0 55 ASN 0 56 LEU 0 57 VAL 0 58 GLN 0 59 PHE 0 60 ILE 0 61 GLU 0 62 ASN 0 63 GLY 0 64 CYS 0 65 LYS 0 66 ASP 0 67 PRO 0 68 ALA 0 69 GLU # 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 . 20.490 -2.951 -51.473 1.00 45.51 1 A 1 ATOM 2 C CA . MET A 0 1 . 20.081 -3.869 -50.398 1.00 45.51 1 A 1 ATOM 3 C C . MET A 0 1 . 19.675 -2.930 -49.300 1.00 45.51 1 A 1 ATOM 4 C CB . MET A 0 1 . 21.211 -4.845 -50.014 1.00 45.51 1 A 1 ATOM 5 O O . MET A 0 1 . 20.545 -2.288 -48.733 1.00 45.51 1 A 1 ATOM 6 C CG . MET A 0 1 . 20.760 -5.993 -49.101 1.00 45.51 1 A 1 ATOM 7 S SD . MET A 0 1 . 21.868 -7.432 -49.195 1.00 45.51 1 A 1 ATOM 8 C CE . MET A 0 1 . 21.054 -8.545 -48.015 1.00 45.51 1 A 1 ATOM 9 N N . ASP A 0 2 . 18.373 -2.685 -49.215 1.00 56.17 2 A 1 ATOM 10 C CA . ASP A 0 2 . 17.801 -1.680 -48.329 1.00 56.17 2 A 1 ATOM 11 C C . ASP A 0 2 . 17.655 -2.334 -46.954 1.00 56.17 2 A 1 ATOM 12 C CB . ASP A 0 2 . 16.475 -1.161 -48.923 1.00 56.17 2 A 1 ATOM 13 O O . ASP A 0 2 . 16.708 -3.081 -46.710 1.00 56.17 2 A 1 ATOM 14 C CG . ASP A 0 2 . 16.667 -0.594 -50.336 1.00 56.17 2 A 1 ATOM 15 O OD1 . ASP A 0 2 . 17.608 0.207 -50.533 1.00 56.17 2 A 1 ATOM 16 O OD2 . ASP A 0 2 . 15.980 -1.081 -51.264 1.00 56.17 2 A 1 ATOM 17 N N . GLU A 0 3 . 18.661 -2.148 -46.101 1.00 59.80 3 A 1 ATOM 18 C CA . GLU A 0 3 . 18.527 -2.395 -44.667 1.00 59.80 3 A 1 ATOM 19 C C . GLU A 0 3 . 17.684 -1.251 -44.107 1.00 59.80 3 A 1 ATOM 20 C CB . GLU A 0 3 . 19.907 -2.523 -43.984 1.00 59.80 3 A 1 ATOM 21 O O . GLU A 0 3 . 18.160 -0.138 -43.902 1.00 59.80 3 A 1 ATOM 22 C CG . GLU A 0 3 . 20.323 -4.000 -43.887 1.00 59.80 3 A 1 ATOM 23 C CD . GLU A 0 3 . 21.767 -4.220 -43.402 1.00 59.80 3 A 1 ATOM 24 O OE1 . GLU A 0 3 . 21.981 -5.202 -42.653 1.00 59.80 3 A 1 ATOM 25 O OE2 . GLU A 0 3 . 22.673 -3.529 -43.923 1.00 59.80 3 A 1 ATOM 26 N N . TYR A 0 4 . 16.388 -1.511 -43.949 1.00 62.84 4 A 1 ATOM 27 C CA . TYR A 0 4 . 15.584 -0.741 -43.017 1.00 62.84 4 A 1 ATOM 28 C C . TYR A 0 4 . 15.998 -1.193 -41.617 1.00 62.84 4 A 1 ATOM 29 C CB . TYR A 0 4 . 14.089 -0.942 -43.299 1.00 62.84 4 A 1 ATOM 30 O O . TYR A 0 4 . 15.611 -2.280 -41.178 1.00 62.84 4 A 1 ATOM 31 C CG . TYR A 0 4 . 13.575 -0.110 -44.461 1.00 62.84 4 A 1 ATOM 32 C CD1 . TYR A 0 4 . 13.139 1.207 -44.223 1.00 62.84 4 A 1 ATOM 33 C CD2 . TYR A 0 4 . 13.556 -0.631 -45.770 1.00 62.84 4 A 1 ATOM 34 C CE1 . TYR A 0 4 . 12.673 2.004 -45.285 1.00 62.84 4 A 1 ATOM 35 C CE2 . TYR A 0 4 . 13.084 0.160 -46.838 1.00 62.84 4 A 1 ATOM 36 O OH . TYR A 0 4 . 12.186 2.248 -47.618 1.00 62.84 4 A 1 ATOM 37 C CZ . TYR A 0 4 . 12.641 1.478 -46.595 1.00 62.84 4 A 1 ATOM 38 N N . ASP A 0 5 . 16.824 -0.375 -40.965 1.00 57.59 5 A 1 ATOM 39 C CA . ASP A 0 5 . 17.128 -0.495 -39.544 1.00 57.59 5 A 1 ATOM 40 C C . ASP A 0 5 . 15.811 -0.553 -38.773 1.00 57.59 5 A 1 ATOM 41 C CB . ASP A 0 5 . 18.006 0.675 -39.053 1.00 57.59 5 A 1 ATOM 42 O O . ASP A 0 5 . 14.955 0.327 -38.866 1.00 57.59 5 A 1 ATOM 43 C CG . ASP A 0 5 . 19.505 0.424 -39.262 1.00 57.59 5 A 1 ATOM 44 O OD1 . ASP A 0 5 . 19.930 -0.735 -39.052 1.00 57.59 5 A 1 ATOM 45 O OD2 . ASP A 0 5 . 20.198 1.370 -39.708 1.00 57.59 5 A 1 ATOM 46 N N . THR A 0 6 . 15.629 -1.647 -38.040 1.00 62.66 6 A 1 ATOM 47 C CA . THR A 0 6 . 14.464 -1.885 -37.178 1.00 62.66 6 A 1 ATOM 48 C C . THR A 0 6 . 14.680 -1.238 -35.801 1.00 62.66 6 A 1 ATOM 49 C CB . THR A 0 6 . 14.137 -3.390 -37.116 1.00 62.66 6 A 1 ATOM 50 O O . THR A 0 6 . 14.138 -1.703 -34.805 1.00 62.66 6 A 1 ATOM 51 C CG2 . THR A 0 6 . 12.698 -3.704 -36.695 1.00 62.66 6 A 1 ATOM 52 O OG1 . THR A 0 6 . 14.269 -3.961 -38.406 1.00 62.66 6 A 1 ATOM 53 N N . ASP A 0 7 . 15.463 -0.157 -35.755 1.00 58.15 7 A 1 ATOM 54 C CA . ASP A 0 7 . 15.826 0.593 -34.544 1.00 58.15 7 A 1 ATOM 55 C C . ASP A 0 7 . 14.772 1.653 -34.158 1.00 58.15 7 A 1 ATOM 56 C CB . ASP A 0 7 . 17.239 1.189 -34.710 1.00 58.15 7 A 1 ATOM 57 O O . ASP A 0 7 . 14.989 2.454 -33.260 1.00 58.15 7 A 1 ATOM 58 C CG . ASP A 0 7 . 18.359 0.137 -34.719 1.00 58.15 7 A 1 ATOM 59 O OD1 . ASP A 0 7 . 18.214 -0.912 -34.048 1.00 58.15 7 A 1 ATOM 60 O OD2 . ASP A 0 7 . 19.379 0.395 -35.392 1.00 58.15 7 A 1 ATOM 61 N N . ASP A 0 8 . 13.600 1.640 -34.803 1.00 55.65 8 A 1 ATOM 62 C CA . ASP A 0 8 . 12.452 2.519 -34.509 1.00 55.65 8 A 1 ATOM 63 C C . ASP A 0 8 . 11.332 1.780 -33.738 1.00 55.65 8 A 1 ATOM 64 C CB . ASP A 0 8 . 11.982 3.217 -35.808 1.00 55.65 8 A 1 ATOM 65 O O . ASP A 0 8 . 10.139 2.044 -33.897 1.00 55.65 8 A 1 ATOM 66 C CG . ASP A 0 8 . 12.281 4.723 -35.878 1.00 55.65 8 A 1 ATOM 67 O OD1 . ASP A 0 8 . 12.289 5.403 -34.829 1.00 55.65 8 A 1 ATOM 68 O OD2 . ASP A 0 8 . 12.418 5.215 -37.024 1.00 55.65 8 A 1 ATOM 69 N N . ILE A 0 9 . 11.707 0.804 -32.904 1.00 57.52 9 A 1 ATOM 70 C CA . ILE A 0 9 . 10.834 0.256 -31.850 1.00 57.52 9 A 1 ATOM 71 C C . ILE A 0 9 . 11.581 0.360 -30.516 1.00 57.52 9 A 1 ATOM 72 C CB . ILE A 0 9 . 10.263 -1.152 -32.174 1.00 57.52 9 A 1 ATOM 73 O O . ILE A 0 9 . 11.760 -0.616 -29.791 1.00 57.52 9 A 1 ATOM 74 C CG1 . ILE A 0 9 . 9.660 -1.206 -33.601 1.00 57.52 9 A 1 ATOM 75 C CG2 . ILE A 0 9 . 9.161 -1.538 -31.158 1.00 57.52 9 A 1 ATOM 76 C CD1 . ILE A 0 9 . 9.130 -2.579 -34.035 1.00 57.52 9 A 1 ATOM 77 N N . ASP A 0 10 . 12.044 1.568 -30.202 1.00 54.22 10 A 1 ATOM 78 C CA . ASP A 0 10 . 12.332 1.956 -28.825 1.00 54.22 10 A 1 ATOM 79 C C . ASP A 0 10 . 10.990 2.201 -28.118 1.00 54.22 10 A 1 ATOM 80 C CB . ASP A 0 10 . 13.286 3.166 -28.769 1.00 54.22 10 A 1 ATOM 81 O O . ASP A 0 10 . 10.354 3.240 -28.260 1.00 54.22 10 A 1 ATOM 82 C CG . ASP A 0 10 . 14.729 2.763 -28.432 1.00 54.22 10 A 1 ATOM 83 O OD1 . ASP A 0 10 . 14.911 2.024 -27.436 1.00 54.22 10 A 1 ATOM 84 O OD2 . ASP A 0 10 . 15.654 3.236 -29.127 1.00 54.22 10 A 1 ATOM 85 N N . ASP A 0 11 . 10.514 1.149 -27.455 1.00 56.27 11 A 1 ATOM 86 C CA . ASP A 0 11 . 9.836 1.159 -26.153 1.00 56.27 11 A 1 ATOM 87 C C . ASP A 0 11 . 9.022 2.427 -25.782 1.00 56.27 11 A 1 ATOM 88 C CB . ASP A 0 11 . 10.879 0.734 -25.091 1.00 56.27 11 A 1 ATOM 89 O O . ASP A 0 11 . 9.240 3.072 -24.750 1.00 56.27 11 A 1 ATOM 90 C CG . ASP A 0 11 . 10.333 -0.174 -23.978 1.00 56.27 11 A 1 ATOM 91 O OD1 . ASP A 0 11 . 9.156 -0.601 -24.062 1.00 56.27 11 A 1 ATOM 92 O OD2 . ASP A 0 11 . 11.124 -0.509 -23.067 1.00 56.27 11 A 1 ATOM 93 N N . ASP A 0 12 . 8.003 2.753 -26.588 1.00 55.47 12 A 1 ATOM 94 C CA . ASP A 0 12 . 6.949 3.743 -26.280 1.00 55.47 12 A 1 ATOM 95 C C . ASP A 0 12 . 5.953 3.200 -25.225 1.00 55.47 12 A 1 ATOM 96 C CB . ASP A 0 12 . 6.279 4.244 -27.575 1.00 55.47 12 A 1 ATOM 97 O O . ASP A 0 12 . 4.730 3.244 -25.359 1.00 55.47 12 A 1 ATOM 98 C CG . ASP A 0 12 . 5.451 5.530 -27.391 1.00 55.47 12 A 1 ATOM 99 O OD1 . ASP A 0 12 . 5.835 6.369 -26.546 1.00 55.47 12 A 1 ATOM 100 O OD2 . ASP A 0 12 . 4.456 5.694 -28.140 1.00 55.47 12 A 1 ATOM 101 N N . PHE A 0 13 . 6.505 2.597 -24.171 1.00 53.65 13 A 1 ATOM 102 C CA . PHE A 0 13 . 5.848 2.272 -22.905 1.00 53.65 13 A 1 ATOM 103 C C . PHE A 0 13 . 6.591 2.876 -21.701 1.00 53.65 13 A 1 ATOM 104 C CB . PHE A 0 13 . 5.669 0.749 -22.772 1.00 53.65 13 A 1 ATOM 105 O O . PHE A 0 13 . 6.149 2.695 -20.565 1.00 53.65 13 A 1 ATOM 106 C CG . PHE A 0 13 . 4.302 0.263 -23.211 1.00 53.65 13 A 1 ATOM 107 C CD1 . PHE A 0 13 . 3.230 0.256 -22.297 1.00 53.65 13 A 1 ATOM 108 C CD2 . PHE A 0 13 . 4.094 -0.163 -24.533 1.00 53.65 13 A 1 ATOM 109 C CE1 . PHE A 0 13 . 1.956 -0.181 -22.704 1.00 53.65 13 A 1 ATOM 110 C CE2 . PHE A 0 13 . 2.821 -0.599 -24.942 1.00 53.65 13 A 1 ATOM 111 C CZ . PHE A 0 13 . 1.751 -0.607 -24.029 1.00 53.65 13 A 1 ATOM 112 N N . SER A 0 14 . 7.681 3.617 -21.930 1.00 54.33 14 A 1 ATOM 113 C CA . SER A 0 14 . 8.488 4.247 -20.874 1.00 54.33 14 A 1 ATOM 114 C C . SER A 0 14 . 7.869 5.521 -20.282 1.00 54.33 14 A 1 ATOM 115 C CB . SER A 0 14 . 9.912 4.503 -21.381 1.00 54.33 14 A 1 ATOM 116 O O . SER A 0 14 . 8.289 5.947 -19.210 1.00 54.33 14 A 1 ATOM 117 O OG . SER A 0 14 . 9.910 5.251 -22.581 1.00 54.33 14 A 1 ATOM 118 N N . ASP A 0 15 . 6.828 6.071 -20.915 1.00 52.65 15 A 1 ATOM 119 C CA . ASP A 0 15 . 6.195 7.337 -20.520 1.00 52.65 15 A 1 ATOM 120 C C . ASP A 0 15 . 4.720 7.166 -20.109 1.00 52.65 15 A 1 ATOM 121 C CB . ASP A 0 15 . 6.428 8.388 -21.627 1.00 52.65 15 A 1 ATOM 122 O O . ASP A 0 15 . 3.904 8.090 -20.178 1.00 52.65 15 A 1 ATOM 123 C CG . ASP A 0 15 . 6.882 9.770 -21.128 1.00 52.65 15 A 1 ATOM 124 O OD1 . ASP A 0 15 . 7.308 9.891 -19.957 1.00 52.65 15 A 1 ATOM 125 O OD2 . ASP A 0 15 . 6.827 10.715 -21.949 1.00 52.65 15 A 1 ATOM 126 N N . TYR A 0 16 . 4.341 5.973 -19.622 1.00 54.16 16 A 1 ATOM 127 C CA . TYR A 0 16 . 3.260 5.945 -18.636 1.00 54.16 16 A 1 ATOM 128 C C . TYR A 0 16 . 3.789 6.682 -17.420 1.00 54.16 16 A 1 ATOM 129 C CB . TYR A 0 16 . 2.797 4.526 -18.271 1.00 54.16 16 A 1 ATOM 130 O O . TYR A 0 16 . 4.435 6.063 -16.584 1.00 54.16 16 A 1 ATOM 131 C CG . TYR A 0 16 . 1.551 4.109 -19.014 1.00 54.16 16 A 1 ATOM 132 C CD1 . TYR A 0 16 . 0.279 4.502 -18.550 1.00 54.16 16 A 1 ATOM 133 C CD2 . TYR A 0 16 . 1.677 3.363 -20.196 1.00 54.16 16 A 1 ATOM 134 C CE1 . TYR A 0 16 . -0.875 4.135 -19.271 1.00 54.16 16 A 1 ATOM 135 C CE2 . TYR A 0 16 . 0.532 3.002 -20.925 1.00 54.16 16 A 1 ATOM 136 O OH . TYR A 0 16 . -1.846 3.048 -21.181 1.00 54.16 16 A 1 ATOM 137 C CZ . TYR A 0 16 . -0.744 3.388 -20.462 1.00 54.16 16 A 1 ATOM 138 N N . ASP A 0 17 . 3.530 7.991 -17.393 1.00 60.21 17 A 1 ATOM 139 C CA . ASP A 0 17 . 3.914 8.951 -16.369 1.00 60.21 17 A 1 ATOM 140 C C . ASP A 0 17 . 3.674 8.309 -14.998 1.00 60.21 17 A 1 ATOM 141 C CB . ASP A 0 17 . 3.117 10.237 -16.658 1.00 60.21 17 A 1 ATOM 142 O O . ASP A 0 17 . 2.549 8.226 -14.483 1.00 60.21 17 A 1 ATOM 143 C CG . ASP A 0 17 . 3.534 11.459 -15.848 1.00 60.21 17 A 1 ATOM 144 O OD1 . ASP A 0 17 . 4.155 11.252 -14.786 1.00 60.21 17 A 1 ATOM 145 O OD2 . ASP A 0 17 . 3.094 12.568 -16.234 1.00 60.21 17 A 1 ATOM 146 N N . THR A 0 18 . 4.733 7.681 -14.486 1.00 61.36 18 A 1 ATOM 147 C CA . THR A 0 18 . 4.679 6.859 -13.282 1.00 61.36 18 A 1 ATOM 148 C C . THR A 0 18 . 4.272 7.764 -12.140 1.00 61.36 18 A 1 ATOM 149 C CB . THR A 0 18 . 6.023 6.171 -12.996 1.00 61.36 18 A 1 ATOM 150 O O . THR A 0 18 . 3.453 7.370 -11.316 1.00 61.36 18 A 1 ATOM 151 C CG2 . THR A 0 18 . 6.272 4.964 -13.900 1.00 61.36 18 A 1 ATOM 152 O OG1 . THR A 0 18 . 7.080 7.074 -13.202 1.00 61.36 18 A 1 ATOM 153 N N . GLU A 0 19 . 4.696 9.027 -12.181 1.00 64.44 19 A 1 ATOM 154 C CA . GLU A 0 19 . 4.235 10.082 -11.295 1.00 64.44 19 A 1 ATOM 155 C C . GLU A 0 19 . 2.720 10.301 -11.400 1.00 64.44 19 A 1 ATOM 156 C CB . GLU A 0 19 . 4.976 11.401 -11.555 1.00 64.44 19 A 1 ATOM 157 O O . GLU A 0 19 . 2.046 10.319 -10.368 1.00 64.44 19 A 1 ATOM 158 C CG . GLU A 0 19 . 6.506 11.273 -11.627 1.00 64.44 19 A 1 ATOM 159 C CD . GLU A 0 19 . 7.203 12.646 -11.622 1.00 64.44 19 A 1 ATOM 160 O OE1 . GLU A 0 19 . 8.376 12.693 -11.187 1.00 64.44 19 A 1 ATOM 161 O OE2 . GLU A 0 19 . 6.546 13.666 -11.937 1.00 64.44 19 A 1 ATOM 162 N N . LEU A 0 20 . 2.140 10.393 -12.603 1.00 65.02 20 A 1 ATOM 163 C CA . LEU A 0 20 . 0.685 10.517 -12.785 1.00 65.02 20 A 1 ATOM 164 C C . LEU A 0 20 . -0.083 9.294 -12.257 1.00 65.02 20 A 1 ATOM 165 C CB . LEU A 0 20 . 0.366 10.739 -14.273 1.00 65.02 20 A 1 ATOM 166 O O . LEU A 0 20 . -1.151 9.440 -11.650 1.00 65.02 20 A 1 ATOM 167 C CG . LEU A 0 20 . -1.110 11.052 -14.570 1.00 65.02 20 A 1 ATOM 168 C CD1 . LEU A 0 20 . -1.532 12.418 -14.026 1.00 65.02 20 A 1 ATOM 169 C CD2 . LEU A 0 20 . -1.365 11.036 -16.078 1.00 65.02 20 A 1 ATOM 170 N N . LEU A 0 21 . 0.435 8.083 -12.471 1.00 63.09 21 A 1 ATOM 171 C CA . LEU A 0 21 . -0.148 6.856 -11.920 1.00 63.09 21 A 1 ATOM 172 C C . LEU A 0 21 . -0.082 6.861 -10.390 1.00 63.09 21 A 1 ATOM 173 C CB . LEU A 0 21 . 0.564 5.624 -12.506 1.00 63.09 21 A 1 ATOM 174 O O . LEU A 0 21 . -1.090 6.593 -9.732 1.00 63.09 21 A 1 ATOM 175 C CG . LEU A 0 21 . 0.167 5.295 -13.956 1.00 63.09 21 A 1 ATOM 176 C CD1 . LEU A 0 21 . 1.090 4.208 -14.504 1.00 63.09 21 A 1 ATOM 177 C CD2 . LEU A 0 21 . -1.275 4.773 -14.046 1.00 63.09 21 A 1 ATOM 178 N N . CYS A 0 22 . 1.060 7.244 -9.825 1.00 65.41 22 A 1 ATOM 179 C CA . CYS A 0 22 . 1.269 7.388 -8.391 1.00 65.41 22 A 1 ATOM 180 C C . CYS A 0 22 . 0.358 8.461 -7.785 1.00 65.41 22 A 1 ATOM 181 C CB . CYS A 0 22 . 2.749 7.702 -8.159 1.00 65.41 22 A 1 ATOM 182 O O . CYS A 0 22 . -0.204 8.250 -6.711 1.00 65.41 22 A 1 ATOM 183 S SG . CYS A 0 22 . 3.813 6.307 -8.585 1.00 65.41 22 A 1 ATOM 184 N N . GLN A 0 23 . 0.143 9.587 -8.467 1.00 67.80 23 A 1 ATOM 185 C CA . GLN A 0 23 . -0.788 10.635 -8.042 1.00 67.80 23 A 1 ATOM 186 C C . GLN A 0 23 . -2.232 10.128 -8.014 1.00 67.80 23 A 1 ATOM 187 C CB . GLN A 0 23 . -0.686 11.843 -8.978 1.00 67.80 23 A 1 ATOM 188 O O . GLN A 0 23 . -2.890 10.201 -6.978 1.00 67.80 23 A 1 ATOM 189 C CG . GLN A 0 23 . 0.559 12.702 -8.721 1.00 67.80 23 A 1 ATOM 190 C CD . GLN A 0 23 . 0.706 13.812 -9.758 1.00 67.80 23 A 1 ATOM 191 N NE2 . GLN A 0 23 . 1.817 14.512 -9.767 1.00 67.80 23 A 1 ATOM 192 O OE1 . GLN A 0 23 . -0.174 14.089 -10.558 1.00 67.80 23 A 1 ATOM 193 N N . ARG A 0 24 . -2.717 9.544 -9.118 1.00 71.00 24 A 1 ATOM 194 C CA . ARG A 0 24 . -4.083 8.989 -9.193 1.00 71.00 24 A 1 ATOM 195 C C . ARG A 0 24 . -4.326 7.920 -8.139 1.00 71.00 24 A 1 ATOM 196 C CB . ARG A 0 24 . -4.317 8.372 -10.573 1.00 71.00 24 A 1 ATOM 197 O O . ARG A 0 24 . -5.423 7.804 -7.592 1.00 71.00 24 A 1 ATOM 198 C CG . ARG A 0 24 . -4.521 9.444 -11.642 1.00 71.00 24 A 1 ATOM 199 C CD . ARG A 0 24 . -4.742 8.755 -12.987 1.00 71.00 24 A 1 ATOM 200 N NE . ARG A 0 24 . -4.932 9.745 -14.057 1.00 71.00 24 A 1 ATOM 201 N NH1 . ARG A 0 24 . -5.518 8.267 -15.711 1.00 71.00 24 A 1 ATOM 202 N NH2 . ARG A 0 24 . -5.325 10.443 -16.182 1.00 71.00 24 A 1 ATOM 203 C CZ . ARG A 0 24 . -5.262 9.482 -15.306 1.00 71.00 24 A 1 ATOM 204 N N . LEU A 0 25 . -3.305 7.123 -7.864 1.00 67.71 25 A 1 ATOM 205 C CA . LEU A 0 25 . -3.388 6.080 -6.868 1.00 67.71 25 A 1 ATOM 206 C C . LEU A 0 25 . -3.365 6.640 -5.446 1.00 67.71 25 A 1 ATOM 207 C CB . LEU A 0 25 . -2.242 5.131 -7.138 1.00 67.71 25 A 1 ATOM 208 O O . LEU A 0 25 . -4.151 6.181 -4.624 1.00 67.71 25 A 1 ATOM 209 C CG . LEU A 0 25 . -2.390 3.806 -6.403 1.00 67.71 25 A 1 ATOM 210 C CD1 . LEU A 0 25 . -3.492 2.900 -6.948 1.00 67.71 25 A 1 ATOM 211 C CD2 . LEU A 0 25 . -1.065 3.140 -6.631 1.00 67.71 25 A 1 ATOM 212 N N . ASN A 0 26 . -2.553 7.661 -5.165 1.00 69.52 26 A 1 ATOM 213 C CA . ASN A 0 26 . -2.609 8.395 -3.901 1.00 69.52 26 A 1 ATOM 214 C C . ASN A 0 26 . -4.002 8.996 -3.665 1.00 69.52 26 A 1 ATOM 215 C CB . ASN A 0 26 . -1.509 9.467 -3.867 1.00 69.52 26 A 1 ATOM 216 O O . ASN A 0 26 . -4.571 8.789 -2.593 1.00 69.52 26 A 1 ATOM 217 C CG . ASN A 0 26 . -0.192 8.899 -3.378 1.00 69.52 26 A 1 ATOM 218 N ND2 . ASN A 0 26 . 0.863 8.998 -4.147 1.00 69.52 26 A 1 ATOM 219 O OD1 . ASN A 0 26 . -0.108 8.348 -2.294 1.00 69.52 26 A 1 ATOM 220 N N . ASP A 0 27 . -4.604 9.622 -4.679 1.00 75.66 27 A 1 ATOM 221 C CA . ASP A 0 27 . -5.974 10.148 -4.605 1.00 75.66 27 A 1 ATOM 222 C C . ASP A 0 27 . -7.000 9.045 -4.296 1.00 75.66 27 A 1 ATOM 223 C CB . ASP A 0 27 . -6.358 10.803 -5.944 1.00 75.66 27 A 1 ATOM 224 O O . ASP A 0 27 . -7.915 9.227 -3.483 1.00 75.66 27 A 1 ATOM 225 C CG . ASP A 0 27 . -5.847 12.230 -6.144 1.00 75.66 27 A 1 ATOM 226 O OD1 . ASP A 0 27 . -5.305 12.815 -5.184 1.00 75.66 27 A 1 ATOM 227 O OD2 . ASP A 0 27 . -6.111 12.752 -7.250 1.00 75.66 27 A 1 ATOM 228 N N . TYR A 0 28 . -6.860 7.878 -4.932 1.00 69.98 28 A 1 ATOM 229 C CA . TYR A 0 28 . -7.729 6.729 -4.681 1.00 69.98 28 A 1 ATOM 230 C C . TYR A 0 28 . -7.547 6.184 -3.257 1.00 69.98 28 A 1 ATOM 231 C CB . TYR A 0 28 . -7.461 5.649 -5.736 1.00 69.98 28 A 1 ATOM 232 O O . TYR A 0 28 . -8.524 5.909 -2.557 1.00 69.98 28 A 1 ATOM 233 C CG . TYR A 0 28 . -8.458 4.509 -5.687 1.00 69.98 28 A 1 ATOM 234 C CD1 . TYR A 0 28 . -8.077 3.248 -5.193 1.00 69.98 28 A 1 ATOM 235 C CD2 . TYR A 0 28 . -9.774 4.718 -6.143 1.00 69.98 28 A 1 ATOM 236 C CE1 . TYR A 0 28 . -9.009 2.193 -5.167 1.00 69.98 28 A 1 ATOM 237 C CE2 . TYR A 0 28 . -10.716 3.674 -6.088 1.00 69.98 28 A 1 ATOM 238 O OH . TYR A 0 28 . -11.249 1.406 -5.532 1.00 69.98 28 A 1 ATOM 239 C CZ . TYR A 0 28 . -10.337 2.412 -5.592 1.00 69.98 28 A 1 ATOM 240 N N . LEU A 0 29 . -6.303 6.093 -2.786 1.00 68.54 29 A 1 ATOM 241 C CA . LEU A 0 29 . -5.966 5.659 -1.433 1.00 68.54 29 A 1 ATOM 242 C C . LEU A 0 29 . -6.480 6.641 -0.375 1.00 68.54 29 A 1 ATOM 243 C CB . LEU A 0 29 . -4.444 5.469 -1.335 1.00 68.54 29 A 1 ATOM 244 O O . LEU A 0 29 . -6.985 6.204 0.658 1.00 68.54 29 A 1 ATOM 245 C CG . LEU A 0 29 . -3.921 4.242 -2.107 1.00 68.54 29 A 1 ATOM 246 C CD1 . LEU A 0 29 . -2.393 4.271 -2.140 1.00 68.54 29 A 1 ATOM 247 C CD2 . LEU A 0 29 . -4.466 2.939 -1.515 1.00 68.54 29 A 1 ATOM 248 N N . GLU A 0 30 . -6.430 7.950 -0.618 1.00 72.38 30 A 1 ATOM 249 C CA . GLU A 0 30 . -7.034 8.950 0.264 1.00 72.38 30 A 1 ATOM 250 C C . GLU A 0 30 . -8.559 8.815 0.340 1.00 72.38 30 A 1 ATOM 251 C CB . GLU A 0 30 . -6.695 10.367 -0.204 1.00 72.38 30 A 1 ATOM 252 O O . GLU A 0 30 . -9.141 8.909 1.427 1.00 72.38 30 A 1 ATOM 253 C CG . GLU A 0 30 . -5.290 10.827 0.195 1.00 72.38 30 A 1 ATOM 254 C CD . GLU A 0 30 . -5.292 12.355 0.186 1.00 72.38 30 A 1 ATOM 255 O OE1 . GLU A 0 30 . -5.614 12.920 1.262 1.00 72.38 30 A 1 ATOM 256 O OE2 . GLU A 0 30 . -5.175 12.947 -0.899 1.00 72.38 30 A 1 ATOM 257 N N . GLN A 0 31 . -9.225 8.567 -0.790 1.00 72.28 31 A 1 ATOM 258 C CA . GLN A 0 31 . -10.667 8.308 -0.823 1.00 72.28 31 A 1 ATOM 259 C C . GLN A 0 31 . -11.032 7.033 -0.061 1.00 72.28 31 A 1 ATOM 260 C CB . GLN A 0 31 . -11.151 8.201 -2.272 1.00 72.28 31 A 1 ATOM 261 O O . GLN A 0 31 . -11.998 7.018 0.711 1.00 72.28 31 A 1 ATOM 262 C CG . GLN A 0 31 . -11.195 9.569 -2.955 1.00 72.28 31 A 1 ATOM 263 C CD . GLN A 0 31 . -11.611 9.427 -4.410 1.00 72.28 31 A 1 ATOM 264 N NE2 . GLN A 0 31 . -10.751 9.763 -5.343 1.00 72.28 31 A 1 ATOM 265 O OE1 . GLN A 0 31 . -12.718 9.013 -4.714 1.00 72.28 31 A 1 ATOM 266 N N . LEU A 0 32 . -10.232 5.980 -0.216 1.00 67.71 32 A 1 ATOM 267 C CA . LEU A 0 32 . -10.423 4.742 0.521 1.00 67.71 32 A 1 ATOM 268 C C . LEU A 0 32 . -10.145 4.918 2.019 1.00 67.71 32 A 1 ATOM 269 C CB . LEU A 0 32 . -9.542 3.643 -0.067 1.00 67.71 32 A 1 ATOM 270 O O . LEU A 0 32 . -10.940 4.451 2.827 1.00 67.71 32 A 1 ATOM 271 C CG . LEU A 0 32 . -9.932 3.068 -1.432 1.00 67.71 32 A 1 ATOM 272 C CD1 . LEU A 0 32 . -8.836 2.077 -1.826 1.00 67.71 32 A 1 ATOM 273 C CD2 . LEU A 0 32 . -11.260 2.308 -1.358 1.00 67.71 32 A 1 ATOM 274 N N . LYS A 0 33 . -9.099 5.654 2.422 1.00 67.06 33 A 1 ATOM 275 C CA . LYS A 0 33 . -8.834 5.993 3.835 1.00 67.06 33 A 1 ATOM 276 C C . LYS A 0 33 . -10.006 6.762 4.447 1.00 67.06 33 A 1 ATOM 277 C CB . LYS A 0 33 . -7.532 6.808 3.963 1.00 67.06 33 A 1 ATOM 278 O O . LYS A 0 33 . -10.466 6.425 5.536 1.00 67.06 33 A 1 ATOM 279 C CG . LYS A 0 33 . -6.265 5.939 3.889 1.00 67.06 33 A 1 ATOM 280 C CD . LYS A 0 33 . -4.992 6.804 3.912 1.00 67.06 33 A 1 ATOM 281 C CE . LYS A 0 33 . -3.729 5.930 3.827 1.00 67.06 33 A 1 ATOM 282 N NZ . LYS A 0 33 . -2.480 6.733 3.697 1.00 67.06 33 A 1 ATOM 283 N N . LYS A 0 34 . -10.549 7.751 3.729 1.00 69.50 34 A 1 ATOM 284 C CA . LYS A 0 34 . -11.758 8.484 4.152 1.00 69.50 34 A 1 ATOM 285 C C . LYS A 0 34 . -12.969 7.558 4.278 1.00 69.50 34 A 1 ATOM 286 C CB . LYS A 0 34 . -12.043 9.631 3.168 1.00 69.50 34 A 1 ATOM 287 O O . LYS A 0 34 . -13.784 7.761 5.177 1.00 69.50 34 A 1 ATOM 288 C CG . LYS A 0 34 . -11.048 10.790 3.339 1.00 69.50 34 A 1 ATOM 289 C CD . LYS A 0 34 . -11.149 11.816 2.199 1.00 69.50 34 A 1 ATOM 290 C CE . LYS A 0 34 . -10.001 12.830 2.336 1.00 69.50 34 A 1 ATOM 291 N NZ . LYS A 0 34 . -9.785 13.652 1.116 1.00 69.50 34 A 1 ATOM 292 N N . SER A 0 35 . -13.069 6.544 3.420 1.00 66.43 35 A 1 ATOM 293 C CA . SER A 0 35 . -14.114 5.520 3.494 1.00 66.43 35 A 1 ATOM 294 C C . SER A 0 35 . -13.913 4.600 4.705 1.00 66.43 35 A 1 ATOM 295 C CB . SER A 0 35 . -14.214 4.741 2.179 1.00 66.43 35 A 1 ATOM 296 O O . SER A 0 35 . -14.844 4.460 5.489 1.00 66.43 35 A 1 ATOM 297 O OG . SER A 0 35 . -14.481 5.645 1.122 1.00 66.43 35 A 1 ATOM 298 N N . CYS A 0 36 . -12.697 4.097 4.953 1.00 63.54 36 A 1 ATOM 299 C CA . CYS A 0 36 . -12.341 3.319 6.151 1.00 63.54 36 A 1 ATOM 300 C C . CYS A 0 36 . -12.699 4.057 7.457 1.00 63.54 36 A 1 ATOM 301 C CB . CYS A 0 36 . -10.832 2.994 6.129 1.00 63.54 36 A 1 ATOM 302 O O . CYS A 0 36 . -13.152 3.432 8.407 1.00 63.54 36 A 1 ATOM 303 S SG . CYS A 0 36 . -10.311 1.585 5.104 1.00 63.54 36 A 1 ATOM 304 N N . VAL A 0 37 . -12.542 5.387 7.507 1.00 62.77 37 A 1 ATOM 305 C CA . VAL A 0 37 . -12.877 6.200 8.695 1.00 62.77 37 A 1 ATOM 306 C C . VAL A 0 37 . -14.384 6.452 8.841 1.00 62.77 37 A 1 ATOM 307 C CB . VAL A 0 37 . -12.092 7.530 8.663 1.00 62.77 37 A 1 ATOM 308 O O . VAL A 0 37 . -14.871 6.638 9.955 1.00 62.77 37 A 1 ATOM 309 C CG1 . VAL A 0 37 . -12.458 8.496 9.799 1.00 62.77 37 A 1 ATOM 310 C CG2 . VAL A 0 37 . -10.583 7.276 8.783 1.00 62.77 37 A 1 ATOM 311 N N . ARG A 0 38 . -15.143 6.497 7.738 1.00 59.86 38 A 1 ATOM 312 C CA . ARG A 0 38 . -16.567 6.878 7.768 1.00 59.86 38 A 1 ATOM 313 C C . ARG A 0 38 . -17.527 5.735 8.008 1.00 59.86 38 A 1 ATOM 314 C CB . ARG A 0 38 . -16.976 7.606 6.487 1.00 59.86 38 A 1 ATOM 315 O O . ARG A 0 38 . -18.663 6.023 8.383 1.00 59.86 38 A 1 ATOM 316 C CG . ARG A 0 38 . -16.598 9.080 6.575 1.00 59.86 38 A 1 ATOM 317 C CD . ARG A 0 38 . -17.130 9.807 5.343 1.00 59.86 38 A 1 ATOM 318 N NE . ARG A 0 38 . -16.435 11.091 5.176 1.00 59.86 38 A 1 ATOM 319 N NH1 . ARG A 0 38 . -17.999 12.140 3.866 1.00 59.86 38 A 1 ATOM 320 N NH2 . ARG A 0 38 . -16.074 13.169 4.346 1.00 59.86 38 A 1 ATOM 321 C CZ . ARG A 0 38 . -16.842 12.123 4.466 1.00 59.86 38 A 1 ATOM 322 N N . VAL A 0 39 . -17.137 4.488 7.768 1.00 53.95 39 A 1 ATOM 323 C CA . VAL A 0 39 . -18.078 3.389 7.955 1.00 53.95 39 A 1 ATOM 324 C C . VAL A 0 39 . -17.915 2.787 9.357 1.00 53.95 39 A 1 ATOM 325 C CB . VAL A 0 39 . -18.046 2.349 6.826 1.00 53.95 39 A 1 ATOM 326 O O . VAL A 0 39 . -16.880 2.188 9.643 1.00 53.95 39 A 1 ATOM 327 C CG1 . VAL A 0 39 . -19.448 1.709 6.804 1.00 53.95 39 A 1 ATOM 328 C CG2 . VAL A 0 39 . -17.845 2.913 5.419 1.00 53.95 39 A 1 ATOM 329 N N . PRO A 0 40 . -18.916 2.911 10.252 1.00 47.24 40 A 1 ATOM 330 C CA . PRO A 0 40 . -18.930 2.171 11.506 1.00 47.24 40 A 1 ATOM 331 C C . PRO A 0 40 . -19.261 0.706 11.187 1.00 47.24 40 A 1 ATOM 332 C CB . PRO A 0 40 . -19.979 2.883 12.368 1.00 47.24 40 A 1 ATOM 333 O O . PRO A 0 40 . -20.423 0.303 11.226 1.00 47.24 40 A 1 ATOM 334 C CG . PRO A 0 40 . -20.989 3.408 11.347 1.00 47.24 40 A 1 ATOM 335 C CD . PRO A 0 40 . -20.129 3.712 10.122 1.00 47.24 40 A 1 ATOM 336 N N . ILE A 0 41 . -18.267 -0.086 10.777 1.00 49.49 41 A 1 ATOM 337 C CA . ILE A 0 41 . -18.499 -1.460 10.315 1.00 49.49 41 A 1 ATOM 338 C C . ILE A 0 41 . -18.268 -2.455 11.451 1.00 49.49 41 A 1 ATOM 339 C CB . ILE A 0 41 . -17.723 -1.812 9.022 1.00 49.49 41 A 1 ATOM 340 O O . ILE A 0 41 . -17.151 -2.671 11.904 1.00 49.49 41 A 1 ATOM 341 C CG1 . ILE A 0 41 . -18.156 -0.891 7.880 1.00 49.49 41 A 1 ATOM 342 C CG2 . ILE A 0 41 . -18.046 -3.260 8.652 1.00 49.49 41 A 1 ATOM 343 C CD1 . ILE A 0 41 . -17.440 -1.032 6.523 1.00 49.49 41 A 1 ATOM 344 N N . GLN A 0 42 . -19.349 -3.124 11.849 1.00 52.63 42 A 1 ATOM 345 C CA . GLN A 0 42 . -19.389 -4.293 12.738 1.00 52.63 42 A 1 ATOM 346 C C . GLN A 0 42 . -18.771 -5.575 12.127 1.00 52.63 42 A 1 ATOM 347 C CB . GLN A 0 42 . -20.857 -4.557 13.125 1.00 52.63 42 A 1 ATOM 348 O O . GLN A 0 42 . -19.128 -6.679 12.526 1.00 52.63 42 A 1 ATOM 349 C CG . GLN A 0 42 . -21.483 -3.492 14.029 1.00 52.63 42 A 1 ATOM 350 C CD . GLN A 0 42 . -22.915 -3.851 14.423 1.00 52.63 42 A 1 ATOM 351 N NE2 . GLN A 0 42 . -23.492 -3.157 15.378 1.00 52.63 42 A 1 ATOM 352 O OE1 . GLN A 0 42 . -23.560 -4.736 13.889 1.00 52.63 42 A 1 ATOM 353 N N . HIS A 0 43 . -17.878 -5.480 11.146 1.00 52.69 43 A 1 ATOM 354 C CA . HIS A 0 43 . -17.374 -6.635 10.401 1.00 52.69 43 A 1 ATOM 355 C C . HIS A 0 43 . -15.851 -6.599 10.294 1.00 52.69 43 A 1 ATOM 356 C CB . HIS A 0 43 . -18.039 -6.750 9.017 1.00 52.69 43 A 1 ATOM 357 O O . HIS A 0 43 . -15.277 -5.710 9.667 1.00 52.69 43 A 1 ATOM 358 C CG . HIS A 0 43 . -19.298 -7.568 9.009 1.00 52.69 43 A 1 ATOM 359 C CD2 . HIS A 0 43 . -20.585 -7.138 9.197 1.00 52.69 43 A 1 ATOM 360 N ND1 . HIS A 0 43 . -19.350 -8.913 8.736 1.00 52.69 43 A 1 ATOM 361 C CE1 . HIS A 0 43 . -20.637 -9.290 8.771 1.00 52.69 43 A 1 ATOM 362 N NE2 . HIS A 0 43 . -21.432 -8.241 9.041 1.00 52.69 43 A 1 ATOM 363 N N . TYR A 0 44 . -15.241 -7.637 10.863 1.00 52.24 44 A 1 ATOM 364 C CA . TYR A 0 44 . -13.834 -8.045 10.792 1.00 52.24 44 A 1 ATOM 365 C C . TYR A 0 44 . -13.200 -7.893 9.388 1.00 52.24 44 A 1 ATOM 366 C CB . TYR A 0 44 . -13.862 -9.517 11.239 1.00 52.24 44 A 1 ATOM 367 O O . TYR A 0 44 . -12.011 -7.614 9.261 1.00 52.24 44 A 1 ATOM 368 C CG . TYR A 0 44 . -12.551 -10.124 11.679 1.00 52.24 44 A 1 ATOM 369 C CD1 . TYR A 0 44 . -11.853 -10.991 10.819 1.00 52.24 44 A 1 ATOM 370 C CD2 . TYR A 0 44 . -12.069 -9.874 12.978 1.00 52.24 44 A 1 ATOM 371 C CE1 . TYR A 0 44 . -10.673 -11.617 11.261 1.00 52.24 44 A 1 ATOM 372 C CE2 . TYR A 0 44 . -10.886 -10.494 13.422 1.00 52.24 44 A 1 ATOM 373 O OH . TYR A 0 44 . -9.045 -11.968 12.984 1.00 52.24 44 A 1 ATOM 374 C CZ . TYR A 0 44 . -10.188 -11.368 12.561 1.00 52.24 44 A 1 ATOM 375 N N . ASP A 0 45 . -14.008 -7.985 8.326 1.00 60.09 45 A 1 ATOM 376 C CA . ASP A 0 45 . -13.593 -7.759 6.938 1.00 60.09 45 A 1 ATOM 377 C C . ASP A 0 45 . -13.075 -6.344 6.654 1.00 60.09 45 A 1 ATOM 378 C CB . ASP A 0 45 . -14.786 -8.042 6.018 1.00 60.09 45 A 1 ATOM 379 O O . ASP A 0 45 . -12.193 -6.171 5.819 1.00 60.09 45 A 1 ATOM 380 C CG . ASP A 0 45 . -15.046 -9.540 5.923 1.00 60.09 45 A 1 ATOM 381 O OD1 . ASP A 0 45 . -14.233 -10.214 5.257 1.00 60.09 45 A 1 ATOM 382 O OD2 . ASP A 0 45 . -16.032 -9.986 6.556 1.00 60.09 45 A 1 ATOM 383 N N . THR A 0 46 . -13.578 -5.314 7.339 1.00 58.03 46 A 1 ATOM 384 C CA . THR A 0 46 . -13.165 -3.929 7.043 1.00 58.03 46 A 1 ATOM 385 C C . THR A 0 46 . -11.784 -3.626 7.598 1.00 58.03 46 A 1 ATOM 386 C CB . THR A 0 46 . -14.167 -2.909 7.570 1.00 58.03 46 A 1 ATOM 387 O O . THR A 0 46 . -10.984 -2.991 6.921 1.00 58.03 46 A 1 ATOM 388 C CG2 . THR A 0 46 . -13.861 -1.480 7.114 1.00 58.03 46 A 1 ATOM 389 O OG1 . THR A 0 46 . -15.417 -3.274 7.050 1.00 58.03 46 A 1 ATOM 390 N N . GLU A 0 47 . -11.464 -4.111 8.798 1.00 59.48 47 A 1 ATOM 391 C CA . GLU A 0 47 . -10.118 -3.959 9.359 1.00 59.48 47 A 1 ATOM 392 C C . GLU A 0 47 . -9.084 -4.706 8.512 1.00 59.48 47 A 1 ATOM 393 C CB . GLU A 0 47 . -10.080 -4.461 10.808 1.00 59.48 47 A 1 ATOM 394 O O . GLU A 0 47 . -8.008 -4.166 8.244 1.00 59.48 47 A 1 ATOM 395 C CG . GLU A 0 47 . -10.938 -3.598 11.741 1.00 59.48 47 A 1 ATOM 396 C CD . GLU A 0 47 . -10.739 -4.010 13.204 1.00 59.48 47 A 1 ATOM 397 O OE1 . GLU A 0 47 . -10.260 -3.158 13.987 1.00 59.48 47 A 1 ATOM 398 O OE2 . GLU A 0 47 . -11.069 -5.174 13.528 1.00 59.48 47 A 1 ATOM 399 N N . LEU A 0 48 . -9.435 -5.901 8.019 1.00 63.52 48 A 1 ATOM 400 C CA . LEU A 0 48 . -8.598 -6.656 7.089 1.00 63.52 48 A 1 ATOM 401 C C . LEU A 0 48 . -8.397 -5.886 5.780 1.00 63.52 48 A 1 ATOM 402 C CB . LEU A 0 48 . -9.223 -8.039 6.841 1.00 63.52 48 A 1 ATOM 403 O O . LEU A 0 48 . -7.261 -5.729 5.345 1.00 63.52 48 A 1 ATOM 404 C CG . LEU A 0 48 . -8.300 -8.990 6.055 1.00 63.52 48 A 1 ATOM 405 C CD1 . LEU A 0 48 . -7.106 -9.447 6.899 1.00 63.52 48 A 1 ATOM 406 C CD2 . LEU A 0 48 . -9.079 -10.230 5.622 1.00 63.52 48 A 1 ATOM 407 N N . LEU A 0 49 . -9.467 -5.341 5.193 1.00 61.91 49 A 1 ATOM 408 C CA . LEU A 0 49 . -9.387 -4.524 3.982 1.00 61.91 49 A 1 ATOM 409 C C . LEU A 0 49 . -8.525 -3.277 4.194 1.00 61.91 49 A 1 ATOM 410 C CB . LEU A 0 49 . -10.801 -4.137 3.515 1.00 61.91 49 A 1 ATOM 411 O O . LEU A 0 49 . -7.643 -3.017 3.382 1.00 61.91 49 A 1 ATOM 412 C CG . LEU A 0 49 . -11.567 -5.283 2.829 1.00 61.91 49 A 1 ATOM 413 C CD1 . LEU A 0 49 . -13.045 -4.907 2.705 1.00 61.91 49 A 1 ATOM 414 C CD2 . LEU A 0 49 . -11.028 -5.564 1.424 1.00 61.91 49 A 1 ATOM 415 N N . CYS A 0 50 . -8.704 -2.539 5.292 1.00 63.12 50 A 1 ATOM 416 C CA . CYS A 0 50 . -7.895 -1.354 5.580 1.00 63.12 50 A 1 ATOM 417 C C . CYS A 0 50 . -6.424 -1.725 5.881 1.00 63.12 50 A 1 ATOM 418 C CB . CYS A 0 50 . -8.546 -0.536 6.710 1.00 63.12 50 A 1 ATOM 419 O O . CYS A 0 50 . -5.519 -0.974 5.517 1.00 63.12 50 A 1 ATOM 420 S SG . CYS A 0 50 . -10.267 0.012 6.418 1.00 63.12 50 A 1 ATOM 421 N N . SER A 0 51 . -6.149 -2.890 6.482 1.00 66.54 51 A 1 ATOM 422 C CA . SER A 0 51 . -4.785 -3.406 6.687 1.00 66.54 51 A 1 ATOM 423 C C . SER A 0 51 . -4.125 -3.827 5.369 1.00 66.54 51 A 1 ATOM 424 C CB . SER A 0 51 . -4.809 -4.582 7.670 1.00 66.54 51 A 1 ATOM 425 O O . SER A 0 51 . -3.022 -3.376 5.060 1.00 66.54 51 A 1 ATOM 426 O OG . SER A 0 51 . -3.490 -5.011 7.953 1.00 66.54 51 A 1 ATOM 427 N N . SER A 0 52 . -4.825 -4.609 4.543 1.00 66.21 52 A 1 ATOM 428 C CA . SER A 0 52 . -4.386 -4.975 3.195 1.00 66.21 52 A 1 ATOM 429 C C . SER A 0 52 . -4.165 -3.741 2.326 1.00 66.21 52 A 1 ATOM 430 C CB . SER A 0 52 . -5.421 -5.884 2.524 1.00 66.21 52 A 1 ATOM 431 O O . SER A 0 52 . -3.175 -3.675 1.602 1.00 66.21 52 A 1 ATOM 432 O OG . SER A 0 52 . -5.510 -7.125 3.194 1.00 66.21 52 A 1 ATOM 433 N N . MET A 0 53 . -5.027 -2.730 2.444 1.00 63.44 53 A 1 ATOM 434 C CA . MET A 0 53 . -4.848 -1.449 1.774 1.00 63.44 53 A 1 ATOM 435 C C . MET A 0 53 . -3.605 -0.711 2.261 1.00 63.44 53 A 1 ATOM 436 C CB . MET A 0 53 . -6.053 -0.547 2.006 1.00 63.44 53 A 1 ATOM 437 O O . MET A 0 53 . -2.884 -0.191 1.426 1.00 63.44 53 A 1 ATOM 438 C CG . MET A 0 53 . -7.268 -0.870 1.135 1.00 63.44 53 A 1 ATOM 439 S SD . MET A 0 53 . -8.769 0.018 1.645 1.00 63.44 53 A 1 ATOM 440 C CE . MET A 0 53 . -8.062 1.623 2.117 1.00 63.44 53 A 1 ATOM 441 N N . ASN A 0 54 . -3.315 -0.664 3.564 1.00 65.06 54 A 1 ATOM 442 C CA . ASN A 0 54 . -2.088 -0.030 4.063 1.00 65.06 54 A 1 ATOM 443 C C . ASN A 0 54 . -0.823 -0.733 3.547 1.00 65.06 54 A 1 ATOM 444 C CB . ASN A 0 54 . -2.108 0.015 5.598 1.00 65.06 54 A 1 ATOM 445 O O . ASN A 0 54 . 0.142 -0.060 3.195 1.00 65.06 54 A 1 ATOM 446 C CG . ASN A 0 54 . -2.967 1.135 6.156 1.00 65.06 54 A 1 ATOM 447 N ND2 . ASN A 0 54 . -3.594 0.909 7.285 1.00 65.06 54 A 1 ATOM 448 O OD1 . ASN A 0 54 . -3.061 2.233 5.626 1.00 65.06 54 A 1 ATOM 449 N N . ASN A 0 55 . -0.842 -2.063 3.435 1.00 67.43 55 A 1 ATOM 450 C CA . ASN A 0 55 . 0.256 -2.808 2.814 1.00 67.43 55 A 1 ATOM 451 C C . ASN A 0 55 . 0.382 -2.485 1.320 1.00 67.43 55 A 1 ATOM 452 C CB . ASN A 0 55 . 0.035 -4.312 3.028 1.00 67.43 55 A 1 ATOM 453 O O . ASN A 0 55 . 1.491 -2.321 0.820 1.00 67.43 55 A 1 ATOM 454 C CG . ASN A 0 55 . 0.197 -4.739 4.474 1.00 67.43 55 A 1 ATOM 455 N ND2 . ASN A 0 55 . -0.369 -5.864 4.842 1.00 67.43 55 A 1 ATOM 456 O OD1 . ASN A 0 55 . 0.833 -4.098 5.290 1.00 67.43 55 A 1 ATOM 457 N N . LEU A 0 56 . -0.748 -2.357 0.616 1.00 64.89 56 A 1 ATOM 458 C CA . LEU A 0 56 . -0.774 -1.955 -0.789 1.00 64.89 56 A 1 ATOM 459 C C . LEU A 0 56 . -0.214 -0.534 -0.955 1.00 64.89 56 A 1 ATOM 460 C CB . LEU A 0 56 . -2.212 -2.076 -1.328 1.00 64.89 56 A 1 ATOM 461 O O . LEU A 0 56 . 0.653 -0.329 -1.793 1.00 64.89 56 A 1 ATOM 462 C CG . LEU A 0 56 . -2.266 -2.176 -2.866 1.00 64.89 56 A 1 ATOM 463 C CD1 . LEU A 0 56 . -2.573 -3.608 -3.308 1.00 64.89 56 A 1 ATOM 464 C CD2 . LEU A 0 56 . -3.359 -1.269 -3.433 1.00 64.89 56 A 1 ATOM 465 N N . VAL A 0 57 . -0.643 0.417 -0.114 1.00 64.34 57 A 1 ATOM 466 C CA . VAL A 0 57 . -0.135 1.801 -0.073 1.00 64.34 57 A 1 ATOM 467 C C . VAL A 0 57 . 1.379 1.790 0.055 1.00 64.34 57 A 1 ATOM 468 C CB . VAL A 0 57 . -0.720 2.618 1.101 1.00 64.34 57 A 1 ATOM 469 O O . VAL A 0 57 . 2.031 2.409 -0.764 1.00 64.34 57 A 1 ATOM 470 C CG1 . VAL A 0 57 . -0.121 4.027 1.203 1.00 64.34 57 A 1 ATOM 471 C CG2 . VAL A 0 57 . -2.248 2.757 1.060 1.00 64.34 57 A 1 ATOM 472 N N . GLN A 0 58 . 1.940 1.050 1.014 1.00 65.37 58 A 1 ATOM 473 C CA . GLN A 0 58 . 3.393 0.978 1.192 1.00 65.37 58 A 1 ATOM 474 C C . GLN A 0 58 . 4.101 0.335 0.000 1.00 65.37 58 A 1 ATOM 475 C CB . GLN A 0 58 . 3.730 0.168 2.445 1.00 65.37 58 A 1 ATOM 476 O O . GLN A 0 58 . 5.156 0.807 -0.409 1.00 65.37 58 A 1 ATOM 477 C CG . GLN A 0 58 . 3.430 0.945 3.727 1.00 65.37 58 A 1 ATOM 478 C CD . GLN A 0 58 . 3.855 0.183 4.975 1.00 65.37 58 A 1 ATOM 479 N NE2 . GLN A 0 58 . 3.675 0.765 6.139 1.00 65.37 58 A 1 ATOM 480 O OE1 . GLN A 0 58 . 4.363 -0.927 4.957 1.00 65.37 58 A 1 ATOM 481 N N . PHE A 0 59 . 3.536 -0.737 -0.563 1.00 66.09 59 A 1 ATOM 482 C CA . PHE A 0 59 . 4.097 -1.380 -1.748 1.00 66.09 59 A 1 ATOM 483 C C . PHE A 0 59 . 4.166 -0.400 -2.916 1.00 66.09 59 A 1 ATOM 484 C CB . PHE A 0 59 . 3.259 -2.609 -2.122 1.00 66.09 59 A 1 ATOM 485 O O . PHE A 0 59 . 5.185 -0.324 -3.598 1.00 66.09 59 A 1 ATOM 486 C CG . PHE A 0 59 . 3.831 -3.376 -3.296 1.00 66.09 59 A 1 ATOM 487 C CD1 . PHE A 0 59 . 3.366 -3.137 -4.604 1.00 66.09 59 A 1 ATOM 488 C CD2 . PHE A 0 59 . 4.869 -4.301 -3.081 1.00 66.09 59 A 1 ATOM 489 C CE1 . PHE A 0 59 . 3.936 -3.825 -5.690 1.00 66.09 59 A 1 ATOM 490 C CE2 . PHE A 0 59 . 5.438 -4.989 -4.167 1.00 66.09 59 A 1 ATOM 491 C CZ . PHE A 0 59 . 4.971 -4.751 -5.471 1.00 66.09 59 A 1 ATOM 492 N N . ILE A 0 60 . 3.107 0.385 -3.109 1.00 63.71 60 A 1 ATOM 493 C CA . ILE A 0 60 . 3.079 1.345 -4.195 1.00 63.71 60 A 1 ATOM 494 C C . ILE A 0 60 . 3.904 2.585 -3.859 1.00 63.71 60 A 1 ATOM 495 C CB . ILE A 0 60 . 1.659 1.726 -4.629 1.00 63.71 60 A 1 ATOM 496 O O . ILE A 0 60 . 4.630 3.040 -4.717 1.00 63.71 60 A 1 ATOM 497 C CG1 . ILE A 0 60 . 0.723 0.519 -4.910 1.00 63.71 60 A 1 ATOM 498 C CG2 . ILE A 0 60 . 1.871 2.567 -5.908 1.00 63.71 60 A 1 ATOM 499 C CD1 . ILE A 0 60 . -0.734 0.765 -4.485 1.00 63.71 60 A 1 ATOM 500 N N . GLU A 0 61 . 3.891 3.111 -2.637 1.00 63.85 61 A 1 ATOM 501 C CA . GLU A 0 61 . 4.780 4.208 -2.233 1.00 63.85 61 A 1 ATOM 502 C C . GLU A 0 61 . 6.252 3.832 -2.423 1.00 63.85 61 A 1 ATOM 503 C CB . GLU A 0 61 . 4.545 4.596 -0.764 1.00 63.85 61 A 1 ATOM 504 O O . GLU A 0 61 . 7.037 4.684 -2.821 1.00 63.85 61 A 1 ATOM 505 C CG . GLU A 0 61 . 3.290 5.457 -0.555 1.00 63.85 61 A 1 ATOM 506 C CD . GLU A 0 61 . 3.089 5.855 0.920 1.00 63.85 61 A 1 ATOM 507 O OE1 . GLU A 0 61 . 2.588 6.975 1.171 1.00 63.85 61 A 1 ATOM 508 O OE2 . GLU A 0 61 . 3.410 5.045 1.823 1.00 63.85 61 A 1 ATOM 509 N N . ASN A 0 62 . 6.619 2.568 -2.192 1.00 65.42 62 A 1 ATOM 510 C CA . ASN A 0 62 . 7.960 2.061 -2.468 1.00 65.42 62 A 1 ATOM 511 C C . ASN A 0 62 . 8.217 1.906 -3.975 1.00 65.42 62 A 1 ATOM 512 C CB . ASN A 0 62 . 8.176 0.743 -1.712 1.00 65.42 62 A 1 ATOM 513 O O . ASN A 0 62 . 9.287 2.281 -4.428 1.00 65.42 62 A 1 ATOM 514 C CG . ASN A 0 62 . 8.256 0.908 -0.203 1.00 65.42 62 A 1 ATOM 515 N ND2 . ASN A 0 62 . 8.092 -0.171 0.528 1.00 65.42 62 A 1 ATOM 516 O OD1 . ASN A 0 62 . 8.495 1.968 0.357 1.00 65.42 62 A 1 ATOM 517 N N . GLY A 0 63 . 7.247 1.422 -4.760 1.00 63.58 63 A 1 ATOM 518 C CA . GLY A 0 63 . 7.369 1.342 -6.225 1.00 63.58 63 A 1 ATOM 519 C C . GLY A 0 63 . 7.329 2.705 -6.932 1.00 63.58 63 A 1 ATOM 520 O O . GLY A 0 63 . 7.933 2.879 -7.979 1.00 63.58 63 A 1 ATOM 521 N N . CYS A 0 64 . 6.653 3.685 -6.338 1.00 61.35 64 A 1 ATOM 522 C CA . CYS A 0 64 . 6.564 5.078 -6.774 1.00 61.35 64 A 1 ATOM 523 C C . CYS A 0 64 . 7.764 5.913 -6.326 1.00 61.35 64 A 1 ATOM 524 C CB . CYS A 0 64 . 5.296 5.697 -6.172 1.00 61.35 64 A 1 ATOM 525 O O . CYS A 0 64 . 7.974 7.003 -6.847 1.00 61.35 64 A 1 ATOM 526 S SG . CYS A 0 64 . 3.766 5.158 -6.951 1.00 61.35 64 A 1 ATOM 527 N N . LYS A 0 65 . 8.524 5.441 -5.332 1.00 60.17 65 A 1 ATOM 528 C CA . LYS A 0 65 . 9.764 6.076 -4.871 1.00 60.17 65 A 1 ATOM 529 C C . LYS A 0 65 . 11.000 5.631 -5.646 1.00 60.17 65 A 1 ATOM 530 C CB . LYS A 0 65 . 9.944 5.868 -3.361 1.00 60.17 65 A 1 ATOM 531 O O . LYS A 0 65 . 12.077 6.120 -5.329 1.00 60.17 65 A 1 ATOM 532 C CG . LYS A 0 65 . 9.278 7.008 -2.589 1.00 60.17 65 A 1 ATOM 533 C CD . LYS A 0 65 . 9.474 6.787 -1.092 1.00 60.17 65 A 1 ATOM 534 C CE . LYS A 0 65 . 9.026 8.038 -0.344 1.00 60.17 65 A 1 ATOM 535 N NZ . LYS A 0 65 . 9.165 7.830 1.112 1.00 60.17 65 A 1 ATOM 536 N N . ASP A 0 66 . 10.845 4.766 -6.644 1.00 50.37 66 A 1 ATOM 537 C CA . ASP A 0 66 . 11.969 4.171 -7.360 1.00 50.37 66 A 1 ATOM 538 C C . ASP A 0 66 . 11.807 4.298 -8.886 1.00 50.37 66 A 1 ATOM 539 C CB . ASP A 0 66 . 12.151 2.723 -6.859 1.00 50.37 66 A 1 ATOM 540 O O . ASP A 0 66 . 11.360 3.372 -9.564 1.00 50.37 66 A 1 ATOM 541 C CG . ASP A 0 66 . 13.598 2.440 -6.465 1.00 50.37 66 A 1 ATOM 542 O OD1 . ASP A 0 66 . 14.426 2.297 -7.390 1.00 50.37 66 A 1 ATOM 543 O OD2 . ASP A 0 66 . 13.843 2.332 -5.239 1.00 50.37 66 A 1 ATOM 544 N N . PRO A 0 67 . 12.164 5.450 -9.471 1.00 45.06 67 A 1 ATOM 545 C CA . PRO A 0 67 . 12.656 5.503 -10.829 1.00 45.06 67 A 1 ATOM 546 C C . PRO A 0 67 . 14.186 5.537 -10.763 1.00 45.06 67 A 1 ATOM 547 C CB . PRO A 0 67 . 12.025 6.774 -11.401 1.00 45.06 67 A 1 ATOM 548 O O . PRO A 0 67 . 14.766 6.612 -10.736 1.00 45.06 67 A 1 ATOM 549 C CG . PRO A 0 67 . 11.968 7.720 -10.194 1.00 45.06 67 A 1 ATOM 550 C CD . PRO A 0 67 . 12.000 6.803 -8.959 1.00 45.06 67 A 1 ATOM 551 N N . ALA A 0 68 . 14.833 4.372 -10.720 1.00 39.21 68 A 1 ATOM 552 C CA . ALA A 0 68 . 16.246 4.212 -11.074 1.00 39.21 68 A 1 ATOM 553 C C . ALA A 0 68 . 17.262 5.172 -10.400 1.00 39.21 68 A 1 ATOM 554 C CB . ALA A 0 68 . 16.326 4.283 -12.611 1.00 39.21 68 A 1 ATOM 555 O O . ALA A 0 68 . 17.597 6.216 -10.956 1.00 39.21 68 A 1 ATOM 556 N N . GLU A 0 69 . 17.884 4.733 -9.300 1.00 39.27 69 A 1 ATOM 557 C CA . GLU A 0 69 . 19.316 4.991 -9.029 1.00 39.27 69 A 1 ATOM 558 C C . GLU A 0 69 . 20.018 3.740 -8.481 1.00 39.27 69 A 1 ATOM 559 C CB . GLU A 0 69 . 19.561 6.226 -8.130 1.00 39.27 69 A 1 ATOM 560 O O . GLU A 0 69 . 19.472 3.088 -7.561 1.00 39.27 69 A 1 ATOM 561 C CG . GLU A 0 69 . 19.556 7.569 -8.893 1.00 39.27 69 A 1 ATOM 562 C CD . GLU A 0 69 . 20.243 8.712 -8.112 1.00 39.27 69 A 1 ATOM 563 O OE1 . GLU A 0 69 . 21.426 9.024 -8.410 1.00 39.27 69 A 1 ATOM 564 O OE2 . GLU A 0 69 . 19.601 9.313 -7.215 1.00 39.27 69 A 1 ATOM 565 O OXT . GLU A 0 69 . 21.100 3.427 -9.029 1.00 39.27 69 A 1 # _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.3.9 _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic # loop_ _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.details _pdbx_data_usage.url _pdbx_data_usage.name 1 license 'Data in this file is available under a CC-BY-4.0 license.' https://creativecommons.org/licenses/by/4.0/ CC-BY-4.0 2 disclaimer ;ALPHAFOLD DATA, COPYRIGHT (2021) DEEPMIND TECHNOLOGIES LIMITED. THE INFORMATION PROVIDED IS THEORETICAL MODELLING ONLY AND CAUTION SHOULD BE EXERCISED IN ITS USE. IT IS PROVIDED "AS-IS" WITHOUT ANY WARRANTY OF ANY KIND, WHETHER EXPRESSED OR IMPLIED. NO WARRANTY IS GIVEN THAT USE OF THE INFORMATION SHALL NOT INFRINGE THE RIGHTS OF ANY THIRD PARTY. DISCLAIMER: THE INFORMATION IS NOT INTENDED TO BE A SUBSTITUTE FOR PROFESSIONAL MEDICAL ADVICE, DIAGNOSIS, OR TREATMENT, AND DOES NOT CONSTITUTE MEDICAL OR OTHER PROFESSIONAL ADVICE. IT IS AVAILABLE FOR ACADEMIC AND COMMERCIAL PURPOSES, UNDER CC-BY 4.0 LICENCE. ; ? ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Jumper, John' 1 'Evans, Richard' 2 'Pritzel, Alexander' 3 'Green, Tim' 4 'Figurnov, Michael' 5 'Ronneberger, Olaf' 6 'Tunyasuvunakool, Kathryn' 7 'Bates, Russ' 8 'Zidek, Augustin' 9 'Potapenko, Anna' 10 'Bridgland, Alex' 11 'Meyer, Clemens' 12 'Kohl, Simon A. A.' 13 'Ballard, Andrew J.' 14 'Cowie, Andrew' 15 'Romera-Paredes, Bernardino' 16 'Nikolov, Stanislav' 17 'Jain, Rishub' 18 'Adler, Jonas' 19 'Back, Trevor' 20 'Petersen, Stig' 21 'Reiman, David' 22 'Clancy, Ellen' 23 'Zielinski, Michal' 24 'Steinegger, Martin' 25 'Pacholska, Michalina' 26 'Berghammer, Tamas' 27 'Silver, David' 28 'Vinyals, Oriol' 29 'Senior, Andrew W.' 30 'Kavukcuoglu, Koray' 31 'Kohli, Pushmeet' 32 'Hassabis, Demis' 33 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Jumper, John' 1 primary 'Evans, Richard' 2 primary 'Pritzel, Alexander' 3 primary 'Green, Tim' 4 primary 'Figurnov, Michael' 5 primary 'Ronneberger, Olaf' 6 primary 'Tunyasuvunakool, Kathryn' 7 primary 'Bates, Russ' 8 primary 'Zidek, Augustin' 9 primary 'Potapenko, Anna' 10 primary 'Bridgland, Alex' 11 primary 'Meyer, Clemens' 12 primary 'Kohl, Simon A. A.' 13 primary 'Ballard, Andrew J.' 14 primary 'Cowie, Andrew' 15 primary 'Romera-Paredes, Bernardino' 16 primary 'Nikolov, Stanislav' 17 primary 'Jain, Rishub' 18 primary 'Adler, Jonas' 19 primary 'Back, Trevor' 20 primary 'Petersen, Stig' 21 primary 'Reiman, David' 22 primary 'Clancy, Ellen' 23 primary 'Zielinski, Michal' 24 primary 'Steinegger, Martin' 25 primary 'Pacholska, Michalina' 26 primary 'Berghammer, Tamas' 27 primary 'Silver, David' 28 primary 'Vinyals, Oriol' 29 primary 'Senior, Andrew W.' 30 primary 'Kavukcuoglu, Koray' 31 primary 'Kohli, Pushmeet' 32 primary 'Hassabis, Demis' 33 # _citation.id primary _citation.title 'Highly accurate protein structure prediction with AlphaFold' _citation.journal_full Nature _citation.journal_volume 596 _citation.page_first 583 _citation.page_last 589 _citation.year 2021 _citation.journal_id_ASTM NATUAS _citation.country UK _citation.journal_id_ISSN 0028-0836 _citation.journal_id_CSD 0006 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 34265844 _citation.pdbx_database_id_DOI 10.1038/s41586-021-03819-2 # _ma_data.id 1 _ma_data.name Model _ma_data.content_type 'model coordinates' # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.entity_id 0 _ma_target_entity_instance.details . # _ma_target_entity.entity_id 0 _ma_target_entity.data_id 1 _ma_target_entity.origin . # _ma_model_list.ordinal_id 1 _ma_model_list.model_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_name 'Top ranked model' _ma_model_list.model_group_name 'AlphaFold Monomer v2.3.2 model' _ma_model_list.data_id 1 _ma_model_list.model_type 'Ab initio model' # _software.pdbx_ordinal 1 _software.name AlphaFold _software.version v2.3.2 _software.type package _software.description 'Structure prediction' _software.classification other _software.date ? # _ma_software_group.ordinal_id 1 _ma_software_group.group_id 1 _ma_software_group.software_id 1 # loop_ _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id _ma_protocol_step.method_type 1 1 1 'coevolution MSA' 2 1 2 'template search' 3 1 3 modeling # loop_ _ma_qa_metric.id _ma_qa_metric.name _ma_qa_metric.type _ma_qa_metric.mode _ma_qa_metric.software_group_id 1 pLDDT pLDDT global 1 2 pLDDT pLDDT local 1 # _ma_qa_metric_global.ordinal_id 1 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 60.70 # loop_ _atom_type.symbol C N O S #