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 GLU 0 3 TYR 0 4 PHE 0 5 LEU 0 6 THR 0 7 ALA 0 8 LEU 0 9 ASN 0 10 SER 0 11 GLY 0 12 ALA 0 13 PRO 0 14 PRO 0 15 HIS 0 16 GLY 0 17 GLY 0 18 ILE 0 19 ALA 0 20 LEU 0 21 GLY 0 22 LEU 0 23 ASP 0 24 LEU 0 25 LEU 0 26 ILE 0 27 ALA 0 28 ILE 0 29 PHE 0 30 VAL 0 31 ASN 0 32 ALA 0 33 LYS 0 34 SER 0 35 ILE 0 36 ARG 0 37 ASP 0 38 VAL 0 39 ILE 0 40 ALA 0 41 PHE 0 42 PRO 0 43 LYS 0 44 ALA 0 45 ALA 0 46 ASP 0 47 GLY 0 48 LYS 0 49 ASP 0 50 LEU 0 51 LEU 0 52 CYS 0 53 GLY 0 54 THR 0 55 PRO 0 56 THR 0 57 MET 0 58 VAL 0 59 ASP 0 60 ASP 0 61 GLU 0 62 ILE 0 63 LEU 0 64 SER 0 65 GLN 0 66 TYR 0 67 CYS 0 68 ILE 0 69 SER 0 70 VAL 0 71 SER 0 72 ASN 0 73 LEU 0 74 ASN 0 75 LYS 0 76 SER # 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 . 20.249 2.939 -8.739 1.00 72.55 1 A 1 ATOM 2 C CA . MET A 0 1 . 20.500 4.358 -9.073 1.00 72.55 1 A 1 ATOM 3 C C . MET A 0 1 . 20.985 4.519 -10.509 1.00 72.55 1 A 1 ATOM 4 C CB . MET A 0 1 . 21.461 5.025 -8.081 1.00 72.55 1 A 1 ATOM 5 O O . MET A 0 1 . 20.470 5.380 -11.200 1.00 72.55 1 A 1 ATOM 6 C CG . MET A 0 1 . 21.286 6.547 -8.075 1.00 72.55 1 A 1 ATOM 7 S SD . MET A 0 1 . 19.692 7.081 -7.395 1.00 72.55 1 A 1 ATOM 8 C CE . MET A 0 1 . 20.265 8.308 -6.184 1.00 72.55 1 A 1 ATOM 9 N N . GLU A 0 2 . 21.916 3.681 -10.979 1.00 89.25 2 A 1 ATOM 10 C CA . GLU A 0 2 . 22.463 3.737 -12.347 1.00 89.25 2 A 1 ATOM 11 C C . GLU A 0 2 . 21.387 3.747 -13.446 1.00 89.25 2 A 1 ATOM 12 C CB . GLU A 0 2 . 23.405 2.541 -12.503 1.00 89.25 2 A 1 ATOM 13 O O . GLU A 0 2 . 21.404 4.638 -14.284 1.00 89.25 2 A 1 ATOM 14 C CG . GLU A 0 2 . 24.266 2.606 -13.771 1.00 89.25 2 A 1 ATOM 15 C CD . GLU A 0 2 . 25.183 1.382 -13.901 1.00 89.25 2 A 1 ATOM 16 O OE1 . GLU A 0 2 . 25.861 1.292 -14.944 1.00 89.25 2 A 1 ATOM 17 O OE2 . GLU A 0 2 . 25.178 0.551 -12.962 1.00 89.25 2 A 1 ATOM 18 N N . TYR A 0 3 . 20.380 2.862 -13.379 1.00 92.49 3 A 1 ATOM 19 C CA . TYR A 0 3 . 19.271 2.856 -14.349 1.00 92.49 3 A 1 ATOM 20 C C . TYR A 0 3 . 18.541 4.208 -14.431 1.00 92.49 3 A 1 ATOM 21 C CB . TYR A 0 3 . 18.272 1.728 -14.014 1.00 92.49 3 A 1 ATOM 22 O O . TYR A 0 3 . 18.183 4.662 -15.515 1.00 92.49 3 A 1 ATOM 23 C CG . TYR A 0 3 . 17.359 1.987 -12.820 1.00 92.49 3 A 1 ATOM 24 C CD1 . TYR A 0 3 . 17.668 1.462 -11.549 1.00 92.49 3 A 1 ATOM 25 C CD2 . TYR A 0 3 . 16.188 2.755 -12.991 1.00 92.49 3 A 1 ATOM 26 C CE1 . TYR A 0 3 . 16.821 1.721 -10.450 1.00 92.49 3 A 1 ATOM 27 C CE2 . TYR A 0 3 . 15.360 3.044 -11.891 1.00 92.49 3 A 1 ATOM 28 O OH . TYR A 0 3 . 14.847 2.791 -9.573 1.00 92.49 3 A 1 ATOM 29 C CZ . TYR A 0 3 . 15.670 2.525 -10.621 1.00 92.49 3 A 1 ATOM 30 N N . PHE A 0 4 . 18.335 4.861 -13.283 1.00 93.23 4 A 1 ATOM 31 C CA . PHE A 0 4 . 17.629 6.133 -13.202 1.00 93.23 4 A 1 ATOM 32 C C . PHE A 0 4 . 18.484 7.254 -13.798 1.00 93.23 4 A 1 ATOM 33 C CB . PHE A 0 4 . 17.241 6.402 -11.741 1.00 93.23 4 A 1 ATOM 34 O O . PHE A 0 4 . 17.985 8.060 -14.576 1.00 93.23 4 A 1 ATOM 35 C CG . PHE A 0 4 . 16.468 7.689 -11.543 1.00 93.23 4 A 1 ATOM 36 C CD1 . PHE A 0 4 . 17.069 8.786 -10.896 1.00 93.23 4 A 1 ATOM 37 C CD2 . PHE A 0 4 . 15.149 7.796 -12.022 1.00 93.23 4 A 1 ATOM 38 C CE1 . PHE A 0 4 . 16.346 9.978 -10.717 1.00 93.23 4 A 1 ATOM 39 C CE2 . PHE A 0 4 . 14.435 8.996 -11.861 1.00 93.23 4 A 1 ATOM 40 C CZ . PHE A 0 4 . 15.033 10.087 -11.208 1.00 93.23 4 A 1 ATOM 41 N N . LEU A 0 5 . 19.790 7.259 -13.513 1.00 93.22 5 A 1 ATOM 42 C CA . LEU A 0 5 . 20.731 8.221 -14.092 1.00 93.22 5 A 1 ATOM 43 C C . LEU A 0 5 . 20.890 8.038 -15.608 1.00 93.22 5 A 1 ATOM 44 C CB . LEU A 0 5 . 22.089 8.111 -13.379 1.00 93.22 5 A 1 ATOM 45 O O . LEU A 0 5 . 20.915 9.028 -16.332 1.00 93.22 5 A 1 ATOM 46 C CG . LEU A 0 5 . 22.067 8.518 -11.895 1.00 93.22 5 A 1 ATOM 47 C CD1 . LEU A 0 5 . 23.444 8.270 -11.280 1.00 93.22 5 A 1 ATOM 48 C CD2 . LEU A 0 5 . 21.707 9.992 -11.694 1.00 93.22 5 A 1 ATOM 49 N N . THR A 0 6 . 20.937 6.801 -16.110 1.00 94.39 6 A 1 ATOM 50 C CA . THR A 0 6 . 20.968 6.525 -17.555 1.00 94.39 6 A 1 ATOM 51 C C . THR A 0 6 . 19.706 7.033 -18.247 1.00 94.39 6 A 1 ATOM 52 C CB . THR A 0 6 . 21.157 5.025 -17.823 1.00 94.39 6 A 1 ATOM 53 O O . THR A 0 6 . 19.800 7.670 -19.298 1.00 94.39 6 A 1 ATOM 54 C CG2 . THR A 0 6 . 21.217 4.683 -19.312 1.00 94.39 6 A 1 ATOM 55 O OG1 . THR A 0 6 . 22.387 4.632 -17.266 1.00 94.39 6 A 1 ATOM 56 N N . ALA A 0 7 . 18.531 6.815 -17.647 1.00 92.11 7 A 1 ATOM 57 C CA . ALA A 0 7 . 17.275 7.346 -18.170 1.00 92.11 7 A 1 ATOM 58 C C . ALA A 0 7 . 17.276 8.885 -18.209 1.00 92.11 7 A 1 ATOM 59 C CB . ALA A 0 7 . 16.118 6.794 -17.330 1.00 92.11 7 A 1 ATOM 60 O O . ALA A 0 7 . 16.896 9.466 -19.223 1.00 92.11 7 A 1 ATOM 61 N N . LEU A 0 8 . 17.770 9.546 -17.155 1.00 91.66 8 A 1 ATOM 62 C CA . LEU A 0 8 . 17.888 11.008 -17.120 1.00 91.66 8 A 1 ATOM 63 C C . LEU A 0 8 . 18.878 11.547 -18.170 1.00 91.66 8 A 1 ATOM 64 C CB . LEU A 0 8 . 18.274 11.465 -15.702 1.00 91.66 8 A 1 ATOM 65 O O . LEU A 0 8 . 18.570 12.515 -18.865 1.00 91.66 8 A 1 ATOM 66 C CG . LEU A 0 8 . 17.162 11.332 -14.643 1.00 91.66 8 A 1 ATOM 67 C CD1 . LEU A 0 8 . 17.742 11.729 -13.285 1.00 91.66 8 A 1 ATOM 68 C CD2 . LEU A 0 8 . 15.958 12.234 -14.925 1.00 91.66 8 A 1 ATOM 69 N N . ASN A 0 9 . 20.032 10.893 -18.342 1.00 90.90 9 A 1 ATOM 70 C CA . ASN A 0 9 . 21.063 11.278 -19.316 1.00 90.90 9 A 1 ATOM 71 C C . ASN A 0 9 . 20.658 11.027 -20.778 1.00 90.90 9 A 1 ATOM 72 C CB . ASN A 0 9 . 22.366 10.531 -18.984 1.00 90.90 9 A 1 ATOM 73 O O . ASN A 0 9 . 21.281 11.571 -21.686 1.00 90.90 9 A 1 ATOM 74 C CG . ASN A 0 9 . 23.068 11.067 -17.751 1.00 90.90 9 A 1 ATOM 75 N ND2 . ASN A 0 9 . 23.843 10.246 -17.081 1.00 90.90 9 A 1 ATOM 76 O OD1 . ASN A 0 9 . 22.973 12.223 -17.383 1.00 90.90 9 A 1 ATOM 77 N N . SER A 0 10 . 19.602 10.247 -21.022 1.00 91.55 10 A 1 ATOM 78 C CA . SER A 0 10 . 19.081 9.958 -22.367 1.00 91.55 10 A 1 ATOM 79 C C . SER A 0 10 . 18.188 11.079 -22.929 1.00 91.55 10 A 1 ATOM 80 C CB . SER A 0 10 . 18.373 8.599 -22.384 1.00 91.55 10 A 1 ATOM 81 O O . SER A 0 10 . 17.379 10.841 -23.822 1.00 91.55 10 A 1 ATOM 82 O OG . SER A 0 10 . 19.267 7.569 -21.996 1.00 91.55 10 A 1 ATOM 83 N N . GLY A 0 11 . 18.328 12.306 -22.414 1.00 86.83 11 A 1 ATOM 84 C CA . GLY A 0 11 . 17.576 13.479 -22.865 1.00 86.83 11 A 1 ATOM 85 C C . GLY A 0 11 . 16.229 13.667 -22.167 1.00 86.83 11 A 1 ATOM 86 O O . GLY A 0 11 . 15.284 14.143 -22.797 1.00 86.83 11 A 1 ATOM 87 N N . ALA A 0 12 . 16.115 13.296 -20.886 1.00 88.94 12 A 1 ATOM 88 C CA . ALA A 0 12 . 14.889 13.540 -20.132 1.00 88.94 12 A 1 ATOM 89 C C . ALA A 0 12 . 14.588 15.058 -20.064 1.00 88.94 12 A 1 ATOM 90 C CB . ALA A 0 12 . 15.001 12.910 -18.742 1.00 88.94 12 A 1 ATOM 91 O O . ALA A 0 12 . 15.468 15.839 -19.689 1.00 88.94 12 A 1 ATOM 92 N N . PRO A 0 13 . 13.370 15.502 -20.434 1.00 89.98 13 A 1 ATOM 93 C CA . PRO A 0 13 . 13.004 16.915 -20.419 1.00 89.98 13 A 1 ATOM 94 C C . PRO A 0 13 . 12.874 17.443 -18.980 1.00 89.98 13 A 1 ATOM 95 C CB . PRO A 0 13 . 11.676 16.987 -21.183 1.00 89.98 13 A 1 ATOM 96 O O . PRO A 0 13 . 12.729 16.652 -18.045 1.00 89.98 13 A 1 ATOM 97 C CG . PRO A 0 13 . 11.040 15.627 -20.903 1.00 89.98 13 A 1 ATOM 98 C CD . PRO A 0 13 . 12.244 14.690 -20.871 1.00 89.98 13 A 1 ATOM 99 N N . PRO A 0 14 . 12.860 18.776 -18.777 1.00 89.98 14 A 1 ATOM 100 C CA . PRO A 0 14 . 12.529 19.358 -17.481 1.00 89.98 14 A 1 ATOM 101 C C . PRO A 0 14 . 11.105 18.950 -17.082 1.00 89.98 14 A 1 ATOM 102 C CB . PRO A 0 14 . 12.693 20.872 -17.656 1.00 89.98 14 A 1 ATOM 103 O O . PRO A 0 14 . 10.120 19.503 -17.568 1.00 89.98 14 A 1 ATOM 104 C CG . PRO A 0 14 . 12.451 21.089 -19.150 1.00 89.98 14 A 1 ATOM 105 C CD . PRO A 0 14 . 13.025 19.820 -19.778 1.00 89.98 14 A 1 ATOM 106 N N . HIS A 0 15 . 11.005 17.955 -16.206 1.00 90.66 15 A 1 ATOM 107 C CA . HIS A 0 15 . 9.749 17.461 -15.661 1.00 90.66 15 A 1 ATOM 108 C C . HIS A 0 15 . 9.644 17.786 -14.169 1.00 90.66 15 A 1 ATOM 109 C CB . HIS A 0 15 . 9.581 15.964 -15.979 1.00 90.66 15 A 1 ATOM 110 O O . HIS A 0 15 . 10.626 17.752 -13.423 1.00 90.66 15 A 1 ATOM 111 C CG . HIS A 0 15 . 10.653 15.051 -15.430 1.00 90.66 15 A 1 ATOM 112 C CD2 . HIS A 0 15 . 10.940 13.784 -15.862 1.00 90.66 15 A 1 ATOM 113 N ND1 . HIS A 0 15 . 11.521 15.322 -14.396 1.00 90.66 15 A 1 ATOM 114 C CE1 . HIS A 0 15 . 12.313 14.256 -14.215 1.00 90.66 15 A 1 ATOM 115 N NE2 . HIS A 0 15 . 11.986 13.284 -15.078 1.00 90.66 15 A 1 ATOM 116 N N . GLY A 0 16 . 8.429 18.074 -13.728 1.00 92.28 16 A 1 ATOM 117 C CA . GLY A 0 16 . 8.073 18.226 -12.327 1.00 92.28 16 A 1 ATOM 118 C C . GLY A 0 16 . 6.685 17.644 -12.115 1.00 92.28 16 A 1 ATOM 119 O O . GLY A 0 16 . 5.859 17.656 -13.027 1.00 92.28 16 A 1 ATOM 120 N N . GLY A 0 17 . 6.438 17.111 -10.926 1.00 93.89 17 A 1 ATOM 121 C CA . GLY A 0 17 . 5.150 16.546 -10.553 1.00 93.89 17 A 1 ATOM 122 C C . GLY A 0 17 . 4.802 16.903 -9.119 1.00 93.89 17 A 1 ATOM 123 O O . GLY A 0 17 . 5.673 17.241 -8.319 1.00 93.89 17 A 1 ATOM 124 N N . ILE A 0 18 . 3.517 16.815 -8.802 1.00 96.44 18 A 1 ATOM 125 C CA . ILE A 0 18 . 3.003 16.928 -7.442 1.00 96.44 18 A 1 ATOM 126 C C . ILE A 0 18 . 2.112 15.721 -7.162 1.00 96.44 18 A 1 ATOM 127 C CB . ILE A 0 18 . 2.304 18.290 -7.223 1.00 96.44 18 A 1 ATOM 128 O O . ILE A 0 18 . 1.372 15.274 -8.037 1.00 96.44 18 A 1 ATOM 129 C CG1 . ILE A 0 18 . 1.964 18.473 -5.728 1.00 96.44 18 A 1 ATOM 130 C CG2 . ILE A 0 18 . 1.061 18.469 -8.117 1.00 96.44 18 A 1 ATOM 131 C CD1 . ILE A 0 18 . 1.511 19.891 -5.363 1.00 96.44 18 A 1 ATOM 132 N N . ALA A 0 19 . 2.188 15.196 -5.942 1.00 96.37 19 A 1 ATOM 133 C CA . ALA A 0 19 . 1.282 14.175 -5.438 1.00 96.37 19 A 1 ATOM 134 C C . ALA A 0 19 . 0.501 14.764 -4.262 1.00 96.37 19 A 1 ATOM 135 C CB . ALA A 0 19 . 2.082 12.927 -5.055 1.00 96.37 19 A 1 ATOM 136 O O . ALA A 0 19 . 1.092 15.306 -3.327 1.00 96.37 19 A 1 ATOM 137 N N . LEU A 0 20 . -0.826 14.678 -4.322 1.00 95.18 20 A 1 ATOM 138 C CA . LEU A 0 20 . -1.698 15.134 -3.245 1.00 95.18 20 A 1 ATOM 139 C C . LEU A 0 20 . -2.029 13.959 -2.325 1.00 95.18 20 A 1 ATOM 140 C CB . LEU A 0 20 . -2.968 15.784 -3.822 1.00 95.18 20 A 1 ATOM 141 O O . LEU A 0 20 . -2.434 12.896 -2.793 1.00 95.18 20 A 1 ATOM 142 C CG . LEU A 0 20 . -2.721 17.032 -4.693 1.00 95.18 20 A 1 ATOM 143 C CD1 . LEU A 0 20 . -4.055 17.539 -5.238 1.00 95.18 20 A 1 ATOM 144 C CD2 . LEU A 0 20 . -2.058 18.171 -3.913 1.00 95.18 20 A 1 ATOM 145 N N . GLY A 0 21 . -1.896 14.167 -1.015 1.00 95.95 21 A 1 ATOM 146 C CA . GLY A 0 21 . -2.382 13.223 -0.010 1.00 95.95 21 A 1 ATOM 147 C C . GLY A 0 21 . -3.906 13.269 0.062 1.00 95.95 21 A 1 ATOM 148 O O . GLY A 0 21 . -4.455 14.076 0.811 1.00 95.95 21 A 1 ATOM 149 N N . LEU A 0 22 . -4.577 12.437 -0.739 1.00 96.83 22 A 1 ATOM 150 C CA . LEU A 0 22 . -6.034 12.449 -0.896 1.00 96.83 22 A 1 ATOM 151 C C . LEU A 0 22 . -6.770 12.246 0.432 1.00 96.83 22 A 1 ATOM 152 C CB . LEU A 0 22 . -6.432 11.372 -1.922 1.00 96.83 22 A 1 ATOM 153 O O . LEU A 0 22 . -7.693 12.999 0.729 1.00 96.83 22 A 1 ATOM 154 C CG . LEU A 0 22 . -7.951 11.267 -2.167 1.00 96.83 22 A 1 ATOM 155 C CD1 . LEU A 0 22 . -8.537 12.567 -2.728 1.00 96.83 22 A 1 ATOM 156 C CD2 . LEU A 0 22 . -8.233 10.141 -3.160 1.00 96.83 22 A 1 ATOM 157 N N . ASP A 0 23 . -6.341 11.287 1.251 1.00 96.82 23 A 1 ATOM 158 C CA . ASP A 0 23 . -6.981 11.001 2.541 1.00 96.82 23 A 1 ATOM 159 C C . ASP A 0 23 . -6.934 12.224 3.461 1.00 96.82 23 A 1 ATOM 160 C CB . ASP A 0 23 . -6.276 9.818 3.218 1.00 96.82 23 A 1 ATOM 161 O O . ASP A 0 23 . -7.923 12.591 4.090 1.00 96.82 23 A 1 ATOM 162 C CG . ASP A 0 23 . -6.085 8.657 2.247 1.00 96.82 23 A 1 ATOM 163 O OD1 . ASP A 0 23 . -7.052 7.893 2.053 1.00 96.82 23 A 1 ATOM 164 O OD2 . ASP A 0 23 . -4.982 8.609 1.656 1.00 96.82 23 A 1 ATOM 165 N N . LEU A 0 24 . -5.796 12.923 3.487 1.00 96.70 24 A 1 ATOM 166 C CA . LEU A 0 24 . -5.666 14.151 4.262 1.00 96.70 24 A 1 ATOM 167 C C . LEU A 0 24 . -6.551 15.268 3.698 1.00 96.70 24 A 1 ATOM 168 C CB . LEU A 0 24 . -4.187 14.559 4.329 1.00 96.70 24 A 1 ATOM 169 O O . LEU A 0 24 . -7.199 15.977 4.466 1.00 96.70 24 A 1 ATOM 170 C CG . LEU A 0 24 . -3.944 15.815 5.184 1.00 96.70 24 A 1 ATOM 171 C CD1 . LEU A 0 24 . -4.390 15.628 6.637 1.00 96.70 24 A 1 ATOM 172 C CD2 . LEU A 0 24 . -2.453 16.151 5.177 1.00 96.70 24 A 1 ATOM 173 N N . LEU A 0 25 . -6.608 15.414 2.372 1.00 97.37 25 A 1 ATOM 174 C CA . LEU A 0 25 . -7.461 16.409 1.722 1.00 97.37 25 A 1 ATOM 175 C C . LEU A 0 25 . -8.939 16.198 2.083 1.00 97.37 25 A 1 ATOM 176 C CB . LEU A 0 25 . -7.232 16.343 0.200 1.00 97.37 25 A 1 ATOM 177 O O . LEU A 0 25 . -9.625 17.147 2.462 1.00 97.37 25 A 1 ATOM 178 C CG . LEU A 0 25 . -8.008 17.409 -0.592 1.00 97.37 25 A 1 ATOM 179 C CD1 . LEU A 0 25 . -7.500 18.821 -0.291 1.00 97.37 25 A 1 ATOM 180 C CD2 . LEU A 0 25 . -7.848 17.147 -2.090 1.00 97.37 25 A 1 ATOM 181 N N . ILE A 0 26 . -9.414 14.952 2.020 1.00 97.79 26 A 1 ATOM 182 C CA . ILE A 0 26 . -10.794 14.604 2.371 1.00 97.79 26 A 1 ATOM 183 C C . ILE A 0 26 . -11.035 14.835 3.863 1.00 97.79 26 A 1 ATOM 184 C CB . ILE A 0 26 . -11.126 13.157 1.945 1.00 97.79 26 A 1 ATOM 185 O O . ILE A 0 26 . -12.041 15.450 4.214 1.00 97.79 26 A 1 ATOM 186 C CG1 . ILE A 0 26 . -11.045 13.019 0.406 1.00 97.79 26 A 1 ATOM 187 C CG2 . ILE A 0 26 . -12.543 12.759 2.406 1.00 97.79 26 A 1 ATOM 188 C CD1 . ILE A 0 26 . -11.145 11.571 -0.087 1.00 97.79 26 A 1 ATOM 189 N N . ALA A 0 27 . -10.113 14.417 4.737 1.00 97.87 27 A 1 ATOM 190 C CA . ALA A 0 27 . -10.230 14.632 6.179 1.00 97.87 27 A 1 ATOM 191 C C . ALA A 0 27 . -10.394 16.118 6.531 1.00 97.87 27 A 1 ATOM 192 C CB . ALA A 0 27 . -9.013 14.014 6.876 1.00 97.87 27 A 1 ATOM 193 O O . ALA A 0 27 . -11.219 16.456 7.377 1.00 97.87 27 A 1 ATOM 194 N N . ILE A 0 28 . -9.680 17.009 5.836 1.00 97.50 28 A 1 ATOM 195 C CA . ILE A 0 28 . -9.843 18.460 5.991 1.00 97.50 28 A 1 ATOM 196 C C . ILE A 0 28 . -11.231 18.909 5.514 1.00 97.50 28 A 1 ATOM 197 C CB . ILE A 0 28 . -8.702 19.208 5.263 1.00 97.50 28 A 1 ATOM 198 O O . ILE A 0 28 . -11.906 19.645 6.232 1.00 97.50 28 A 1 ATOM 199 C CG1 . ILE A 0 28 . -7.348 18.930 5.959 1.00 97.50 28 A 1 ATOM 200 C CG2 . ILE A 0 28 . -8.964 20.727 5.227 1.00 97.50 28 A 1 ATOM 201 C CD1 . ILE A 0 28 . -6.132 19.315 5.108 1.00 97.50 28 A 1 ATOM 202 N N . PHE A 0 29 . -11.687 18.457 4.341 1.00 97.54 29 A 1 ATOM 203 C CA . PHE A 0 29 . -12.996 18.840 3.792 1.00 97.54 29 A 1 ATOM 204 C C . PHE A 0 29 . -14.176 18.431 4.672 1.00 97.54 29 A 1 ATOM 205 C CB . PHE A 0 29 . -13.172 18.248 2.385 1.00 97.54 29 A 1 ATOM 206 O O . PHE A 0 29 . -15.159 19.167 4.745 1.00 97.54 29 A 1 ATOM 207 C CG . PHE A 0 29 . -12.373 18.883 1.261 1.00 97.54 29 A 1 ATOM 208 C CD1 . PHE A 0 29 . -11.664 20.093 1.430 1.00 97.54 29 A 1 ATOM 209 C CD2 . PHE A 0 29 . -12.396 18.270 -0.006 1.00 97.54 29 A 1 ATOM 210 C CE1 . PHE A 0 29 . -10.997 20.681 0.343 1.00 97.54 29 A 1 ATOM 211 C CE2 . PHE A 0 29 . -11.725 18.858 -1.092 1.00 97.54 29 A 1 ATOM 212 C CZ . PHE A 0 29 . -11.030 20.067 -0.919 1.00 97.54 29 A 1 ATOM 213 N N . VAL A 0 30 . -14.081 17.291 5.355 1.00 97.49 30 A 1 ATOM 214 C CA . VAL A 0 30 . -15.136 16.813 6.262 1.00 97.49 30 A 1 ATOM 215 C C . VAL A 0 30 . -14.883 17.166 7.732 1.00 97.49 30 A 1 ATOM 216 C CB . VAL A 0 30 . -15.439 15.317 6.059 1.00 97.49 30 A 1 ATOM 217 O O . VAL A 0 30 . -15.662 16.764 8.593 1.00 97.49 30 A 1 ATOM 218 C CG1 . VAL A 0 30 . -15.754 15.000 4.590 1.00 97.49 30 A 1 ATOM 219 C CG2 . VAL A 0 30 . -14.316 14.396 6.539 1.00 97.49 30 A 1 ATOM 220 N N . ASN A 0 31 . -13.811 17.910 8.033 1.00 97.32 31 A 1 ATOM 221 C CA . ASN A 0 31 . -13.366 18.234 9.393 1.00 97.32 31 A 1 ATOM 222 C C . ASN A 0 31 . -13.230 16.987 10.300 1.00 97.32 31 A 1 ATOM 223 C CB . ASN A 0 31 . -14.267 19.347 9.954 1.00 97.32 31 A 1 ATOM 224 O O . ASN A 0 31 . -13.629 16.985 11.469 1.00 97.32 31 A 1 ATOM 225 C CG . ASN A 0 31 . -13.679 20.055 11.160 1.00 97.32 31 A 1 ATOM 226 N ND2 . ASN A 0 31 . -14.492 20.803 11.870 1.00 97.32 31 A 1 ATOM 227 O OD1 . ASN A 0 31 . -12.500 20.012 11.464 1.00 97.32 31 A 1 ATOM 228 N N . ALA A 0 32 . -12.695 15.900 9.739 1.00 97.17 32 A 1 ATOM 229 C CA . ALA A 0 32 . -12.413 14.669 10.466 1.00 97.17 32 A 1 ATOM 230 C C . ALA A 0 32 . -11.243 14.858 11.440 1.00 97.17 32 A 1 ATOM 231 C CB . ALA A 0 32 . -12.123 13.534 9.481 1.00 97.17 32 A 1 ATOM 232 O O . ALA A 0 32 . -10.284 15.581 11.166 1.00 97.17 32 A 1 ATOM 233 N N . LYS A 0 33 . -11.287 14.153 12.576 1.00 95.73 33 A 1 ATOM 234 C CA . LYS A 0 33 . -10.216 14.198 13.587 1.00 95.73 33 A 1 ATOM 235 C C . LYS A 0 33 . -9.047 13.283 13.230 1.00 95.73 33 A 1 ATOM 236 C CB . LYS A 0 33 . -10.781 13.838 14.965 1.00 95.73 33 A 1 ATOM 237 O O . LYS A 0 33 . -7.944 13.469 13.743 1.00 95.73 33 A 1 ATOM 238 C CG . LYS A 0 33 . -11.758 14.903 15.479 1.00 95.73 33 A 1 ATOM 239 C CD . LYS A 0 33 . -12.239 14.537 16.886 1.00 95.73 33 A 1 ATOM 240 C CE . LYS A 0 33 . -13.208 15.609 17.390 1.00 95.73 33 A 1 ATOM 241 N NZ . LYS A 0 33 . -13.716 15.282 18.744 1.00 95.73 33 A 1 ATOM 242 N N . SER A 0 34 . -9.280 12.281 12.384 1.00 94.81 34 A 1 ATOM 243 C CA . SER A 0 34 . -8.263 11.348 11.912 1.00 94.81 34 A 1 ATOM 244 C C . SER A 0 34 . -8.473 11.013 10.438 1.00 94.81 34 A 1 ATOM 245 C CB . SER A 0 34 . -8.342 10.067 12.750 1.00 94.81 34 A 1 ATOM 246 O O . SER A 0 34 . -9.604 10.864 9.990 1.00 94.81 34 A 1 ATOM 247 O OG . SER A 0 34 . -7.208 9.241 12.515 1.00 94.81 34 A 1 ATOM 248 N N . ILE A 0 35 . -7.384 10.768 9.700 1.00 95.66 35 A 1 ATOM 249 C CA . ILE A 0 35 . -7.464 10.194 8.343 1.00 95.66 35 A 1 ATOM 250 C C . ILE A 0 35 . -8.157 8.824 8.334 1.00 95.66 35 A 1 ATOM 251 C CB . ILE A 0 35 . -6.072 10.083 7.683 1.00 95.66 35 A 1 ATOM 252 O O . ILE A 0 35 . -8.711 8.411 7.324 1.00 95.66 35 A 1 ATOM 253 C CG1 . ILE A 0 35 . -5.121 9.152 8.475 1.00 95.66 35 A 1 ATOM 254 C CG2 . ILE A 0 35 . -5.476 11.489 7.487 1.00 95.66 35 A 1 ATOM 255 C CD1 . ILE A 0 35 . -3.818 8.833 7.737 1.00 95.66 35 A 1 ATOM 256 N N . ARG A 0 36 . -8.171 8.120 9.476 1.00 94.87 36 A 1 ATOM 257 C CA . ARG A 0 36 . -8.885 6.848 9.617 1.00 94.87 36 A 1 ATOM 258 C C . ARG A 0 36 . -10.399 7.006 9.478 1.00 94.87 36 A 1 ATOM 259 C CB . ARG A 0 36 . -8.540 6.190 10.958 1.00 94.87 36 A 1 ATOM 260 O O . ARG A 0 36 . -11.049 6.043 9.104 1.00 94.87 36 A 1 ATOM 261 C CG . ARG A 0 36 . -7.057 5.796 11.044 1.00 94.87 36 A 1 ATOM 262 C CD . ARG A 0 36 . -6.776 4.983 12.310 1.00 94.87 36 A 1 ATOM 263 N NE . ARG A 0 36 . -6.934 5.810 13.523 1.00 94.87 36 A 1 ATOM 264 N NH1 . ARG A 0 36 . -6.929 4.097 15.044 1.00 94.87 36 A 1 ATOM 265 N NH2 . ARG A 0 36 . -7.111 6.211 15.752 1.00 94.87 36 A 1 ATOM 266 C CZ . ARG A 0 36 . -6.988 5.370 14.764 1.00 94.87 36 A 1 ATOM 267 N N . ASP A 0 37 . -10.937 8.200 9.726 1.00 95.54 37 A 1 ATOM 268 C CA . ASP A 0 37 . -12.375 8.479 9.625 1.00 95.54 37 A 1 ATOM 269 C C . ASP A 0 37 . -12.830 8.660 8.164 1.00 95.54 37 A 1 ATOM 270 C CB . ASP A 0 37 . -12.734 9.732 10.447 1.00 95.54 37 A 1 ATOM 271 O O . ASP A 0 37 . -14.028 8.699 7.892 1.00 95.54 37 A 1 ATOM 272 C CG . ASP A 0 37 . -12.266 9.725 11.911 1.00 95.54 37 A 1 ATOM 273 O OD1 . ASP A 0 37 . -12.180 8.632 12.515 1.00 95.54 37 A 1 ATOM 274 O OD2 . ASP A 0 37 . -11.956 10.830 12.432 1.00 95.54 37 A 1 ATOM 275 N N . VAL A 0 38 . -11.886 8.779 7.220 1.00 96.65 38 A 1 ATOM 276 C CA . VAL A 0 38 . -12.161 8.933 5.778 1.00 96.65 38 A 1 ATOM 277 C C . VAL A 0 38 . -11.690 7.742 4.942 1.00 96.65 38 A 1 ATOM 278 C CB . VAL A 0 38 . -11.619 10.261 5.230 1.00 96.65 38 A 1 ATOM 279 O O . VAL A 0 38 . -11.800 7.759 3.719 1.00 96.65 38 A 1 ATOM 280 C CG1 . VAL A 0 38 . -12.218 11.448 5.992 1.00 96.65 38 A 1 ATOM 281 C CG2 . VAL A 0 38 . -10.099 10.376 5.295 1.00 96.65 38 A 1 ATOM 282 N N . ILE A 0 39 . -11.199 6.690 5.597 1.00 96.84 39 A 1 ATOM 283 C CA . ILE A 0 39 . -10.777 5.438 4.969 1.00 96.84 39 A 1 ATOM 284 C C . ILE A 0 39 . -11.774 4.359 5.386 1.00 96.84 39 A 1 ATOM 285 C CB . ILE A 0 39 . -9.326 5.099 5.376 1.00 96.84 39 A 1 ATOM 286 O O . ILE A 0 39 . -12.003 4.162 6.573 1.00 96.84 39 A 1 ATOM 287 C CG1 . ILE A 0 39 . -8.336 6.167 4.857 1.00 96.84 39 A 1 ATOM 288 C CG2 . ILE A 0 39 . -8.924 3.711 4.840 1.00 96.84 39 A 1 ATOM 289 C CD1 . ILE A 0 39 . -6.948 6.092 5.509 1.00 96.84 39 A 1 ATOM 290 N N . ALA A 0 40 . -12.346 3.631 4.424 1.00 95.61 40 A 1 ATOM 291 C CA . ALA A 0 40 . -13.372 2.621 4.708 1.00 95.61 40 A 1 ATOM 292 C C . ALA A 0 40 . -12.877 1.489 5.632 1.00 95.61 40 A 1 ATOM 293 C CB . ALA A 0 40 . -13.876 2.064 3.371 1.00 95.61 40 A 1 ATOM 294 O O . ALA A 0 40 . -13.616 1.029 6.498 1.00 95.61 40 A 1 ATOM 295 N N . PHE A 0 41 . -11.618 1.066 5.465 1.00 95.51 41 A 1 ATOM 296 C CA . PHE A 0 41 . -10.982 0.001 6.249 1.00 95.51 41 A 1 ATOM 297 C C . PHE A 0 41 . -9.611 0.471 6.759 1.00 95.51 41 A 1 ATOM 298 C CB . PHE A 0 41 . -10.890 -1.276 5.401 1.00 95.51 41 A 1 ATOM 299 O O . PHE A 0 41 . -8.576 0.151 6.168 1.00 95.51 41 A 1 ATOM 300 C CG . PHE A 0 41 . -12.220 -1.719 4.827 1.00 95.51 41 A 1 ATOM 301 C CD1 . PHE A 0 41 . -13.204 -2.264 5.670 1.00 95.51 41 A 1 ATOM 302 C CD2 . PHE A 0 41 . -12.488 -1.546 3.457 1.00 95.51 41 A 1 ATOM 303 C CE1 . PHE A 0 41 . -14.451 -2.644 5.144 1.00 95.51 41 A 1 ATOM 304 C CE2 . PHE A 0 41 . -13.735 -1.924 2.930 1.00 95.51 41 A 1 ATOM 305 C CZ . PHE A 0 41 . -14.716 -2.474 3.774 1.00 95.51 41 A 1 ATOM 306 N N . PRO A 0 42 . -9.573 1.311 7.807 1.00 95.00 42 A 1 ATOM 307 C CA . PRO A 0 42 . -8.330 1.887 8.286 1.00 95.00 42 A 1 ATOM 308 C C . PRO A 0 42 . -7.516 0.859 9.076 1.00 95.00 42 A 1 ATOM 309 C CB . PRO A 0 42 . -8.752 3.072 9.150 1.00 95.00 42 A 1 ATOM 310 O O . PRO A 0 42 . -8.051 0.092 9.876 1.00 95.00 42 A 1 ATOM 311 C CG . PRO A 0 42 . -10.098 2.632 9.725 1.00 95.00 42 A 1 ATOM 312 C CD . PRO A 0 42 . -10.697 1.766 8.618 1.00 95.00 42 A 1 ATOM 313 N N . LYS A 0 43 . -6.191 0.904 8.926 1.00 94.98 43 A 1 ATOM 314 C CA . LYS A 0 43 . -5.277 0.156 9.797 1.00 94.98 43 A 1 ATOM 315 C C . LYS A 0 43 . -5.098 0.853 11.149 1.00 94.98 43 A 1 ATOM 316 C CB . LYS A 0 43 . -3.947 -0.119 9.080 1.00 94.98 43 A 1 ATOM 317 O O . LYS A 0 43 . -5.193 2.079 11.269 1.00 94.98 43 A 1 ATOM 318 C CG . LYS A 0 43 . -4.139 -1.204 8.009 1.00 94.98 43 A 1 ATOM 319 C CD . LYS A 0 43 . -2.817 -1.579 7.320 1.00 94.98 43 A 1 ATOM 320 C CE . LYS A 0 43 . -2.881 -2.978 6.684 1.00 94.98 43 A 1 ATOM 321 N NZ . LYS A 0 43 . -3.000 -4.052 7.709 1.00 94.98 43 A 1 ATOM 322 N N . ALA A 0 44 . -4.829 0.056 12.177 1.00 93.33 44 A 1 ATOM 323 C CA . ALA A 0 44 . -4.398 0.527 13.484 1.00 93.33 44 A 1 ATOM 324 C C . ALA A 0 44 . -2.977 1.116 13.418 1.00 93.33 44 A 1 ATOM 325 C CB . ALA A 0 44 . -4.514 -0.635 14.476 1.00 93.33 44 A 1 ATOM 326 O O . ALA A 0 44 . -2.250 0.936 12.441 1.00 93.33 44 A 1 ATOM 327 N N . ALA A 0 45 . -2.576 1.829 14.474 1.00 91.85 45 A 1 ATOM 328 C CA . ALA A 0 45 . -1.271 2.494 14.538 1.00 91.85 45 A 1 ATOM 329 C C . ALA A 0 45 . -0.085 1.512 14.480 1.00 91.85 45 A 1 ATOM 330 C CB . ALA A 0 45 . -1.228 3.334 15.820 1.00 91.85 45 A 1 ATOM 331 O O . ALA A 0 45 . 0.986 1.879 14.013 1.00 91.85 45 A 1 ATOM 332 N N . ASP A 0 46 . -0.285 0.264 14.909 1.00 93.60 46 A 1 ATOM 333 C CA . ASP A 0 46 . 0.686 -0.830 14.796 1.00 93.60 46 A 1 ATOM 334 C C . ASP A 0 46 . 0.603 -1.575 13.446 1.00 93.60 46 A 1 ATOM 335 C CB . ASP A 0 46 . 0.540 -1.769 16.010 1.00 93.60 46 A 1 ATOM 336 O O . ASP A 0 46 . 1.171 -2.654 13.289 1.00 93.60 46 A 1 ATOM 337 C CG . ASP A 0 46 . -0.768 -2.571 16.046 1.00 93.60 46 A 1 ATOM 338 O OD1 . ASP A 0 46 . -1.716 -2.204 15.313 1.00 93.60 46 A 1 ATOM 339 O OD2 . ASP A 0 46 . -0.819 -3.554 16.828 1.00 93.60 46 A 1 ATOM 340 N N . GLY A 0 47 . -0.117 -1.019 12.465 1.00 92.95 47 A 1 ATOM 341 C CA . GLY A 0 47 . -0.259 -1.570 11.117 1.00 92.95 47 A 1 ATOM 342 C C . GLY A 0 47 . -1.250 -2.730 11.000 1.00 92.95 47 A 1 ATOM 343 O O . GLY A 0 47 . -1.444 -3.255 9.895 1.00 92.95 47 A 1 ATOM 344 N N . LYS A 0 48 . -1.909 -3.134 12.091 1.00 93.55 48 A 1 ATOM 345 C CA . LYS A 0 48 . -2.873 -4.238 12.062 1.00 93.55 48 A 1 ATOM 346 C C . LYS A 0 48 . -4.208 -3.809 11.472 1.00 93.55 48 A 1 ATOM 347 C CB . LYS A 0 48 . -3.050 -4.854 13.452 1.00 93.55 48 A 1 ATOM 348 O O . LYS A 0 48 . -4.682 -2.701 11.705 1.00 93.55 48 A 1 ATOM 349 C CG . LYS A 0 48 . -1.740 -5.487 13.934 1.00 93.55 48 A 1 ATOM 350 C CD . LYS A 0 48 . -1.939 -6.137 15.299 1.00 93.55 48 A 1 ATOM 351 C CE . LYS A 0 48 . -0.578 -6.560 15.855 1.00 93.55 48 A 1 ATOM 352 N NZ . LYS A 0 48 . -0.512 -6.248 17.295 1.00 93.55 48 A 1 ATOM 353 N N . ASP A 0 49 . -4.819 -4.692 10.697 1.00 93.75 49 A 1 ATOM 354 C CA . ASP A 0 49 . -6.236 -4.593 10.363 1.00 93.75 49 A 1 ATOM 355 C C . ASP A 0 49 . -7.030 -5.374 11.412 1.00 93.75 49 A 1 ATOM 356 C CB . ASP A 0 49 . -6.473 -5.150 8.962 1.00 93.75 49 A 1 ATOM 357 O O . ASP A 0 49 . -6.928 -6.599 11.494 1.00 93.75 49 A 1 ATOM 358 C CG . ASP A 0 49 . -7.934 -5.094 8.526 1.00 93.75 49 A 1 ATOM 359 O OD1 . ASP A 0 49 . -8.785 -4.660 9.332 1.00 93.75 49 A 1 ATOM 360 O OD2 . ASP A 0 49 . -8.185 -5.570 7.404 1.00 93.75 49 A 1 ATOM 361 N N . LEU A 0 50 . -7.807 -4.654 12.218 1.00 90.30 50 A 1 ATOM 362 C CA . LEU A 0 50 . -8.606 -5.241 13.292 1.00 90.30 50 A 1 ATOM 363 C C . LEU A 0 50 . -9.848 -5.976 12.774 1.00 90.30 50 A 1 ATOM 364 C CB . LEU A 0 50 . -9.009 -4.136 14.284 1.00 90.30 50 A 1 ATOM 365 O O . LEU A 0 50 . -10.369 -6.826 13.489 1.00 90.30 50 A 1 ATOM 366 C CG . LEU A 0 50 . -7.833 -3.409 14.961 1.00 90.30 50 A 1 ATOM 367 C CD1 . LEU A 0 50 . -8.375 -2.295 15.858 1.00 90.30 50 A 1 ATOM 368 C CD2 . LEU A 0 50 . -6.981 -4.346 15.821 1.00 90.30 50 A 1 ATOM 369 N N . LEU A 0 51 . -10.319 -5.664 11.561 1.00 92.25 51 A 1 ATOM 370 C CA . LEU A 0 51 . -11.489 -6.313 10.969 1.00 92.25 51 A 1 ATOM 371 C C . LEU A 0 51 . -11.130 -7.709 10.457 1.00 92.25 51 A 1 ATOM 372 C CB . LEU A 0 51 . -12.034 -5.417 9.841 1.00 92.25 51 A 1 ATOM 373 O O . LEU A 0 51 . -11.836 -8.673 10.736 1.00 92.25 51 A 1 ATOM 374 C CG . LEU A 0 51 . -13.302 -5.964 9.161 1.00 92.25 51 A 1 ATOM 375 C CD1 . LEU A 0 51 . -14.501 -5.973 10.113 1.00 92.25 51 A 1 ATOM 376 C CD2 . LEU A 0 51 . -13.653 -5.091 7.957 1.00 92.25 51 A 1 ATOM 377 N N . CYS A 0 52 . -10.019 -7.810 9.726 1.00 92.90 52 A 1 ATOM 378 C CA . CYS A 0 52 . -9.584 -9.068 9.115 1.00 92.90 52 A 1 ATOM 379 C C . CYS A 0 52 . -8.576 -9.851 9.970 1.00 92.90 52 A 1 ATOM 380 C CB . CYS A 0 52 . -9.016 -8.778 7.721 1.00 92.90 52 A 1 ATOM 381 O O . CYS A 0 52 . -8.254 -10.989 9.639 1.00 92.90 52 A 1 ATOM 382 S SG . CYS A 0 52 . -10.220 -7.897 6.688 1.00 92.90 52 A 1 ATOM 383 N N . GLY A 0 53 . -8.031 -9.251 11.033 1.00 91.40 53 A 1 ATOM 384 C CA . GLY A 0 53 . -6.987 -9.868 11.854 1.00 91.40 53 A 1 ATOM 385 C C . GLY A 0 53 . -5.633 -9.976 11.144 1.00 91.40 53 A 1 ATOM 386 O O . GLY A 0 53 . -4.894 -10.922 11.395 1.00 91.40 53 A 1 ATOM 387 N N . THR A 0 54 . -5.303 -9.035 10.251 1.00 94.28 54 A 1 ATOM 388 C CA . THR A 0 54 . -4.040 -9.051 9.483 1.00 94.28 54 A 1 ATOM 389 C C . THR A 0 54 . -2.989 -8.105 10.079 1.00 94.28 54 A 1 ATOM 390 C CB . THR A 0 54 . -4.233 -8.761 7.983 1.00 94.28 54 A 1 ATOM 391 O O . THR A 0 54 . -3.359 -7.107 10.703 1.00 94.28 54 A 1 ATOM 392 C CG2 . THR A 0 54 . -5.295 -9.639 7.329 1.00 94.28 54 A 1 ATOM 393 O OG1 . THR A 0 54 . -4.543 -7.411 7.726 1.00 94.28 54 A 1 ATOM 394 N N . PRO A 0 55 . -1.678 -8.329 9.859 1.00 94.16 55 A 1 ATOM 395 C CA . PRO A 0 55 . -1.065 -9.473 9.175 1.00 94.16 55 A 1 ATOM 396 C C . PRO A 0 55 . -1.213 -10.780 9.963 1.00 94.16 55 A 1 ATOM 397 C CB . PRO A 0 55 . 0.408 -9.091 9.004 1.00 94.16 55 A 1 ATOM 398 O O . PRO A 0 55 . -1.287 -10.767 11.190 1.00 94.16 55 A 1 ATOM 399 C CG . PRO A 0 55 . 0.678 -8.196 10.212 1.00 94.16 55 A 1 ATOM 400 C CD . PRO A 0 55 . -0.642 -7.450 10.382 1.00 94.16 55 A 1 ATOM 401 N N . THR A 0 56 . -1.230 -11.901 9.244 1.00 92.93 56 A 1 ATOM 402 C CA . THR A 0 56 . -1.260 -13.257 9.805 1.00 92.93 56 A 1 ATOM 403 C C . THR A 0 56 . 0.031 -13.994 9.469 1.00 92.93 56 A 1 ATOM 404 C CB . THR A 0 56 . -2.466 -14.064 9.294 1.00 92.93 56 A 1 ATOM 405 O O . THR A 0 56 . 0.743 -13.629 8.532 1.00 92.93 56 A 1 ATOM 406 C CG2 . THR A 0 56 . -3.792 -13.411 9.676 1.00 92.93 56 A 1 ATOM 407 O OG1 . THR A 0 56 . -2.431 -14.175 7.890 1.00 92.93 56 A 1 ATOM 408 N N . MET A 0 57 . 0.323 -15.052 10.224 1.00 92.08 57 A 1 ATOM 409 C CA . MET A 0 57 . 1.357 -16.006 9.828 1.00 92.08 57 A 1 ATOM 410 C C . MET A 0 57 . 0.913 -16.762 8.574 1.00 92.08 57 A 1 ATOM 411 C CB . MET A 0 57 . 1.683 -16.962 10.983 1.00 92.08 57 A 1 ATOM 412 O O . MET A 0 57 . -0.283 -16.951 8.343 1.00 92.08 57 A 1 ATOM 413 C CG . MET A 0 57 . 2.365 -16.240 12.154 1.00 92.08 57 A 1 ATOM 414 S SD . MET A 0 57 . 3.953 -15.434 11.782 1.00 92.08 57 A 1 ATOM 415 C CE . MET A 0 57 . 4.976 -16.881 11.389 1.00 92.08 57 A 1 ATOM 416 N N . VAL A 0 58 . 1.891 -17.157 7.767 1.00 93.62 58 A 1 ATOM 417 C CA . VAL A 0 58 . 1.709 -17.930 6.538 1.00 93.62 58 A 1 ATOM 418 C C . VAL A 0 58 . 2.444 -19.257 6.716 1.00 93.62 58 A 1 ATOM 419 C CB . VAL A 0 58 . 2.241 -17.147 5.320 1.00 93.62 58 A 1 ATOM 420 O O . VAL A 0 58 . 3.509 -19.269 7.333 1.00 93.62 58 A 1 ATOM 421 C CG1 . VAL A 0 58 . 1.928 -17.878 4.019 1.00 93.62 58 A 1 ATOM 422 C CG2 . VAL A 0 58 . 1.627 -15.744 5.203 1.00 93.62 58 A 1 ATOM 423 N N . ASP A 0 59 . 1.883 -20.346 6.191 1.00 94.04 59 A 1 ATOM 424 C CA . ASP A 0 59 . 2.471 -21.683 6.298 1.00 94.04 59 A 1 ATOM 425 C C . ASP A 0 59 . 3.829 -21.780 5.589 1.00 94.04 59 A 1 ATOM 426 C CB . ASP A 0 59 . 1.506 -22.741 5.736 1.00 94.04 59 A 1 ATOM 427 O O . ASP A 0 59 . 4.043 -21.195 4.520 1.00 94.04 59 A 1 ATOM 428 C CG . ASP A 0 59 . 0.193 -22.834 6.522 1.00 94.04 59 A 1 ATOM 429 O OD1 . ASP A 0 59 . 0.229 -22.620 7.755 1.00 94.04 59 A 1 ATOM 430 O OD2 . ASP A 0 59 . -0.848 -23.073 5.873 1.00 94.04 59 A 1 ATOM 431 N N . ASP A 0 60 . 4.732 -22.585 6.154 1.00 93.57 60 A 1 ATOM 432 C CA . ASP A 0 60 . 6.085 -22.790 5.619 1.00 93.57 60 A 1 ATOM 433 C C . ASP A 0 60 . 6.071 -23.349 4.186 1.00 93.57 60 A 1 ATOM 434 C CB . ASP A 0 60 . 6.873 -23.735 6.543 1.00 93.57 60 A 1 ATOM 435 O O . ASP A 0 60 . 6.946 -23.029 3.380 1.00 93.57 60 A 1 ATOM 436 C CG . ASP A 0 60 . 7.258 -23.113 7.893 1.00 93.57 60 A 1 ATOM 437 O OD1 . ASP A 0 60 . 7.473 -21.881 7.944 1.00 93.57 60 A 1 ATOM 438 O OD2 . ASP A 0 60 . 7.385 -23.890 8.866 1.00 93.57 60 A 1 ATOM 439 N N . GLU A 0 61 . 5.048 -24.128 3.827 1.00 95.55 61 A 1 ATOM 440 C CA . GLU A 0 61 . 4.856 -24.635 2.465 1.00 95.55 61 A 1 ATOM 441 C C . GLU A 0 61 . 4.674 -23.495 1.459 1.00 95.55 61 A 1 ATOM 442 C CB . GLU A 0 61 . 3.641 -25.572 2.429 1.00 95.55 61 A 1 ATOM 443 O O . GLU A 0 61 . 5.287 -23.517 0.391 1.00 95.55 61 A 1 ATOM 444 C CG . GLU A 0 61 . 3.973 -26.917 3.094 1.00 95.55 61 A 1 ATOM 445 C CD . GLU A 0 61 . 2.757 -27.835 3.283 1.00 95.55 61 A 1 ATOM 446 O OE1 . GLU A 0 61 . 2.993 -29.019 3.614 1.00 95.55 61 A 1 ATOM 447 O OE2 . GLU A 0 61 . 1.614 -27.364 3.094 1.00 95.55 61 A 1 ATOM 448 N N . ILE A 0 62 . 3.910 -22.457 1.806 1.00 95.90 62 A 1 ATOM 449 C CA . ILE A 0 62 . 3.729 -21.281 0.948 1.00 95.90 62 A 1 ATOM 450 C C . ILE A 0 62 . 5.030 -20.481 0.893 1.00 95.90 62 A 1 ATOM 451 C CB . ILE A 0 62 . 2.552 -20.418 1.445 1.00 95.90 62 A 1 ATOM 452 O O . ILE A 0 62 . 5.452 -20.080 -0.190 1.00 95.90 62 A 1 ATOM 453 C CG1 . ILE A 0 62 . 1.225 -21.209 1.395 1.00 95.90 62 A 1 ATOM 454 C CG2 . ILE A 0 62 . 2.439 -19.110 0.635 1.00 95.90 62 A 1 ATOM 455 C CD1 . ILE A 0 62 . 0.018 -20.470 1.988 1.00 95.90 62 A 1 ATOM 456 N N . LEU A 0 63 . 5.711 -20.286 2.027 1.00 96.14 63 A 1 ATOM 457 C CA . LEU A 0 63 . 6.999 -19.582 2.053 1.00 96.14 63 A 1 ATOM 458 C C . LEU A 0 63 . 8.040 -20.270 1.154 1.00 96.14 63 A 1 ATOM 459 C CB . LEU A 0 63 . 7.511 -19.480 3.500 1.00 96.14 63 A 1 ATOM 460 O O . LEU A 0 63 . 8.770 -19.594 0.422 1.00 96.14 63 A 1 ATOM 461 C CG . LEU A 0 63 . 6.632 -18.659 4.458 1.00 96.14 63 A 1 ATOM 462 C CD1 . LEU A 0 63 . 7.244 -18.692 5.857 1.00 96.14 63 A 1 ATOM 463 C CD2 . LEU A 0 63 . 6.519 -17.190 4.036 1.00 96.14 63 A 1 ATOM 464 N N . SER A 0 64 . 8.050 -21.606 1.141 1.00 95.23 64 A 1 ATOM 465 C CA . SER A 0 64 . 8.959 -22.398 0.311 1.00 95.23 64 A 1 ATOM 466 C C . SER A 0 64 . 8.735 -22.193 -1.192 1.00 95.23 64 A 1 ATOM 467 C CB . SER A 0 64 . 8.865 -23.882 0.686 1.00 95.23 64 A 1 ATOM 468 O O . SER A 0 64 . 9.705 -22.139 -1.946 1.00 95.23 64 A 1 ATOM 469 O OG . SER A 0 64 . 7.744 -24.521 0.105 1.00 95.23 64 A 1 ATOM 470 N N . GLN A 0 65 . 7.486 -21.983 -1.628 1.00 97.09 65 A 1 ATOM 471 C CA . GLN A 0 65 . 7.154 -21.716 -3.036 1.00 97.09 65 A 1 ATOM 472 C C . GLN A 0 65 . 7.744 -20.394 -3.536 1.00 97.09 65 A 1 ATOM 473 C CB . GLN A 0 65 . 5.631 -21.680 -3.224 1.00 97.09 65 A 1 ATOM 474 O O . GLN A 0 65 . 8.067 -20.269 -4.717 1.00 97.09 65 A 1 ATOM 475 C CG . GLN A 0 65 . 4.975 -23.048 -3.009 1.00 97.09 65 A 1 ATOM 476 C CD . GLN A 0 65 . 3.454 -22.968 -2.976 1.00 97.09 65 A 1 ATOM 477 N NE2 . GLN A 0 65 . 2.799 -23.933 -2.370 1.00 97.09 65 A 1 ATOM 478 O OE1 . GLN A 0 65 . 2.821 -22.063 -3.495 1.00 97.09 65 A 1 ATOM 479 N N . TYR A 0 66 . 7.909 -19.418 -2.642 1.00 96.61 66 A 1 ATOM 480 C CA . TYR A 0 66 . 8.522 -18.125 -2.951 1.00 96.61 66 A 1 ATOM 481 C C . TYR A 0 66 . 10.020 -18.079 -2.624 1.00 96.61 66 A 1 ATOM 482 C CB . TYR A 0 66 . 7.730 -17.012 -2.254 1.00 96.61 66 A 1 ATOM 483 O O . TYR A 0 66 . 10.641 -17.030 -2.788 1.00 96.61 66 A 1 ATOM 484 C CG . TYR A 0 66 . 6.313 -16.872 -2.770 1.00 96.61 66 A 1 ATOM 485 C CD1 . TYR A 0 66 . 6.071 -16.252 -4.010 1.00 96.61 66 A 1 ATOM 486 C CD2 . TYR A 0 66 . 5.241 -17.389 -2.023 1.00 96.61 66 A 1 ATOM 487 C CE1 . TYR A 0 66 . 4.755 -16.157 -4.505 1.00 96.61 66 A 1 ATOM 488 C CE2 . TYR A 0 66 . 3.927 -17.305 -2.516 1.00 96.61 66 A 1 ATOM 489 O OH . TYR A 0 66 . 2.411 -16.601 -4.228 1.00 96.61 66 A 1 ATOM 490 C CZ . TYR A 0 66 . 3.682 -16.690 -3.757 1.00 96.61 66 A 1 ATOM 491 N N . CYS A 0 67 . 10.609 -19.195 -2.177 1.00 96.19 67 A 1 ATOM 492 C CA . CYS A 0 67 . 12.006 -19.285 -1.747 1.00 96.19 67 A 1 ATOM 493 C C . CYS A 0 67 . 12.379 -18.243 -0.673 1.00 96.19 67 A 1 ATOM 494 C CB . CYS A 0 67 . 12.934 -19.246 -2.973 1.00 96.19 67 A 1 ATOM 495 O O . CYS A 0 67 . 13.488 -17.703 -0.685 1.00 96.19 67 A 1 ATOM 496 S SG . CYS A 0 67 . 12.586 -20.627 -4.100 1.00 96.19 67 A 1 ATOM 497 N N . ILE A 0 68 . 11.459 -17.949 0.250 1.00 95.68 68 A 1 ATOM 498 C CA . ILE A 0 68 . 11.669 -16.998 1.352 1.00 95.68 68 A 1 ATOM 499 C C . ILE A 0 68 . 11.557 -17.689 2.715 1.00 95.68 68 A 1 ATOM 500 C CB . ILE A 0 68 . 10.732 -15.773 1.248 1.00 95.68 68 A 1 ATOM 501 O O . ILE A 0 68 . 10.922 -18.729 2.854 1.00 95.68 68 A 1 ATOM 502 C CG1 . ILE A 0 68 . 9.245 -16.182 1.300 1.00 95.68 68 A 1 ATOM 503 C CG2 . ILE A 0 68 . 11.068 -14.940 -0.002 1.00 95.68 68 A 1 ATOM 504 C CD1 . ILE A 0 68 . 8.261 -15.006 1.267 1.00 95.68 68 A 1 ATOM 505 N N . SER A 0 69 . 12.162 -17.088 3.740 1.00 92.32 69 A 1 ATOM 506 C CA . SER A 0 69 . 12.088 -17.547 5.132 1.00 92.32 69 A 1 ATOM 507 C C . SER A 0 69 . 11.973 -16.358 6.083 1.00 92.32 69 A 1 ATOM 508 C CB . SER A 0 69 . 13.326 -18.378 5.494 1.00 92.32 69 A 1 ATOM 509 O O . SER A 0 69 . 12.626 -15.335 5.862 1.00 92.32 69 A 1 ATOM 510 O OG . SER A 0 69 . 14.501 -17.584 5.431 1.00 92.32 69 A 1 ATOM 511 N N . VAL A 0 70 . 11.202 -16.493 7.163 1.00 91.34 70 A 1 ATOM 512 C CA . VAL A 0 70 . 11.060 -15.436 8.178 1.00 91.34 70 A 1 ATOM 513 C C . VAL A 0 70 . 12.305 -15.384 9.069 1.00 91.34 70 A 1 ATOM 514 C CB . VAL A 0 70 . 9.781 -15.631 9.018 1.00 91.34 70 A 1 ATOM 515 O O . VAL A 0 70 . 12.654 -16.367 9.721 1.00 91.34 70 A 1 ATOM 516 C CG1 . VAL A 0 70 . 9.615 -14.513 10.058 1.00 91.34 70 A 1 ATOM 517 C CG2 . VAL A 0 70 . 8.529 -15.627 8.129 1.00 91.34 70 A 1 ATOM 518 N N . SER A 0 71 . 12.963 -14.224 9.144 1.00 89.44 71 A 1 ATOM 519 C CA . SER A 0 71 . 14.075 -13.974 10.065 1.00 89.44 71 A 1 ATOM 520 C C . SER A 0 71 . 13.611 -13.144 11.268 1.00 89.44 71 A 1 ATOM 521 C CB . SER A 0 71 . 15.260 -13.338 9.323 1.00 89.44 71 A 1 ATOM 522 O O . SER A 0 71 . 13.226 -11.984 11.150 1.00 89.44 71 A 1 ATOM 523 O OG . SER A 0 71 . 14.891 -12.146 8.661 1.00 89.44 71 A 1 ATOM 524 N N . ASN A 0 72 . 13.655 -13.734 12.466 1.00 82.56 72 A 1 ATOM 525 C CA . ASN A 0 72 . 13.399 -12.999 13.706 1.00 82.56 72 A 1 ATOM 526 C C . ASN A 0 72 . 14.674 -12.271 14.149 1.00 82.56 72 A 1 ATOM 527 C CB . ASN A 0 72 . 12.839 -13.948 14.782 1.00 82.56 72 A 1 ATOM 528 O O . ASN A 0 72 . 15.522 -12.848 14.828 1.00 82.56 72 A 1 ATOM 529 C CG . ASN A 0 72 . 11.342 -14.155 14.643 1.00 82.56 72 A 1 ATOM 530 N ND2 . ASN A 0 72 . 10.844 -15.342 14.898 1.00 82.56 72 A 1 ATOM 531 O OD1 . ASN A 0 72 . 10.592 -13.249 14.340 1.00 82.56 72 A 1 ATOM 532 N N . LEU A 0 73 . 14.789 -10.993 13.784 1.00 64.37 73 A 1 ATOM 533 C CA . LEU A 0 73 . 15.923 -10.123 14.132 1.00 64.37 73 A 1 ATOM 534 C C . LEU A 0 73 . 15.960 -9.674 15.610 1.00 64.37 73 A 1 ATOM 535 C CB . LEU A 0 73 . 15.967 -8.948 13.131 1.00 64.37 73 A 1 ATOM 536 O O . LEU A 0 73 . 16.872 -8.957 15.996 1.00 64.37 73 A 1 ATOM 537 C CG . LEU A 0 73 . 16.720 -9.319 11.837 1.00 64.37 73 A 1 ATOM 538 C CD1 . LEU A 0 73 . 16.236 -8.475 10.659 1.00 64.37 73 A 1 ATOM 539 C CD2 . LEU A 0 73 . 18.227 -9.099 11.995 1.00 64.37 73 A 1 ATOM 540 N N . ASN A 0 74 . 15.042 -10.156 16.457 1.00 56.59 74 A 1 ATOM 541 C CA . ASN A 0 74 . 14.985 -9.843 17.894 1.00 56.59 74 A 1 ATOM 542 C C . ASN A 0 74 . 15.396 -11.020 18.803 1.00 56.59 74 A 1 ATOM 543 C CB . ASN A 0 74 . 13.604 -9.254 18.238 1.00 56.59 74 A 1 ATOM 544 O O . ASN A 0 74 . 14.912 -11.144 19.925 1.00 56.59 74 A 1 ATOM 545 C CG . ASN A 0 74 . 13.365 -7.883 17.631 1.00 56.59 74 A 1 ATOM 546 N ND2 . ASN A 0 74 . 12.124 -7.468 17.542 1.00 56.59 74 A 1 ATOM 547 O OD1 . ASN A 0 74 . 14.256 -7.160 17.233 1.00 56.59 74 A 1 ATOM 548 N N . LYS A 0 75 . 16.287 -11.903 18.334 1.00 48.30 75 A 1 ATOM 549 C CA . LYS A 0 75 . 17.076 -12.776 19.221 1.00 48.30 75 A 1 ATOM 550 C C . LYS A 0 75 . 18.405 -12.090 19.537 1.00 48.30 75 A 1 ATOM 551 C CB . LYS A 0 75 . 17.289 -14.172 18.607 1.00 48.30 75 A 1 ATOM 552 O O . LYS A 0 75 . 19.432 -12.473 18.985 1.00 48.30 75 A 1 ATOM 553 C CG . LYS A 0 75 . 16.123 -15.135 18.850 1.00 48.30 75 A 1 ATOM 554 C CD . LYS A 0 75 . 16.481 -16.505 18.256 1.00 48.30 75 A 1 ATOM 555 C CE . LYS A 0 75 . 15.365 -17.520 18.517 1.00 48.30 75 A 1 ATOM 556 N NZ . LYS A 0 75 . 15.649 -18.814 17.848 1.00 48.30 75 A 1 ATOM 557 N N . SER A 0 76 . 18.376 -11.073 20.392 1.00 37.95 76 A 1 ATOM 558 C CA . SER A 0 76 . 19.555 -10.628 21.135 1.00 37.95 76 A 1 ATOM 559 C C . SER A 0 76 . 19.149 -9.914 22.410 1.00 37.95 76 A 1 ATOM 560 C CB . SER A 0 76 . 20.460 -9.741 20.287 1.00 37.95 76 A 1 ATOM 561 O O . SER A 0 76 . 18.093 -9.245 22.387 1.00 37.95 76 A 1 ATOM 562 O OG . SER A 0 76 . 21.760 -9.947 20.789 1.00 37.95 76 A 1 ATOM 563 O OXT . SER A 0 76 . 19.924 -10.091 23.368 1.00 37.95 76 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 91.40 # loop_ _atom_type.symbol C N O S #