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 SER 0 3 SER 0 4 PHE 0 5 LEU 0 6 GLY 0 7 LYS 0 8 TRP 0 9 LYS 0 10 LEU 0 11 SER 0 12 GLU 0 13 SER 0 14 HIS 0 15 ASN 0 16 PHE 0 17 ASP 0 18 ALA 0 19 VAL 0 20 MET 0 21 SER 0 22 LYS 0 23 LEU 0 24 GLY 0 25 VAL 0 26 SER 0 27 TRP 0 28 ALA 0 29 THR 0 30 ARG 0 31 GLN 0 32 ILE 0 33 GLY 0 34 ASN 0 35 THR 0 36 VAL 0 37 THR 0 38 PRO 0 39 THR 0 40 VAL 0 41 THR 0 42 PHE 0 43 THR 0 44 MET 0 45 ASP 0 46 GLY 0 47 ASP 0 48 LYS 0 49 MET 0 50 THR 0 51 MET 0 52 LEU 0 53 THR 0 54 GLU 0 55 SER 0 56 THR 0 57 PHE 0 58 LYS 0 59 ASN 0 60 LEU 0 61 SER 0 62 CYS 0 63 THR 0 64 PHE 0 65 LYS 0 66 PHE 0 67 GLY 0 68 GLU 0 69 GLU 0 70 PHE 0 71 ASP 0 72 GLU 0 73 LYS 0 74 THR 0 75 SER 0 76 ASP 0 77 GLY 0 78 ARG 0 79 ASN 0 80 VAL 0 81 LYS 0 82 THR 0 83 VAL 0 84 THR 0 85 VAL 0 86 GLY 0 87 ASP 0 88 VAL 0 89 THR 0 90 ALA 0 91 ILE 0 92 ARG 0 93 ASN 0 94 TYR 0 95 LYS 0 96 ARG 0 97 LEU 0 98 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 . -12.700 -5.977 11.907 1.00 66.28 1 A 1 ATOM 2 C CA . MET A 0 1 . -12.326 -5.065 10.802 1.00 66.28 1 A 1 ATOM 3 C C . MET A 0 1 . -12.082 -3.629 11.256 1.00 66.28 1 A 1 ATOM 4 C CB . MET A 0 1 . -13.337 -5.090 9.646 1.00 66.28 1 A 1 ATOM 5 O O . MET A 0 1 . -11.102 -3.043 10.822 1.00 66.28 1 A 1 ATOM 6 C CG . MET A 0 1 . -12.571 -5.234 8.332 1.00 66.28 1 A 1 ATOM 7 S SD . MET A 0 1 . -11.962 -6.922 8.104 1.00 66.28 1 A 1 ATOM 8 C CE . MET A 0 1 . -10.436 -6.585 7.197 1.00 66.28 1 A 1 ATOM 9 N N . SER A 0 2 . -12.928 -3.067 12.130 1.00 72.21 2 A 1 ATOM 10 C CA . SER A 0 2 . -12.846 -1.664 12.583 1.00 72.21 2 A 1 ATOM 11 C C . SER A 0 2 . -11.465 -1.228 13.088 1.00 72.21 2 A 1 ATOM 12 C CB . SER A 0 2 . -13.878 -1.423 13.689 1.00 72.21 2 A 1 ATOM 13 O O . SER A 0 2 . -11.078 -0.089 12.863 1.00 72.21 2 A 1 ATOM 14 O OG . SER A 0 2 . -13.774 -2.443 14.669 1.00 72.21 2 A 1 ATOM 15 N N . SER A 0 3 . -10.689 -2.128 13.698 1.00 78.91 3 A 1 ATOM 16 C CA . SER A 0 3 . -9.329 -1.845 14.179 1.00 78.91 3 A 1 ATOM 17 C C . SER A 0 3 . -8.333 -1.443 13.085 1.00 78.91 3 A 1 ATOM 18 C CB . SER A 0 3 . -8.770 -3.073 14.904 1.00 78.91 3 A 1 ATOM 19 O O . SER A 0 3 . -7.348 -0.783 13.400 1.00 78.91 3 A 1 ATOM 20 O OG . SER A 0 3 . -9.717 -3.567 15.834 1.00 78.91 3 A 1 ATOM 21 N N . PHE A 0 4 . -8.569 -1.837 11.827 1.00 80.08 4 A 1 ATOM 22 C CA . PHE A 0 4 . -7.721 -1.468 10.687 1.00 80.08 4 A 1 ATOM 23 C C . PHE A 0 4 . -8.095 -0.109 10.089 1.00 80.08 4 A 1 ATOM 24 C CB . PHE A 0 4 . -7.795 -2.559 9.609 1.00 80.08 4 A 1 ATOM 25 O O . PHE A 0 4 . -7.292 0.476 9.363 1.00 80.08 4 A 1 ATOM 26 C CG . PHE A 0 4 . -7.280 -3.911 10.063 1.00 80.08 4 A 1 ATOM 27 C CD1 . PHE A 0 4 . -5.899 -4.106 10.248 1.00 80.08 4 A 1 ATOM 28 C CD2 . PHE A 0 4 . -8.174 -4.973 10.295 1.00 80.08 4 A 1 ATOM 29 C CE1 . PHE A 0 4 . -5.415 -5.357 10.670 1.00 80.08 4 A 1 ATOM 30 C CE2 . PHE A 0 4 . -7.690 -6.224 10.720 1.00 80.08 4 A 1 ATOM 31 C CZ . PHE A 0 4 . -6.310 -6.414 10.908 1.00 80.08 4 A 1 ATOM 32 N N . LEU A 0 5 . -9.291 0.406 10.393 1.00 86.18 5 A 1 ATOM 33 C CA . LEU A 0 5 . -9.726 1.713 9.914 1.00 86.18 5 A 1 ATOM 34 C C . LEU A 0 5 . -8.884 2.814 10.552 1.00 86.18 5 A 1 ATOM 35 C CB . LEU A 0 5 . -11.223 1.942 10.179 1.00 86.18 5 A 1 ATOM 36 O O . LEU A 0 5 . -8.523 2.742 11.728 1.00 86.18 5 A 1 ATOM 37 C CG . LEU A 0 5 . -12.149 0.853 9.616 1.00 86.18 5 A 1 ATOM 38 C CD1 . LEU A 0 5 . -13.605 1.210 9.919 1.00 86.18 5 A 1 ATOM 39 C CD2 . LEU A 0 5 . -11.998 0.662 8.109 1.00 86.18 5 A 1 ATOM 40 N N . GLY A 0 6 . -8.587 3.838 9.761 1.00 89.43 6 A 1 ATOM 41 C CA . GLY A 0 6 . -7.731 4.944 10.170 1.00 89.43 6 A 1 ATOM 42 C C . GLY A 0 6 . -6.543 5.137 9.242 1.00 89.43 6 A 1 ATOM 43 O O . GLY A 0 6 . -6.461 4.544 8.162 1.00 89.43 6 A 1 ATOM 44 N N . LYS A 0 7 . -5.639 6.022 9.664 1.00 91.44 7 A 1 ATOM 45 C CA . LYS A 0 7 . -4.508 6.489 8.859 1.00 91.44 7 A 1 ATOM 46 C C . LYS A 0 7 . -3.214 5.872 9.374 1.00 91.44 7 A 1 ATOM 47 C CB . LYS A 0 7 . -4.512 8.028 8.839 1.00 91.44 7 A 1 ATOM 48 O O . LYS A 0 7 . -2.916 5.945 10.562 1.00 91.44 7 A 1 ATOM 49 C CG . LYS A 0 7 . -3.527 8.592 7.806 1.00 91.44 7 A 1 ATOM 50 C CD . LYS A 0 7 . -3.772 10.081 7.492 1.00 91.44 7 A 1 ATOM 51 C CE . LYS A 0 7 . -2.892 10.502 6.301 1.00 91.44 7 A 1 ATOM 52 N NZ . LYS A 0 7 . -3.449 11.604 5.481 1.00 91.44 7 A 1 ATOM 53 N N . TRP A 0 8 . -2.430 5.288 8.478 1.00 89.69 8 A 1 ATOM 54 C CA . TRP A 0 8 . -1.279 4.449 8.797 1.00 89.69 8 A 1 ATOM 55 C C . TRP A 0 8 . -0.070 4.867 7.975 1.00 89.69 8 A 1 ATOM 56 C CB . TRP A 0 8 . -1.642 2.996 8.483 1.00 89.69 8 A 1 ATOM 57 O O . TRP A 0 8 . -0.123 4.862 6.752 1.00 89.69 8 A 1 ATOM 58 C CG . TRP A 0 8 . -2.767 2.438 9.283 1.00 89.69 8 A 1 ATOM 59 C CD1 . TRP A 0 8 . -4.069 2.494 8.930 1.00 89.69 8 A 1 ATOM 60 C CD2 . TRP A 0 8 . -2.720 1.718 10.551 1.00 89.69 8 A 1 ATOM 61 C CE2 . TRP A 0 8 . -4.058 1.383 10.918 1.00 89.69 8 A 1 ATOM 62 C CE3 . TRP A 0 8 . -1.685 1.288 11.412 1.00 89.69 8 A 1 ATOM 63 N NE1 . TRP A 0 8 . -4.835 1.866 9.889 1.00 89.69 8 A 1 ATOM 64 C CH2 . TRP A 0 8 . -3.307 0.256 12.923 1.00 89.69 8 A 1 ATOM 65 C CZ2 . TRP A 0 8 . -4.358 0.676 12.089 1.00 89.69 8 A 1 ATOM 66 C CZ3 . TRP A 0 8 . -1.975 0.554 12.579 1.00 89.69 8 A 1 ATOM 67 N N . LYS A 0 9 . 1.049 5.195 8.614 1.00 88.65 9 A 1 ATOM 68 C CA . LYS A 0 9 . 2.296 5.528 7.918 1.00 88.65 9 A 1 ATOM 69 C C . LYS A 0 9 . 3.236 4.337 7.924 1.00 88.65 9 A 1 ATOM 70 C CB . LYS A 0 9 . 2.914 6.774 8.551 1.00 88.65 9 A 1 ATOM 71 O O . LYS A 0 9 . 3.463 3.751 8.982 1.00 88.65 9 A 1 ATOM 72 C CG . LYS A 0 9 . 4.106 7.281 7.731 1.00 88.65 9 A 1 ATOM 73 C CD . LYS A 0 9 . 4.582 8.643 8.242 1.00 88.65 9 A 1 ATOM 74 C CE . LYS A 0 9 . 5.746 9.117 7.367 1.00 88.65 9 A 1 ATOM 75 N NZ . LYS A 0 9 . 6.209 10.473 7.751 1.00 88.65 9 A 1 ATOM 76 N N . LEU A 0 10 . 3.794 3.994 6.763 1.00 86.57 10 A 1 ATOM 77 C CA . LEU A 0 10 . 4.820 2.958 6.681 1.00 86.57 10 A 1 ATOM 78 C C . LEU A 0 10 . 5.995 3.344 7.588 1.00 86.57 10 A 1 ATOM 79 C CB . LEU A 0 10 . 5.270 2.788 5.218 1.00 86.57 10 A 1 ATOM 80 O O . LEU A 0 10 . 6.557 4.430 7.432 1.00 86.57 10 A 1 ATOM 81 C CG . LEU A 0 10 . 6.308 1.664 5.024 1.00 86.57 10 A 1 ATOM 82 C CD1 . LEU A 0 10 . 5.696 0.285 5.251 1.00 86.57 10 A 1 ATOM 83 C CD2 . LEU A 0 10 . 6.854 1.669 3.597 1.00 86.57 10 A 1 ATOM 84 N N . SER A 0 11 . 6.352 2.470 8.526 1.00 82.82 11 A 1 ATOM 85 C CA . SER A 0 11 . 7.518 2.659 9.389 1.00 82.82 11 A 1 ATOM 86 C C . SER A 0 11 . 8.703 1.846 8.908 1.00 82.82 11 A 1 ATOM 87 C CB . SER A 0 11 . 7.186 2.339 10.848 1.00 82.82 11 A 1 ATOM 88 O O . SER A 0 11 . 9.805 2.374 8.827 1.00 82.82 11 A 1 ATOM 89 O OG . SER A 0 11 . 6.768 1.005 11.064 1.00 82.82 11 A 1 ATOM 90 N N . GLU A 0 12 . 8.477 0.571 8.592 1.00 81.27 12 A 1 ATOM 91 C CA . GLU A 0 12 . 9.538 -0.374 8.250 1.00 81.27 12 A 1 ATOM 92 C C . GLU A 0 12 . 9.045 -1.360 7.190 1.00 81.27 12 A 1 ATOM 93 C CB . GLU A 0 12 . 10.034 -1.116 9.504 1.00 81.27 12 A 1 ATOM 94 O O . GLU A 0 12 . 7.867 -1.723 7.143 1.00 81.27 12 A 1 ATOM 95 C CG . GLU A 0 12 . 10.711 -0.175 10.517 1.00 81.27 12 A 1 ATOM 96 C CD . GLU A 0 12 . 11.069 -0.866 11.831 1.00 81.27 12 A 1 ATOM 97 O OE1 . GLU A 0 12 . 10.938 -0.178 12.870 1.00 81.27 12 A 1 ATOM 98 O OE2 . GLU A 0 12 . 11.401 -2.069 11.786 1.00 81.27 12 A 1 ATOM 99 N N . SER A 0 13 . 9.948 -1.793 6.316 1.00 82.34 13 A 1 ATOM 100 C CA . SER A 0 13 . 9.640 -2.701 5.216 1.00 82.34 13 A 1 ATOM 101 C C . SER A 0 13 . 10.761 -3.721 5.084 1.00 82.34 13 A 1 ATOM 102 C CB . SER A 0 13 . 9.462 -1.887 3.929 1.00 82.34 13 A 1 ATOM 103 O O . SER A 0 13 . 11.906 -3.348 4.842 1.00 82.34 13 A 1 ATOM 104 O OG . SER A 0 13 . 9.098 -2.713 2.839 1.00 82.34 13 A 1 ATOM 105 N N . HIS A 0 14 . 10.429 -5.007 5.180 1.00 82.08 14 A 1 ATOM 106 C CA . HIS A 0 14 . 11.392 -6.092 5.001 1.00 82.08 14 A 1 ATOM 107 C C . HIS A 0 14 . 11.137 -6.807 3.674 1.00 82.08 14 A 1 ATOM 108 C CB . HIS A 0 14 . 11.351 -7.046 6.200 1.00 82.08 14 A 1 ATOM 109 O O . HIS A 0 14 . 9.992 -6.993 3.266 1.00 82.08 14 A 1 ATOM 110 C CG . HIS A 0 14 . 11.696 -6.361 7.499 1.00 82.08 14 A 1 ATOM 111 C CD2 . HIS A 0 14 . 10.800 -5.891 8.419 1.00 82.08 14 A 1 ATOM 112 N ND1 . HIS A 0 14 . 12.958 -6.047 7.962 1.00 82.08 14 A 1 ATOM 113 C CE1 . HIS A 0 14 . 12.818 -5.403 9.135 1.00 82.08 14 A 1 ATOM 114 N NE2 . HIS A 0 14 . 11.520 -5.288 9.447 1.00 82.08 14 A 1 ATOM 115 N N . ASN A 0 15 . 12.211 -7.210 2.989 1.00 85.34 15 A 1 ATOM 116 C CA . ASN A 0 15 . 12.163 -8.019 1.764 1.00 85.34 15 A 1 ATOM 117 C C . ASN A 0 15 . 11.446 -7.382 0.547 1.00 85.34 15 A 1 ATOM 118 C CB . ASN A 0 15 . 11.604 -9.407 2.140 1.00 85.34 15 A 1 ATOM 119 O O . ASN A 0 15 . 11.184 -8.062 -0.444 1.00 85.34 15 A 1 ATOM 120 C CG . ASN A 0 15 . 12.032 -10.505 1.192 1.00 85.34 15 A 1 ATOM 121 N ND2 . ASN A 0 15 . 11.239 -11.537 1.041 1.00 85.34 15 A 1 ATOM 122 O OD1 . ASN A 0 15 . 13.107 -10.479 0.623 1.00 85.34 15 A 1 ATOM 123 N N . PHE A 0 16 . 11.138 -6.080 0.583 1.00 83.72 16 A 1 ATOM 124 C CA . PHE A 0 16 . 10.378 -5.418 -0.486 1.00 83.72 16 A 1 ATOM 125 C C . PHE A 0 16 . 11.102 -5.436 -1.835 1.00 83.72 16 A 1 ATOM 126 C CB . PHE A 0 16 . 10.025 -3.991 -0.065 1.00 83.72 16 A 1 ATOM 127 O O . PHE A 0 16 . 10.487 -5.794 -2.836 1.00 83.72 16 A 1 ATOM 128 C CG . PHE A 0 16 . 9.301 -3.178 -1.123 1.00 83.72 16 A 1 ATOM 129 C CD1 . PHE A 0 16 . 10.011 -2.272 -1.930 1.00 83.72 16 A 1 ATOM 130 C CD2 . PHE A 0 16 . 7.915 -3.330 -1.313 1.00 83.72 16 A 1 ATOM 131 C CE1 . PHE A 0 16 . 9.346 -1.481 -2.881 1.00 83.72 16 A 1 ATOM 132 C CE2 . PHE A 0 16 . 7.246 -2.546 -2.273 1.00 83.72 16 A 1 ATOM 133 C CZ . PHE A 0 16 . 7.958 -1.613 -3.048 1.00 83.72 16 A 1 ATOM 134 N N . ASP A 0 17 . 12.401 -5.117 -1.872 1.00 85.00 17 A 1 ATOM 135 C CA . ASP A 0 17 . 13.163 -5.123 -3.128 1.00 85.00 17 A 1 ATOM 136 C C . ASP A 0 17 . 13.171 -6.507 -3.789 1.00 85.00 17 A 1 ATOM 137 C CB . ASP A 0 17 . 14.602 -4.643 -2.898 1.00 85.00 17 A 1 ATOM 138 O O . ASP A 0 17 . 12.905 -6.617 -4.983 1.00 85.00 17 A 1 ATOM 139 C CG . ASP A 0 17 . 15.347 -4.543 -4.238 1.00 85.00 17 A 1 ATOM 140 O OD1 . ASP A 0 17 . 15.038 -3.613 -5.018 1.00 85.00 17 A 1 ATOM 141 O OD2 . ASP A 0 17 . 16.178 -5.425 -4.530 1.00 85.00 17 A 1 ATOM 142 N N . ALA A 0 18 . 13.385 -7.574 -3.014 1.00 85.13 18 A 1 ATOM 143 C CA . ALA A 0 18 . 13.423 -8.931 -3.549 1.00 85.13 18 A 1 ATOM 144 C C . ALA A 0 18 . 12.058 -9.375 -4.092 1.00 85.13 18 A 1 ATOM 145 C CB . ALA A 0 18 . 13.901 -9.880 -2.455 1.00 85.13 18 A 1 ATOM 146 O O . ALA A 0 18 . 11.995 -9.988 -5.157 1.00 85.13 18 A 1 ATOM 147 N N . VAL A 0 19 . 10.963 -9.041 -3.398 1.00 84.01 19 A 1 ATOM 148 C CA . VAL A 0 19 . 9.603 -9.334 -3.877 1.00 84.01 19 A 1 ATOM 149 C C . VAL A 0 19 . 9.310 -8.550 -5.154 1.00 84.01 19 A 1 ATOM 150 C CB . VAL A 0 19 . 8.553 -9.063 -2.783 1.00 84.01 19 A 1 ATOM 151 O O . VAL A 0 19 . 8.901 -9.141 -6.148 1.00 84.01 19 A 1 ATOM 152 C CG1 . VAL A 0 19 . 7.117 -9.224 -3.301 1.00 84.01 19 A 1 ATOM 153 C CG2 . VAL A 0 19 . 8.735 -10.059 -1.629 1.00 84.01 19 A 1 ATOM 154 N N . MET A 0 20 . 9.593 -7.246 -5.182 1.00 85.29 20 A 1 ATOM 155 C CA . MET A 0 20 . 9.398 -6.424 -6.381 1.00 85.29 20 A 1 ATOM 156 C C . MET A 0 20 . 10.275 -6.895 -7.551 1.00 85.29 20 A 1 ATOM 157 C CB . MET A 0 20 . 9.682 -4.954 -6.048 1.00 85.29 20 A 1 ATOM 158 O O . MET A 0 20 . 9.829 -6.897 -8.695 1.00 85.29 20 A 1 ATOM 159 C CG . MET A 0 20 . 8.658 -4.325 -5.102 1.00 85.29 20 A 1 ATOM 160 S SD . MET A 0 20 . 6.957 -4.282 -5.724 1.00 85.29 20 A 1 ATOM 161 C CE . MET A 0 20 . 6.143 -5.304 -4.468 1.00 85.29 20 A 1 ATOM 162 N N . SER A 0 21 . 11.498 -7.352 -7.273 1.00 88.21 21 A 1 ATOM 163 C CA . SER A 0 21 . 12.397 -7.935 -8.273 1.00 88.21 21 A 1 ATOM 164 C C . SER A 0 21 . 11.816 -9.219 -8.865 1.00 88.21 21 A 1 ATOM 165 C CB . SER A 0 21 . 13.770 -8.198 -7.644 1.00 88.21 21 A 1 ATOM 166 O O . SER A 0 21 . 11.752 -9.355 -10.085 1.00 88.21 21 A 1 ATOM 167 O OG . SER A 0 21 . 14.709 -8.549 -8.641 1.00 88.21 21 A 1 ATOM 168 N N . LYS A 0 22 . 11.294 -10.122 -8.021 1.00 85.55 22 A 1 ATOM 169 C CA . LYS A 0 22 . 10.600 -11.343 -8.466 1.00 85.55 22 A 1 ATOM 170 C C . LYS A 0 22 . 9.335 -11.050 -9.274 1.00 85.55 22 A 1 ATOM 171 C CB . LYS A 0 22 . 10.247 -12.222 -7.260 1.00 85.55 22 A 1 ATOM 172 O O . LYS A 0 22 . 9.010 -11.811 -10.176 1.00 85.55 22 A 1 ATOM 173 C CG . LYS A 0 22 . 11.466 -12.963 -6.700 1.00 85.55 22 A 1 ATOM 174 C CD . LYS A 0 22 . 11.032 -13.880 -5.551 1.00 85.55 22 A 1 ATOM 175 C CE . LYS A 0 22 . 12.225 -14.686 -5.031 1.00 85.55 22 A 1 ATOM 176 N NZ . LYS A 0 22 . 11.801 -15.687 -4.020 1.00 85.55 22 A 1 ATOM 177 N N . LEU A 0 23 . 8.649 -9.945 -8.982 1.00 83.23 23 A 1 ATOM 178 C CA . LEU A 0 23 . 7.491 -9.476 -9.748 1.00 83.23 23 A 1 ATOM 179 C C . LEU A 0 23 . 7.865 -8.793 -11.076 1.00 83.23 23 A 1 ATOM 180 C CB . LEU A 0 23 . 6.635 -8.554 -8.859 1.00 83.23 23 A 1 ATOM 181 O O . LEU A 0 23 . 6.968 -8.346 -11.790 1.00 83.23 23 A 1 ATOM 182 C CG . LEU A 0 23 . 5.936 -9.258 -7.682 1.00 83.23 23 A 1 ATOM 183 C CD1 . LEU A 0 23 . 5.233 -8.205 -6.825 1.00 83.23 23 A 1 ATOM 184 C CD2 . LEU A 0 23 . 4.898 -10.281 -8.143 1.00 83.23 23 A 1 ATOM 185 N N . GLY A 0 24 . 9.157 -8.694 -11.408 1.00 85.92 24 A 1 ATOM 186 C CA . GLY A 0 24 . 9.642 -8.089 -12.649 1.00 85.92 24 A 1 ATOM 187 C C . GLY A 0 24 . 9.685 -6.559 -12.635 1.00 85.92 24 A 1 ATOM 188 O O . GLY A 0 24 . 9.864 -5.944 -13.683 1.00 85.92 24 A 1 ATOM 189 N N . VAL A 0 25 . 9.536 -5.919 -11.470 1.00 85.37 25 A 1 ATOM 190 C CA . VAL A 0 25 . 9.586 -4.454 -11.356 1.00 85.37 25 A 1 ATOM 191 C C . VAL A 0 25 . 11.003 -3.966 -11.641 1.00 85.37 25 A 1 ATOM 192 C CB . VAL A 0 25 . 9.111 -3.976 -9.972 1.00 85.37 25 A 1 ATOM 193 O O . VAL A 0 25 . 11.964 -4.474 -11.058 1.00 85.37 25 A 1 ATOM 194 C CG1 . VAL A 0 25 . 9.164 -2.450 -9.836 1.00 85.37 25 A 1 ATOM 195 C CG2 . VAL A 0 25 . 7.669 -4.420 -9.697 1.00 85.37 25 A 1 ATOM 196 N N . SER A 0 26 . 11.141 -2.957 -12.508 1.00 89.49 26 A 1 ATOM 197 C CA . SER A 0 26 . 12.445 -2.427 -12.925 1.00 89.49 26 A 1 ATOM 198 C C . SER A 0 26 . 13.283 -1.942 -11.737 1.00 89.49 26 A 1 ATOM 199 C CB . SER A 0 26 . 12.290 -1.305 -13.962 1.00 89.49 26 A 1 ATOM 200 O O . SER A 0 26 . 12.752 -1.403 -10.765 1.00 89.49 26 A 1 ATOM 201 O OG . SER A 0 26 . 12.133 -0.032 -13.356 1.00 89.49 26 A 1 ATOM 202 N N . TRP A 0 27 . 14.608 -2.084 -11.828 1.00 88.81 27 A 1 ATOM 203 C CA . TRP A 0 27 . 15.522 -1.679 -10.755 1.00 88.81 27 A 1 ATOM 204 C C . TRP A 0 27 . 15.327 -0.212 -10.334 1.00 88.81 27 A 1 ATOM 205 C CB . TRP A 0 27 . 16.961 -1.951 -11.205 1.00 88.81 27 A 1 ATOM 206 O O . TRP A 0 27 . 15.232 0.068 -9.141 1.00 88.81 27 A 1 ATOM 207 C CG . TRP A 0 27 . 18.002 -1.557 -10.207 1.00 88.81 27 A 1 ATOM 208 C CD1 . TRP A 0 27 . 18.475 -2.333 -9.206 1.00 88.81 27 A 1 ATOM 209 C CD2 . TRP A 0 27 . 18.699 -0.279 -10.086 1.00 88.81 27 A 1 ATOM 210 C CE2 . TRP A 0 27 . 19.583 -0.355 -8.968 1.00 88.81 27 A 1 ATOM 211 C CE3 . TRP A 0 27 . 18.673 0.936 -10.806 1.00 88.81 27 A 1 ATOM 212 N NE1 . TRP A 0 27 . 19.408 -1.627 -8.472 1.00 88.81 27 A 1 ATOM 213 C CH2 . TRP A 0 27 . 20.348 1.912 -9.317 1.00 88.81 27 A 1 ATOM 214 C CZ2 . TRP A 0 27 . 20.397 0.717 -8.580 1.00 88.81 27 A 1 ATOM 215 C CZ3 . TRP A 0 27 . 19.488 2.020 -10.424 1.00 88.81 27 A 1 ATOM 216 N N . ALA A 0 28 . 15.162 0.707 -11.295 1.00 88.69 28 A 1 ATOM 217 C CA . ALA A 0 28 . 14.936 2.127 -11.017 1.00 88.69 28 A 1 ATOM 218 C C . ALA A 0 28 . 13.636 2.369 -10.228 1.00 88.69 28 A 1 ATOM 219 C CB . ALA A 0 28 . 14.932 2.884 -12.351 1.00 88.69 28 A 1 ATOM 220 O O . ALA A 0 28 . 13.630 3.102 -9.239 1.00 88.69 28 A 1 ATOM 221 N N . THR A 0 29 . 12.542 1.697 -10.604 1.00 84.74 29 A 1 ATOM 222 C CA . THR A 0 29 . 11.266 1.771 -9.875 1.00 84.74 29 A 1 ATOM 223 C C . THR A 0 29 . 11.397 1.224 -8.453 1.00 84.74 29 A 1 ATOM 224 C CB . THR A 0 29 . 10.170 0.995 -10.619 1.00 84.74 29 A 1 ATOM 225 O O . THR A 0 29 . 10.822 1.794 -7.526 1.00 84.74 29 A 1 ATOM 226 C CG2 . THR A 0 29 . 8.781 1.180 -10.009 1.00 84.74 29 A 1 ATOM 227 O OG1 . THR A 0 29 . 10.087 1.402 -11.967 1.00 84.74 29 A 1 ATOM 228 N N . ARG A 0 30 . 12.180 0.155 -8.247 1.00 87.79 30 A 1 ATOM 229 C CA . ARG A 0 30 . 12.413 -0.406 -6.907 1.00 87.79 30 A 1 ATOM 230 C C . ARG A 0 30 . 13.222 0.528 -6.014 1.00 87.79 30 A 1 ATOM 231 C CB . ARG A 0 30 . 13.106 -1.770 -6.973 1.00 87.79 30 A 1 ATOM 232 O O . ARG A 0 30 . 12.874 0.673 -4.846 1.00 87.79 30 A 1 ATOM 233 C CG . ARG A 0 30 . 12.286 -2.823 -7.725 1.00 87.79 30 A 1 ATOM 234 C CD . ARG A 0 30 . 12.822 -4.239 -7.523 1.00 87.79 30 A 1 ATOM 235 N NE . ARG A 0 30 . 14.266 -4.355 -7.764 1.00 87.79 30 A 1 ATOM 236 N NH1 . ARG A 0 30 . 14.226 -5.374 -9.841 1.00 87.79 30 A 1 ATOM 237 N NH2 . ARG A 0 30 . 16.126 -5.214 -8.712 1.00 87.79 30 A 1 ATOM 238 C CZ . ARG A 0 30 . 14.853 -4.968 -8.774 1.00 87.79 30 A 1 ATOM 239 N N . GLN A 0 31 . 14.246 1.195 -6.554 1.00 86.61 31 A 1 ATOM 240 C CA . GLN A 0 31 . 15.024 2.187 -5.802 1.00 86.61 31 A 1 ATOM 241 C C . GLN A 0 31 . 14.122 3.302 -5.273 1.00 86.61 31 A 1 ATOM 242 C CB . GLN A 0 31 . 16.151 2.778 -6.665 1.00 86.61 31 A 1 ATOM 243 O O . GLN A 0 31 . 14.126 3.574 -4.075 1.00 86.61 31 A 1 ATOM 244 C CG . GLN A 0 31 . 17.285 1.787 -6.962 1.00 86.61 31 A 1 ATOM 245 C CD . GLN A 0 31 . 17.889 1.203 -5.691 1.00 86.61 31 A 1 ATOM 246 N NE2 . GLN A 0 31 . 17.834 -0.097 -5.499 1.00 86.61 31 A 1 ATOM 247 O OE1 . GLN A 0 31 . 18.369 1.904 -4.821 1.00 86.61 31 A 1 ATOM 248 N N . ILE A 0 32 . 13.265 3.862 -6.131 1.00 84.44 32 A 1 ATOM 249 C CA . ILE A 0 32 . 12.279 4.859 -5.706 1.00 84.44 32 A 1 ATOM 250 C C . ILE A 0 32 . 11.349 4.244 -4.653 1.00 84.44 32 A 1 ATOM 251 C CB . ILE A 0 32 . 11.512 5.426 -6.921 1.00 84.44 32 A 1 ATOM 252 O O . ILE A 0 32 . 11.227 4.780 -3.556 1.00 84.44 32 A 1 ATOM 253 C CG1 . ILE A 0 32 . 12.488 6.141 -7.886 1.00 84.44 32 A 1 ATOM 254 C CG2 . ILE A 0 32 . 10.411 6.399 -6.453 1.00 84.44 32 A 1 ATOM 255 C CD1 . ILE A 0 32 . 11.874 6.483 -9.250 1.00 84.44 32 A 1 ATOM 256 N N . GLY A 0 33 . 10.762 3.076 -4.926 1.00 83.39 33 A 1 ATOM 257 C CA . GLY A 0 33 . 9.821 2.410 -4.020 1.00 83.39 33 A 1 ATOM 258 C C . GLY A 0 33 . 10.369 2.097 -2.621 1.00 83.39 33 A 1 ATOM 259 O O . GLY A 0 33 . 9.598 2.114 -1.663 1.00 83.39 33 A 1 ATOM 260 N N . ASN A 0 34 . 11.677 1.855 -2.484 1.00 82.03 34 A 1 ATOM 261 C CA . ASN A 0 34 . 12.343 1.666 -1.189 1.00 82.03 34 A 1 ATOM 262 C C . ASN A 0 34 . 12.480 2.969 -0.386 1.00 82.03 34 A 1 ATOM 263 C CB . ASN A 0 34 . 13.729 1.039 -1.420 1.00 82.03 34 A 1 ATOM 264 O O . ASN A 0 34 . 12.519 2.928 0.840 1.00 82.03 34 A 1 ATOM 265 C CG . ASN A 0 34 . 13.673 -0.453 -1.684 1.00 82.03 34 A 1 ATOM 266 N ND2 . ASN A 0 34 . 14.406 -0.933 -2.661 1.00 82.03 34 A 1 ATOM 267 O OD1 . ASN A 0 34 . 12.994 -1.204 -1.002 1.00 82.03 34 A 1 ATOM 268 N N . THR A 0 35 . 12.548 4.120 -1.058 1.00 80.60 35 A 1 ATOM 269 C CA . THR A 0 35 . 12.680 5.436 -0.403 1.00 80.60 35 A 1 ATOM 270 C C . THR A 0 35 . 11.340 6.048 0.000 1.00 80.60 35 A 1 ATOM 271 C CB . THR A 0 35 . 13.450 6.430 -1.283 1.00 80.60 35 A 1 ATOM 272 O O . THR A 0 35 . 11.283 6.928 0.860 1.00 80.60 35 A 1 ATOM 273 C CG2 . THR A 0 35 . 14.850 5.922 -1.629 1.00 80.60 35 A 1 ATOM 274 O OG1 . THR A 0 35 . 12.758 6.731 -2.477 1.00 80.60 35 A 1 ATOM 275 N N . VAL A 0 36 . 10.243 5.587 -0.602 1.00 83.18 36 A 1 ATOM 276 C CA . VAL A 0 36 . 8.909 6.129 -0.345 1.00 83.18 36 A 1 ATOM 277 C C . VAL A 0 36 . 8.323 5.530 0.927 1.00 83.18 36 A 1 ATOM 278 C CB . VAL A 0 36 . 7.978 5.931 -1.552 1.00 83.18 36 A 1 ATOM 279 O O . VAL A 0 36 . 8.208 4.315 1.069 1.00 83.18 36 A 1 ATOM 280 C CG1 . VAL A 0 36 . 6.597 6.545 -1.304 1.00 83.18 36 A 1 ATOM 281 C CG2 . VAL A 0 36 . 8.536 6.676 -2.761 1.00 83.18 36 A 1 ATOM 282 N N . THR A 0 37 . 7.867 6.400 1.827 1.00 83.08 37 A 1 ATOM 283 C CA . THR A 0 37 . 7.130 6.033 3.044 1.00 83.08 37 A 1 ATOM 284 C C . THR A 0 37 . 5.659 6.433 2.897 1.00 83.08 37 A 1 ATOM 285 C CB . THR A 0 37 . 7.783 6.626 4.305 1.00 83.08 37 A 1 ATOM 286 O O . THR A 0 37 . 5.250 7.495 3.372 1.00 83.08 37 A 1 ATOM 287 C CG2 . THR A 0 37 . 9.106 5.929 4.611 1.00 83.08 37 A 1 ATOM 288 O OG1 . THR A 0 37 . 8.084 7.998 4.167 1.00 83.08 37 A 1 ATOM 289 N N . PRO A 0 38 . 4.844 5.633 2.180 1.00 85.83 38 A 1 ATOM 290 C CA . PRO A 0 38 . 3.467 6.000 1.907 1.00 85.83 38 A 1 ATOM 291 C C . PRO A 0 38 . 2.639 6.002 3.190 1.00 85.83 38 A 1 ATOM 292 C CB . PRO A 0 38 . 2.950 4.975 0.898 1.00 85.83 38 A 1 ATOM 293 O O . PRO A 0 38 . 2.895 5.250 4.138 1.00 85.83 38 A 1 ATOM 294 C CG . PRO A 0 38 . 3.744 3.722 1.258 1.00 85.83 38 A 1 ATOM 295 C CD . PRO A 0 38 . 5.101 4.291 1.671 1.00 85.83 38 A 1 ATOM 296 N N . THR A 0 39 . 1.608 6.833 3.181 1.00 89.58 39 A 1 ATOM 297 C CA . THR A 0 39 . 0.547 6.797 4.178 1.00 89.58 39 A 1 ATOM 298 C C . THR A 0 39 . -0.666 6.115 3.572 1.00 89.58 39 A 1 ATOM 299 C CB . THR A 0 39 . 0.221 8.197 4.688 1.00 89.58 39 A 1 ATOM 300 O O . THR A 0 39 . -1.104 6.482 2.490 1.00 89.58 39 A 1 ATOM 301 C CG2 . THR A 0 39 . -0.718 8.129 5.880 1.00 89.58 39 A 1 ATOM 302 O OG1 . THR A 0 39 . 1.402 8.817 5.149 1.00 89.58 39 A 1 ATOM 303 N N . VAL A 0 40 . -1.197 5.106 4.246 1.00 90.39 40 A 1 ATOM 304 C CA . VAL A 0 40 . -2.372 4.355 3.822 1.00 90.39 40 A 1 ATOM 305 C C . VAL A 0 40 . -3.522 4.689 4.757 1.00 90.39 40 A 1 ATOM 306 C CB . VAL A 0 40 . -2.094 2.847 3.783 1.00 90.39 40 A 1 ATOM 307 O O . VAL A 0 40 . -3.384 4.587 5.973 1.00 90.39 40 A 1 ATOM 308 C CG1 . VAL A 0 40 . -3.327 2.104 3.272 1.00 90.39 40 A 1 ATOM 309 C CG2 . VAL A 0 40 . -0.923 2.518 2.844 1.00 90.39 40 A 1 ATOM 310 N N . THR A 0 41 . -4.657 5.083 4.201 1.00 90.29 41 A 1 ATOM 311 C CA . THR A 0 41 . -5.890 5.296 4.954 1.00 90.29 41 A 1 ATOM 312 C C . THR A 0 41 . -6.897 4.231 4.561 1.00 90.29 41 A 1 ATOM 313 C CB . THR A 0 41 . -6.455 6.704 4.741 1.00 90.29 41 A 1 ATOM 314 O O . THR A 0 41 . -7.191 4.078 3.376 1.00 90.29 41 A 1 ATOM 315 C CG2 . THR A 0 41 . -7.604 7.004 5.701 1.00 90.29 41 A 1 ATOM 316 O OG1 . THR A 0 41 . -5.451 7.672 4.974 1.00 90.29 41 A 1 ATOM 317 N N . PHE A 0 42 . -7.423 3.511 5.549 1.00 89.87 42 A 1 ATOM 318 C CA . PHE A 0 42 . -8.503 2.551 5.348 1.00 89.87 42 A 1 ATOM 319 C C . PHE A 0 42 . -9.820 3.140 5.844 1.00 89.87 42 A 1 ATOM 320 C CB . PHE A 0 42 . -8.185 1.223 6.039 1.00 89.87 42 A 1 ATOM 321 O O . PHE A 0 42 . -9.936 3.533 7.009 1.00 89.87 42 A 1 ATOM 322 C CG . PHE A 0 42 . -6.994 0.495 5.452 1.00 89.87 42 A 1 ATOM 323 C CD1 . PHE A 0 42 . -7.126 -0.208 4.239 1.00 89.87 42 A 1 ATOM 324 C CD2 . PHE A 0 42 . -5.758 0.507 6.124 1.00 89.87 42 A 1 ATOM 325 C CE1 . PHE A 0 42 . -6.027 -0.906 3.708 1.00 89.87 42 A 1 ATOM 326 C CE2 . PHE A 0 42 . -4.657 -0.183 5.588 1.00 89.87 42 A 1 ATOM 327 C CZ . PHE A 0 42 . -4.794 -0.893 4.382 1.00 89.87 42 A 1 ATOM 328 N N . THR A 0 43 . -10.815 3.172 4.963 1.00 90.70 43 A 1 ATOM 329 C CA . THR A 0 43 . -12.204 3.518 5.280 1.00 90.70 43 A 1 ATOM 330 C C . THR A 0 43 . -13.126 2.384 4.851 1.00 90.70 43 A 1 ATOM 331 C CB . THR A 0 43 . -12.637 4.852 4.654 1.00 90.70 43 A 1 ATOM 332 O O . THR A 0 43 . -12.761 1.559 4.013 1.00 90.70 43 A 1 ATOM 333 C CG2 . THR A 0 43 . -11.746 6.014 5.090 1.00 90.70 43 A 1 ATOM 334 O OG1 . THR A 0 43 . -12.586 4.798 3.253 1.00 90.70 43 A 1 ATOM 335 N N . MET A 0 44 . -14.310 2.301 5.451 1.00 87.52 44 A 1 ATOM 336 C CA . MET A 0 44 . -15.281 1.257 5.140 1.00 87.52 44 A 1 ATOM 337 C C . MET A 0 44 . -16.683 1.853 5.110 1.00 87.52 44 A 1 ATOM 338 C CB . MET A 0 44 . -15.133 0.116 6.151 1.00 87.52 44 A 1 ATOM 339 O O . MET A 0 44 . -17.046 2.604 6.014 1.00 87.52 44 A 1 ATOM 340 C CG . MET A 0 44 . -15.946 -1.141 5.830 1.00 87.52 44 A 1 ATOM 341 S SD . MET A 0 44 . -15.583 -2.513 6.969 1.00 87.52 44 A 1 ATOM 342 C CE . MET A 0 44 . -16.450 -1.919 8.444 1.00 87.52 44 A 1 ATOM 343 N N . ASP A 0 45 . -17.437 1.509 4.072 1.00 87.94 45 A 1 ATOM 344 C CA . ASP A 0 45 . -18.848 1.844 3.901 1.00 87.94 45 A 1 ATOM 345 C C . ASP A 0 45 . -19.618 0.548 3.631 1.00 87.94 45 A 1 ATOM 346 C CB . ASP A 0 45 . -19.018 2.868 2.769 1.00 87.94 45 A 1 ATOM 347 O O . ASP A 0 45 . -19.446 -0.092 2.590 1.00 87.94 45 A 1 ATOM 348 C CG . ASP A 0 45 . -20.487 3.251 2.560 1.00 87.94 45 A 1 ATOM 349 O OD1 . ASP A 0 45 . -21.268 3.105 3.528 1.00 87.94 45 A 1 ATOM 350 O OD2 . ASP A 0 45 . -20.805 3.692 1.433 1.00 87.94 45 A 1 ATOM 351 N N . GLY A 0 46 . -20.392 0.103 4.623 1.00 87.39 46 A 1 ATOM 352 C CA . GLY A 0 46 . -21.003 -1.225 4.621 1.00 87.39 46 A 1 ATOM 353 C C . GLY A 0 46 . -19.956 -2.339 4.505 1.00 87.39 46 A 1 ATOM 354 O O . GLY A 0 46 . -19.146 -2.538 5.409 1.00 87.39 46 A 1 ATOM 355 N N . ASP A 0 47 . -19.988 -3.065 3.387 1.00 84.43 47 A 1 ATOM 356 C CA . ASP A 0 47 . -19.081 -4.167 3.043 1.00 84.43 47 A 1 ATOM 357 C C . ASP A 0 47 . -17.917 -3.750 2.123 1.00 84.43 47 A 1 ATOM 358 C CB . ASP A 0 47 . -19.910 -5.313 2.433 1.00 84.43 47 A 1 ATOM 359 O O . ASP A 0 47 . -17.038 -4.563 1.824 1.00 84.43 47 A 1 ATOM 360 C CG . ASP A 0 47 . -20.610 -4.975 1.105 1.00 84.43 47 A 1 ATOM 361 O OD1 . ASP A 0 47 . -20.638 -3.796 0.683 1.00 84.43 47 A 1 ATOM 362 O OD2 . ASP A 0 47 . -21.135 -5.908 0.458 1.00 84.43 47 A 1 ATOM 363 N N . LYS A 0 48 . -17.882 -2.486 1.681 1.00 85.91 48 A 1 ATOM 364 C CA . LYS A 0 48 . -16.839 -1.952 0.799 1.00 85.91 48 A 1 ATOM 365 C C . LYS A 0 48 . -15.737 -1.307 1.620 1.00 85.91 48 A 1 ATOM 366 C CB . LYS A 0 48 . -17.436 -0.942 -0.188 1.00 85.91 48 A 1 ATOM 367 O O . LYS A 0 48 . -15.978 -0.342 2.345 1.00 85.91 48 A 1 ATOM 368 C CG . LYS A 0 48 . -18.444 -1.593 -1.139 1.00 85.91 48 A 1 ATOM 369 C CD . LYS A 0 48 . -19.016 -0.542 -2.089 1.00 85.91 48 A 1 ATOM 370 C CE . LYS A 0 48 . -20.084 -1.184 -2.973 1.00 85.91 48 A 1 ATOM 371 N NZ . LYS A 0 48 . -20.734 -0.167 -3.832 1.00 85.91 48 A 1 ATOM 372 N N . MET A 0 49 . -14.508 -1.783 1.456 1.00 85.63 49 A 1 ATOM 373 C CA . MET A 0 49 . -13.323 -1.153 2.024 1.00 85.63 49 A 1 ATOM 374 C C . MET A 0 49 . -12.628 -0.303 0.966 1.00 85.63 49 A 1 ATOM 375 C CB . MET A 0 49 . -12.392 -2.207 2.631 1.00 85.63 49 A 1 ATOM 376 O O . MET A 0 49 . -12.407 -0.753 -0.154 1.00 85.63 49 A 1 ATOM 377 C CG . MET A 0 49 . -11.329 -1.519 3.499 1.00 85.63 49 A 1 ATOM 378 S SD . MET A 0 49 . -10.316 -2.617 4.521 1.00 85.63 49 A 1 ATOM 379 C CE . MET A 0 49 . -9.372 -3.391 3.200 1.00 85.63 49 A 1 ATOM 380 N N . THR A 0 50 . -12.257 0.922 1.325 1.00 88.43 50 A 1 ATOM 381 C CA . THR A 0 50 . -11.437 1.798 0.489 1.00 88.43 50 A 1 ATOM 382 C C . THR A 0 50 . -10.067 1.974 1.122 1.00 88.43 50 A 1 ATOM 383 C CB . THR A 0 50 . -12.123 3.141 0.227 1.00 88.43 50 A 1 ATOM 384 O O . THR A 0 50 . -9.944 2.380 2.276 1.00 88.43 50 A 1 ATOM 385 C CG2 . THR A 0 50 . -11.304 4.059 -0.681 1.00 88.43 50 A 1 ATOM 386 O OG1 . THR A 0 50 . -13.354 2.908 -0.420 1.00 88.43 50 A 1 ATOM 387 N N . MET A 0 51 . -9.033 1.672 0.347 1.00 88.23 51 A 1 ATOM 388 C CA . MET A 0 51 . -7.633 1.906 0.661 1.00 88.23 51 A 1 ATOM 389 C C . MET A 0 51 . -7.147 3.108 -0.147 1.00 88.23 51 A 1 ATOM 390 C CB . MET A 0 51 . -6.838 0.636 0.333 1.00 88.23 51 A 1 ATOM 391 O O . MET A 0 51 . -7.021 3.041 -1.369 1.00 88.23 51 A 1 ATOM 392 C CG . MET A 0 51 . -5.355 0.770 0.689 1.00 88.23 51 A 1 ATOM 393 S SD . MET A 0 51 . -4.386 -0.670 0.172 1.00 88.23 51 A 1 ATOM 394 C CE . MET A 0 51 . -2.718 -0.191 0.687 1.00 88.23 51 A 1 ATOM 395 N N . LEU A 0 52 . -6.843 4.205 0.538 1.00 88.34 52 A 1 ATOM 396 C CA . LEU A 0 52 . -6.191 5.372 -0.046 1.00 88.34 52 A 1 ATOM 397 C C . LEU A 0 52 . -4.705 5.335 0.303 1.00 88.34 52 A 1 ATOM 398 C CB . LEU A 0 52 . -6.888 6.642 0.464 1.00 88.34 52 A 1 ATOM 399 O O . LEU A 0 52 . -4.341 5.484 1.464 1.00 88.34 52 A 1 ATOM 400 C CG . LEU A 0 52 . -6.232 7.946 -0.025 1.00 88.34 52 A 1 ATOM 401 C CD1 . LEU A 0 52 . -6.387 8.142 -1.534 1.00 88.34 52 A 1 ATOM 402 C CD2 . LEU A 0 52 . -6.857 9.139 0.693 1.00 88.34 52 A 1 ATOM 403 N N . THR A 0 53 . -3.848 5.156 -0.695 1.00 86.60 53 A 1 ATOM 404 C CA . THR A 0 53 . -2.393 5.234 -0.552 1.00 86.60 53 A 1 ATOM 405 C C . THR A 0 53 . -1.918 6.598 -1.020 1.00 86.60 53 A 1 ATOM 406 C CB . THR A 0 53 . -1.696 4.129 -1.350 1.00 86.60 53 A 1 ATOM 407 O O . THR A 0 53 . -2.058 6.934 -2.192 1.00 86.60 53 A 1 ATOM 408 C CG2 . THR A 0 53 . -0.187 4.102 -1.106 1.00 86.60 53 A 1 ATOM 409 O OG1 . THR A 0 53 . -2.183 2.877 -0.938 1.00 86.60 53 A 1 ATOM 410 N N . GLU A 0 54 . -1.327 7.365 -0.114 1.00 88.15 54 A 1 ATOM 411 C CA . GLU A 0 54 . -0.766 8.686 -0.364 1.00 88.15 54 A 1 ATOM 412 C C . GLU A 0 54 . 0.761 8.640 -0.279 1.00 88.15 54 A 1 ATOM 413 C CB . GLU A 0 54 . -1.326 9.723 0.623 1.00 88.15 54 A 1 ATOM 414 O O . GLU A 0 54 . 1.332 8.103 0.675 1.00 88.15 54 A 1 ATOM 415 C CG . GLU A 0 54 . -2.858 9.815 0.626 1.00 88.15 54 A 1 ATOM 416 C CD . GLU A 0 54 . -3.337 10.899 1.605 1.00 88.15 54 A 1 ATOM 417 O OE1 . GLU A 0 54 . -3.622 12.019 1.137 1.00 88.15 54 A 1 ATOM 418 O OE2 . GLU A 0 54 . -3.373 10.640 2.841 1.00 88.15 54 A 1 ATOM 419 N N . SER A 0 55 . 1.445 9.222 -1.257 1.00 80.21 55 A 1 ATOM 420 C CA . SER A 0 55 . 2.898 9.384 -1.232 1.00 80.21 55 A 1 ATOM 421 C C . SER A 0 55 . 3.318 10.643 -1.980 1.00 80.21 55 A 1 ATOM 422 C CB . SER A 0 55 . 3.588 8.152 -1.821 1.00 80.21 55 A 1 ATOM 423 O O . SER A 0 55 . 2.551 11.189 -2.766 1.00 80.21 55 A 1 ATOM 424 O OG . SER A 0 55 . 3.441 8.072 -3.225 1.00 80.21 55 A 1 ATOM 425 N N . THR A 0 56 . 4.563 11.086 -1.795 1.00 74.77 56 A 1 ATOM 426 C CA . THR A 0 56 . 5.110 12.236 -2.538 1.00 74.77 56 A 1 ATOM 427 C C . THR A 0 56 . 5.148 12.019 -4.051 1.00 74.77 56 A 1 ATOM 428 C CB . THR A 0 56 . 6.533 12.559 -2.063 1.00 74.77 56 A 1 ATOM 429 O O . THR A 0 56 . 5.219 12.988 -4.797 1.00 74.77 56 A 1 ATOM 430 C CG2 . THR A 0 56 . 6.542 13.104 -0.636 1.00 74.77 56 A 1 ATOM 431 O OG1 . THR A 0 56 . 7.321 11.387 -2.064 1.00 74.77 56 A 1 ATOM 432 N N . PHE A 0 57 . 5.115 10.766 -4.512 1.00 72.60 57 A 1 ATOM 433 C CA . PHE A 0 57 . 5.241 10.422 -5.928 1.00 72.60 57 A 1 ATOM 434 C C . PHE A 0 57 . 3.897 10.132 -6.597 1.00 72.60 57 A 1 ATOM 435 C CB . PHE A 0 57 . 6.186 9.222 -6.062 1.00 72.60 57 A 1 ATOM 436 O O . PHE A 0 57 . 3.711 10.462 -7.765 1.00 72.60 57 A 1 ATOM 437 C CG . PHE A 0 57 . 7.621 9.544 -5.702 1.00 72.60 57 A 1 ATOM 438 C CD1 . PHE A 0 57 . 8.508 10.007 -6.690 1.00 72.60 57 A 1 ATOM 439 C CD2 . PHE A 0 57 . 8.067 9.414 -4.376 1.00 72.60 57 A 1 ATOM 440 C CE1 . PHE A 0 57 . 9.840 10.308 -6.358 1.00 72.60 57 A 1 ATOM 441 C CE2 . PHE A 0 57 . 9.402 9.713 -4.044 1.00 72.60 57 A 1 ATOM 442 C CZ . PHE A 0 57 . 10.291 10.150 -5.037 1.00 72.60 57 A 1 ATOM 443 N N . LYS A 0 58 . 2.969 9.476 -5.893 1.00 72.82 58 A 1 ATOM 444 C CA . LYS A 0 58 . 1.673 9.075 -6.451 1.00 72.82 58 A 1 ATOM 445 C C . LYS A 0 58 . 0.660 8.806 -5.347 1.00 72.82 58 A 1 ATOM 446 C CB . LYS A 0 58 . 1.868 7.823 -7.330 1.00 72.82 58 A 1 ATOM 447 O O . LYS A 0 58 . 0.988 8.143 -4.360 1.00 72.82 58 A 1 ATOM 448 C CG . LYS A 0 58 . 0.720 7.612 -8.328 1.00 72.82 58 A 1 ATOM 449 C CD . LYS A 0 58 . 1.015 6.398 -9.221 1.00 72.82 58 A 1 ATOM 450 C CE . LYS A 0 58 . -0.020 6.279 -10.344 1.00 72.82 58 A 1 ATOM 451 N NZ . LYS A 0 58 . 0.176 5.037 -11.140 1.00 72.82 58 A 1 ATOM 452 N N . ASN A 0 59 . -0.575 9.240 -5.582 1.00 83.23 59 A 1 ATOM 453 C CA . ASN A 0 59 . -1.726 8.884 -4.763 1.00 83.23 59 A 1 ATOM 454 C C . ASN A 0 59 . -2.623 7.928 -5.548 1.00 83.23 59 A 1 ATOM 455 C CB . ASN A 0 59 . -2.459 10.150 -4.296 1.00 83.23 59 A 1 ATOM 456 O O . ASN A 0 59 . -2.850 8.124 -6.743 1.00 83.23 59 A 1 ATOM 457 C CG . ASN A 0 59 . -1.593 11.050 -3.433 1.00 83.23 59 A 1 ATOM 458 N ND2 . ASN A 0 59 . -1.981 12.288 -3.260 1.00 83.23 59 A 1 ATOM 459 O OD1 . ASN A 0 59 . -0.565 10.662 -2.902 1.00 83.23 59 A 1 ATOM 460 N N . LEU A 0 60 . -3.099 6.879 -4.888 1.00 84.89 60 A 1 ATOM 461 C CA . LEU A 0 60 . -3.950 5.852 -5.477 1.00 84.89 60 A 1 ATOM 462 C C . LEU A 0 60 . -5.050 5.493 -4.486 1.00 84.89 60 A 1 ATOM 463 C CB . LEU A 0 60 . -3.107 4.609 -5.822 1.00 84.89 60 A 1 ATOM 464 O O . LEU A 0 60 . -4.765 5.245 -3.317 1.00 84.89 60 A 1 ATOM 465 C CG . LEU A 0 60 . -2.133 4.785 -7.002 1.00 84.89 60 A 1 ATOM 466 C CD1 . LEU A 0 60 . -1.245 3.547 -7.136 1.00 84.89 60 A 1 ATOM 467 C CD2 . LEU A 0 60 . -2.878 4.982 -8.325 1.00 84.89 60 A 1 ATOM 468 N N . SER A 0 61 . -6.292 5.432 -4.954 1.00 84.12 61 A 1 ATOM 469 C CA . SER A 0 61 . -7.412 4.880 -4.196 1.00 84.12 61 A 1 ATOM 470 C C . SER A 0 61 . -7.862 3.568 -4.824 1.00 84.12 61 A 1 ATOM 471 C CB . SER A 0 61 . -8.575 5.871 -4.120 1.00 84.12 61 A 1 ATOM 472 O O . SER A 0 61 . -8.020 3.490 -6.041 1.00 84.12 61 A 1 ATOM 473 O OG . SER A 0 61 . -9.041 6.199 -5.414 1.00 84.12 61 A 1 ATOM 474 N N . CYS A 0 62 . -8.106 2.563 -3.994 1.00 83.03 62 A 1 ATOM 475 C CA . CYS A 0 62 . -8.672 1.285 -4.398 1.00 83.03 62 A 1 ATOM 476 C C . CYS A 0 62 . -9.847 0.955 -3.480 1.00 83.03 62 A 1 ATOM 477 C CB . CYS A 0 62 . -7.572 0.223 -4.334 1.00 83.03 62 A 1 ATOM 478 O O . CYS A 0 62 . -9.699 1.022 -2.261 1.00 83.03 62 A 1 ATOM 479 S SG . CYS A 0 62 . -8.259 -1.354 -4.897 1.00 83.03 62 A 1 ATOM 480 N N . THR A 0 63 . -10.996 0.606 -4.050 1.00 85.40 63 A 1 ATOM 481 C CA . THR A 0 63 . -12.178 0.183 -3.295 1.00 85.40 63 A 1 ATOM 482 C C . THR A 0 63 . -12.509 -1.248 -3.674 1.00 85.40 63 A 1 ATOM 483 C CB . THR A 0 63 . -13.383 1.099 -3.539 1.00 85.40 63 A 1 ATOM 484 O O . THR A 0 63 . -12.655 -1.550 -4.855 1.00 85.40 63 A 1 ATOM 485 C CG2 . THR A 0 63 . -14.601 0.703 -2.703 1.00 85.40 63 A 1 ATOM 486 O OG1 . THR A 0 63 . -13.063 2.432 -3.206 1.00 85.40 63 A 1 ATOM 487 N N . PHE A 0 64 . -12.639 -2.118 -2.681 1.00 81.91 64 A 1 ATOM 488 C CA . PHE A 0 64 . -12.880 -3.539 -2.888 1.00 81.91 64 A 1 ATOM 489 C C . PHE A 0 64 . -13.747 -4.126 -1.776 1.00 81.91 64 A 1 ATOM 490 C CB . PHE A 0 64 . -11.540 -4.275 -3.007 1.00 81.91 64 A 1 ATOM 491 O O . PHE A 0 64 . -13.921 -3.530 -0.710 1.00 81.91 64 A 1 ATOM 492 C CG . PHE A 0 64 . -10.637 -4.198 -1.790 1.00 81.91 64 A 1 ATOM 493 C CD1 . PHE A 0 64 . -9.735 -3.126 -1.649 1.00 81.91 64 A 1 ATOM 494 C CD2 . PHE A 0 64 . -10.646 -5.236 -0.839 1.00 81.91 64 A 1 ATOM 495 C CE1 . PHE A 0 64 . -8.809 -3.117 -0.594 1.00 81.91 64 A 1 ATOM 496 C CE2 . PHE A 0 64 . -9.718 -5.230 0.214 1.00 81.91 64 A 1 ATOM 497 C CZ . PHE A 0 64 . -8.777 -4.190 0.311 1.00 81.91 64 A 1 ATOM 498 N N . LYS A 0 65 . -14.287 -5.315 -2.035 1.00 82.27 65 A 1 ATOM 499 C CA . LYS A 0 65 . -14.950 -6.144 -1.032 1.00 82.27 65 A 1 ATOM 500 C C . LYS A 0 65 . -14.077 -7.350 -0.728 1.00 82.27 65 A 1 ATOM 501 C CB . LYS A 0 65 . -16.326 -6.580 -1.525 1.00 82.27 65 A 1 ATOM 502 O O . LYS A 0 65 . -13.437 -7.907 -1.617 1.00 82.27 65 A 1 ATOM 503 C CG . LYS A 0 65 . -17.291 -5.400 -1.702 1.00 82.27 65 A 1 ATOM 504 C CD . LYS A 0 65 . -18.661 -6.003 -1.976 1.00 82.27 65 A 1 ATOM 505 C CE . LYS A 0 65 . -19.764 -4.995 -2.236 1.00 82.27 65 A 1 ATOM 506 N NZ . LYS A 0 65 . -21.030 -5.752 -2.236 1.00 82.27 65 A 1 ATOM 507 N N . PHE A 0 66 . -14.027 -7.749 0.537 1.00 75.77 66 A 1 ATOM 508 C CA . PHE A 0 66 . -13.264 -8.932 0.922 1.00 75.77 66 A 1 ATOM 509 C C . PHE A 0 66 . -13.874 -10.190 0.302 1.00 75.77 66 A 1 ATOM 510 C CB . PHE A 0 66 . -13.189 -9.042 2.445 1.00 75.77 66 A 1 ATOM 511 O O . PHE A 0 66 . -15.070 -10.425 0.437 1.00 75.77 66 A 1 ATOM 512 C CG . PHE A 0 66 . -12.190 -8.081 3.044 1.00 75.77 66 A 1 ATOM 513 C CD1 . PHE A 0 66 . -10.821 -8.407 3.011 1.00 75.77 66 A 1 ATOM 514 C CD2 . PHE A 0 66 . -12.615 -6.862 3.600 1.00 75.77 66 A 1 ATOM 515 C CE1 . PHE A 0 66 . -9.876 -7.523 3.551 1.00 75.77 66 A 1 ATOM 516 C CE2 . PHE A 0 66 . -11.668 -5.974 4.135 1.00 75.77 66 A 1 ATOM 517 C CZ . PHE A 0 66 . -10.302 -6.311 4.112 1.00 75.77 66 A 1 ATOM 518 N N . GLY A 0 67 . -13.036 -11.002 -0.344 1.00 73.94 67 A 1 ATOM 519 C CA . GLY A 0 67 . -13.454 -12.245 -0.997 1.00 73.94 67 A 1 ATOM 520 C C . GLY A 0 67 . -14.011 -12.082 -2.415 1.00 73.94 67 A 1 ATOM 521 O O . GLY A 0 67 . -14.318 -13.092 -3.039 1.00 73.94 67 A 1 ATOM 522 N N . GLU A 0 68 . -14.107 -10.859 -2.943 1.00 78.68 68 A 1 ATOM 523 C CA . GLU A 0 68 . -14.522 -10.612 -4.328 1.00 78.68 68 A 1 ATOM 524 C C . GLU A 0 68 . -13.321 -10.220 -5.204 1.00 78.68 68 A 1 ATOM 525 C CB . GLU A 0 68 . -15.641 -9.558 -4.395 1.00 78.68 68 A 1 ATOM 526 O O . GLU A 0 68 . -12.429 -9.486 -4.773 1.00 78.68 68 A 1 ATOM 527 C CG . GLU A 0 68 . -16.948 -10.017 -3.715 1.00 78.68 68 A 1 ATOM 528 C CD . GLU A 0 68 . -18.120 -9.029 -3.892 1.00 78.68 68 A 1 ATOM 529 O OE1 . GLU A 0 68 . -19.131 -9.154 -3.159 1.00 78.68 68 A 1 ATOM 530 O OE2 . GLU A 0 68 . -18.020 -8.095 -4.721 1.00 78.68 68 A 1 ATOM 531 N N . GLU A 0 69 . -13.299 -10.713 -6.444 1.00 76.02 69 A 1 ATOM 532 C CA . GLU A 0 69 . -12.322 -10.305 -7.456 1.00 76.02 69 A 1 ATOM 533 C C . GLU A 0 69 . -12.580 -8.868 -7.914 1.00 76.02 69 A 1 ATOM 534 C CB . GLU A 0 69 . -12.386 -11.232 -8.684 1.00 76.02 69 A 1 ATOM 535 O O . GLU A 0 69 . -13.709 -8.500 -8.240 1.00 76.02 69 A 1 ATOM 536 C CG . GLU A 0 69 . -11.651 -12.554 -8.453 1.00 76.02 69 A 1 ATOM 537 C CD . GLU A 0 69 . -11.648 -13.498 -9.663 1.00 76.02 69 A 1 ATOM 538 O OE1 . GLU A 0 69 . -11.056 -14.591 -9.525 1.00 76.02 69 A 1 ATOM 539 O OE2 . GLU A 0 69 . -12.169 -13.106 -10.736 1.00 76.02 69 A 1 ATOM 540 N N . PHE A 0 70 . -11.519 -8.071 -8.022 1.00 72.31 70 A 1 ATOM 541 C CA . PHE A 0 70 . -11.591 -6.738 -8.616 1.00 72.31 70 A 1 ATOM 542 C C . PHE A 0 70 . -10.441 -6.498 -9.592 1.00 72.31 70 A 1 ATOM 543 C CB . PHE A 0 70 . -11.666 -5.671 -7.518 1.00 72.31 70 A 1 ATOM 544 O O . PHE A 0 70 . -9.358 -7.073 -9.462 1.00 72.31 70 A 1 ATOM 545 C CG . PHE A 0 70 . -10.437 -5.577 -6.636 1.00 72.31 70 A 1 ATOM 546 C CD1 . PHE A 0 70 . -10.305 -6.419 -5.516 1.00 72.31 70 A 1 ATOM 547 C CD2 . PHE A 0 70 . -9.421 -4.651 -6.938 1.00 72.31 70 A 1 ATOM 548 C CE1 . PHE A 0 70 . -9.171 -6.326 -4.692 1.00 72.31 70 A 1 ATOM 549 C CE2 . PHE A 0 70 . -8.284 -4.564 -6.117 1.00 72.31 70 A 1 ATOM 550 C CZ . PHE A 0 70 . -8.161 -5.394 -4.989 1.00 72.31 70 A 1 ATOM 551 N N . ASP A 0 71 . -10.690 -5.641 -10.584 1.00 74.15 71 A 1 ATOM 552 C CA . ASP A 0 71 . -9.666 -5.216 -11.532 1.00 74.15 71 A 1 ATOM 553 C C . ASP A 0 71 . -8.789 -4.136 -10.882 1.00 74.15 71 A 1 ATOM 554 C CB . ASP A 0 71 . -10.307 -4.747 -12.850 1.00 74.15 71 A 1 ATOM 555 O O . ASP A 0 71 . -9.233 -3.023 -10.593 1.00 74.15 71 A 1 ATOM 556 C CG . ASP A 0 71 . -11.057 -5.871 -13.584 1.00 74.15 71 A 1 ATOM 557 O OD1 . ASP A 0 71 . -10.479 -6.962 -13.813 1.00 74.15 71 A 1 ATOM 558 O OD2 . ASP A 0 71 . -12.237 -5.666 -13.934 1.00 74.15 71 A 1 ATOM 559 N N . GLU A 0 72 . -7.523 -4.466 -10.648 1.00 72.53 72 A 1 ATOM 560 C CA . GLU A 0 72 . -6.511 -3.558 -10.127 1.00 72.53 72 A 1 ATOM 561 C C . GLU A 0 72 . -5.584 -3.117 -11.258 1.00 72.53 72 A 1 ATOM 562 C CB . GLU A 0 72 . -5.726 -4.228 -8.993 1.00 72.53 72 A 1 ATOM 563 O O . GLU A 0 72 . -5.017 -3.934 -11.989 1.00 72.53 72 A 1 ATOM 564 C CG . GLU A 0 72 . -4.759 -3.248 -8.305 1.00 72.53 72 A 1 ATOM 565 C CD . GLU A 0 72 . -3.872 -3.903 -7.235 1.00 72.53 72 A 1 ATOM 566 O OE1 . GLU A 0 72 . -2.947 -3.197 -6.768 1.00 72.53 72 A 1 ATOM 567 O OE2 . GLU A 0 72 . -4.105 -5.086 -6.892 1.00 72.53 72 A 1 ATOM 568 N N . LYS A 0 73 . -5.371 -1.803 -11.371 1.00 69.62 73 A 1 ATOM 569 C CA . LYS A 0 73 . -4.255 -1.274 -12.150 1.00 69.62 73 A 1 ATOM 570 C C . LYS A 0 73 . -3.073 -1.039 -11.225 1.00 69.62 73 A 1 ATOM 571 C CB . LYS A 0 73 . -4.676 -0.042 -12.948 1.00 69.62 73 A 1 ATOM 572 O O . LYS A 0 73 . -3.064 -0.084 -10.446 1.00 69.62 73 A 1 ATOM 573 C CG . LYS A 0 73 . -3.569 0.317 -13.947 1.00 69.62 73 A 1 ATOM 574 C CD . LYS A 0 73 . -4.073 1.372 -14.930 1.00 69.62 73 A 1 ATOM 575 C CE . LYS A 0 73 . -3.007 1.606 -15.999 1.00 69.62 73 A 1 ATOM 576 N NZ . LYS A 0 73 . -3.508 2.507 -17.063 1.00 69.62 73 A 1 ATOM 577 N N . THR A 0 74 . -2.073 -1.901 -11.331 1.00 70.51 74 A 1 ATOM 578 C CA . THR A 0 74 . -0.875 -1.842 -10.498 1.00 70.51 74 A 1 ATOM 579 C C . THR A 0 74 . -0.087 -0.553 -10.754 1.00 70.51 74 A 1 ATOM 580 C CB . THR A 0 74 . 0.006 -3.075 -10.720 1.00 70.51 74 A 1 ATOM 581 O O . THR A 0 74 . -0.241 0.129 -11.776 1.00 70.51 74 A 1 ATOM 582 C CG2 . THR A 0 74 . -0.705 -4.387 -10.403 1.00 70.51 74 A 1 ATOM 583 O OG1 . THR A 0 74 . 0.399 -3.119 -12.064 1.00 70.51 74 A 1 ATOM 584 N N . SER A 0 75 . 0.784 -0.178 -9.816 1.00 65.03 75 A 1 ATOM 585 C CA . SER A 0 75 . 1.569 1.062 -9.902 1.00 65.03 75 A 1 ATOM 586 C C . SER A 0 75 . 2.510 1.112 -11.114 1.00 65.03 75 A 1 ATOM 587 C CB . SER A 0 75 . 2.351 1.272 -8.604 1.00 65.03 75 A 1 ATOM 588 O O . SER A 0 75 . 2.765 2.206 -11.620 1.00 65.03 75 A 1 ATOM 589 O OG . SER A 0 75 . 3.149 0.141 -8.322 1.00 65.03 75 A 1 ATOM 590 N N . ASP A 0 76 . 2.951 -0.048 -11.607 1.00 66.30 76 A 1 ATOM 591 C CA . ASP A 0 76 . 3.739 -0.252 -12.830 1.00 66.30 76 A 1 ATOM 592 C C . ASP A 0 76 . 2.885 -0.372 -14.110 1.00 66.30 76 A 1 ATOM 593 C CB . ASP A 0 76 . 4.692 -1.453 -12.642 1.00 66.30 76 A 1 ATOM 594 O O . ASP A 0 76 . 3.430 -0.526 -15.198 1.00 66.30 76 A 1 ATOM 595 C CG . ASP A 0 76 . 3.988 -2.799 -12.438 1.00 66.30 76 A 1 ATOM 596 O OD1 . ASP A 0 76 . 2.857 -2.812 -11.921 1.00 66.30 76 A 1 ATOM 597 O OD2 . ASP A 0 76 . 4.571 -3.864 -12.724 1.00 66.30 76 A 1 ATOM 598 N N . GLY A 0 77 . 1.558 -0.239 -14.008 1.00 66.75 77 A 1 ATOM 599 C CA . GLY A 0 77 . 0.656 -0.072 -15.150 1.00 66.75 77 A 1 ATOM 600 C C . GLY A 0 77 . 0.040 -1.352 -15.714 1.00 66.75 77 A 1 ATOM 601 O O . GLY A 0 77 . -0.612 -1.275 -16.756 1.00 66.75 77 A 1 ATOM 602 N N . ARG A 0 78 . 0.201 -2.501 -15.048 1.00 72.57 78 A 1 ATOM 603 C CA . ARG A 0 78 . -0.449 -3.757 -15.440 1.00 72.57 78 A 1 ATOM 604 C C . ARG A 0 78 . -1.885 -3.793 -14.926 1.00 72.57 78 A 1 ATOM 605 C CB . ARG A 0 78 . 0.348 -4.968 -14.930 1.00 72.57 78 A 1 ATOM 606 O O . ARG A 0 78 . -2.170 -3.302 -13.838 1.00 72.57 78 A 1 ATOM 607 C CG . ARG A 0 78 . 1.744 -5.051 -15.564 1.00 72.57 78 A 1 ATOM 608 C CD . ARG A 0 78 . 2.528 -6.240 -15.003 1.00 72.57 78 A 1 ATOM 609 N NE . ARG A 0 78 . 3.005 -5.967 -13.641 1.00 72.57 78 A 1 ATOM 610 N NH1 . ARG A 0 78 . 3.170 -8.116 -12.835 1.00 72.57 78 A 1 ATOM 611 N NH2 . ARG A 0 78 . 3.898 -6.371 -11.631 1.00 72.57 78 A 1 ATOM 612 C CZ . ARG A 0 78 . 3.340 -6.829 -12.707 1.00 72.57 78 A 1 ATOM 613 N N . ASN A 0 79 . -2.773 -4.404 -15.702 1.00 72.51 79 A 1 ATOM 614 C CA . ASN A 0 79 . -4.121 -4.726 -15.248 1.00 72.51 79 A 1 ATOM 615 C C . ASN A 0 79 . -4.108 -6.164 -14.727 1.00 72.51 79 A 1 ATOM 616 C CB . ASN A 0 79 . -5.126 -4.537 -16.392 1.00 72.51 79 A 1 ATOM 617 O O . ASN A 0 79 . -3.753 -7.081 -15.470 1.00 72.51 79 A 1 ATOM 618 C CG . ASN A 0 79 . -5.328 -3.098 -16.841 1.00 72.51 79 A 1 ATOM 619 N ND2 . ASN A 0 79 . -6.271 -2.894 -17.731 1.00 72.51 79 A 1 ATOM 620 O OD1 . ASN A 0 79 . -4.672 -2.146 -16.439 1.00 72.51 79 A 1 ATOM 621 N N . VAL A 0 80 . -4.466 -6.354 -13.463 1.00 72.78 80 A 1 ATOM 622 C CA . VAL A 0 80 . -4.522 -7.663 -12.805 1.00 72.78 80 A 1 ATOM 623 C C . VAL A 0 80 . -5.876 -7.835 -12.125 1.00 72.78 80 A 1 ATOM 624 C CB . VAL A 0 80 . -3.353 -7.864 -11.816 1.00 72.78 80 A 1 ATOM 625 O O . VAL A 0 80 . -6.506 -6.851 -11.746 1.00 72.78 80 A 1 ATOM 626 C CG1 . VAL A 0 80 . -1.994 -7.767 -12.526 1.00 72.78 80 A 1 ATOM 627 C CG2 . VAL A 0 80 . -3.364 -6.872 -10.652 1.00 72.78 80 A 1 ATOM 628 N N . LYS A 0 81 . -6.328 -9.081 -11.970 1.00 69.69 81 A 1 ATOM 629 C CA . LYS A 0 81 . -7.426 -9.402 -11.054 1.00 69.69 81 A 1 ATOM 630 C C . LYS A 0 81 . -6.833 -9.740 -9.698 1.00 69.69 81 A 1 ATOM 631 C CB . LYS A 0 81 . -8.306 -10.539 -11.588 1.00 69.69 81 A 1 ATOM 632 O O . LYS A 0 81 . -5.990 -10.633 -9.611 1.00 69.69 81 A 1 ATOM 633 C CG . LYS A 0 81 . -9.167 -10.046 -12.754 1.00 69.69 81 A 1 ATOM 634 C CD . LYS A 0 81 . -10.223 -11.091 -13.140 1.00 69.69 81 A 1 ATOM 635 C CE . LYS A 0 81 . -11.123 -10.595 -14.278 1.00 69.69 81 A 1 ATOM 636 N NZ . LYS A 0 81 . -11.866 -9.366 -13.896 1.00 69.69 81 A 1 ATOM 637 N N . THR A 0 82 . -7.262 -9.025 -8.668 1.00 64.13 82 A 1 ATOM 638 C CA . THR A 0 82 . -6.752 -9.193 -7.307 1.00 64.13 82 A 1 ATOM 639 C C . THR A 0 82 . -7.847 -9.776 -6.418 1.00 64.13 82 A 1 ATOM 640 C CB . THR A 0 82 . -6.175 -7.869 -6.772 1.00 64.13 82 A 1 ATOM 641 O O . THR A 0 82 . -8.983 -9.305 -6.426 1.00 64.13 82 A 1 ATOM 642 C CG2 . THR A 0 82 . -5.624 -8.000 -5.352 1.00 64.13 82 A 1 ATOM 643 O OG1 . THR A 0 82 . -5.085 -7.480 -7.579 1.00 64.13 82 A 1 ATOM 644 N N . VAL A 0 83 . -7.492 -10.799 -5.636 1.00 65.16 83 A 1 ATOM 645 C CA . VAL A 0 83 . -8.298 -11.334 -4.528 1.00 65.16 83 A 1 ATOM 646 C C . VAL A 0 83 . -7.484 -11.191 -3.254 1.00 65.16 83 A 1 ATOM 647 C CB . VAL A 0 83 . -8.691 -12.812 -4.728 1.00 65.16 83 A 1 ATOM 648 O O . VAL A 0 83 . -6.335 -11.629 -3.187 1.00 65.16 83 A 1 ATOM 649 C CG1 . VAL A 0 83 . -9.545 -13.336 -3.563 1.00 65.16 83 A 1 ATOM 650 C CG2 . VAL A 0 83 . -9.509 -12.983 -5.999 1.00 65.16 83 A 1 ATOM 651 N N . THR A 0 84 . -8.063 -10.582 -2.223 1.00 62.50 84 A 1 ATOM 652 C CA . THR A 0 84 . -7.408 -10.494 -0.915 1.00 62.50 84 A 1 ATOM 653 C C . THR A 0 84 . -7.572 -11.816 -0.159 1.00 62.50 84 A 1 ATOM 654 C CB . THR A 0 84 . -7.942 -9.305 -0.102 1.00 62.50 84 A 1 ATOM 655 O O . THR A 0 84 . -8.637 -12.091 0.387 1.00 62.50 84 A 1 ATOM 656 C CG2 . THR A 0 84 . -7.029 -8.977 1.078 1.00 62.50 84 A 1 ATOM 657 O OG1 . THR A 0 84 . -8.009 -8.143 -0.897 1.00 62.50 84 A 1 ATOM 658 N N . VAL A 0 85 . -6.509 -12.626 -0.124 1.00 63.88 85 A 1 ATOM 659 C CA . VAL A 0 85 . -6.378 -13.854 0.686 1.00 63.88 85 A 1 ATOM 660 C C . VAL A 0 85 . -5.378 -13.646 1.828 1.00 63.88 85 A 1 ATOM 661 C CB . VAL A 0 85 . -6.011 -15.095 -0.162 1.00 63.88 85 A 1 ATOM 662 O O . VAL A 0 85 . -4.492 -12.801 1.739 1.00 63.88 85 A 1 ATOM 663 C CG1 . VAL A 0 85 . -7.281 -15.786 -0.665 1.00 63.88 85 A 1 ATOM 664 C CG2 . VAL A 0 85 . -5.102 -14.783 -1.358 1.00 63.88 85 A 1 ATOM 665 N N . GLY A 0 86 . -5.536 -14.396 2.922 1.00 57.52 86 A 1 ATOM 666 C CA . GLY A 0 86 . -4.765 -14.234 4.164 1.00 57.52 86 A 1 ATOM 667 C C . GLY A 0 86 . -3.298 -14.686 4.120 1.00 57.52 86 A 1 ATOM 668 O O . GLY A 0 86 . -2.640 -14.648 5.159 1.00 57.52 86 A 1 ATOM 669 N N . ASP A 0 87 . -2.778 -15.102 2.964 1.00 58.95 87 A 1 ATOM 670 C CA . ASP A 0 87 . -1.398 -15.576 2.833 1.00 58.95 87 A 1 ATOM 671 C C . ASP A 0 87 . -0.399 -14.415 2.706 1.00 58.95 87 A 1 ATOM 672 C CB . ASP A 0 87 . -1.267 -16.575 1.673 1.00 58.95 87 A 1 ATOM 673 O O . ASP A 0 87 . -0.520 -13.519 1.867 1.00 58.95 87 A 1 ATOM 674 C CG . ASP A 0 87 . -1.880 -17.944 1.991 1.00 58.95 87 A 1 ATOM 675 O OD1 . ASP A 0 87 . -1.841 -18.343 3.177 1.00 58.95 87 A 1 ATOM 676 O OD2 . ASP A 0 87 . -2.359 -18.588 1.034 1.00 58.95 87 A 1 ATOM 677 N N . VAL A 0 88 . 0.634 -14.435 3.552 1.00 57.53 88 A 1 ATOM 678 C CA . VAL A 0 88 . 1.611 -13.345 3.679 1.00 57.53 88 A 1 ATOM 679 C C . VAL A 0 88 . 2.823 -13.600 2.783 1.00 57.53 88 A 1 ATOM 680 C CB . VAL A 0 88 . 2.030 -13.148 5.150 1.00 57.53 88 A 1 ATOM 681 O O . VAL A 0 88 . 3.624 -14.492 3.045 1.00 57.53 88 A 1 ATOM 682 C CG1 . VAL A 0 88 . 3.017 -11.979 5.299 1.00 57.53 88 A 1 ATOM 683 C CG2 . VAL A 0 88 . 0.820 -12.846 6.045 1.00 57.53 88 A 1 ATOM 684 N N . THR A 0 89 . 3.012 -12.766 1.755 1.00 60.92 89 A 1 ATOM 685 C CA . THR A 0 89 . 4.200 -12.830 0.869 1.00 60.92 89 A 1 ATOM 686 C C . THR A 0 89 . 5.269 -11.785 1.227 1.00 60.92 89 A 1 ATOM 687 C CB . THR A 0 89 . 3.776 -12.685 -0.601 1.00 60.92 89 A 1 ATOM 688 O O . THR A 0 89 . 6.457 -11.973 0.961 1.00 60.92 89 A 1 ATOM 689 C CG2 . THR A 0 89 . 4.890 -13.042 -1.586 1.00 60.92 89 A 1 ATOM 690 O OG1 . THR A 0 89 . 2.717 -13.560 -0.906 1.00 60.92 89 A 1 ATOM 691 N N . ALA A 0 90 . 4.869 -10.674 1.852 1.00 61.29 90 A 1 ATOM 692 C CA . ALA A 0 90 . 5.753 -9.608 2.316 1.00 61.29 90 A 1 ATOM 693 C C . ALA A 0 90 . 5.163 -8.939 3.563 1.00 61.29 90 A 1 ATOM 694 C CB . ALA A 0 90 . 5.942 -8.580 1.193 1.00 61.29 90 A 1 ATOM 695 O O . ALA A 0 90 . 3.944 -8.819 3.676 1.00 61.29 90 A 1 ATOM 696 N N . ILE A 0 91 . 6.026 -8.464 4.467 1.00 66.60 91 A 1 ATOM 697 C CA . ILE A 0 91 . 5.608 -7.762 5.687 1.00 66.60 91 A 1 ATOM 698 C C . ILE A 0 91 . 6.052 -6.303 5.604 1.00 66.60 91 A 1 ATOM 699 C CB . ILE A 0 91 . 6.108 -8.468 6.969 1.00 66.60 91 A 1 ATOM 700 O O . ILE A 0 91 . 7.237 -5.991 5.449 1.00 66.60 91 A 1 ATOM 701 C CG1 . ILE A 0 91 . 5.598 -9.929 7.015 1.00 66.60 91 A 1 ATOM 702 C CG2 . ILE A 0 91 . 5.631 -7.693 8.215 1.00 66.60 91 A 1 ATOM 703 C CD1 . ILE A 0 91 . 6.160 -10.761 8.174 1.00 66.60 91 A 1 ATOM 704 N N . ARG A 0 92 . 5.074 -5.408 5.729 1.00 68.79 92 A 1 ATOM 705 C CA . ARG A 0 92 . 5.271 -3.969 5.892 1.00 68.79 92 A 1 ATOM 706 C C . ARG A 0 92 . 4.643 -3.541 7.208 1.00 68.79 92 A 1 ATOM 707 C CB . ARG A 0 92 . 4.683 -3.221 4.689 1.00 68.79 92 A 1 ATOM 708 O O . ARG A 0 92 . 3.456 -3.767 7.425 1.00 68.79 92 A 1 ATOM 709 C CG . ARG A 0 92 . 5.635 -3.296 3.492 1.00 68.79 92 A 1 ATOM 710 C CD . ARG A 0 92 . 5.207 -2.363 2.356 1.00 68.79 92 A 1 ATOM 711 N NE . ARG A 0 92 . 6.375 -1.990 1.534 1.00 68.79 92 A 1 ATOM 712 N NH1 . ARG A 0 92 . 5.449 -0.180 0.470 1.00 68.79 92 A 1 ATOM 713 N NH2 . ARG A 0 92 . 7.608 -0.637 0.180 1.00 68.79 92 A 1 ATOM 714 C CZ . ARG A 0 92 . 6.470 -0.947 0.729 1.00 68.79 92 A 1 ATOM 715 N N . ASN A 0 93 . 5.449 -2.938 8.073 1.00 74.49 93 A 1 ATOM 716 C CA . ASN A 0 93 . 5.020 -2.470 9.381 1.00 74.49 93 A 1 ATOM 717 C C . ASN A 0 93 . 4.569 -1.017 9.267 1.00 74.49 93 A 1 ATOM 718 C CB . ASN A 0 93 . 6.161 -2.651 10.393 1.00 74.49 93 A 1 ATOM 719 O O . ASN A 0 93 . 5.284 -0.176 8.717 1.00 74.49 93 A 1 ATOM 720 C CG . ASN A 0 93 . 6.488 -4.114 10.630 1.00 74.49 93 A 1 ATOM 721 N ND2 . ASN A 0 93 . 7.748 -4.482 10.660 1.00 74.49 93 A 1 ATOM 722 O OD1 . ASN A 0 93 . 5.609 -4.944 10.781 1.00 74.49 93 A 1 ATOM 723 N N . TYR A 0 94 . 3.385 -0.724 9.796 1.00 77.19 94 A 1 ATOM 724 C CA . TYR A 0 94 . 2.805 0.610 9.770 1.00 77.19 94 A 1 ATOM 725 C C . TYR A 0 94 . 2.565 1.122 11.187 1.00 77.19 94 A 1 ATOM 726 C CB . TYR A 0 94 . 1.508 0.627 8.959 1.00 77.19 94 A 1 ATOM 727 O O . TYR A 0 94 . 2.120 0.386 12.066 1.00 77.19 94 A 1 ATOM 728 C CG . TYR A 0 94 . 1.664 0.386 7.468 1.00 77.19 94 A 1 ATOM 729 C CD1 . TYR A 0 94 . 1.633 1.471 6.571 1.00 77.19 94 A 1 ATOM 730 C CD2 . TYR A 0 94 . 1.813 -0.922 6.970 1.00 77.19 94 A 1 ATOM 731 C CE1 . TYR A 0 94 . 1.807 1.261 5.191 1.00 77.19 94 A 1 ATOM 732 C CE2 . TYR A 0 94 . 1.973 -1.140 5.589 1.00 77.19 94 A 1 ATOM 733 O OH . TYR A 0 94 . 2.161 -0.249 3.363 1.00 77.19 94 A 1 ATOM 734 C CZ . TYR A 0 94 . 1.987 -0.049 4.697 1.00 77.19 94 A 1 ATOM 735 N N . LYS A 0 95 . 2.805 2.417 11.389 1.00 78.86 95 A 1 ATOM 736 C CA . LYS A 0 95 . 2.428 3.142 12.602 1.00 78.86 95 A 1 ATOM 737 C C . LYS A 0 95 . 1.123 3.884 12.353 1.00 78.86 95 A 1 ATOM 738 C CB . LYS A 0 95 . 3.559 4.087 13.031 1.00 78.86 95 A 1 ATOM 739 O O . LYS A 0 95 . 1.004 4.619 11.371 1.00 78.86 95 A 1 ATOM 740 C CG . LYS A 0 95 . 4.745 3.293 13.599 1.00 78.86 95 A 1 ATOM 741 C CD . LYS A 0 95 . 5.931 4.197 13.962 1.00 78.86 95 A 1 ATOM 742 C CE . LYS A 0 95 . 7.081 3.318 14.473 1.00 78.86 95 A 1 ATOM 743 N NZ . LYS A 0 95 . 8.282 4.100 14.860 1.00 78.86 95 A 1 ATOM 744 N N . ARG A 0 96 . 0.149 3.702 13.242 1.00 82.72 96 A 1 ATOM 745 C CA . ARG A 0 96 . -1.110 4.447 13.199 1.00 82.72 96 A 1 ATOM 746 C C . ARG A 0 96 . -0.848 5.923 13.511 1.00 82.72 96 A 1 ATOM 747 C CB . ARG A 0 96 . -2.110 3.806 14.167 1.00 82.72 96 A 1 ATOM 748 O O . ARG A 0 96 . -0.124 6.226 14.454 1.00 82.72 96 A 1 ATOM 749 C CG . ARG A 0 96 . -3.525 4.324 13.909 1.00 82.72 96 A 1 ATOM 750 C CD . ARG A 0 96 . -4.544 3.507 14.696 1.00 82.72 96 A 1 ATOM 751 N NE . ARG A 0 96 . -5.858 4.147 14.612 1.00 82.72 96 A 1 ATOM 752 N NH1 . ARG A 0 96 . -7.096 2.570 15.729 1.00 82.72 96 A 1 ATOM 753 N NH2 . ARG A 0 96 . -7.989 4.551 15.156 1.00 82.72 96 A 1 ATOM 754 C CZ . ARG A 0 96 . -6.978 3.740 15.162 1.00 82.72 96 A 1 ATOM 755 N N . LEU A 0 97 . -1.409 6.821 12.707 1.00 79.23 97 A 1 ATOM 756 C CA . LEU A 0 97 . -1.330 8.273 12.885 1.00 79.23 97 A 1 ATOM 757 C C . LEU A 0 97 . -2.567 8.839 13.605 1.00 79.23 97 A 1 ATOM 758 C CB . LEU A 0 97 . -1.135 8.950 11.513 1.00 79.23 97 A 1 ATOM 759 O O . LEU A 0 97 . -2.441 9.833 14.312 1.00 79.23 97 A 1 ATOM 760 C CG . LEU A 0 97 . 0.214 8.698 10.811 1.00 79.23 97 A 1 ATOM 761 C CD1 . LEU A 0 97 . 0.227 9.462 9.483 1.00 79.23 97 A 1 ATOM 762 C CD2 . LEU A 0 97 . 1.413 9.179 11.632 1.00 79.23 97 A 1 ATOM 763 N N . SER A 0 98 . -3.735 8.210 13.431 1.00 65.51 98 A 1 ATOM 764 C CA . SER A 0 98 . -5.028 8.554 14.054 1.00 65.51 98 A 1 ATOM 765 C C . SER A 0 98 . -5.998 7.381 13.938 1.00 65.51 98 A 1 ATOM 766 C CB . SER A 0 98 . -5.621 9.798 13.389 1.00 65.51 98 A 1 ATOM 767 O O . SER A 0 98 . -5.918 6.676 12.903 1.00 65.51 98 A 1 ATOM 768 O OG . SER A 0 98 . -5.768 9.515 12.013 1.00 65.51 98 A 1 ATOM 769 O OXT . SER A 0 98 . -6.776 7.131 14.876 1.00 65.51 98 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 79.76 # loop_ _atom_type.symbol C N O S #