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 PHE 0 3 GLU 0 4 VAL 0 5 LEU 0 6 LEU 0 7 PRO 0 8 LEU 0 9 MET 0 10 VAL 0 11 GLY 0 12 LEU 0 13 ILE 0 14 TRP 0 15 GLY 0 16 SER 0 17 THR 0 18 ASN 0 19 ILE 0 20 CYS 0 21 MET 0 22 LYS 0 23 TYR 0 24 ASN 0 25 SER 0 26 ASN 0 27 LYS 0 28 THR 0 29 LEU 0 30 LYS 0 31 LEU 0 32 LEU 0 33 ALA 0 34 PHE 0 35 ILE 0 36 PHE 0 37 LEU 0 38 ASN 0 39 GLN 0 40 SER 0 41 ALA 0 42 SER 0 43 ILE 0 44 LEU 0 45 LEU 0 46 MET 0 47 PHE 0 48 GLY 0 49 PHE 0 50 ARG 0 51 TYR 0 52 THR 0 53 ARG 0 54 LEU 0 55 SER 0 56 ARG 0 57 GLY 0 58 VAL 0 59 ALA 0 60 ILE 0 61 ALA 0 62 ASN 0 63 SER 0 64 THR 0 65 ALA 0 66 LEU 0 67 LEU 0 68 ALA 0 69 SER 0 70 ALA 0 71 LEU 0 72 THR 0 73 SER 0 74 SER 0 75 CYS 0 76 VAL 0 77 TYR 0 78 HIS 0 79 ASP 0 80 LYS 0 81 MET 0 82 LYS 0 83 PHE 0 84 SER 0 85 GLY 0 86 SER 0 87 VAL 0 88 GLY 0 89 VAL 0 90 VAL 0 91 LEU 0 92 ILE 0 93 CYS 0 94 VAL 0 95 GLY 0 96 THR 0 97 GLY 0 98 LEU 0 99 LEU 0 100 ASN 0 101 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 . 11.561 16.672 -8.712 1.00 82.26 1 A 1 ATOM 2 C CA . MET A 0 1 . 10.931 16.724 -7.366 1.00 82.26 1 A 1 ATOM 3 C C . MET A 0 1 . 9.594 15.984 -7.330 1.00 82.26 1 A 1 ATOM 4 C CB . MET A 0 1 . 10.791 18.154 -6.824 1.00 82.26 1 A 1 ATOM 5 O O . MET A 0 1 . 9.453 15.066 -6.529 1.00 82.26 1 A 1 ATOM 6 C CG . MET A 0 1 . 12.159 18.785 -6.538 1.00 82.26 1 A 1 ATOM 7 S SD . MET A 0 1 . 12.037 20.419 -5.778 1.00 82.26 1 A 1 ATOM 8 C CE . MET A 0 1 . 13.795 20.811 -5.554 1.00 82.26 1 A 1 ATOM 9 N N . PHE A 0 2 . 8.643 16.314 -8.214 1.00 88.67 2 A 1 ATOM 10 C CA . PHE A 0 2 . 7.335 15.639 -8.283 1.00 88.67 2 A 1 ATOM 11 C C . PHE A 0 2 . 7.409 14.117 -8.484 1.00 88.67 2 A 1 ATOM 12 C CB . PHE A 0 2 . 6.500 16.288 -9.396 1.00 88.67 2 A 1 ATOM 13 O O . PHE A 0 2 . 6.562 13.407 -7.955 1.00 88.67 2 A 1 ATOM 14 C CG . PHE A 0 2 . 5.951 17.643 -9.003 1.00 88.67 2 A 1 ATOM 15 C CD1 . PHE A 0 2 . 4.856 17.716 -8.120 1.00 88.67 2 A 1 ATOM 16 C CD2 . PHE A 0 2 . 6.531 18.827 -9.497 1.00 88.67 2 A 1 ATOM 17 C CE1 . PHE A 0 2 . 4.346 18.965 -7.727 1.00 88.67 2 A 1 ATOM 18 C CE2 . PHE A 0 2 . 6.022 20.077 -9.098 1.00 88.67 2 A 1 ATOM 19 C CZ . PHE A 0 2 . 4.931 20.146 -8.214 1.00 88.67 2 A 1 ATOM 20 N N . GLU A 0 3 . 8.443 13.611 -9.166 1.00 90.79 3 A 1 ATOM 21 C CA . GLU A 0 3 . 8.617 12.178 -9.458 1.00 90.79 3 A 1 ATOM 22 C C . GLU A 0 3 . 8.653 11.270 -8.220 1.00 90.79 3 A 1 ATOM 23 C CB . GLU A 0 3 . 9.936 11.936 -10.204 1.00 90.79 3 A 1 ATOM 24 O O . GLU A 0 3 . 8.290 10.099 -8.308 1.00 90.79 3 A 1 ATOM 25 C CG . GLU A 0 3 . 10.258 12.945 -11.310 1.00 90.79 3 A 1 ATOM 26 C CD . GLU A 0 3 . 11.437 12.482 -12.183 1.00 90.79 3 A 1 ATOM 27 O OE1 . GLU A 0 3 . 11.627 13.104 -13.247 1.00 90.79 3 A 1 ATOM 28 O OE2 . GLU A 0 3 . 12.201 11.603 -11.715 1.00 90.79 3 A 1 ATOM 29 N N . VAL A 0 4 . 9.108 11.811 -7.085 1.00 91.51 4 A 1 ATOM 30 C CA . VAL A 0 4 . 9.214 11.102 -5.800 1.00 91.51 4 A 1 ATOM 31 C C . VAL A 0 4 . 8.133 11.582 -4.839 1.00 91.51 4 A 1 ATOM 32 C CB . VAL A 0 4 . 10.618 11.287 -5.188 1.00 91.51 4 A 1 ATOM 33 O O . VAL A 0 4 . 7.483 10.768 -4.190 1.00 91.51 4 A 1 ATOM 34 C CG1 . VAL A 0 4 . 10.757 10.577 -3.836 1.00 91.51 4 A 1 ATOM 35 C CG2 . VAL A 0 4 . 11.708 10.743 -6.123 1.00 91.51 4 A 1 ATOM 36 N N . LEU A 0 5 . 7.899 12.899 -4.780 1.00 93.65 5 A 1 ATOM 37 C CA . LEU A 0 5 . 6.962 13.497 -3.831 1.00 93.65 5 A 1 ATOM 38 C C . LEU A 0 5 . 5.519 13.016 -4.046 1.00 93.65 5 A 1 ATOM 39 C CB . LEU A 0 5 . 7.075 15.028 -3.932 1.00 93.65 5 A 1 ATOM 40 O O . LEU A 0 5 . 4.841 12.703 -3.072 1.00 93.65 5 A 1 ATOM 41 C CG . LEU A 0 5 . 6.197 15.797 -2.923 1.00 93.65 5 A 1 ATOM 42 C CD1 . LEU A 0 5 . 6.588 15.505 -1.474 1.00 93.65 5 A 1 ATOM 43 C CD2 . LEU A 0 5 . 6.343 17.297 -3.174 1.00 93.65 5 A 1 ATOM 44 N N . LEU A 0 6 . 5.054 12.922 -5.300 1.00 94.96 6 A 1 ATOM 45 C CA . LEU A 0 6 . 3.691 12.463 -5.599 1.00 94.96 6 A 1 ATOM 46 C C . LEU A 0 6 . 3.472 11.008 -5.148 1.00 94.96 6 A 1 ATOM 47 C CB . LEU A 0 6 . 3.353 12.680 -7.089 1.00 94.96 6 A 1 ATOM 48 O O . LEU A 0 6 . 2.575 10.789 -4.334 1.00 94.96 6 A 1 ATOM 49 C CG . LEU A 0 6 . 2.853 14.091 -7.416 1.00 94.96 6 A 1 ATOM 50 C CD1 . LEU A 0 6 . 2.968 14.363 -8.916 1.00 94.96 6 A 1 ATOM 51 C CD2 . LEU A 0 6 . 1.384 14.249 -7.038 1.00 94.96 6 A 1 ATOM 52 N N . PRO A 0 7 . 4.284 10.020 -5.580 1.00 95.63 7 A 1 ATOM 53 C CA . PRO A 0 7 . 4.168 8.652 -5.081 1.00 95.63 7 A 1 ATOM 54 C C . PRO A 0 7 . 4.291 8.522 -3.562 1.00 95.63 7 A 1 ATOM 55 C CB . PRO A 0 7 . 5.295 7.881 -5.759 1.00 95.63 7 A 1 ATOM 56 O O . PRO A 0 7 . 3.575 7.723 -2.966 1.00 95.63 7 A 1 ATOM 57 C CG . PRO A 0 7 . 5.487 8.612 -7.075 1.00 95.63 7 A 1 ATOM 58 C CD . PRO A 0 7 . 5.246 10.062 -6.678 1.00 95.63 7 A 1 ATOM 59 N N . LEU A 0 8 . 5.160 9.311 -2.925 1.00 95.25 8 A 1 ATOM 60 C CA . LEU A 0 8 . 5.331 9.289 -1.472 1.00 95.25 8 A 1 ATOM 61 C C . LEU A 0 8 . 4.049 9.750 -0.761 1.00 95.25 8 A 1 ATOM 62 C CB . LEU A 0 8 . 6.579 10.123 -1.134 1.00 95.25 8 A 1 ATOM 63 O O . LEU A 0 8 . 3.551 9.052 0.121 1.00 95.25 8 A 1 ATOM 64 C CG . LEU A 0 8 . 7.101 9.968 0.306 1.00 95.25 8 A 1 ATOM 65 C CD1 . LEU A 0 8 . 8.585 10.340 0.340 1.00 95.25 8 A 1 ATOM 66 C CD2 . LEU A 0 8 . 6.375 10.872 1.305 1.00 95.25 8 A 1 ATOM 67 N N . MET A 0 9 . 3.455 10.864 -1.199 1.00 96.79 9 A 1 ATOM 68 C CA . MET A 0 9 . 2.166 11.342 -0.683 1.00 96.79 9 A 1 ATOM 69 C C . MET A 0 9 . 1.047 10.318 -0.900 1.00 96.79 9 A 1 ATOM 70 C CB . MET A 0 9 . 1.791 12.667 -1.363 1.00 96.79 9 A 1 ATOM 71 O O . MET A 0 9 . 0.267 10.053 0.014 1.00 96.79 9 A 1 ATOM 72 C CG . MET A 0 9 . 2.660 13.837 -0.889 1.00 96.79 9 A 1 ATOM 73 S SD . MET A 0 9 . 2.531 14.249 0.874 1.00 96.79 9 A 1 ATOM 74 C CE . MET A 0 9 . 0.813 14.822 0.969 1.00 96.79 9 A 1 ATOM 75 N N . VAL A 0 10 . 0.994 9.704 -2.085 1.00 98.10 10 A 1 ATOM 76 C CA . VAL A 0 10 . 0.029 8.638 -2.390 1.00 98.10 10 A 1 ATOM 77 C C . VAL A 0 10 . 0.203 7.464 -1.438 1.00 98.10 10 A 1 ATOM 78 C CB . VAL A 0 10 . 0.167 8.171 -3.849 1.00 98.10 10 A 1 ATOM 79 O O . VAL A 0 10 . -0.779 7.001 -0.864 1.00 98.10 10 A 1 ATOM 80 C CG1 . VAL A 0 10 . -0.637 6.894 -4.133 1.00 98.10 10 A 1 ATOM 81 C CG2 . VAL A 0 10 . -0.314 9.283 -4.788 1.00 98.10 10 A 1 ATOM 82 N N . GLY A 0 11 . 1.438 7.012 -1.226 1.00 97.71 11 A 1 ATOM 83 C CA . GLY A 0 11 . 1.724 5.915 -0.314 1.00 97.71 11 A 1 ATOM 84 C C . GLY A 0 11 . 1.275 6.214 1.114 1.00 97.71 11 A 1 ATOM 85 O O . GLY A 0 11 . 0.600 5.388 1.723 1.00 97.71 11 A 1 ATOM 86 N N . LEU A 0 12 . 1.551 7.417 1.628 1.00 97.83 12 A 1 ATOM 87 C CA . LEU A 0 12 . 1.081 7.834 2.954 1.00 97.83 12 A 1 ATOM 88 C C . LEU A 0 12 . -0.449 7.769 3.067 1.00 97.83 12 A 1 ATOM 89 C CB . LEU A 0 12 . 1.571 9.260 3.264 1.00 97.83 12 A 1 ATOM 90 O O . LEU A 0 12 . -0.974 7.245 4.055 1.00 97.83 12 A 1 ATOM 91 C CG . LEU A 0 12 . 3.084 9.402 3.503 1.00 97.83 12 A 1 ATOM 92 C CD1 . LEU A 0 12 . 3.421 10.879 3.702 1.00 97.83 12 A 1 ATOM 93 C CD2 . LEU A 0 12 . 3.553 8.629 4.736 1.00 97.83 12 A 1 ATOM 94 N N . ILE A 0 13 . -1.163 8.256 2.047 1.00 98.26 13 A 1 ATOM 95 C CA . ILE A 0 13 . -2.628 8.227 2.016 1.00 98.26 13 A 1 ATOM 96 C C . ILE A 0 13 . -3.133 6.785 1.944 1.00 98.26 13 A 1 ATOM 97 C CB . ILE A 0 13 . -3.188 9.087 0.862 1.00 98.26 13 A 1 ATOM 98 O O . ILE A 0 13 . -3.967 6.398 2.763 1.00 98.26 13 A 1 ATOM 99 C CG1 . ILE A 0 13 . -2.843 10.579 1.072 1.00 98.26 13 A 1 ATOM 100 C CG2 . ILE A 0 13 . -4.718 8.907 0.798 1.00 98.26 13 A 1 ATOM 101 C CD1 . ILE A 0 13 . -3.043 11.436 -0.185 1.00 98.26 13 A 1 ATOM 102 N N . TRP A 0 14 . -2.630 5.975 1.011 1.00 98.51 14 A 1 ATOM 103 C CA . TRP A 0 14 . -3.030 4.577 0.852 1.00 98.51 14 A 1 ATOM 104 C C . TRP A 0 14 . -2.810 3.771 2.125 1.00 98.51 14 A 1 ATOM 105 C CB . TRP A 0 14 . -2.263 3.942 -0.310 1.00 98.51 14 A 1 ATOM 106 O O . TRP A 0 14 . -3.736 3.117 2.599 1.00 98.51 14 A 1 ATOM 107 C CG . TRP A 0 14 . -2.743 4.253 -1.692 1.00 98.51 14 A 1 ATOM 108 C CD1 . TRP A 0 14 . -3.850 4.955 -2.040 1.00 98.51 14 A 1 ATOM 109 C CD2 . TRP A 0 14 . -2.175 3.769 -2.944 1.00 98.51 14 A 1 ATOM 110 C CE2 . TRP A 0 14 . -3.007 4.203 -4.017 1.00 98.51 14 A 1 ATOM 111 C CE3 . TRP A 0 14 . -1.062 2.963 -3.270 1.00 98.51 14 A 1 ATOM 112 N NE1 . TRP A 0 14 . -4.011 4.924 -3.411 1.00 98.51 14 A 1 ATOM 113 C CH2 . TRP A 0 14 . -1.646 3.030 -5.639 1.00 98.51 14 A 1 ATOM 114 C CZ2 . TRP A 0 14 . -2.753 3.841 -5.346 1.00 98.51 14 A 1 ATOM 115 C CZ3 . TRP A 0 14 . -0.798 2.599 -4.604 1.00 98.51 14 A 1 ATOM 116 N N . GLY A 0 15 . -1.624 3.860 2.726 1.00 97.45 15 A 1 ATOM 117 C CA . GLY A 0 15 . -1.325 3.091 3.928 1.00 97.45 15 A 1 ATOM 118 C C . GLY A 0 15 . -2.198 3.481 5.118 1.00 97.45 15 A 1 ATOM 119 O O . GLY A 0 15 . -2.765 2.618 5.787 1.00 97.45 15 A 1 ATOM 120 N N . SER A 0 16 . -2.385 4.784 5.337 1.00 97.45 16 A 1 ATOM 121 C CA . SER A 0 16 . -3.216 5.278 6.441 1.00 97.45 16 A 1 ATOM 122 C C . SER A 0 16 . -4.693 4.929 6.240 1.00 97.45 16 A 1 ATOM 123 C CB . SER A 0 16 . -3.060 6.794 6.602 1.00 97.45 16 A 1 ATOM 124 O O . SER A 0 16 . -5.365 4.451 7.156 1.00 97.45 16 A 1 ATOM 125 O OG . SER A 0 16 . -1.700 7.167 6.671 1.00 97.45 16 A 1 ATOM 126 N N . THR A 0 17 . -5.211 5.129 5.025 1.00 98.07 17 A 1 ATOM 127 C CA . THR A 0 17 . -6.620 4.857 4.709 1.00 98.07 17 A 1 ATOM 128 C C . THR A 0 17 . -6.939 3.369 4.727 1.00 98.07 17 A 1 ATOM 129 C CB . THR A 0 17 . -7.070 5.454 3.372 1.00 98.07 17 A 1 ATOM 130 O O . THR A 0 17 . -7.973 3.015 5.280 1.00 98.07 17 A 1 ATOM 131 C CG2 . THR A 0 17 . -7.112 6.978 3.399 1.00 98.07 17 A 1 ATOM 132 O OG1 . THR A 0 17 . -6.209 5.066 2.337 1.00 98.07 17 A 1 ATOM 133 N N . ASN A 0 18 . -6.065 2.490 4.226 1.00 97.28 18 A 1 ATOM 134 C CA . ASN A 0 18 . -6.286 1.039 4.250 1.00 97.28 18 A 1 ATOM 135 C C . ASN A 0 18 . -6.495 0.520 5.680 1.00 97.28 18 A 1 ATOM 136 C CB . ASN A 0 18 . -5.084 0.331 3.596 1.00 97.28 18 A 1 ATOM 137 O O . ASN A 0 18 . -7.441 -0.224 5.951 1.00 97.28 18 A 1 ATOM 138 C CG . ASN A 0 18 . -5.056 0.453 2.084 1.00 97.28 18 A 1 ATOM 139 N ND2 . ASN A 0 18 . -3.962 0.074 1.465 1.00 97.28 18 A 1 ATOM 140 O OD1 . ASN A 0 18 . -6.004 0.858 1.435 1.00 97.28 18 A 1 ATOM 141 N N . ILE A 0 19 . -5.653 0.963 6.617 1.00 96.53 19 A 1 ATOM 142 C CA . ILE A 0 19 . -5.809 0.621 8.032 1.00 96.53 19 A 1 ATOM 143 C C . ILE A 0 19 . -7.098 1.226 8.588 1.00 96.53 19 A 1 ATOM 144 C CB . ILE A 0 19 . -4.563 1.061 8.822 1.00 96.53 19 A 1 ATOM 145 O O . ILE A 0 19 . -7.901 0.524 9.200 1.00 96.53 19 A 1 ATOM 146 C CG1 . ILE A 0 19 . -3.290 0.344 8.336 1.00 96.53 19 A 1 ATOM 147 C CG2 . ILE A 0 19 . -4.748 0.818 10.326 1.00 96.53 19 A 1 ATOM 148 C CD1 . ILE A 0 19 . -3.299 -1.190 8.418 1.00 96.53 19 A 1 ATOM 149 N N . CYS A 0 20 . -7.364 2.504 8.327 1.00 96.53 20 A 1 ATOM 150 C CA . CYS A 0 20 . -8.592 3.141 8.789 1.00 96.53 20 A 1 ATOM 151 C C . CYS A 0 20 . -9.869 2.472 8.250 1.00 96.53 20 A 1 ATOM 152 C CB . CYS A 0 20 . -8.528 4.622 8.427 1.00 96.53 20 A 1 ATOM 153 O O . CYS A 0 20 . -10.831 2.341 9.007 1.00 96.53 20 A 1 ATOM 154 S SG . CYS A 0 20 . -7.387 5.463 9.559 1.00 96.53 20 A 1 ATOM 155 N N . MET A 0 21 . -9.887 1.994 7.003 1.00 97.24 21 A 1 ATOM 156 C CA . MET A 0 21 . -11.005 1.228 6.441 1.00 97.24 21 A 1 ATOM 157 C C . MET A 0 21 . -11.203 -0.099 7.173 1.00 97.24 21 A 1 ATOM 158 C CB . MET A 0 21 . -10.780 0.936 4.954 1.00 97.24 21 A 1 ATOM 159 O O . MET A 0 21 . -12.333 -0.422 7.535 1.00 97.24 21 A 1 ATOM 160 C CG . MET A 0 21 . -10.896 2.169 4.066 1.00 97.24 21 A 1 ATOM 161 S SD . MET A 0 21 . -10.786 1.724 2.322 1.00 97.24 21 A 1 ATOM 162 C CE . MET A 0 21 . -9.820 3.107 1.712 1.00 97.24 21 A 1 ATOM 163 N N . LYS A 0 22 . -10.117 -0.831 7.460 1.00 95.36 22 A 1 ATOM 164 C CA . LYS A 0 22 . -10.166 -2.093 8.217 1.00 95.36 22 A 1 ATOM 165 C C . LYS A 0 22 . -10.834 -1.909 9.586 1.00 95.36 22 A 1 ATOM 166 C CB . LYS A 0 22 . -8.740 -2.660 8.340 1.00 95.36 22 A 1 ATOM 167 O O . LYS A 0 22 . -11.707 -2.693 9.943 1.00 95.36 22 A 1 ATOM 168 C CG . LYS A 0 22 . -8.667 -3.986 9.117 1.00 95.36 22 A 1 ATOM 169 C CD . LYS A 0 22 . -7.206 -4.377 9.380 1.00 95.36 22 A 1 ATOM 170 C CE . LYS A 0 22 . -7.127 -5.598 10.307 1.00 95.36 22 A 1 ATOM 171 N NZ . LYS A 0 22 . -5.766 -5.757 10.891 1.00 95.36 22 A 1 ATOM 172 N N . TYR A 0 23 . -10.459 -0.872 10.337 1.00 95.35 23 A 1 ATOM 173 C CA . TYR A 0 23 . -10.995 -0.631 11.687 1.00 95.35 23 A 1 ATOM 174 C C . TYR A 0 23 . -12.338 0.108 11.724 1.00 95.35 23 A 1 ATOM 175 C CB . TYR A 0 23 . -9.966 0.133 12.517 1.00 95.35 23 A 1 ATOM 176 O O . TYR A 0 23 . -13.010 0.114 12.757 1.00 95.35 23 A 1 ATOM 177 C CG . TYR A 0 23 . -8.818 -0.725 12.995 1.00 95.35 23 A 1 ATOM 178 C CD1 . TYR A 0 23 . -8.927 -1.452 14.198 1.00 95.35 23 A 1 ATOM 179 C CD2 . TYR A 0 23 . -7.633 -0.776 12.245 1.00 95.35 23 A 1 ATOM 180 C CE1 . TYR A 0 23 . -7.846 -2.236 14.647 1.00 95.35 23 A 1 ATOM 181 C CE2 . TYR A 0 23 . -6.569 -1.579 12.668 1.00 95.35 23 A 1 ATOM 182 O OH . TYR A 0 23 . -5.622 -3.064 14.192 1.00 95.35 23 A 1 ATOM 183 C CZ . TYR A 0 23 . -6.676 -2.301 13.866 1.00 95.35 23 A 1 ATOM 184 N N . ASN A 0 24 . -12.749 0.749 10.629 1.00 94.66 24 A 1 ATOM 185 C CA . ASN A 0 24 . -14.021 1.472 10.541 1.00 94.66 24 A 1 ATOM 186 C C . ASN A 0 24 . -15.006 0.810 9.565 1.00 94.66 24 A 1 ATOM 187 C CB . ASN A 0 24 . -13.784 2.972 10.271 1.00 94.66 24 A 1 ATOM 188 O O . ASN A 0 24 . -15.930 1.477 9.103 1.00 94.66 24 A 1 ATOM 189 C CG . ASN A 0 24 . -13.035 3.659 11.398 1.00 94.66 24 A 1 ATOM 190 N ND2 . ASN A 0 24 . -11.732 3.725 11.292 1.00 94.66 24 A 1 ATOM 191 O OD1 . ASN A 0 24 . -13.621 4.147 12.362 1.00 94.66 24 A 1 ATOM 192 N N . SER A 0 25 . -14.856 -0.490 9.294 1.00 94.99 25 A 1 ATOM 193 C CA . SER A 0 25 . -15.704 -1.255 8.366 1.00 94.99 25 A 1 ATOM 194 C C . SER A 0 25 . -17.201 -1.175 8.693 1.00 94.99 25 A 1 ATOM 195 C CB . SER A 0 25 . -15.255 -2.720 8.365 1.00 94.99 25 A 1 ATOM 196 O O . SER A 0 25 . -18.026 -1.101 7.791 1.00 94.99 25 A 1 ATOM 197 O OG . SER A 0 25 . -15.299 -3.242 9.682 1.00 94.99 25 A 1 ATOM 198 N N . ASN A 0 26 . -17.554 -1.089 9.978 1.00 95.32 26 A 1 ATOM 199 C CA . ASN A 0 26 . -18.944 -0.979 10.439 1.00 95.32 26 A 1 ATOM 200 C C . ASN A 0 26 . -19.488 0.465 10.462 1.00 95.32 26 A 1 ATOM 201 C CB . ASN A 0 26 . -19.050 -1.651 11.821 1.00 95.32 26 A 1 ATOM 202 O O . ASN A 0 26 . -20.630 0.687 10.857 1.00 95.32 26 A 1 ATOM 203 C CG . ASN A 0 26 . -18.733 -3.135 11.782 1.00 95.32 26 A 1 ATOM 204 N ND2 . ASN A 0 26 . -18.227 -3.689 12.859 1.00 95.32 26 A 1 ATOM 205 O OD1 . ASN A 0 26 . -18.925 -3.822 10.799 1.00 95.32 26 A 1 ATOM 206 N N . LYS A 0 27 . -18.685 1.476 10.102 1.00 94.17 27 A 1 ATOM 207 C CA . LYS A 0 27 . -19.064 2.899 10.171 1.00 94.17 27 A 1 ATOM 208 C C . LYS A 0 27 . -19.182 3.477 8.764 1.00 94.17 27 A 1 ATOM 209 C CB . LYS A 0 27 . -18.064 3.683 11.040 1.00 94.17 27 A 1 ATOM 210 O O . LYS A 0 27 . -18.254 4.137 8.302 1.00 94.17 27 A 1 ATOM 211 C CG . LYS A 0 27 . -18.045 3.219 12.502 1.00 94.17 27 A 1 ATOM 212 C CD . LYS A 0 27 . -17.057 4.055 13.325 1.00 94.17 27 A 1 ATOM 213 C CE . LYS A 0 27 . -16.906 3.441 14.721 1.00 94.17 27 A 1 ATOM 214 N NZ . LYS A 0 27 . -15.723 3.970 15.446 1.00 94.17 27 A 1 ATOM 215 N N . THR A 0 28 . -20.331 3.278 8.116 1.00 93.82 28 A 1 ATOM 216 C CA . THR A 0 28 . -20.568 3.571 6.687 1.00 93.82 28 A 1 ATOM 217 C C . THR A 0 28 . -20.031 4.926 6.227 1.00 93.82 28 A 1 ATOM 218 C CB . THR A 0 28 . -22.069 3.489 6.361 1.00 93.82 28 A 1 ATOM 219 O O . THR A 0 28 . -19.279 4.980 5.260 1.00 93.82 28 A 1 ATOM 220 C CG2 . THR A 0 28 . -22.349 3.463 4.860 1.00 93.82 28 A 1 ATOM 221 O OG1 . THR A 0 28 . -22.590 2.308 6.917 1.00 93.82 28 A 1 ATOM 222 N N . LEU A 0 29 . -20.341 6.018 6.937 1.00 96.51 29 A 1 ATOM 223 C CA . LEU A 0 29 . -19.895 7.357 6.531 1.00 96.51 29 A 1 ATOM 224 C C . LEU A 0 29 . -18.367 7.521 6.607 1.00 96.51 29 A 1 ATOM 225 C CB . LEU A 0 29 . -20.622 8.408 7.391 1.00 96.51 29 A 1 ATOM 226 O O . LEU A 0 29 . -17.757 8.081 5.699 1.00 96.51 29 A 1 ATOM 227 C CG . LEU A 0 29 . -20.378 9.862 6.937 1.00 96.51 29 A 1 ATOM 228 C CD1 . LEU A 0 29 . -20.961 10.133 5.550 1.00 96.51 29 A 1 ATOM 229 C CD2 . LEU A 0 29 . -21.028 10.823 7.931 1.00 96.51 29 A 1 ATOM 230 N N . LYS A 0 30 . -17.735 7.003 7.670 1.00 95.54 30 A 1 ATOM 231 C CA . LYS A 0 30 . -16.273 7.055 7.830 1.00 95.54 30 A 1 ATOM 232 C C . LYS A 0 30 . -15.578 6.154 6.817 1.00 95.54 30 A 1 ATOM 233 C CB . LYS A 0 30 . -15.849 6.669 9.255 1.00 95.54 30 A 1 ATOM 234 O O . LYS A 0 30 . -14.603 6.575 6.206 1.00 95.54 30 A 1 ATOM 235 C CG . LYS A 0 30 . -16.227 7.744 10.280 1.00 95.54 30 A 1 ATOM 236 C CD . LYS A 0 30 . -15.632 7.428 11.658 1.00 95.54 30 A 1 ATOM 237 C CE . LYS A 0 30 . -16.004 8.558 12.627 1.00 95.54 30 A 1 ATOM 238 N NZ . LYS A 0 30 . -15.340 8.420 13.947 1.00 95.54 30 A 1 ATOM 239 N N . LEU A 0 31 . -16.094 4.941 6.624 1.00 97.44 31 A 1 ATOM 240 C CA . LEU A 0 31 . -15.599 4.004 5.622 1.00 97.44 31 A 1 ATOM 241 C C . LEU A 0 31 . -15.621 4.645 4.232 1.00 97.44 31 A 1 ATOM 242 C CB . LEU A 0 31 . -16.458 2.727 5.672 1.00 97.44 31 A 1 ATOM 243 O O . LEU A 0 31 . -14.602 4.649 3.548 1.00 97.44 31 A 1 ATOM 244 C CG . LEU A 0 31 . -16.044 1.666 4.637 1.00 97.44 31 A 1 ATOM 245 C CD1 . LEU A 0 31 . -14.625 1.154 4.885 1.00 97.44 31 A 1 ATOM 246 C CD2 . LEU A 0 31 . -17.013 0.491 4.685 1.00 97.44 31 A 1 ATOM 247 N N . LEU A 0 32 . -16.748 5.250 3.857 1.00 97.70 32 A 1 ATOM 248 C CA . LEU A 0 32 . -16.910 5.902 2.565 1.00 97.70 32 A 1 ATOM 249 C C . LEU A 0 32 . -15.940 7.081 2.394 1.00 97.70 32 A 1 ATOM 250 C CB . LEU A 0 32 . -18.387 6.305 2.426 1.00 97.70 32 A 1 ATOM 251 O O . LEU A 0 32 . -15.310 7.201 1.347 1.00 97.70 32 A 1 ATOM 252 C CG . LEU A 0 32 . -18.763 6.792 1.024 1.00 97.70 32 A 1 ATOM 253 C CD1 . LEU A 0 32 . -18.579 5.710 -0.043 1.00 97.70 32 A 1 ATOM 254 C CD2 . LEU A 0 32 . -20.221 7.249 1.005 1.00 97.70 32 A 1 ATOM 255 N N . ALA A 0 33 . -15.745 7.899 3.434 1.00 97.79 33 A 1 ATOM 256 C CA . ALA A 0 33 . -14.757 8.979 3.415 1.00 97.79 33 A 1 ATOM 257 C C . ALA A 0 33 . -13.326 8.459 3.183 1.00 97.79 33 A 1 ATOM 258 C CB . ALA A 0 33 . -14.862 9.767 4.726 1.00 97.79 33 A 1 ATOM 259 O O . ALA A 0 33 . -12.592 9.017 2.366 1.00 97.79 33 A 1 ATOM 260 N N . PHE A 0 34 . -12.932 7.366 3.847 1.00 97.80 34 A 1 ATOM 261 C CA . PHE A 0 34 . -11.621 6.758 3.617 1.00 97.80 34 A 1 ATOM 262 C C . PHE A 0 34 . -11.500 6.170 2.211 1.00 97.80 34 A 1 ATOM 263 C CB . PHE A 0 34 . -11.309 5.701 4.684 1.00 97.80 34 A 1 ATOM 264 O O . PHE A 0 34 . -10.453 6.352 1.592 1.00 97.80 34 A 1 ATOM 265 C CG . PHE A 0 34 . -11.145 6.248 6.089 1.00 97.80 34 A 1 ATOM 266 C CD1 . PHE A 0 34 . -10.246 7.303 6.338 1.00 97.80 34 A 1 ATOM 267 C CD2 . PHE A 0 34 . -11.883 5.699 7.154 1.00 97.80 34 A 1 ATOM 268 C CE1 . PHE A 0 34 . -10.108 7.825 7.635 1.00 97.80 34 A 1 ATOM 269 C CE2 . PHE A 0 34 . -11.756 6.229 8.451 1.00 97.80 34 A 1 ATOM 270 C CZ . PHE A 0 34 . -10.869 7.294 8.691 1.00 97.80 34 A 1 ATOM 271 N N . ILE A 0 35 . -12.545 5.513 1.692 1.00 97.90 35 A 1 ATOM 272 C CA . ILE A 0 35 . -12.576 4.999 0.314 1.00 97.90 35 A 1 ATOM 273 C C . ILE A 0 35 . -12.362 6.147 -0.673 1.00 97.90 35 A 1 ATOM 274 C CB . ILE A 0 35 . -13.883 4.216 0.035 1.00 97.90 35 A 1 ATOM 275 O O . ILE A 0 35 . -11.462 6.070 -1.505 1.00 97.90 35 A 1 ATOM 276 C CG1 . ILE A 0 35 . -13.890 2.886 0.823 1.00 97.90 35 A 1 ATOM 277 C CG2 . ILE A 0 35 . -14.047 3.926 -1.470 1.00 97.90 35 A 1 ATOM 278 C CD1 . ILE A 0 35 . -15.255 2.185 0.857 1.00 97.90 35 A 1 ATOM 279 N N . PHE A 0 36 . -13.109 7.247 -0.553 1.00 98.03 36 A 1 ATOM 280 C CA . PHE A 0 36 . -12.937 8.406 -1.432 1.00 98.03 36 A 1 ATOM 281 C C . PHE A 0 36 . -11.532 9.003 -1.355 1.00 98.03 36 A 1 ATOM 282 C CB . PHE A 0 36 . -13.983 9.476 -1.101 1.00 98.03 36 A 1 ATOM 283 O O . PHE A 0 36 . -10.945 9.324 -2.391 1.00 98.03 36 A 1 ATOM 284 C CG . PHE A 0 36 . -15.330 9.219 -1.741 1.00 98.03 36 A 1 ATOM 285 C CD1 . PHE A 0 36 . -15.440 9.206 -3.144 1.00 98.03 36 A 1 ATOM 286 C CD2 . PHE A 0 36 . -16.480 9.043 -0.953 1.00 98.03 36 A 1 ATOM 287 C CE1 . PHE A 0 36 . -16.685 8.985 -3.756 1.00 98.03 36 A 1 ATOM 288 C CE2 . PHE A 0 36 . -17.729 8.843 -1.570 1.00 98.03 36 A 1 ATOM 289 C CZ . PHE A 0 36 . -17.830 8.797 -2.967 1.00 98.03 36 A 1 ATOM 290 N N . LEU A 0 37 . -10.967 9.118 -0.153 1.00 98.07 37 A 1 ATOM 291 C CA . LEU A 0 37 . -9.614 9.636 0.029 1.00 98.07 37 A 1 ATOM 292 C C . LEU A 0 37 . -8.558 8.708 -0.601 1.00 98.07 37 A 1 ATOM 293 C CB . LEU A 0 37 . -9.390 9.864 1.533 1.00 98.07 37 A 1 ATOM 294 O O . LEU A 0 37 . -7.646 9.179 -1.280 1.00 98.07 37 A 1 ATOM 295 C CG . LEU A 0 37 . -8.028 10.490 1.871 1.00 98.07 37 A 1 ATOM 296 C CD1 . LEU A 0 37 . -7.821 11.852 1.207 1.00 98.07 37 A 1 ATOM 297 C CD2 . LEU A 0 37 . -7.903 10.668 3.383 1.00 98.07 37 A 1 ATOM 298 N N . ASN A 0 38 . -8.712 7.393 -0.434 1.00 98.22 38 A 1 ATOM 299 C CA . ASN A 0 38 . -7.835 6.387 -1.033 1.00 98.22 38 A 1 ATOM 300 C C . ASN A 0 38 . -7.903 6.417 -2.569 1.00 98.22 38 A 1 ATOM 301 C CB . ASN A 0 38 . -8.240 5.022 -0.474 1.00 98.22 38 A 1 ATOM 302 O O . ASN A 0 38 . -6.868 6.496 -3.232 1.00 98.22 38 A 1 ATOM 303 C CG . ASN A 0 38 . -7.299 3.912 -0.895 1.00 98.22 38 A 1 ATOM 304 N ND2 . ASN A 0 38 . -6.420 3.487 -0.023 1.00 98.22 38 A 1 ATOM 305 O OD1 . ASN A 0 38 . -7.346 3.419 -2.003 1.00 98.22 38 A 1 ATOM 306 N N . GLN A 0 39 . -9.112 6.468 -3.137 1.00 97.99 39 A 1 ATOM 307 C CA . GLN A 0 39 . -9.305 6.565 -4.585 1.00 97.99 39 A 1 ATOM 308 C C . GLN A 0 39 . -8.780 7.886 -5.159 1.00 97.99 39 A 1 ATOM 309 C CB . GLN A 0 39 . -10.790 6.386 -4.940 1.00 97.99 39 A 1 ATOM 310 O O . GLN A 0 39 . -8.201 7.895 -6.246 1.00 97.99 39 A 1 ATOM 311 C CG . GLN A 0 39 . -11.353 4.986 -4.636 1.00 97.99 39 A 1 ATOM 312 C CD . GLN A 0 39 . -10.497 3.858 -5.192 1.00 97.99 39 A 1 ATOM 313 N NE2 . GLN A 0 39 . -10.367 3.733 -6.495 1.00 97.99 39 A 1 ATOM 314 O OE1 . GLN A 0 39 . -9.914 3.072 -4.475 1.00 97.99 39 A 1 ATOM 315 N N . SER A 0 40 . -8.909 8.992 -4.422 1.00 97.85 40 A 1 ATOM 316 C CA . SER A 0 40 . -8.329 10.282 -4.820 1.00 97.85 40 A 1 ATOM 317 C C . SER A 0 40 . -6.803 10.203 -4.923 1.00 97.85 40 A 1 ATOM 318 C CB . SER A 0 40 . -8.722 11.384 -3.835 1.00 97.85 40 A 1 ATOM 319 O O . SER A 0 40 . -6.221 10.736 -5.867 1.00 97.85 40 A 1 ATOM 320 O OG . SER A 0 40 . -10.128 11.516 -3.783 1.00 97.85 40 A 1 ATOM 321 N N . ALA A 0 41 . -6.145 9.478 -4.012 1.00 97.99 41 A 1 ATOM 322 C CA . ALA A 0 41 . -4.710 9.218 -4.105 1.00 97.99 41 A 1 ATOM 323 C C . ALA A 0 41 . -4.352 8.331 -5.310 1.00 97.99 41 A 1 ATOM 324 C CB . ALA A 0 41 . -4.229 8.622 -2.782 1.00 97.99 41 A 1 ATOM 325 O O . ALA A 0 41 . -3.348 8.580 -5.974 1.00 97.99 41 A 1 ATOM 326 N N . SER A 0 42 . -5.193 7.357 -5.665 1.00 97.34 42 A 1 ATOM 327 C CA . SER A 0 42 . -4.999 6.548 -6.877 1.00 97.34 42 A 1 ATOM 328 C C . SER A 0 42 . -5.052 7.395 -8.151 1.00 97.34 42 A 1 ATOM 329 C CB . SER A 0 42 . -6.039 5.423 -6.943 1.00 97.34 42 A 1 ATOM 330 O O . SER A 0 42 . -4.203 7.247 -9.030 1.00 97.34 42 A 1 ATOM 331 O OG . SER A 0 42 . -5.967 4.660 -5.755 1.00 97.34 42 A 1 ATOM 332 N N . ILE A 0 43 . -5.993 8.340 -8.226 1.00 97.00 43 A 1 ATOM 333 C CA . ILE A 0 43 . -6.077 9.314 -9.323 1.00 97.00 43 A 1 ATOM 334 C C . ILE A 0 43 . -4.827 10.207 -9.342 1.00 97.00 43 A 1 ATOM 335 C CB . ILE A 0 43 . -7.381 10.134 -9.193 1.00 97.00 43 A 1 ATOM 336 O O . ILE A 0 43 . -4.224 10.418 -10.396 1.00 97.00 43 A 1 ATOM 337 C CG1 . ILE A 0 43 . -8.617 9.233 -9.419 1.00 97.00 43 A 1 ATOM 338 C CG2 . ILE A 0 43 . -7.391 11.308 -10.184 1.00 97.00 43 A 1 ATOM 339 C CD1 . ILE A 0 43 . -9.943 9.891 -9.015 1.00 97.00 43 A 1 ATOM 340 N N . LEU A 0 44 . -4.387 10.687 -8.176 1.00 95.61 44 A 1 ATOM 341 C CA . LEU A 0 44 . -3.171 11.492 -8.048 1.00 95.61 44 A 1 ATOM 342 C C . LEU A 0 44 . -1.924 10.737 -8.540 1.00 95.61 44 A 1 ATOM 343 C CB . LEU A 0 44 . -3.037 11.935 -6.581 1.00 95.61 44 A 1 ATOM 344 O O . LEU A 0 44 . -1.076 11.326 -9.213 1.00 95.61 44 A 1 ATOM 345 C CG . LEU A 0 44 . -1.886 12.918 -6.322 1.00 95.61 44 A 1 ATOM 346 C CD1 . LEU A 0 44 . -2.093 14.235 -7.073 1.00 95.61 44 A 1 ATOM 347 C CD2 . LEU A 0 44 . -1.791 13.214 -4.826 1.00 95.61 44 A 1 ATOM 348 N N . LEU A 0 45 . -1.829 9.432 -8.270 1.00 96.62 45 A 1 ATOM 349 C CA . LEU A 0 45 . -0.738 8.590 -8.761 1.00 96.62 45 A 1 ATOM 350 C C . LEU A 0 45 . -0.753 8.459 -10.286 1.00 96.62 45 A 1 ATOM 351 C CB . LEU A 0 45 . -0.824 7.203 -8.108 1.00 96.62 45 A 1 ATOM 352 O O . LEU A 0 45 . 0.304 8.552 -10.910 1.00 96.62 45 A 1 ATOM 353 C CG . LEU A 0 45 . 0.424 6.334 -8.355 1.00 96.62 45 A 1 ATOM 354 C CD1 . LEU A 0 45 . 1.705 6.917 -7.751 1.00 96.62 45 A 1 ATOM 355 C CD2 . LEU A 0 45 . 0.221 4.936 -7.775 1.00 96.62 45 A 1 ATOM 356 N N . MET A 0 46 . -1.937 8.301 -10.890 1.00 95.89 46 A 1 ATOM 357 C CA . MET A 0 46 . -2.081 8.260 -12.350 1.00 95.89 46 A 1 ATOM 358 C C . MET A 0 46 . -1.565 9.545 -13.004 1.00 95.89 46 A 1 ATOM 359 C CB . MET A 0 46 . -3.541 8.025 -12.759 1.00 95.89 46 A 1 ATOM 360 O O . MET A 0 46 . -0.844 9.482 -14.000 1.00 95.89 46 A 1 ATOM 361 C CG . MET A 0 46 . -4.038 6.617 -12.432 1.00 95.89 46 A 1 ATOM 362 S SD . MET A 0 46 . -5.751 6.353 -12.959 1.00 95.89 46 A 1 ATOM 363 C CE . MET A 0 46 . -5.969 4.629 -12.451 1.00 95.89 46 A 1 ATOM 364 N N . PHE A 0 47 . -1.862 10.712 -12.423 1.00 93.86 47 A 1 ATOM 365 C CA . PHE A 0 47 . -1.264 11.974 -12.869 1.00 93.86 47 A 1 ATOM 366 C C . PHE A 0 47 . 0.248 12.021 -12.617 1.00 93.86 47 A 1 ATOM 367 C CB . PHE A 0 47 . -1.970 13.156 -12.195 1.00 93.86 47 A 1 ATOM 368 O O . PHE A 0 47 . 0.995 12.531 -13.453 1.00 93.86 47 A 1 ATOM 369 C CG . PHE A 0 47 . -3.376 13.398 -12.704 1.00 93.86 47 A 1 ATOM 370 C CD1 . PHE A 0 47 . -3.575 13.790 -14.042 1.00 93.86 47 A 1 ATOM 371 C CD2 . PHE A 0 47 . -4.483 13.262 -11.847 1.00 93.86 47 A 1 ATOM 372 C CE1 . PHE A 0 47 . -4.874 14.028 -14.525 1.00 93.86 47 A 1 ATOM 373 C CE2 . PHE A 0 47 . -5.780 13.516 -12.329 1.00 93.86 47 A 1 ATOM 374 C CZ . PHE A 0 47 . -5.977 13.889 -13.668 1.00 93.86 47 A 1 ATOM 375 N N . GLY A 0 48 . 0.713 11.442 -11.508 1.00 93.48 48 A 1 ATOM 376 C CA . GLY A 0 48 . 2.130 11.311 -11.170 1.00 93.48 48 A 1 ATOM 377 C C . GLY A 0 48 . 2.950 10.537 -12.203 1.00 93.48 48 A 1 ATOM 378 O O . GLY A 0 48 . 4.103 10.895 -12.443 1.00 93.48 48 A 1 ATOM 379 N N . PHE A 0 49 . 2.362 9.552 -12.887 1.00 94.51 49 A 1 ATOM 380 C CA . PHE A 0 49 . 3.040 8.800 -13.955 1.00 94.51 49 A 1 ATOM 381 C C . PHE A 0 49 . 3.407 9.639 -15.186 1.00 94.51 49 A 1 ATOM 382 C CB . PHE A 0 49 . 2.202 7.583 -14.368 1.00 94.51 49 A 1 ATOM 383 O O . PHE A 0 49 . 4.188 9.187 -16.017 1.00 94.51 49 A 1 ATOM 384 C CG . PHE A 0 49 . 1.944 6.555 -13.282 1.00 94.51 49 A 1 ATOM 385 C CD1 . PHE A 0 49 . 2.939 6.227 -12.337 1.00 94.51 49 A 1 ATOM 386 C CD2 . PHE A 0 49 . 0.706 5.887 -13.246 1.00 94.51 49 A 1 ATOM 387 C CE1 . PHE A 0 49 . 2.680 5.269 -11.343 1.00 94.51 49 A 1 ATOM 388 C CE2 . PHE A 0 49 . 0.449 4.926 -12.255 1.00 94.51 49 A 1 ATOM 389 C CZ . PHE A 0 49 . 1.434 4.621 -11.301 1.00 94.51 49 A 1 ATOM 390 N N . ARG A 0 50 . 2.919 10.882 -15.295 1.00 94.41 50 A 1 ATOM 391 C CA . ARG A 0 50 . 3.427 11.844 -16.289 1.00 94.41 50 A 1 ATOM 392 C C . ARG A 0 50 . 4.843 12.328 -15.975 1.00 94.41 50 A 1 ATOM 393 C CB . ARG A 0 50 . 2.485 13.048 -16.383 1.00 94.41 50 A 1 ATOM 394 O O . ARG A 0 50 . 5.538 12.783 -16.874 1.00 94.41 50 A 1 ATOM 395 C CG . ARG A 0 50 . 1.099 12.649 -16.900 1.00 94.41 50 A 1 ATOM 396 C CD . ARG A 0 50 . 0.218 13.893 -17.003 1.00 94.41 50 A 1 ATOM 397 N NE . ARG A 0 50 . -1.065 13.584 -17.659 1.00 94.41 50 A 1 ATOM 398 N NH1 . ARG A 0 50 . -1.828 15.741 -17.823 1.00 94.41 50 A 1 ATOM 399 N NH2 . ARG A 0 50 . -3.045 14.073 -18.670 1.00 94.41 50 A 1 ATOM 400 C CZ . ARG A 0 50 . -1.969 14.464 -18.047 1.00 94.41 50 A 1 ATOM 401 N N . TYR A 0 51 . 5.250 12.245 -14.710 1.00 92.92 51 A 1 ATOM 402 C CA . TYR A 0 51 . 6.535 12.736 -14.217 1.00 92.92 51 A 1 ATOM 403 C C . TYR A 0 51 . 7.483 11.604 -13.819 1.00 92.92 51 A 1 ATOM 404 C CB . TYR A 0 51 . 6.286 13.676 -13.030 1.00 92.92 51 A 1 ATOM 405 O O . TYR A 0 51 . 8.687 11.802 -13.815 1.00 92.92 51 A 1 ATOM 406 C CG . TYR A 0 51 . 5.319 14.808 -13.327 1.00 92.92 51 A 1 ATOM 407 C CD1 . TYR A 0 51 . 5.739 15.903 -14.105 1.00 92.92 51 A 1 ATOM 408 C CD2 . TYR A 0 51 . 3.994 14.749 -12.853 1.00 92.92 51 A 1 ATOM 409 C CE1 . TYR A 0 51 . 4.841 16.947 -14.401 1.00 92.92 51 A 1 ATOM 410 C CE2 . TYR A 0 51 . 3.092 15.788 -13.150 1.00 92.92 51 A 1 ATOM 411 O OH . TYR A 0 51 . 2.637 17.886 -14.210 1.00 92.92 51 A 1 ATOM 412 C CZ . TYR A 0 51 . 3.514 16.890 -13.921 1.00 92.92 51 A 1 ATOM 413 N N . THR A 0 52 . 6.976 10.418 -13.474 1.00 91.55 52 A 1 ATOM 414 C CA . THR A 0 52 . 7.802 9.281 -13.040 1.00 91.55 52 A 1 ATOM 415 C C . THR A 0 52 . 7.498 8.031 -13.851 1.00 91.55 52 A 1 ATOM 416 C CB . THR A 0 52 . 7.646 9.037 -11.533 1.00 91.55 52 A 1 ATOM 417 O O . THR A 0 52 . 6.357 7.797 -14.249 1.00 91.55 52 A 1 ATOM 418 C CG2 . THR A 0 52 . 6.317 8.413 -11.113 1.00 91.55 52 A 1 ATOM 419 O OG1 . THR A 0 52 . 8.671 8.203 -11.048 1.00 91.55 52 A 1 ATOM 420 N N . ARG A 0 53 . 8.510 7.183 -14.068 1.00 91.99 53 A 1 ATOM 421 C CA . ARG A 0 53 . 8.305 5.866 -14.687 1.00 91.99 53 A 1 ATOM 422 C C . ARG A 0 53 . 7.334 5.050 -13.835 1.00 91.99 53 A 1 ATOM 423 C CB . ARG A 0 53 . 9.636 5.116 -14.853 1.00 91.99 53 A 1 ATOM 424 O O . ARG A 0 53 . 7.478 5.013 -12.614 1.00 91.99 53 A 1 ATOM 425 C CG . ARG A 0 53 . 10.531 5.742 -15.931 1.00 91.99 53 A 1 ATOM 426 C CD . ARG A 0 53 . 11.823 4.931 -16.084 1.00 91.99 53 A 1 ATOM 427 N NE . ARG A 0 53 . 12.655 5.435 -17.193 1.00 91.99 53 A 1 ATOM 428 N NH1 . ARG A 0 53 . 14.564 4.239 -16.723 1.00 91.99 53 A 1 ATOM 429 N NH2 . ARG A 0 53 . 14.521 5.593 -18.491 1.00 91.99 53 A 1 ATOM 430 C CZ . ARG A 0 53 . 13.903 5.087 -17.461 1.00 91.99 53 A 1 ATOM 431 N N . LEU A 0 54 . 6.409 4.343 -14.488 1.00 93.46 54 A 1 ATOM 432 C CA . LEU A 0 54 . 5.391 3.511 -13.835 1.00 93.46 54 A 1 ATOM 433 C C . LEU A 0 54 . 5.994 2.608 -12.748 1.00 93.46 54 A 1 ATOM 434 C CB . LEU A 0 54 . 4.677 2.676 -14.918 1.00 93.46 54 A 1 ATOM 435 O O . LEU A 0 54 . 5.549 2.643 -11.606 1.00 93.46 54 A 1 ATOM 436 C CG . LEU A 0 54 . 3.574 1.741 -14.382 1.00 93.46 54 A 1 ATOM 437 C CD1 . LEU A 0 54 . 2.370 2.527 -13.881 1.00 93.46 54 A 1 ATOM 438 C CD2 . LEU A 0 54 . 3.103 0.797 -15.484 1.00 93.46 54 A 1 ATOM 439 N N . SER A 0 55 . 7.047 1.856 -13.079 1.00 90.98 55 A 1 ATOM 440 C CA . SER A 0 55 . 7.721 0.945 -12.145 1.00 90.98 55 A 1 ATOM 441 C C . SER A 0 55 . 8.253 1.659 -10.899 1.00 90.98 55 A 1 ATOM 442 C CB . SER A 0 55 . 8.870 0.224 -12.858 1.00 90.98 55 A 1 ATOM 443 O O . SER A 0 55 . 8.030 1.195 -9.783 1.00 90.98 55 A 1 ATOM 444 O OG . SER A 0 55 . 9.747 1.149 -13.485 1.00 90.98 55 A 1 ATOM 445 N N . ARG A 0 56 . 8.904 2.815 -11.077 1.00 90.76 56 A 1 ATOM 446 C CA . ARG A 0 56 . 9.469 3.614 -9.982 1.00 90.76 56 A 1 ATOM 447 C C . ARG A 0 56 . 8.371 4.223 -9.112 1.00 90.76 56 A 1 ATOM 448 C CB . ARG A 0 56 . 10.410 4.685 -10.559 1.00 90.76 56 A 1 ATOM 449 O O . ARG A 0 56 . 8.419 4.098 -7.891 1.00 90.76 56 A 1 ATOM 450 C CG . ARG A 0 56 . 11.234 5.355 -9.452 1.00 90.76 56 A 1 ATOM 451 C CD . ARG A 0 56 . 12.156 6.441 -10.016 1.00 90.76 56 A 1 ATOM 452 N NE . ARG A 0 56 . 13.094 6.907 -8.983 1.00 90.76 56 A 1 ATOM 453 N NH1 . ARG A 0 56 . 14.363 8.339 -10.262 1.00 90.76 56 A 1 ATOM 454 N NH2 . ARG A 0 56 . 15.042 7.763 -8.214 1.00 90.76 56 A 1 ATOM 455 C CZ . ARG A 0 56 . 14.155 7.669 -9.160 1.00 90.76 56 A 1 ATOM 456 N N . GLY A 0 57 . 7.362 4.837 -9.730 1.00 93.90 57 A 1 ATOM 457 C CA . GLY A 0 57 . 6.239 5.441 -9.013 1.00 93.90 57 A 1 ATOM 458 C C . GLY A 0 57 . 5.446 4.416 -8.203 1.00 93.90 57 A 1 ATOM 459 O O . GLY A 0 57 . 5.177 4.636 -7.025 1.00 93.90 57 A 1 ATOM 460 N N . VAL A 0 58 . 5.135 3.263 -8.801 1.00 94.65 58 A 1 ATOM 461 C CA . VAL A 0 58 . 4.445 2.160 -8.115 1.00 94.65 58 A 1 ATOM 462 C C . VAL A 0 58 . 5.286 1.630 -6.953 1.00 94.65 58 A 1 ATOM 463 C CB . VAL A 0 58 . 4.094 1.037 -9.113 1.00 94.65 58 A 1 ATOM 464 O O . VAL A 0 58 . 4.735 1.423 -5.872 1.00 94.65 58 A 1 ATOM 465 C CG1 . VAL A 0 58 . 3.560 -0.239 -8.451 1.00 94.65 58 A 1 ATOM 466 C CG2 . VAL A 0 58 . 2.994 1.507 -10.075 1.00 94.65 58 A 1 ATOM 467 N N . ALA A 0 59 . 6.598 1.452 -7.136 1.00 92.75 59 A 1 ATOM 468 C CA . ALA A 0 59 . 7.481 0.977 -6.074 1.00 92.75 59 A 1 ATOM 469 C C . ALA A 0 59 . 7.502 1.928 -4.867 1.00 92.75 59 A 1 ATOM 470 C CB . ALA A 0 59 . 8.885 0.760 -6.649 1.00 92.75 59 A 1 ATOM 471 O O . ALA A 0 59 . 7.301 1.472 -3.743 1.00 92.75 59 A 1 ATOM 472 N N . ILE A 0 60 . 7.676 3.237 -5.094 1.00 93.97 60 A 1 ATOM 473 C CA . ILE A 0 60 . 7.698 4.251 -4.023 1.00 93.97 60 A 1 ATOM 474 C C . ILE A 0 60 . 6.344 4.326 -3.306 1.00 93.97 60 A 1 ATOM 475 C CB . ILE A 0 60 . 8.085 5.640 -4.584 1.00 93.97 60 A 1 ATOM 476 O O . ILE A 0 60 . 6.297 4.366 -2.075 1.00 93.97 60 A 1 ATOM 477 C CG1 . ILE A 0 60 . 9.513 5.655 -5.177 1.00 93.97 60 A 1 ATOM 478 C CG2 . ILE A 0 60 . 7.984 6.723 -3.485 1.00 93.97 60 A 1 ATOM 479 C CD1 . ILE A 0 60 . 9.762 6.882 -6.066 1.00 93.97 60 A 1 ATOM 480 N N . ALA A 0 61 . 5.239 4.348 -4.057 1.00 96.31 61 A 1 ATOM 481 C CA . ALA A 0 61 . 3.904 4.450 -3.474 1.00 96.31 61 A 1 ATOM 482 C C . ALA A 0 61 . 3.566 3.224 -2.617 1.00 96.31 61 A 1 ATOM 483 C CB . ALA A 0 61 . 2.878 4.662 -4.594 1.00 96.31 61 A 1 ATOM 484 O O . ALA A 0 61 . 3.114 3.375 -1.484 1.00 96.31 61 A 1 ATOM 485 N N . ASN A 0 62 . 3.830 2.012 -3.112 1.00 95.46 62 A 1 ATOM 486 C CA . ASN A 0 62 . 3.517 0.787 -2.374 1.00 95.46 62 A 1 ATOM 487 C C . ASN A 0 62 . 4.400 0.604 -1.143 1.00 95.46 62 A 1 ATOM 488 C CB . ASN A 0 62 . 3.617 -0.435 -3.293 1.00 95.46 62 A 1 ATOM 489 O O . ASN A 0 62 . 3.898 0.224 -0.088 1.00 95.46 62 A 1 ATOM 490 C CG . ASN A 0 62 . 2.372 -0.572 -4.135 1.00 95.46 62 A 1 ATOM 491 N ND2 . ASN A 0 62 . 2.373 -0.049 -5.333 1.00 95.46 62 A 1 ATOM 492 O OD1 . ASN A 0 62 . 1.369 -1.110 -3.712 1.00 95.46 62 A 1 ATOM 493 N N . SER A 0 63 . 5.696 0.899 -1.234 1.00 94.54 63 A 1 ATOM 494 C CA . SER A 0 63 . 6.568 0.785 -0.067 1.00 94.54 63 A 1 ATOM 495 C C . SER A 0 63 . 6.199 1.776 1.020 1.00 94.54 63 A 1 ATOM 496 C CB . SER A 0 63 . 8.008 0.986 -0.478 1.00 94.54 63 A 1 ATOM 497 O O . SER A 0 63 . 6.064 1.399 2.183 1.00 94.54 63 A 1 ATOM 498 O OG . SER A 0 63 . 8.264 2.281 -0.987 1.00 94.54 63 A 1 ATOM 499 N N . THR A 0 64 . 5.931 3.019 0.627 1.00 95.54 64 A 1 ATOM 500 C CA . THR A 0 64 . 5.472 4.055 1.546 1.00 95.54 64 A 1 ATOM 501 C C . THR A 0 64 . 4.103 3.695 2.127 1.00 95.54 64 A 1 ATOM 502 C CB . THR A 0 64 . 5.453 5.422 0.856 1.00 95.54 64 A 1 ATOM 503 O O . THR A 0 64 . 3.881 3.908 3.315 1.00 95.54 64 A 1 ATOM 504 C CG2 . THR A 0 64 . 5.134 6.539 1.846 1.00 95.54 64 A 1 ATOM 505 O OG1 . THR A 0 64 . 6.706 5.713 0.286 1.00 95.54 64 A 1 ATOM 506 N N . ALA A 0 65 . 3.210 3.070 1.349 1.00 97.35 65 A 1 ATOM 507 C CA . ALA A 0 65 . 1.931 2.562 1.845 1.00 97.35 65 A 1 ATOM 508 C C . ALA A 0 65 . 2.089 1.446 2.874 1.00 97.35 65 A 1 ATOM 509 C CB . ALA A 0 65 . 1.054 2.107 0.671 1.00 97.35 65 A 1 ATOM 510 O O . ALA A 0 65 . 1.375 1.445 3.876 1.00 97.35 65 A 1 ATOM 511 N N . LEU A 0 66 . 3.025 0.518 2.685 1.00 94.49 66 A 1 ATOM 512 C CA . LEU A 0 66 . 3.295 -0.532 3.668 1.00 94.49 66 A 1 ATOM 513 C C . LEU A 0 66 . 3.856 0.056 4.970 1.00 94.49 66 A 1 ATOM 514 C CB . LEU A 0 66 . 4.233 -1.581 3.048 1.00 94.49 66 A 1 ATOM 515 O O . LEU A 0 66 . 3.392 -0.310 6.051 1.00 94.49 66 A 1 ATOM 516 C CG . LEU A 0 66 . 3.571 -2.410 1.929 1.00 94.49 66 A 1 ATOM 517 C CD1 . LEU A 0 66 . 4.601 -3.227 1.150 1.00 94.49 66 A 1 ATOM 518 C CD2 . LEU A 0 66 . 2.526 -3.382 2.483 1.00 94.49 66 A 1 ATOM 519 N N . LEU A 0 67 . 4.770 1.027 4.878 1.00 94.06 67 A 1 ATOM 520 C CA . LEU A 0 67 . 5.293 1.754 6.040 1.00 94.06 67 A 1 ATOM 521 C C . LEU A 0 67 . 4.201 2.540 6.767 1.00 94.06 67 A 1 ATOM 522 C CB . LEU A 0 67 . 6.415 2.710 5.598 1.00 94.06 67 A 1 ATOM 523 O O . LEU A 0 67 . 4.033 2.398 7.977 1.00 94.06 67 A 1 ATOM 524 C CG . LEU A 0 67 . 7.674 2.013 5.068 1.00 94.06 67 A 1 ATOM 525 C CD1 . LEU A 0 67 . 8.665 3.052 4.550 1.00 94.06 67 A 1 ATOM 526 C CD2 . LEU A 0 67 . 8.346 1.191 6.155 1.00 94.06 67 A 1 ATOM 527 N N . ALA A 0 68 . 3.417 3.326 6.033 1.00 96.27 68 A 1 ATOM 528 C CA . ALA A 0 68 . 2.312 4.092 6.591 1.00 96.27 68 A 1 ATOM 529 C C . ALA A 0 68 . 1.237 3.181 7.192 1.00 96.27 68 A 1 ATOM 530 C CB . ALA A 0 68 . 1.748 4.998 5.496 1.00 96.27 68 A 1 ATOM 531 O O . ALA A 0 68 . 0.672 3.520 8.228 1.00 96.27 68 A 1 ATOM 532 N N . SER A 0 69 . 0.992 2.005 6.609 1.00 95.57 69 A 1 ATOM 533 C CA . SER A 0 69 . 0.088 1.002 7.181 1.00 95.57 69 A 1 ATOM 534 C C . SER A 0 69 . 0.614 0.490 8.520 1.00 95.57 69 A 1 ATOM 535 C CB . SER A 0 69 . -0.092 -0.201 6.250 1.00 95.57 69 A 1 ATOM 536 O O . SER A 0 69 . -0.114 0.489 9.509 1.00 95.57 69 A 1 ATOM 537 O OG . SER A 0 69 . -0.658 0.176 5.020 1.00 95.57 69 A 1 ATOM 538 N N . ALA A 0 70 . 1.888 0.096 8.579 1.00 93.05 70 A 1 ATOM 539 C CA . ALA A 0 70 . 2.513 -0.386 9.807 1.00 93.05 70 A 1 ATOM 540 C C . ALA A 0 70 . 2.470 0.677 10.920 1.00 93.05 70 A 1 ATOM 541 C CB . ALA A 0 70 . 3.946 -0.818 9.476 1.00 93.05 70 A 1 ATOM 542 O O . ALA A 0 70 . 2.028 0.392 12.034 1.00 93.05 70 A 1 ATOM 543 N N . LEU A 0 71 . 2.841 1.919 10.592 1.00 93.11 71 A 1 ATOM 544 C CA . LEU A 0 71 . 2.805 3.049 11.522 1.00 93.11 71 A 1 ATOM 545 C C . LEU A 0 71 . 1.380 3.386 11.966 1.00 93.11 71 A 1 ATOM 546 C CB . LEU A 0 71 . 3.463 4.275 10.867 1.00 93.11 71 A 1 ATOM 547 O O . LEU A 0 71 . 1.136 3.550 13.156 1.00 93.11 71 A 1 ATOM 548 C CG . LEU A 0 71 . 4.986 4.162 10.679 1.00 93.11 71 A 1 ATOM 549 C CD1 . LEU A 0 71 . 5.481 5.373 9.888 1.00 93.11 71 A 1 ATOM 550 C CD2 . LEU A 0 71 . 5.731 4.119 12.015 1.00 93.11 71 A 1 ATOM 551 N N . THR A 0 72 . 0.418 3.441 11.044 1.00 95.17 72 A 1 ATOM 552 C CA . THR A 0 72 . -0.982 3.735 11.387 1.00 95.17 72 A 1 ATOM 553 C C . THR A 0 72 . -1.561 2.645 12.285 1.00 95.17 72 A 1 ATOM 554 C CB . THR A 0 72 . -1.853 3.904 10.133 1.00 95.17 72 A 1 ATOM 555 O O . THR A 0 72 . -2.208 2.948 13.285 1.00 95.17 72 A 1 ATOM 556 C CG2 . THR A 0 72 . -3.279 4.344 10.465 1.00 95.17 72 A 1 ATOM 557 O OG1 . THR A 0 72 . -1.316 4.916 9.322 1.00 95.17 72 A 1 ATOM 558 N N . SER A 0 73 . -1.292 1.373 11.983 1.00 94.22 73 A 1 ATOM 559 C CA . SER A 0 73 . -1.760 0.248 12.800 1.00 94.22 73 A 1 ATOM 560 C C . SER A 0 73 . -1.157 0.292 14.207 1.00 94.22 73 A 1 ATOM 561 C CB . SER A 0 73 . -1.422 -1.073 12.102 1.00 94.22 73 A 1 ATOM 562 O O . SER A 0 73 . -1.884 0.147 15.189 1.00 94.22 73 A 1 ATOM 563 O OG . SER A 0 73 . -2.355 -2.081 12.432 1.00 94.22 73 A 1 ATOM 564 N N . SER A 0 74 . 0.149 0.554 14.319 1.00 92.65 74 A 1 ATOM 565 C CA . SER A 0 74 . 0.850 0.589 15.607 1.00 92.65 74 A 1 ATOM 566 C C . SER A 0 74 . 0.528 1.833 16.440 1.00 92.65 74 A 1 ATOM 567 C CB . SER A 0 74 . 2.360 0.506 15.373 1.00 92.65 74 A 1 ATOM 568 O O . SER A 0 74 . 0.372 1.716 17.651 1.00 92.65 74 A 1 ATOM 569 O OG . SER A 0 74 . 3.042 0.348 16.602 1.00 92.65 74 A 1 ATOM 570 N N . CYS A 0 75 . 0.446 3.020 15.832 1.00 93.09 75 A 1 ATOM 571 C CA . CYS A 0 75 . 0.296 4.285 16.561 1.00 93.09 75 A 1 ATOM 572 C C . CYS A 0 75 . -1.166 4.673 16.803 1.00 93.09 75 A 1 ATOM 573 C CB . CYS A 0 75 . 1.012 5.411 15.800 1.00 93.09 75 A 1 ATOM 574 O O . CYS A 0 75 . -1.473 5.258 17.835 1.00 93.09 75 A 1 ATOM 575 S SG . CYS A 0 75 . 2.800 5.102 15.716 1.00 93.09 75 A 1 ATOM 576 N N . VAL A 0 76 . -2.069 4.389 15.858 1.00 93.77 76 A 1 ATOM 577 C CA . VAL A 0 76 . -3.481 4.805 15.964 1.00 93.77 76 A 1 ATOM 578 C C . VAL A 0 76 . -4.328 3.710 16.602 1.00 93.77 76 A 1 ATOM 579 C CB . VAL A 0 76 . -4.056 5.223 14.595 1.00 93.77 76 A 1 ATOM 580 O O . VAL A 0 76 . -5.194 3.996 17.427 1.00 93.77 76 A 1 ATOM 581 C CG1 . VAL A 0 76 . -5.487 5.761 14.711 1.00 93.77 76 A 1 ATOM 582 C CG2 . VAL A 0 76 . -3.194 6.311 13.938 1.00 93.77 76 A 1 ATOM 583 N N . TYR A 0 77 . -4.074 2.453 16.237 1.00 93.61 77 A 1 ATOM 584 C CA . TYR A 0 77 . -4.873 1.310 16.688 1.00 93.61 77 A 1 ATOM 585 C C . TYR A 0 77 . -4.154 0.415 17.703 1.00 93.61 77 A 1 ATOM 586 C CB . TYR A 0 77 . -5.407 0.551 15.469 1.00 93.61 77 A 1 ATOM 587 O O . TYR A 0 77 . -4.745 -0.557 18.165 1.00 93.61 77 A 1 ATOM 588 C CG . TYR A 0 77 . -6.351 1.392 14.628 1.00 93.61 77 A 1 ATOM 589 C CD1 . TYR A 0 77 . -7.682 1.578 15.047 1.00 93.61 77 A 1 ATOM 590 C CD2 . TYR A 0 77 . -5.888 2.031 13.462 1.00 93.61 77 A 1 ATOM 591 C CE1 . TYR A 0 77 . -8.557 2.382 14.291 1.00 93.61 77 A 1 ATOM 592 C CE2 . TYR A 0 77 . -6.759 2.836 12.702 1.00 93.61 77 A 1 ATOM 593 O OH . TYR A 0 77 . -8.933 3.787 12.377 1.00 93.61 77 A 1 ATOM 594 C CZ . TYR A 0 77 . -8.098 3.004 13.112 1.00 93.61 77 A 1 ATOM 595 N N . HIS A 0 78 . -2.923 0.767 18.096 1.00 90.89 78 A 1 ATOM 596 C CA . HIS A 0 78 . -2.123 0.054 19.099 1.00 90.89 78 A 1 ATOM 597 C C . HIS A 0 78 . -1.944 -1.446 18.806 1.00 90.89 78 A 1 ATOM 598 C CB . HIS A 0 78 . -2.640 0.357 20.512 1.00 90.89 78 A 1 ATOM 599 O O . HIS A 0 78 . -1.790 -2.261 19.721 1.00 90.89 78 A 1 ATOM 600 C CG . HIS A 0 78 . -2.675 1.830 20.828 1.00 90.89 78 A 1 ATOM 601 C CD2 . HIS A 0 78 . -1.608 2.622 21.155 1.00 90.89 78 A 1 ATOM 602 N ND1 . HIS A 0 78 . -3.792 2.633 20.828 1.00 90.89 78 A 1 ATOM 603 C CE1 . HIS A 0 78 . -3.407 3.877 21.156 1.00 90.89 78 A 1 ATOM 604 N NE2 . HIS A 0 78 . -2.086 3.915 21.381 1.00 90.89 78 A 1 ATOM 605 N N . ASP A 0 79 . -1.940 -1.818 17.524 1.00 89.13 79 A 1 ATOM 606 C CA . ASP A 0 79 . -1.660 -3.187 17.109 1.00 89.13 79 A 1 ATOM 607 C C . ASP A 0 79 . -0.197 -3.528 17.409 1.00 89.13 79 A 1 ATOM 608 C CB . ASP A 0 79 . -1.973 -3.392 15.617 1.00 89.13 79 A 1 ATOM 609 O O . ASP A 0 79 . 0.731 -2.816 17.014 1.00 89.13 79 A 1 ATOM 610 C CG . ASP A 0 79 . -3.261 -4.171 15.337 1.00 89.13 79 A 1 ATOM 611 O OD1 . ASP A 0 79 . -4.157 -4.244 16.208 1.00 89.13 79 A 1 ATOM 612 O OD2 . ASP A 0 79 . -3.353 -4.696 14.203 1.00 89.13 79 A 1 ATOM 613 N N . LYS A 0 80 . 0.027 -4.661 18.080 1.00 86.69 80 A 1 ATOM 614 C CA . LYS A 0 80 . 1.380 -5.155 18.348 1.00 86.69 80 A 1 ATOM 615 C C . LYS A 0 80 . 2.000 -5.680 17.058 1.00 86.69 80 A 1 ATOM 616 C CB . LYS A 0 80 . 1.378 -6.214 19.459 1.00 86.69 80 A 1 ATOM 617 O O . LYS A 0 80 . 1.659 -6.768 16.588 1.00 86.69 80 A 1 ATOM 618 C CG . LYS A 0 80 . 1.022 -5.600 20.820 1.00 86.69 80 A 1 ATOM 619 C CD . LYS A 0 80 . 1.154 -6.638 21.941 1.00 86.69 80 A 1 ATOM 620 C CE . LYS A 0 80 . 0.797 -5.984 23.282 1.00 86.69 80 A 1 ATOM 621 N NZ . LYS A 0 80 . 0.954 -6.926 24.419 1.00 86.69 80 A 1 ATOM 622 N N . MET A 0 81 . 2.946 -4.925 16.507 1.00 85.23 81 A 1 ATOM 623 C CA . MET A 0 81 . 3.720 -5.360 15.351 1.00 85.23 81 A 1 ATOM 624 C C . MET A 0 81 . 4.586 -6.565 15.731 1.00 85.23 81 A 1 ATOM 625 C CB . MET A 0 81 . 4.532 -4.184 14.798 1.00 85.23 81 A 1 ATOM 626 O O . MET A 0 81 . 5.436 -6.495 16.618 1.00 85.23 81 A 1 ATOM 627 C CG . MET A 0 81 . 5.042 -4.452 13.379 1.00 85.23 81 A 1 ATOM 628 S SD . MET A 0 81 . 5.347 -2.907 12.487 1.00 85.23 81 A 1 ATOM 629 C CE . MET A 0 81 . 7.122 -2.997 12.222 1.00 85.23 81 A 1 ATOM 630 N N . LYS A 0 82 . 4.345 -7.704 15.074 1.00 90.47 82 A 1 ATOM 631 C CA . LYS A 0 82 . 5.159 -8.913 15.257 1.00 90.47 82 A 1 ATOM 632 C C . LYS A 0 82 . 6.579 -8.668 14.748 1.00 90.47 82 A 1 ATOM 633 C CB . LYS A 0 82 . 4.515 -10.114 14.544 1.00 90.47 82 A 1 ATOM 634 O O . LYS A 0 82 . 6.771 -7.894 13.813 1.00 90.47 82 A 1 ATOM 635 C CG . LYS A 0 82 . 3.177 -10.528 15.179 1.00 90.47 82 A 1 ATOM 636 C CD . LYS A 0 82 . 2.609 -11.780 14.493 1.00 90.47 82 A 1 ATOM 637 C CE . LYS A 0 82 . 1.295 -12.202 15.165 1.00 90.47 82 A 1 ATOM 638 N NZ . LYS A 0 82 . 0.719 -13.422 14.539 1.00 90.47 82 A 1 ATOM 639 N N . PHE A 0 83 . 7.551 -9.413 15.279 1.00 89.29 83 A 1 ATOM 640 C CA . PHE A 0 83 . 8.946 -9.357 14.825 1.00 89.29 83 A 1 ATOM 641 C C . PHE A 0 83 . 9.083 -9.540 13.302 1.00 89.29 83 A 1 ATOM 642 C CB . PHE A 0 83 . 9.753 -10.424 15.576 1.00 89.29 83 A 1 ATOM 643 O O . PHE A 0 83 . 9.806 -8.794 12.651 1.00 89.29 83 A 1 ATOM 644 C CG . PHE A 0 83 . 11.225 -10.423 15.216 1.00 89.29 83 A 1 ATOM 645 C CD1 . PHE A 0 83 . 11.758 -11.420 14.375 1.00 89.29 83 A 1 ATOM 646 C CD2 . PHE A 0 83 . 12.061 -9.402 15.706 1.00 89.29 83 A 1 ATOM 647 C CE1 . PHE A 0 83 . 13.121 -11.394 14.029 1.00 89.29 83 A 1 ATOM 648 C CE2 . PHE A 0 83 . 13.422 -9.378 15.359 1.00 89.29 83 A 1 ATOM 649 C CZ . PHE A 0 83 . 13.952 -10.373 14.521 1.00 89.29 83 A 1 ATOM 650 N N . SER A 0 84 . 8.310 -10.459 12.712 1.00 90.81 84 A 1 ATOM 651 C CA . SER A 0 84 . 8.257 -10.650 11.257 1.00 90.81 84 A 1 ATOM 652 C C . SER A 0 84 . 7.784 -9.406 10.495 1.00 90.81 84 A 1 ATOM 653 C CB . SER A 0 84 . 7.338 -11.828 10.918 1.00 90.81 84 A 1 ATOM 654 O O . SER A 0 84 . 8.279 -9.136 9.405 1.00 90.81 84 A 1 ATOM 655 O OG . SER A 0 84 . 6.042 -11.653 11.474 1.00 90.81 84 A 1 ATOM 656 N N . GLY A 0 85 . 6.868 -8.624 11.074 1.00 88.39 85 A 1 ATOM 657 C CA . GLY A 0 85 . 6.420 -7.349 10.516 1.00 88.39 85 A 1 ATOM 658 C C . GLY A 0 85 . 7.534 -6.304 10.510 1.00 88.39 85 A 1 ATOM 659 O O . GLY A 0 85 . 7.734 -5.639 9.498 1.00 88.39 85 A 1 ATOM 660 N N . SER A 0 86 . 8.311 -6.209 11.594 1.00 88.39 86 A 1 ATOM 661 C CA . SER A 0 86 . 9.488 -5.326 11.678 1.00 88.39 86 A 1 ATOM 662 C C . SER A 0 86 . 10.545 -5.676 10.641 1.00 88.39 86 A 1 ATOM 663 C CB . SER A 0 86 . 10.092 -5.356 13.084 1.00 88.39 86 A 1 ATOM 664 O O . SER A 0 86 . 11.027 -4.791 9.936 1.00 88.39 86 A 1 ATOM 665 O OG . SER A 0 86 . 9.100 -5.065 14.050 1.00 88.39 86 A 1 ATOM 666 N N . VAL A 0 87 . 10.853 -6.965 10.485 1.00 93.96 87 A 1 ATOM 667 C CA . VAL A 0 87 . 11.778 -7.438 9.444 1.00 93.96 87 A 1 ATOM 668 C C . VAL A 0 87 . 11.240 -7.113 8.046 1.00 93.96 87 A 1 ATOM 669 C CB . VAL A 0 87 . 12.050 -8.945 9.606 1.00 93.96 87 A 1 ATOM 670 O O . VAL A 0 87 . 11.990 -6.623 7.204 1.00 93.96 87 A 1 ATOM 671 C CG1 . VAL A 0 87 . 12.937 -9.493 8.482 1.00 93.96 87 A 1 ATOM 672 C CG2 . VAL A 0 87 . 12.766 -9.234 10.934 1.00 93.96 87 A 1 ATOM 673 N N . GLY A 0 88 . 9.940 -7.312 7.807 1.00 93.21 88 A 1 ATOM 674 C CA . GLY A 0 88 . 9.297 -6.969 6.536 1.00 93.21 88 A 1 ATOM 675 C C . GLY A 0 88 . 9.395 -5.479 6.200 1.00 93.21 88 A 1 ATOM 676 O O . GLY A 0 88 . 9.764 -5.128 5.083 1.00 93.21 88 A 1 ATOM 677 N N . VAL A 0 89 . 9.140 -4.603 7.174 1.00 89.96 89 A 1 ATOM 678 C CA . VAL A 0 89 . 9.294 -3.144 7.038 1.00 89.96 89 A 1 ATOM 679 C C . VAL A 0 89 . 10.723 -2.767 6.640 1.00 89.96 89 A 1 ATOM 680 C CB . VAL A 0 89 . 8.854 -2.458 8.350 1.00 89.96 89 A 1 ATOM 681 O O . VAL A 0 89 . 10.912 -2.017 5.683 1.00 89.96 89 A 1 ATOM 682 C CG1 . VAL A 0 89 . 9.445 -1.061 8.555 1.00 89.96 89 A 1 ATOM 683 C CG2 . VAL A 0 89 . 7.324 -2.377 8.400 1.00 89.96 89 A 1 ATOM 684 N N . VAL A 0 90 . 11.731 -3.329 7.315 1.00 91.85 90 A 1 ATOM 685 C CA . VAL A 0 90 . 13.144 -3.086 6.980 1.00 91.85 90 A 1 ATOM 686 C C . VAL A 0 90 . 13.461 -3.569 5.563 1.00 91.85 90 A 1 ATOM 687 C CB . VAL A 0 90 . 14.073 -3.747 8.018 1.00 91.85 90 A 1 ATOM 688 O O . VAL A 0 90 . 14.083 -2.837 4.793 1.00 91.85 90 A 1 ATOM 689 C CG1 . VAL A 0 90 . 15.553 -3.644 7.627 1.00 91.85 90 A 1 ATOM 690 C CG2 . VAL A 0 90 . 13.919 -3.071 9.388 1.00 91.85 90 A 1 ATOM 691 N N . LEU A 0 91 . 12.990 -4.759 5.183 1.00 93.71 91 A 1 ATOM 692 C CA . LEU A 0 91 . 13.213 -5.323 3.851 1.00 93.71 91 A 1 ATOM 693 C C . LEU A 0 91 . 12.598 -4.452 2.742 1.00 93.71 91 A 1 ATOM 694 C CB . LEU A 0 91 . 12.645 -6.754 3.836 1.00 93.71 91 A 1 ATOM 695 O O . LEU A 0 91 . 13.222 -4.249 1.702 1.00 93.71 91 A 1 ATOM 696 C CG . LEU A 0 91 . 13.018 -7.567 2.584 1.00 93.71 91 A 1 ATOM 697 C CD1 . LEU A 0 91 . 14.516 -7.875 2.531 1.00 93.71 91 A 1 ATOM 698 C CD2 . LEU A 0 91 . 12.257 -8.893 2.598 1.00 93.71 91 A 1 ATOM 699 N N . ILE A 0 92 . 11.410 -3.890 2.978 1.00 91.03 92 A 1 ATOM 700 C CA . ILE A 0 92 . 10.743 -2.961 2.055 1.00 91.03 92 A 1 ATOM 701 C C . ILE A 0 92 . 11.543 -1.659 1.915 1.00 91.03 92 A 1 ATOM 702 C CB . ILE A 0 92 . 9.298 -2.702 2.535 1.00 91.03 92 A 1 ATOM 703 O O . ILE A 0 92 . 11.748 -1.189 0.792 1.00 91.03 92 A 1 ATOM 704 C CG1 . ILE A 0 92 . 8.434 -3.970 2.361 1.00 91.03 92 A 1 ATOM 705 C CG2 . ILE A 0 92 . 8.646 -1.532 1.779 1.00 91.03 92 A 1 ATOM 706 C CD1 . ILE A 0 92 . 7.218 -3.966 3.292 1.00 91.03 92 A 1 ATOM 707 N N . CYS A 0 93 . 12.032 -1.087 3.021 1.00 87.15 93 A 1 ATOM 708 C CA . CYS A 0 93 . 12.891 0.102 2.987 1.00 87.15 93 A 1 ATOM 709 C C . CYS A 0 93 . 14.160 -0.146 2.161 1.00 87.15 93 A 1 ATOM 710 C CB . CYS A 0 93 . 13.274 0.510 4.415 1.00 87.15 93 A 1 ATOM 711 O O . CYS A 0 93 . 14.490 0.653 1.286 1.00 87.15 93 A 1 ATOM 712 S SG . CYS A 0 93 . 11.852 1.224 5.275 1.00 87.15 93 A 1 ATOM 713 N N . VAL A 0 94 . 14.840 -1.274 2.390 1.00 91.35 94 A 1 ATOM 714 C CA . VAL A 0 94 . 16.059 -1.640 1.651 1.00 91.35 94 A 1 ATOM 715 C C . VAL A 0 94 . 15.755 -1.857 0.169 1.00 91.35 94 A 1 ATOM 716 C CB . VAL A 0 94 . 16.726 -2.882 2.274 1.00 91.35 94 A 1 ATOM 717 O O . VAL A 0 94 . 16.398 -1.246 -0.684 1.00 91.35 94 A 1 ATOM 718 C CG1 . VAL A 0 94 . 17.908 -3.387 1.436 1.00 91.35 94 A 1 ATOM 719 C CG2 . VAL A 0 94 . 17.263 -2.563 3.675 1.00 91.35 94 A 1 ATOM 720 N N . GLY A 0 95 . 14.742 -2.667 -0.153 1.00 89.77 95 A 1 ATOM 721 C CA . GLY A 0 95 . 14.364 -2.954 -1.538 1.00 89.77 95 A 1 ATOM 722 C C . GLY A 0 95 . 13.976 -1.697 -2.315 1.00 89.77 95 A 1 ATOM 723 O O . GLY A 0 95 . 14.322 -1.553 -3.485 1.00 89.77 95 A 1 ATOM 724 N N . THR A 0 96 . 13.319 -0.738 -1.663 1.00 84.47 96 A 1 ATOM 725 C CA . THR A 0 96 . 12.948 0.521 -2.321 1.00 84.47 96 A 1 ATOM 726 C C . THR A 0 96 . 14.070 1.534 -2.412 1.00 84.47 96 A 1 ATOM 727 C CB . THR A 0 96 . 11.695 1.138 -1.722 1.00 84.47 96 A 1 ATOM 728 O O . THR A 0 96 . 14.115 2.254 -3.407 1.00 84.47 96 A 1 ATOM 729 C CG2 . THR A 0 96 . 10.539 0.202 -2.057 1.00 84.47 96 A 1 ATOM 730 O OG1 . THR A 0 96 . 11.773 1.318 -0.327 1.00 84.47 96 A 1 ATOM 731 N N . GLY A 0 97 . 15.011 1.546 -1.468 1.00 85.59 97 A 1 ATOM 732 C CA . GLY A 0 97 . 16.270 2.273 -1.625 1.00 85.59 97 A 1 ATOM 733 C C . GLY A 0 97 . 17.061 1.778 -2.840 1.00 85.59 97 A 1 ATOM 734 O O . GLY A 0 97 . 17.473 2.584 -3.673 1.00 85.59 97 A 1 ATOM 735 N N . LEU A 0 98 . 17.178 0.455 -3.000 1.00 88.24 98 A 1 ATOM 736 C CA . LEU A 0 98 . 17.868 -0.163 -4.140 1.00 88.24 98 A 1 ATOM 737 C C . LEU A 0 98 . 17.185 0.134 -5.482 1.00 88.24 98 A 1 ATOM 738 C CB . LEU A 0 98 . 17.973 -1.683 -3.921 1.00 88.24 98 A 1 ATOM 739 O O . LEU A 0 98 . 17.868 0.418 -6.456 1.00 88.24 98 A 1 ATOM 740 C CG . LEU A 0 98 . 18.931 -2.109 -2.795 1.00 88.24 98 A 1 ATOM 741 C CD1 . LEU A 0 98 . 18.816 -3.620 -2.577 1.00 88.24 98 A 1 ATOM 742 C CD2 . LEU A 0 98 . 20.389 -1.781 -3.117 1.00 88.24 98 A 1 ATOM 743 N N . LEU A 0 99 . 15.849 0.127 -5.541 1.00 81.30 99 A 1 ATOM 744 C CA . LEU A 0 99 . 15.107 0.475 -6.764 1.00 81.30 99 A 1 ATOM 745 C C . LEU A 0 99 . 15.220 1.955 -7.165 1.00 81.30 99 A 1 ATOM 746 C CB . LEU A 0 99 . 13.622 0.115 -6.575 1.00 81.30 99 A 1 ATOM 747 O O . LEU A 0 99 . 14.864 2.307 -8.290 1.00 81.30 99 A 1 ATOM 748 C CG . LEU A 0 99 . 13.310 -1.387 -6.665 1.00 81.30 99 A 1 ATOM 749 C CD1 . LEU A 0 99 . 11.855 -1.618 -6.253 1.00 81.30 99 A 1 ATOM 750 C CD2 . LEU A 0 99 . 13.488 -1.929 -8.086 1.00 81.30 99 A 1 ATOM 751 N N . ASN A 0 100 . 15.630 2.828 -6.241 1.00 75.24 100 A 1 ATOM 752 C CA . ASN A 0 100 . 15.749 4.268 -6.470 1.00 75.24 100 A 1 ATOM 753 C C . ASN A 0 100 . 17.192 4.764 -6.623 1.00 75.24 100 A 1 ATOM 754 C CB . ASN A 0 100 . 15.016 5.014 -5.343 1.00 75.24 100 A 1 ATOM 755 O O . ASN A 0 100 . 17.351 5.960 -6.887 1.00 75.24 100 A 1 ATOM 756 C CG . ASN A 0 100 . 13.526 5.024 -5.571 1.00 75.24 100 A 1 ATOM 757 N ND2 . ASN A 0 100 . 12.777 4.217 -4.865 1.00 75.24 100 A 1 ATOM 758 O OD1 . ASN A 0 100 . 13.024 5.759 -6.409 1.00 75.24 100 A 1 ATOM 759 N N . SER A 0 101 . 18.179 3.882 -6.437 1.00 76.72 101 A 1 ATOM 760 C CA . SER A 0 101 . 19.603 4.144 -6.690 1.00 76.72 101 A 1 ATOM 761 C C . SER A 0 101 . 19.891 4.115 -8.188 1.00 76.72 101 A 1 ATOM 762 C CB . SER A 0 101 . 20.465 3.106 -5.972 1.00 76.72 101 A 1 ATOM 763 O O . SER A 0 101 . 20.665 4.983 -8.640 1.00 76.72 101 A 1 ATOM 764 O OG . SER A 0 101 . 20.184 3.153 -4.584 1.00 76.72 101 A 1 ATOM 765 O OXT . SER A 0 101 . 19.297 3.237 -8.850 1.00 76.72 101 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 93.48 # loop_ _atom_type.symbol C N O S #