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 ARG 0 3 PHE 0 4 THR 0 5 PRO 0 6 PRO 0 7 ARG 0 8 ARG 0 9 ALA 0 10 ARG 0 11 ARG 0 12 ARG 0 13 ILE 0 14 ALA 0 15 GLY 0 16 LEU 0 17 VAL 0 18 ILE 0 19 PRO 0 20 TRP 0 21 MET 0 22 LEU 0 23 SER 0 24 ARG 0 25 LYS 0 26 THR 0 27 LEU 0 28 ARG 0 29 CYS 0 30 LEU 0 31 LEU 0 32 ALA 0 33 PRO 0 34 PRO 0 35 LEU 0 36 PRO 0 37 ASN 0 38 PRO 0 39 LEU 0 40 PRO 0 41 PRO 0 42 LEU 0 43 PRO 0 44 ARG 0 45 PRO 0 46 ASP 0 47 MET 0 48 ILE 0 49 HIS 0 50 LYS 0 51 ASP 0 52 ARG # 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 . 6.641 15.002 -37.317 1.00 50.41 1 A 1 ATOM 2 C CA . MET A 0 1 . 7.433 14.139 -36.408 1.00 50.41 1 A 1 ATOM 3 C C . MET A 0 1 . 6.478 13.372 -35.502 1.00 50.41 1 A 1 ATOM 4 C CB . MET A 0 1 . 8.395 14.982 -35.555 1.00 50.41 1 A 1 ATOM 5 O O . MET A 0 1 . 5.770 13.997 -34.725 1.00 50.41 1 A 1 ATOM 6 C CG . MET A 0 1 . 9.507 15.627 -36.388 1.00 50.41 1 A 1 ATOM 7 S SD . MET A 0 1 . 10.524 16.756 -35.412 1.00 50.41 1 A 1 ATOM 8 C CE . MET A 0 1 . 11.490 17.550 -36.727 1.00 50.41 1 A 1 ATOM 9 N N . ARG A 0 2 . 6.374 12.043 -35.633 1.00 58.24 2 A 1 ATOM 10 C CA . ARG A 0 2 . 5.481 11.234 -34.786 1.00 58.24 2 A 1 ATOM 11 C C . ARG A 0 2 . 6.258 10.832 -33.531 1.00 58.24 2 A 1 ATOM 12 C CB . ARG A 0 2 . 4.927 10.046 -35.607 1.00 58.24 2 A 1 ATOM 13 O O . ARG A 0 2 . 7.130 9.975 -33.603 1.00 58.24 2 A 1 ATOM 14 C CG . ARG A 0 2 . 3.581 9.506 -35.091 1.00 58.24 2 A 1 ATOM 15 C CD . ARG A 0 2 . 3.035 8.431 -36.048 1.00 58.24 2 A 1 ATOM 16 N NE . ARG A 0 2 . 1.644 8.041 -35.730 1.00 58.24 2 A 1 ATOM 17 N NH1 . ARG A 0 2 . 1.620 6.017 -36.829 1.00 58.24 2 A 1 ATOM 18 N NH2 . ARG A 0 2 . -0.237 6.751 -35.843 1.00 58.24 2 A 1 ATOM 19 C CZ . ARG A 0 2 . 1.020 6.943 -36.132 1.00 58.24 2 A 1 ATOM 20 N N . PHE A 0 3 . 5.974 11.476 -32.400 1.00 65.40 3 A 1 ATOM 21 C CA . PHE A 0 3 . 6.525 11.106 -31.094 1.00 65.40 3 A 1 ATOM 22 C C . PHE A 0 3 . 5.935 9.761 -30.651 1.00 65.40 3 A 1 ATOM 23 C CB . PHE A 0 3 . 6.251 12.215 -30.059 1.00 65.40 3 A 1 ATOM 24 O O . PHE A 0 3 . 4.993 9.702 -29.866 1.00 65.40 3 A 1 ATOM 25 C CG . PHE A 0 3 . 7.241 13.362 -30.073 1.00 65.40 3 A 1 ATOM 26 C CD1 . PHE A 0 3 . 8.425 13.268 -29.314 1.00 65.40 3 A 1 ATOM 27 C CD2 . PHE A 0 3 . 6.969 14.537 -30.800 1.00 65.40 3 A 1 ATOM 28 C CE1 . PHE A 0 3 . 9.331 14.343 -29.281 1.00 65.40 3 A 1 ATOM 29 C CE2 . PHE A 0 3 . 7.878 15.611 -30.766 1.00 65.40 3 A 1 ATOM 30 C CZ . PHE A 0 3 . 9.056 15.514 -30.006 1.00 65.40 3 A 1 ATOM 31 N N . THR A 0 4 . 6.456 8.652 -31.172 1.00 64.91 4 A 1 ATOM 32 C CA . THR A 0 4 . 6.241 7.342 -30.551 1.00 64.91 4 A 1 ATOM 33 C C . THR A 0 4 . 7.102 7.285 -29.291 1.00 64.91 4 A 1 ATOM 34 C CB . THR A 0 4 . 6.588 6.182 -31.491 1.00 64.91 4 A 1 ATOM 35 O O . THR A 0 4 . 8.329 7.250 -29.417 1.00 64.91 4 A 1 ATOM 36 C CG2 . THR A 0 4 . 5.443 5.911 -32.465 1.00 64.91 4 A 1 ATOM 37 O OG1 . THR A 0 4 . 7.738 6.466 -32.249 1.00 64.91 4 A 1 ATOM 38 N N . PRO A 0 5 . 6.513 7.299 -28.079 1.00 66.78 5 A 1 ATOM 39 C CA . PRO A 0 5 . 7.297 7.275 -26.854 1.00 66.78 5 A 1 ATOM 40 C C . PRO A 0 5 . 8.146 5.997 -26.827 1.00 66.78 5 A 1 ATOM 41 C CB . PRO A 0 5 . 6.289 7.353 -25.703 1.00 66.78 5 A 1 ATOM 42 O O . PRO A 0 5 . 7.632 4.915 -27.143 1.00 66.78 5 A 1 ATOM 43 C CG . PRO A 0 5 . 4.996 6.816 -26.317 1.00 66.78 5 A 1 ATOM 44 C CD . PRO A 0 5 . 5.091 7.256 -27.774 1.00 66.78 5 A 1 ATOM 45 N N . PRO A 0 6 . 9.440 6.079 -26.462 1.00 69.77 6 A 1 ATOM 46 C CA . PRO A 0 6 . 10.311 4.916 -26.448 1.00 69.77 6 A 1 ATOM 47 C C . PRO A 0 6 . 9.683 3.853 -25.546 1.00 69.77 6 A 1 ATOM 48 C CB . PRO A 0 6 . 11.679 5.417 -25.961 1.00 69.77 6 A 1 ATOM 49 O O . PRO A 0 6 . 9.366 4.120 -24.386 1.00 69.77 6 A 1 ATOM 50 C CG . PRO A 0 6 . 11.363 6.725 -25.234 1.00 69.77 6 A 1 ATOM 51 C CD . PRO A 0 6 . 10.138 7.256 -25.972 1.00 69.77 6 A 1 ATOM 52 N N . ARG A 0 7 . 9.499 2.629 -26.063 1.00 68.28 7 A 1 ATOM 53 C CA . ARG A 0 7 . 8.839 1.509 -25.350 1.00 68.28 7 A 1 ATOM 54 C C . ARG A 0 7 . 9.387 1.280 -23.928 1.00 68.28 7 A 1 ATOM 55 C CB . ARG A 0 7 . 8.962 0.212 -26.182 1.00 68.28 7 A 1 ATOM 56 O O . ARG A 0 7 . 8.691 0.731 -23.077 1.00 68.28 7 A 1 ATOM 57 C CG . ARG A 0 7 . 7.983 0.107 -27.368 1.00 68.28 7 A 1 ATOM 58 C CD . ARG A 0 7 . 8.163 -1.243 -28.091 1.00 68.28 7 A 1 ATOM 59 N NE . ARG A 0 7 . 7.043 -1.566 -29.003 1.00 68.28 7 A 1 ATOM 60 N NH1 . ARG A 0 7 . 7.756 -3.661 -29.657 1.00 68.28 7 A 1 ATOM 61 N NH2 . ARG A 0 7 . 5.816 -2.887 -30.411 1.00 68.28 7 A 1 ATOM 62 C CZ . ARG A 0 7 . 6.879 -2.696 -29.681 1.00 68.28 7 A 1 ATOM 63 N N . ARG A 0 8 . 10.628 1.705 -23.649 1.00 66.56 8 A 1 ATOM 64 C CA . ARG A 0 8 . 11.248 1.684 -22.311 1.00 66.56 8 A 1 ATOM 65 C C . ARG A 0 8 . 10.644 2.704 -21.333 1.00 66.56 8 A 1 ATOM 66 C CB . ARG A 0 8 . 12.771 1.877 -22.427 1.00 66.56 8 A 1 ATOM 67 O O . ARG A 0 8 . 10.422 2.339 -20.182 1.00 66.56 8 A 1 ATOM 68 C CG . ARG A 0 8 . 13.488 0.668 -23.058 1.00 66.56 8 A 1 ATOM 69 C CD . ARG A 0 8 . 15.014 0.828 -22.975 1.00 66.56 8 A 1 ATOM 70 N NE . ARG A 0 8 . 15.739 -0.309 -23.584 1.00 66.56 8 A 1 ATOM 71 N NH1 . ARG A 0 8 . 17.845 0.213 -22.804 1.00 66.56 8 A 1 ATOM 72 N NH2 . ARG A 0 8 . 17.569 -1.602 -24.053 1.00 66.56 8 A 1 ATOM 73 C CZ . ARG A 0 8 . 17.039 -0.560 -23.476 1.00 66.56 8 A 1 ATOM 74 N N . ALA A 0 9 . 10.323 3.924 -21.769 1.00 67.92 9 A 1 ATOM 75 C CA . ALA A 0 9 . 9.709 4.944 -20.912 1.00 67.92 9 A 1 ATOM 76 C C . ALA A 0 9 . 8.319 4.509 -20.426 1.00 67.92 9 A 1 ATOM 77 C CB . ALA A 0 9 . 9.649 6.274 -21.673 1.00 67.92 9 A 1 ATOM 78 O O . ALA A 0 9 . 8.018 4.606 -19.238 1.00 67.92 9 A 1 ATOM 79 N N . ARG A 0 10 . 7.515 3.904 -21.314 1.00 72.39 10 A 1 ATOM 80 C CA . ARG A 0 10 . 6.199 3.350 -20.956 1.00 72.39 10 A 1 ATOM 81 C C . ARG A 0 10 . 6.292 2.262 -19.884 1.00 72.39 10 A 1 ATOM 82 C CB . ARG A 0 10 . 5.485 2.850 -22.222 1.00 72.39 10 A 1 ATOM 83 O O . ARG A 0 10 . 5.435 2.222 -19.013 1.00 72.39 10 A 1 ATOM 84 C CG . ARG A 0 10 . 4.103 2.244 -21.916 1.00 72.39 10 A 1 ATOM 85 C CD . ARG A 0 10 . 3.389 1.807 -23.201 1.00 72.39 10 A 1 ATOM 86 N NE . ARG A 0 10 . 2.454 0.696 -22.937 1.00 72.39 10 A 1 ATOM 87 N NH1 . ARG A 0 10 . 2.103 0.056 -25.114 1.00 72.39 10 A 1 ATOM 88 N NH2 . ARG A 0 10 . 1.220 -1.149 -23.458 1.00 72.39 10 A 1 ATOM 89 C CZ . ARG A 0 10 . 1.933 -0.125 -23.833 1.00 72.39 10 A 1 ATOM 90 N N . ARG A 0 11 . 7.319 1.401 -19.914 1.00 78.34 11 A 1 ATOM 91 C CA . ARG A 0 11 . 7.510 0.365 -18.882 1.00 78.34 11 A 1 ATOM 92 C C . ARG A 0 11 . 7.828 0.959 -17.512 1.00 78.34 11 A 1 ATOM 93 C CB . ARG A 0 11 . 8.582 -0.654 -19.295 1.00 78.34 11 A 1 ATOM 94 O O . ARG A 0 11 . 7.266 0.497 -16.529 1.00 78.34 11 A 1 ATOM 95 C CG . ARG A 0 11 . 8.021 -1.685 -20.284 1.00 78.34 11 A 1 ATOM 96 C CD . ARG A 0 11 . 8.999 -2.844 -20.513 1.00 78.34 11 A 1 ATOM 97 N NE . ARG A 0 11 . 10.110 -2.483 -21.416 1.00 78.34 11 A 1 ATOM 98 N NH1 . ARG A 0 11 . 11.444 -4.301 -20.943 1.00 78.34 11 A 1 ATOM 99 N NH2 . ARG A 0 11 . 12.040 -2.902 -22.562 1.00 78.34 11 A 1 ATOM 100 C CZ . ARG A 0 11 . 11.189 -3.223 -21.628 1.00 78.34 11 A 1 ATOM 101 N N . ARG A 0 12 . 8.667 2.000 -17.449 1.00 80.12 12 A 1 ATOM 102 C CA . ARG A 0 12 . 8.960 2.705 -16.187 1.00 80.12 12 A 1 ATOM 103 C C . ARG A 0 12 . 7.712 3.374 -15.616 1.00 80.12 12 A 1 ATOM 104 C CB . ARG A 0 12 . 10.081 3.735 -16.375 1.00 80.12 12 A 1 ATOM 105 O O . ARG A 0 12 . 7.410 3.186 -14.446 1.00 80.12 12 A 1 ATOM 106 C CG . ARG A 0 12 . 11.448 3.079 -16.614 1.00 80.12 12 A 1 ATOM 107 C CD . ARG A 0 12 . 12.529 4.164 -16.671 1.00 80.12 12 A 1 ATOM 108 N NE . ARG A 0 12 . 13.876 3.595 -16.869 1.00 80.12 12 A 1 ATOM 109 N NH1 . ARG A 0 12 . 14.938 5.556 -17.437 1.00 80.12 12 A 1 ATOM 110 N NH2 . ARG A 0 12 . 16.114 3.669 -17.305 1.00 80.12 12 A 1 ATOM 111 C CZ . ARG A 0 12 . 14.963 4.273 -17.204 1.00 80.12 12 A 1 ATOM 112 N N . ILE A 0 13 . 6.954 4.079 -16.458 1.00 81.35 13 A 1 ATOM 113 C CA . ILE A 0 13 . 5.690 4.703 -16.045 1.00 81.35 13 A 1 ATOM 114 C C . ILE A 0 13 . 4.690 3.632 -15.602 1.00 81.35 13 A 1 ATOM 115 C CB . ILE A 0 13 . 5.128 5.601 -17.168 1.00 81.35 13 A 1 ATOM 116 O O . ILE A 0 13 . 4.094 3.771 -14.544 1.00 81.35 13 A 1 ATOM 117 C CG1 . ILE A 0 13 . 6.066 6.807 -17.405 1.00 81.35 13 A 1 ATOM 118 C CG2 . ILE A 0 13 . 3.715 6.104 -16.816 1.00 81.35 13 A 1 ATOM 119 C CD1 . ILE A 0 13 . 5.806 7.531 -18.732 1.00 81.35 13 A 1 ATOM 120 N N . ALA A 0 14 . 4.547 2.530 -16.344 1.00 83.36 14 A 1 ATOM 121 C CA . ALA A 0 14 . 3.671 1.427 -15.953 1.00 83.36 14 A 1 ATOM 122 C C . ALA A 0 14 . 4.073 0.827 -14.594 1.00 83.36 14 A 1 ATOM 123 C CB . ALA A 0 14 . 3.668 0.370 -17.063 1.00 83.36 14 A 1 ATOM 124 O O . ALA A 0 14 . 3.206 0.603 -13.755 1.00 83.36 14 A 1 ATOM 125 N N . GLY A 0 15 . 5.374 0.646 -14.346 1.00 85.82 15 A 1 ATOM 126 C CA . GLY A 0 15 . 5.898 0.156 -13.069 1.00 85.82 15 A 1 ATOM 127 C C . GLY A 0 15 . 5.644 1.086 -11.879 1.00 85.82 15 A 1 ATOM 128 O O . GLY A 0 15 . 5.620 0.607 -10.756 1.00 85.82 15 A 1 ATOM 129 N N . LEU A 0 16 . 5.408 2.382 -12.104 1.00 84.98 16 A 1 ATOM 130 C CA . LEU A 0 16 . 5.030 3.338 -11.053 1.00 84.98 16 A 1 ATOM 131 C C . LEU A 0 16 . 3.507 3.490 -10.929 1.00 84.98 16 A 1 ATOM 132 C CB . LEU A 0 16 . 5.696 4.694 -11.349 1.00 84.98 16 A 1 ATOM 133 O O . LEU A 0 16 . 2.960 3.526 -9.828 1.00 84.98 16 A 1 ATOM 134 C CG . LEU A 0 16 . 7.230 4.693 -11.215 1.00 84.98 16 A 1 ATOM 135 C CD1 . LEU A 0 16 . 7.784 6.021 -11.732 1.00 84.98 16 A 1 ATOM 136 C CD2 . LEU A 0 16 . 7.684 4.516 -9.765 1.00 84.98 16 A 1 ATOM 137 N N . VAL A 0 17 . 2.803 3.548 -12.060 1.00 87.39 17 A 1 ATOM 138 C CA . VAL A 0 17 . 1.355 3.783 -12.108 1.00 87.39 17 A 1 ATOM 139 C C . VAL A 0 17 . 0.571 2.569 -11.617 1.00 87.39 17 A 1 ATOM 140 C CB . VAL A 0 17 . 0.919 4.201 -13.527 1.00 87.39 17 A 1 ATOM 141 O O . VAL A 0 17 . -0.429 2.753 -10.924 1.00 87.39 17 A 1 ATOM 142 C CG1 . VAL A 0 17 . -0.607 4.295 -13.679 1.00 87.39 17 A 1 ATOM 143 C CG2 . VAL A 0 17 . 1.481 5.585 -13.884 1.00 87.39 17 A 1 ATOM 144 N N . ILE A 0 18 . 1.005 1.342 -11.936 1.00 85.92 18 A 1 ATOM 145 C CA . ILE A 0 18 . 0.302 0.120 -11.516 1.00 85.92 18 A 1 ATOM 146 C C . ILE A 0 18 . 0.304 -0.013 -9.980 1.00 85.92 18 A 1 ATOM 147 C CB . ILE A 0 18 . 0.819 -1.135 -12.267 1.00 85.92 18 A 1 ATOM 148 O O . ILE A 0 18 . -0.792 -0.090 -9.414 1.00 85.92 18 A 1 ATOM 149 C CG1 . ILE A 0 18 . 0.469 -1.060 -13.771 1.00 85.92 18 A 1 ATOM 150 C CG2 . ILE A 0 18 . 0.238 -2.421 -11.648 1.00 85.92 18 A 1 ATOM 151 C CD1 . ILE A 0 18 . 1.238 -2.081 -14.623 1.00 85.92 18 A 1 ATOM 152 N N . PRO A 0 19 . 1.454 0.055 -9.271 1.00 85.82 19 A 1 ATOM 153 C CA . PRO A 0 19 . 1.460 0.022 -7.807 1.00 85.82 19 A 1 ATOM 154 C C . PRO A 0 19 . 0.694 1.187 -7.179 1.00 85.82 19 A 1 ATOM 155 C CB . PRO A 0 19 . 2.931 0.048 -7.384 1.00 85.82 19 A 1 ATOM 156 O O . PRO A 0 19 . -0.031 0.990 -6.207 1.00 85.82 19 A 1 ATOM 157 C CG . PRO A 0 19 . 3.647 -0.541 -8.588 1.00 85.82 19 A 1 ATOM 158 C CD . PRO A 0 19 . 2.830 0.013 -9.751 1.00 85.82 19 A 1 ATOM 159 N N . TRP A 0 20 . 0.786 2.392 -7.753 1.00 88.20 20 A 1 ATOM 160 C CA . TRP A 0 20 . 0.058 3.562 -7.255 1.00 88.20 20 A 1 ATOM 161 C C . TRP A 0 20 . -1.463 3.409 -7.377 1.00 88.20 20 A 1 ATOM 162 C CB . TRP A 0 20 . 0.528 4.796 -8.028 1.00 88.20 20 A 1 ATOM 163 O O . TRP A 0 20 . -2.221 3.798 -6.488 1.00 88.20 20 A 1 ATOM 164 C CG . TRP A 0 20 . -0.090 6.072 -7.561 1.00 88.20 20 A 1 ATOM 165 C CD1 . TRP A 0 20 . -1.095 6.740 -8.167 1.00 88.20 20 A 1 ATOM 166 C CD2 . TRP A 0 20 . 0.297 6.882 -6.413 1.00 88.20 20 A 1 ATOM 167 C CE2 . TRP A 0 20 . -0.563 8.017 -6.353 1.00 88.20 20 A 1 ATOM 168 C CE3 . TRP A 0 20 . 1.318 6.791 -5.445 1.00 88.20 20 A 1 ATOM 169 N NE1 . TRP A 0 20 . -1.379 7.890 -7.454 1.00 88.20 20 A 1 ATOM 170 C CH2 . TRP A 0 20 . 0.588 8.884 -4.415 1.00 88.20 20 A 1 ATOM 171 C CZ2 . TRP A 0 20 . -0.438 9.005 -5.367 1.00 88.20 20 A 1 ATOM 172 C CZ3 . TRP A 0 20 . 1.465 7.786 -4.461 1.00 88.20 20 A 1 ATOM 173 N N . MET A 0 21 . -1.941 2.839 -8.482 1.00 89.29 21 A 1 ATOM 174 C CA . MET A 0 21 . -3.362 2.558 -8.680 1.00 89.29 21 A 1 ATOM 175 C C . MET A 0 21 . -3.862 1.497 -7.699 1.00 89.29 21 A 1 ATOM 176 C CB . MET A 0 21 . -3.582 2.125 -10.130 1.00 89.29 21 A 1 ATOM 177 O O . MET A 0 21 . -4.929 1.680 -7.110 1.00 89.29 21 A 1 ATOM 178 C CG . MET A 0 21 . -5.068 2.078 -10.496 1.00 89.29 21 A 1 ATOM 179 S SD . MET A 0 21 . -5.418 1.375 -12.130 1.00 89.29 21 A 1 ATOM 180 C CE . MET A 0 21 . -4.231 2.254 -13.183 1.00 89.29 21 A 1 ATOM 181 N N . LEU A 0 22 . -3.080 0.433 -7.492 1.00 85.89 22 A 1 ATOM 182 C CA . LEU A 0 22 . -3.411 -0.632 -6.551 1.00 85.89 22 A 1 ATOM 183 C C . LEU A 0 22 . -3.446 -0.099 -5.114 1.00 85.89 22 A 1 ATOM 184 C CB . LEU A 0 22 . -2.400 -1.782 -6.715 1.00 85.89 22 A 1 ATOM 185 O O . LEU A 0 22 . -4.450 -0.270 -4.432 1.00 85.89 22 A 1 ATOM 186 C CG . LEU A 0 22 . -2.911 -3.107 -6.120 1.00 85.89 22 A 1 ATOM 187 C CD1 . LEU A 0 22 . -3.940 -3.763 -7.047 1.00 85.89 22 A 1 ATOM 188 C CD2 . LEU A 0 22 . -1.748 -4.079 -5.938 1.00 85.89 22 A 1 ATOM 189 N N . SER A 0 23 . -2.412 0.640 -4.705 1.00 87.59 23 A 1 ATOM 190 C CA . SER A 0 23 . -2.333 1.265 -3.383 1.00 87.59 23 A 1 ATOM 191 C C . SER A 0 23 . -3.515 2.202 -3.133 1.00 87.59 23 A 1 ATOM 192 C CB . SER A 0 23 . -0.999 1.999 -3.232 1.00 87.59 23 A 1 ATOM 193 O O . SER A 0 23 . -4.200 2.065 -2.126 1.00 87.59 23 A 1 ATOM 194 O OG . SER A 0 23 . -0.919 2.560 -1.941 1.00 87.59 23 A 1 ATOM 195 N N . ARG A 0 24 . -3.871 3.075 -4.088 1.00 86.53 24 A 1 ATOM 196 C CA . ARG A 0 24 . -5.055 3.944 -3.951 1.00 86.53 24 A 1 ATOM 197 C C . ARG A 0 24 . -6.367 3.170 -3.838 1.00 86.53 24 A 1 ATOM 198 C CB . ARG A 0 24 . -5.148 4.924 -5.122 1.00 86.53 24 A 1 ATOM 199 O O . ARG A 0 24 . -7.247 3.603 -3.100 1.00 86.53 24 A 1 ATOM 200 C CG . ARG A 0 24 . -4.141 6.075 -4.992 1.00 86.53 24 A 1 ATOM 201 C CD . ARG A 0 24 . -4.386 7.126 -6.079 1.00 86.53 24 A 1 ATOM 202 N NE . ARG A 0 24 . -4.191 6.568 -7.431 1.00 86.53 24 A 1 ATOM 203 N NH1 . ARG A 0 24 . -5.011 8.356 -8.613 1.00 86.53 24 A 1 ATOM 204 N NH2 . ARG A 0 24 . -4.233 6.576 -9.711 1.00 86.53 24 A 1 ATOM 205 C CZ . ARG A 0 24 . -4.483 7.163 -8.573 1.00 86.53 24 A 1 ATOM 206 N N . LYS A 0 25 . -6.530 2.063 -4.570 1.00 86.17 25 A 1 ATOM 207 C CA . LYS A 0 25 . -7.736 1.226 -4.481 1.00 86.17 25 A 1 ATOM 208 C C . LYS A 0 25 . -7.820 0.535 -3.119 1.00 86.17 25 A 1 ATOM 209 C CB . LYS A 0 25 . -7.766 0.225 -5.647 1.00 86.17 25 A 1 ATOM 210 O O . LYS A 0 25 . -8.884 0.559 -2.509 1.00 86.17 25 A 1 ATOM 211 C CG . LYS A 0 25 . -9.102 -0.534 -5.703 1.00 86.17 25 A 1 ATOM 212 C CD . LYS A 0 25 . -9.160 -1.499 -6.895 1.00 86.17 25 A 1 ATOM 213 C CE . LYS A 0 25 . -10.504 -2.242 -6.887 1.00 86.17 25 A 1 ATOM 214 N NZ . LYS A 0 25 . -10.595 -3.263 -7.963 1.00 86.17 25 A 1 ATOM 215 N N . THR A 0 26 . -6.706 -0.005 -2.629 1.00 84.46 26 A 1 ATOM 216 C CA . THR A 0 26 . -6.618 -0.630 -1.303 1.00 84.46 26 A 1 ATOM 217 C C . THR A 0 26 . -6.857 0.390 -0.196 1.00 84.46 26 A 1 ATOM 218 C CB . THR A 0 26 . -5.258 -1.313 -1.112 1.00 84.46 26 A 1 ATOM 219 O O . THR A 0 26 . -7.700 0.158 0.659 1.00 84.46 26 A 1 ATOM 220 C CG2 . THR A 0 26 . -5.179 -2.105 0.191 1.00 84.46 26 A 1 ATOM 221 O OG1 . THR A 0 26 . -5.053 -2.236 -2.155 1.00 84.46 26 A 1 ATOM 222 N N . LEU A 0 27 . -6.209 1.556 -0.251 1.00 84.08 27 A 1 ATOM 223 C CA . LEU A 0 27 . -6.424 2.642 0.707 1.00 84.08 27 A 1 ATOM 224 C C . LEU A 0 27 . -7.879 3.111 0.713 1.00 84.08 27 A 1 ATOM 225 C CB . LEU A 0 27 . -5.488 3.821 0.387 1.00 84.08 27 A 1 ATOM 226 O O . LEU A 0 27 . -8.445 3.293 1.782 1.00 84.08 27 A 1 ATOM 227 C CG . LEU A 0 27 . -4.006 3.579 0.726 1.00 84.08 27 A 1 ATOM 228 C CD1 . LEU A 0 27 . -3.180 4.753 0.199 1.00 84.08 27 A 1 ATOM 229 C CD2 . LEU A 0 27 . -3.771 3.454 2.231 1.00 84.08 27 A 1 ATOM 230 N N . ARG A 0 28 . -8.523 3.248 -0.454 1.00 83.06 28 A 1 ATOM 231 C CA . ARG A 0 28 . -9.959 3.558 -0.520 1.00 83.06 28 A 1 ATOM 232 C C . ARG A 0 28 . -10.818 2.458 0.081 1.00 83.06 28 A 1 ATOM 233 C CB . ARG A 0 28 . -10.404 3.826 -1.958 1.00 83.06 28 A 1 ATOM 234 O O . ARG A 0 28 . -11.759 2.787 0.774 1.00 83.06 28 A 1 ATOM 235 C CG . ARG A 0 28 . -10.019 5.240 -2.396 1.00 83.06 28 A 1 ATOM 236 C CD . ARG A 0 28 . -10.441 5.435 -3.851 1.00 83.06 28 A 1 ATOM 237 N NE . ARG A 0 28 . -10.113 6.789 -4.327 1.00 83.06 28 A 1 ATOM 238 N NH1 . ARG A 0 28 . -10.519 6.411 -6.552 1.00 83.06 28 A 1 ATOM 239 N NH2 . ARG A 0 28 . -9.925 8.453 -5.865 1.00 83.06 28 A 1 ATOM 240 C CZ . ARG A 0 28 . -10.182 7.209 -5.574 1.00 83.06 28 A 1 ATOM 241 N N . CYS A 0 29 . -10.492 1.189 -0.141 1.00 81.11 29 A 1 ATOM 242 C CA . CYS A 0 29 . -11.222 0.077 0.465 1.00 81.11 29 A 1 ATOM 243 C C . CYS A 0 29 . -11.000 -0.025 1.984 1.00 81.11 29 A 1 ATOM 244 C CB . CYS A 0 29 . -10.785 -1.212 -0.237 1.00 81.11 29 A 1 ATOM 245 O O . CYS A 0 29 . -11.838 -0.587 2.675 1.00 81.11 29 A 1 ATOM 246 S SG . CYS A 0 29 . -11.948 -2.544 0.162 1.00 81.11 29 A 1 ATOM 247 N N . LEU A 0 30 . -9.882 0.487 2.504 1.00 81.16 30 A 1 ATOM 248 C CA . LEU A 0 30 . -9.600 0.527 3.941 1.00 81.16 30 A 1 ATOM 249 C C . LEU A 0 30 . -10.236 1.744 4.623 1.00 81.16 30 A 1 ATOM 250 C CB . LEU A 0 30 . -8.078 0.512 4.164 1.00 81.16 30 A 1 ATOM 251 O O . LEU A 0 30 . -10.772 1.608 5.715 1.00 81.16 30 A 1 ATOM 252 C CG . LEU A 0 30 . -7.392 -0.828 3.840 1.00 81.16 30 A 1 ATOM 253 C CD1 . LEU A 0 30 . -5.875 -0.645 3.918 1.00 81.16 30 A 1 ATOM 254 C CD2 . LEU A 0 30 . -7.794 -1.940 4.810 1.00 81.16 30 A 1 ATOM 255 N N . LEU A 0 31 . -10.194 2.921 3.987 1.00 80.40 31 A 1 ATOM 256 C CA . LEU A 0 31 . -10.827 4.142 4.507 1.00 80.40 31 A 1 ATOM 257 C C . LEU A 0 31 . -12.345 4.140 4.314 1.00 80.40 31 A 1 ATOM 258 C CB . LEU A 0 31 . -10.251 5.394 3.815 1.00 80.40 31 A 1 ATOM 259 O O . LEU A 0 31 . -13.084 4.673 5.133 1.00 80.40 31 A 1 ATOM 260 C CG . LEU A 0 31 . -9.070 6.033 4.561 1.00 80.40 31 A 1 ATOM 261 C CD1 . LEU A 0 31 . -7.750 5.302 4.311 1.00 80.40 31 A 1 ATOM 262 C CD2 . LEU A 0 31 . -8.907 7.482 4.099 1.00 80.40 31 A 1 ATOM 263 N N . ALA A 0 32 . -12.794 3.584 3.200 1.00 75.30 32 A 1 ATOM 264 C CA . ALA A 0 32 . -14.184 3.463 2.810 1.00 75.30 32 A 1 ATOM 265 C C . ALA A 0 32 . -14.391 2.042 2.278 1.00 75.30 32 A 1 ATOM 266 C CB . ALA A 0 32 . -14.513 4.566 1.794 1.00 75.30 32 A 1 ATOM 267 O O . ALA A 0 32 . -14.597 1.857 1.069 1.00 75.30 32 A 1 ATOM 268 N N . PRO A 0 33 . -14.309 1.013 3.152 1.00 71.36 33 A 1 ATOM 269 C CA . PRO A 0 33 . -14.843 -0.291 2.787 1.00 71.36 33 A 1 ATOM 270 C C . PRO A 0 33 . -16.266 -0.083 2.265 1.00 71.36 33 A 1 ATOM 271 C CB . PRO A 0 33 . -14.788 -1.153 4.055 1.00 71.36 33 A 1 ATOM 272 O O . PRO A 0 33 . -16.902 0.911 2.626 1.00 71.36 33 A 1 ATOM 273 C CG . PRO A 0 33 . -14.789 -0.132 5.191 1.00 71.36 33 A 1 ATOM 274 C CD . PRO A 0 33 . -14.059 1.066 4.589 1.00 71.36 33 A 1 ATOM 275 N N . PRO A 0 34 . -16.780 -0.951 1.384 1.00 69.73 34 A 1 ATOM 276 C CA . PRO A 0 34 . -18.178 -0.878 0.997 1.00 69.73 34 A 1 ATOM 277 C C . PRO A 0 34 . -19.021 -1.064 2.264 1.00 69.73 34 A 1 ATOM 278 C CB . PRO A 0 34 . -18.362 -1.982 -0.051 1.00 69.73 34 A 1 ATOM 279 O O . PRO A 0 34 . -19.292 -2.190 2.675 1.00 69.73 34 A 1 ATOM 280 C CG . PRO A 0 34 . -17.263 -2.994 0.284 1.00 69.73 34 A 1 ATOM 281 C CD . PRO A 0 34 . -16.133 -2.131 0.840 1.00 69.73 34 A 1 ATOM 282 N N . LEU A 0 35 . -19.377 0.039 2.934 1.00 70.73 35 A 1 ATOM 283 C CA . LEU A 0 35 . -20.351 0.001 4.004 1.00 70.73 35 A 1 ATOM 284 C C . LEU A 0 35 . -21.648 -0.484 3.347 1.00 70.73 35 A 1 ATOM 285 C CB . LEU A 0 35 . -20.532 1.358 4.719 1.00 70.73 35 A 1 ATOM 286 O O . LEU A 0 35 . -21.986 -0.004 2.256 1.00 70.73 35 A 1 ATOM 287 C CG . LEU A 0 35 . -19.567 1.596 5.903 1.00 70.73 35 A 1 ATOM 288 C CD1 . LEU A 0 35 . -18.209 2.127 5.461 1.00 70.73 35 A 1 ATOM 289 C CD2 . LEU A 0 35 . -20.113 2.603 6.910 1.00 70.73 35 A 1 ATOM 290 N N . PRO A 0 36 . -22.355 -1.451 3.953 1.00 67.38 36 A 1 ATOM 291 C CA . PRO A 0 36 . -23.665 -1.831 3.458 1.00 67.38 36 A 1 ATOM 292 C C . PRO A 0 36 . -24.525 -0.565 3.418 1.00 67.38 36 A 1 ATOM 293 C CB . PRO A 0 36 . -24.182 -2.903 4.424 1.00 67.38 36 A 1 ATOM 294 O O . PRO A 0 36 . -24.640 0.143 4.415 1.00 67.38 36 A 1 ATOM 295 C CG . PRO A 0 36 . -23.409 -2.640 5.717 1.00 67.38 36 A 1 ATOM 296 C CD . PRO A 0 36 . -22.071 -2.093 5.228 1.00 67.38 36 A 1 ATOM 297 N N . ASN A 0 37 . -25.057 -0.246 2.239 1.00 68.87 37 A 1 ATOM 298 C CA . ASN A 0 37 . -26.088 0.769 2.079 1.00 68.87 37 A 1 ATOM 299 C C . ASN A 0 37 . -27.447 0.055 2.169 1.00 68.87 37 A 1 ATOM 300 C CB . ASN A 0 37 . -25.914 1.514 0.743 1.00 68.87 37 A 1 ATOM 301 O O . ASN A 0 37 . -27.654 -0.898 1.415 1.00 68.87 37 A 1 ATOM 302 C CG . ASN A 0 37 . -24.994 2.716 0.841 1.00 68.87 37 A 1 ATOM 303 N ND2 . ASN A 0 37 . -24.240 3.001 -0.196 1.00 68.87 37 A 1 ATOM 304 O OD1 . ASN A 0 37 . -24.975 3.452 1.811 1.00 68.87 37 A 1 ATOM 305 N N . PRO A 0 38 . -28.380 0.495 3.028 1.00 71.77 38 A 1 ATOM 306 C CA . PRO A 0 38 . -28.285 1.653 3.912 1.00 71.77 38 A 1 ATOM 307 C C . PRO A 0 38 . -27.350 1.399 5.100 1.00 71.77 38 A 1 ATOM 308 C CB . PRO A 0 38 . -29.720 1.915 4.373 1.00 71.77 38 A 1 ATOM 309 O O . PRO A 0 38 . -27.322 0.303 5.657 1.00 71.77 38 A 1 ATOM 310 C CG . PRO A 0 38 . -30.343 0.519 4.372 1.00 71.77 38 A 1 ATOM 311 C CD . PRO A 0 38 . -29.655 -0.178 3.201 1.00 71.77 38 A 1 ATOM 312 N N . LEU A 0 39 . -26.611 2.442 5.487 1.00 72.88 39 A 1 ATOM 313 C CA . LEU A 0 39 . -25.787 2.445 6.693 1.00 72.88 39 A 1 ATOM 314 C C . LEU A 0 39 . -26.638 1.971 7.882 1.00 72.88 39 A 1 ATOM 315 C CB . LEU A 0 39 . -25.272 3.879 6.944 1.00 72.88 39 A 1 ATOM 316 O O . LEU A 0 39 . -27.738 2.508 8.060 1.00 72.88 39 A 1 ATOM 317 C CG . LEU A 0 39 . -24.287 4.393 5.881 1.00 72.88 39 A 1 ATOM 318 C CD1 . LEU A 0 39 . -24.058 5.898 6.015 1.00 72.88 39 A 1 ATOM 319 C CD2 . LEU A 0 39 . -22.940 3.718 6.048 1.00 72.88 39 A 1 ATOM 320 N N . PRO A 0 40 . -26.181 0.996 8.694 1.00 72.96 40 A 1 ATOM 321 C CA . PRO A 0 40 . -26.912 0.639 9.899 1.00 72.96 40 A 1 ATOM 322 C C . PRO A 0 40 . -27.061 1.899 10.764 1.00 72.96 40 A 1 ATOM 323 C CB . PRO A 0 40 . -26.100 -0.464 10.585 1.00 72.96 40 A 1 ATOM 324 O O . PRO A 0 40 . -26.118 2.697 10.830 1.00 72.96 40 A 1 ATOM 325 C CG . PRO A 0 40 . -24.680 -0.232 10.068 1.00 72.96 40 A 1 ATOM 326 C CD . PRO A 0 40 . -24.896 0.316 8.656 1.00 72.96 40 A 1 ATOM 327 N N . PRO A 0 41 . -28.227 2.119 11.398 1.00 74.07 41 A 1 ATOM 328 C CA . PRO A 0 41 . -28.417 3.266 12.272 1.00 74.07 41 A 1 ATOM 329 C C . PRO A 0 41 . -27.320 3.241 13.335 1.00 74.07 41 A 1 ATOM 330 C CB . PRO A 0 41 . -29.828 3.125 12.854 1.00 74.07 41 A 1 ATOM 331 O O . PRO A 0 41 . -27.204 2.284 14.099 1.00 74.07 41 A 1 ATOM 332 C CG . PRO A 0 41 . -30.135 1.633 12.718 1.00 74.07 41 A 1 ATOM 333 C CD . PRO A 0 41 . -29.372 1.227 11.460 1.00 74.07 41 A 1 ATOM 334 N N . LEU A 0 42 . -26.477 4.276 13.339 1.00 76.58 42 A 1 ATOM 335 C CA . LEU A 0 42 . -25.444 4.425 14.353 1.00 76.58 42 A 1 ATOM 336 C C . LEU A 0 42 . -26.134 4.458 15.725 1.00 76.58 42 A 1 ATOM 337 C CB . LEU A 0 42 . -24.625 5.705 14.095 1.00 76.58 42 A 1 ATOM 338 O O . LEU A 0 42 . -27.160 5.143 15.850 1.00 76.58 42 A 1 ATOM 339 C CG . LEU A 0 42 . -23.794 5.680 12.798 1.00 76.58 42 A 1 ATOM 340 C CD1 . LEU A 0 42 . -23.202 7.065 12.532 1.00 76.58 42 A 1 ATOM 341 C CD2 . LEU A 0 42 . -22.642 4.676 12.871 1.00 76.58 42 A 1 ATOM 342 N N . PRO A 0 43 . -25.618 3.741 16.744 1.00 72.65 43 A 1 ATOM 343 C CA . PRO A 0 43 . -26.144 3.875 18.092 1.00 72.65 43 A 1 ATOM 344 C C . PRO A 0 43 . -26.070 5.354 18.459 1.00 72.65 43 A 1 ATOM 345 C CB . PRO A 0 43 . -25.274 2.985 18.986 1.00 72.65 43 A 1 ATOM 346 O O . PRO A 0 43 . -25.012 5.982 18.347 1.00 72.65 43 A 1 ATOM 347 C CG . PRO A 0 43 . -23.961 2.868 18.212 1.00 72.65 43 A 1 ATOM 348 C CD . PRO A 0 43 . -24.399 2.946 16.749 1.00 72.65 43 A 1 ATOM 349 N N . ARG A 0 44 . -27.214 5.941 18.824 1.00 74.00 44 A 1 ATOM 350 C CA . ARG A 0 44 . -27.208 7.311 19.327 1.00 74.00 44 A 1 ATOM 351 C C . ARG A 0 44 . -26.339 7.309 20.587 1.00 74.00 44 A 1 ATOM 352 C CB . ARG A 0 44 . -28.612 7.827 19.649 1.00 74.00 44 A 1 ATOM 353 O O . ARG A 0 44 . -26.487 6.393 21.390 1.00 74.00 44 A 1 ATOM 354 C CG . ARG A 0 44 . -29.552 7.850 18.436 1.00 74.00 44 A 1 ATOM 355 C CD . ARG A 0 44 . -30.758 8.728 18.790 1.00 74.00 44 A 1 ATOM 356 N NE . ARG A 0 44 . -31.944 8.426 17.970 1.00 74.00 44 A 1 ATOM 357 N NH1 . ARG A 0 44 . -33.424 9.676 19.204 1.00 74.00 44 A 1 ATOM 358 N NH2 . ARG A 0 44 . -34.184 8.397 17.545 1.00 74.00 44 A 1 ATOM 359 C CZ . ARG A 0 44 . -33.172 8.834 18.239 1.00 74.00 44 A 1 ATOM 360 N N . PRO A 0 45 . -25.438 8.282 20.774 1.00 72.68 45 A 1 ATOM 361 C CA . PRO A 0 45 . -24.734 8.394 22.039 1.00 72.68 45 A 1 ATOM 362 C C . PRO A 0 45 . -25.771 8.583 23.154 1.00 72.68 45 A 1 ATOM 363 C CB . PRO A 0 45 . -23.795 9.594 21.871 1.00 72.68 45 A 1 ATOM 364 O O . PRO A 0 45 . -26.477 9.591 23.162 1.00 72.68 45 A 1 ATOM 365 C CG . PRO A 0 45 . -24.429 10.426 20.753 1.00 72.68 45 A 1 ATOM 366 C CD . PRO A 0 45 . -25.128 9.386 19.883 1.00 72.68 45 A 1 ATOM 367 N N . ASP A 0 46 . -25.863 7.630 24.084 1.00 71.72 46 A 1 ATOM 368 C CA . ASP A 0 46 . -26.722 7.667 25.283 1.00 71.72 46 A 1 ATOM 369 C C . ASP A 0 46 . -26.233 8.706 26.320 1.00 71.72 46 A 1 ATOM 370 C CB . ASP A 0 46 . -26.863 6.249 25.881 1.00 71.72 46 A 1 ATOM 371 O O . ASP A 0 46 . -26.213 8.477 27.526 1.00 71.72 46 A 1 ATOM 372 C CG . ASP A 0 46 . -27.915 5.405 25.160 1.00 71.72 46 A 1 ATOM 373 O OD1 . ASP A 0 46 . -29.094 5.824 25.176 1.00 71.72 46 A 1 ATOM 374 O OD2 . ASP A 0 46 . -27.534 4.345 24.617 1.00 71.72 46 A 1 ATOM 375 N N . MET A 0 47 . -25.821 9.890 25.862 1.00 68.66 47 A 1 ATOM 376 C CA . MET A 0 47 . -25.386 11.006 26.705 1.00 68.66 47 A 1 ATOM 377 C C . MET A 0 47 . -26.554 11.943 27.050 1.00 68.66 47 A 1 ATOM 378 C CB . MET A 0 47 . -24.196 11.740 26.066 1.00 68.66 47 A 1 ATOM 379 O O . MET A 0 47 . -26.403 13.162 27.010 1.00 68.66 47 A 1 ATOM 380 C CG . MET A 0 47 . -22.940 10.867 25.984 1.00 68.66 47 A 1 ATOM 381 S SD . MET A 0 47 . -21.444 11.782 25.509 1.00 68.66 47 A 1 ATOM 382 C CE . MET A 0 47 . -21.725 12.028 23.737 1.00 68.66 47 A 1 ATOM 383 N N . ILE A 0 48 . -27.731 11.396 27.377 1.00 65.99 48 A 1 ATOM 384 C CA . ILE A 0 48 . -28.861 12.177 27.905 1.00 65.99 48 A 1 ATOM 385 C C . ILE A 0 48 . -29.354 11.539 29.209 1.00 65.99 48 A 1 ATOM 386 C CB . ILE A 0 48 . -29.969 12.439 26.853 1.00 65.99 48 A 1 ATOM 387 O O . ILE A 0 48 . -30.234 10.688 29.229 1.00 65.99 48 A 1 ATOM 388 C CG1 . ILE A 0 48 . -29.360 13.099 25.589 1.00 65.99 48 A 1 ATOM 389 C CG2 . ILE A 0 48 . -31.049 13.356 27.466 1.00 65.99 48 A 1 ATOM 390 C CD1 . ILE A 0 48 . -30.361 13.651 24.565 1.00 65.99 48 A 1 ATOM 391 N N . HIS A 0 49 . -28.711 11.959 30.299 1.00 62.76 49 A 1 ATOM 392 C CA . HIS A 0 49 . -29.356 12.443 31.522 1.00 62.76 49 A 1 ATOM 393 C C . HIS A 0 49 . -30.650 11.703 31.942 1.00 62.76 49 A 1 ATOM 394 C CB . HIS A 0 49 . -29.526 13.972 31.352 1.00 62.76 49 A 1 ATOM 395 O O . HIS A 0 49 . -31.763 12.152 31.677 1.00 62.76 49 A 1 ATOM 396 C CG . HIS A 0 49 . -29.200 14.762 32.589 1.00 62.76 49 A 1 ATOM 397 C CD2 . HIS A 0 49 . -29.909 14.759 33.750 1.00 62.76 49 A 1 ATOM 398 N ND1 . HIS A 0 49 . -28.158 15.650 32.752 1.00 62.76 49 A 1 ATOM 399 C CE1 . HIS A 0 49 . -28.237 16.160 33.992 1.00 62.76 49 A 1 ATOM 400 N NE2 . HIS A 0 49 . -29.286 15.641 34.637 1.00 62.76 49 A 1 ATOM 401 N N . LYS A 0 50 . -30.505 10.578 32.652 1.00 60.45 50 A 1 ATOM 402 C CA . LYS A 0 50 . -31.567 10.035 33.512 1.00 60.45 50 A 1 ATOM 403 C C . LYS A 0 50 . -31.630 10.896 34.785 1.00 60.45 50 A 1 ATOM 404 C CB . LYS A 0 50 . -31.302 8.540 33.821 1.00 60.45 50 A 1 ATOM 405 O O . LYS A 0 50 . -30.963 10.578 35.760 1.00 60.45 50 A 1 ATOM 406 C CG . LYS A 0 50 . -32.295 7.588 33.142 1.00 60.45 50 A 1 ATOM 407 C CD . LYS A 0 50 . -32.035 6.147 33.611 1.00 60.45 50 A 1 ATOM 408 C CE . LYS A 0 50 . -33.241 5.257 33.297 1.00 60.45 50 A 1 ATOM 409 N NZ . LYS A 0 50 . -33.001 3.858 33.724 1.00 60.45 50 A 1 ATOM 410 N N . ASP A 0 51 . -32.389 11.986 34.753 1.00 57.88 51 A 1 ATOM 411 C CA . ASP A 0 51 . -32.834 12.699 35.961 1.00 57.88 51 A 1 ATOM 412 C C . ASP A 0 51 . -34.364 12.702 35.966 1.00 57.88 51 A 1 ATOM 413 C CB . ASP A 0 51 . -32.209 14.098 36.062 1.00 57.88 51 A 1 ATOM 414 O O . ASP A 0 51 . -35.013 13.468 35.250 1.00 57.88 51 A 1 ATOM 415 C CG . ASP A 0 51 . -32.453 14.771 37.413 1.00 57.88 51 A 1 ATOM 416 O OD1 . ASP A 0 51 . -33.392 15.592 37.507 1.00 57.88 51 A 1 ATOM 417 O OD2 . ASP A 0 51 . -31.679 14.452 38.342 1.00 57.88 51 A 1 ATOM 418 N N . ARG A 0 52 . -34.926 11.717 36.671 1.00 51.45 52 A 1 ATOM 419 C CA . ARG A 0 52 . -36.190 11.807 37.403 1.00 51.45 52 A 1 ATOM 420 C C . ARG A 0 52 . -36.293 10.657 38.395 1.00 51.45 52 A 1 ATOM 421 C CB . ARG A 0 52 . -37.424 11.821 36.491 1.00 51.45 52 A 1 ATOM 422 O O . ARG A 0 52 . -35.950 9.520 37.996 1.00 51.45 52 A 1 ATOM 423 C CG . ARG A 0 52 . -38.583 12.441 37.280 1.00 51.45 52 A 1 ATOM 424 C CD . ARG A 0 52 . -39.843 12.513 36.425 1.00 51.45 52 A 1 ATOM 425 N NE . ARG A 0 52 . -40.770 13.527 36.951 1.00 51.45 52 A 1 ATOM 426 N NH1 . ARG A 0 52 . -42.429 13.224 35.410 1.00 51.45 52 A 1 ATOM 427 N NH2 . ARG A 0 52 . -42.590 14.879 36.902 1.00 51.45 52 A 1 ATOM 428 C CZ . ARG A 0 52 . -41.922 13.870 36.422 1.00 51.45 52 A 1 ATOM 429 O OXT . ARG A 0 52 . -36.776 10.950 39.503 1.00 51.45 52 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 74.09 # loop_ _atom_type.symbol C N O S #