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 HIS 0 3 HIS 0 4 SER 0 5 VAL 0 6 LEU 0 7 PHE 0 8 GLU 0 9 VAL 0 10 ILE 0 11 LEU 0 12 ILE 0 13 SER 0 14 PHE 0 15 LEU 0 16 PHE 0 17 HIS 0 18 LYS 0 19 SER 0 20 ILE 0 21 GLN 0 22 THR 0 23 ASP 0 24 ILE 0 25 ASN 0 26 SER 0 27 GLU 0 28 TYR 0 29 LEU 0 30 LEU 0 31 LYS 0 32 ALA 0 33 LYS 0 34 ARG 0 35 GLU 0 36 LEU 0 37 ILE 0 38 ILE 0 39 ARG 0 40 GLU 0 41 ASN 0 42 ASP 0 43 LEU 0 44 LEU 0 45 LYS 0 46 TYR 0 47 GLN 0 48 ILE 0 49 GLU 0 50 ASP 0 51 ILE 0 52 ILE 0 53 TYR 0 54 TYR 0 55 ASP 0 56 GLU 0 57 LEU 0 58 ILE 0 59 SER 0 60 ASN 0 61 TYR 0 62 VAL 0 63 LEU # 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 . 26.648 -4.129 -37.831 1.00 63.21 1 A 1 ATOM 2 C CA . MET A 0 1 . 26.754 -4.787 -36.508 1.00 63.21 1 A 1 ATOM 3 C C . MET A 0 1 . 26.606 -3.817 -35.331 1.00 63.21 1 A 1 ATOM 4 C CB . MET A 0 1 . 27.998 -5.679 -36.408 1.00 63.21 1 A 1 ATOM 5 O O . MET A 0 1 . 25.829 -4.132 -34.444 1.00 63.21 1 A 1 ATOM 6 C CG . MET A 0 1 . 27.711 -7.026 -37.085 1.00 63.21 1 A 1 ATOM 7 S SD . MET A 0 1 . 29.083 -8.195 -36.982 1.00 63.21 1 A 1 ATOM 8 C CE . MET A 0 1 . 28.179 -9.767 -37.079 1.00 63.21 1 A 1 ATOM 9 N N . HIS A 0 2 . 27.228 -2.626 -35.319 1.00 63.97 2 A 1 ATOM 10 C CA . HIS A 0 2 . 27.109 -1.677 -34.188 1.00 63.97 2 A 1 ATOM 11 C C . HIS A 0 2 . 25.682 -1.223 -33.827 1.00 63.97 2 A 1 ATOM 12 C CB . HIS A 0 2 . 27.991 -0.448 -34.455 1.00 63.97 2 A 1 ATOM 13 O O . HIS A 0 2 . 25.388 -1.068 -32.646 1.00 63.97 2 A 1 ATOM 14 C CG . HIS A 0 2 . 29.456 -0.752 -34.307 1.00 63.97 2 A 1 ATOM 15 C CD2 . HIS A 0 2 . 30.445 -0.524 -35.226 1.00 63.97 2 A 1 ATOM 16 N ND1 . HIS A 0 2 . 30.056 -1.293 -33.190 1.00 63.97 2 A 1 ATOM 17 C CE1 . HIS A 0 2 . 31.371 -1.404 -33.437 1.00 63.97 2 A 1 ATOM 18 N NE2 . HIS A 0 2 . 31.646 -0.966 -34.673 1.00 63.97 2 A 1 ATOM 19 N N . HIS A 0 3 . 24.775 -1.064 -34.798 1.00 68.45 3 A 1 ATOM 20 C CA . HIS A 0 3 . 23.387 -0.676 -34.505 1.00 68.45 3 A 1 ATOM 21 C C . HIS A 0 3 . 22.608 -1.716 -33.681 1.00 68.45 3 A 1 ATOM 22 C CB . HIS A 0 3 . 22.648 -0.346 -35.810 1.00 68.45 3 A 1 ATOM 23 O O . HIS A 0 3 . 21.744 -1.323 -32.905 1.00 68.45 3 A 1 ATOM 24 C CG . HIS A 0 3 . 23.095 0.960 -36.414 1.00 68.45 3 A 1 ATOM 25 C CD2 . HIS A 0 3 . 23.725 1.144 -37.615 1.00 68.45 3 A 1 ATOM 26 N ND1 . HIS A 0 3 . 22.925 2.206 -35.852 1.00 68.45 3 A 1 ATOM 27 C CE1 . HIS A 0 3 . 23.452 3.116 -36.688 1.00 68.45 3 A 1 ATOM 28 N NE2 . HIS A 0 3 . 23.965 2.509 -37.769 1.00 68.45 3 A 1 ATOM 29 N N . SER A 0 4 . 22.938 -3.011 -33.792 1.00 81.75 4 A 1 ATOM 30 C CA . SER A 0 4 . 22.312 -4.066 -32.975 1.00 81.75 4 A 1 ATOM 31 C C . SER A 0 4 . 22.675 -3.901 -31.501 1.00 81.75 4 A 1 ATOM 32 C CB . SER A 0 4 . 22.762 -5.450 -33.453 1.00 81.75 4 A 1 ATOM 33 O O . SER A 0 4 . 21.803 -3.904 -30.642 1.00 81.75 4 A 1 ATOM 34 O OG . SER A 0 4 . 21.961 -6.477 -32.914 1.00 81.75 4 A 1 ATOM 35 N N . VAL A 0 5 . 23.959 -3.654 -31.223 1.00 86.31 5 A 1 ATOM 36 C CA . VAL A 0 5 . 24.463 -3.452 -29.857 1.00 86.31 5 A 1 ATOM 37 C C . VAL A 0 5 . 23.893 -2.168 -29.249 1.00 86.31 5 A 1 ATOM 38 C CB . VAL A 0 5 . 26.004 -3.419 -29.847 1.00 86.31 5 A 1 ATOM 39 O O . VAL A 0 5 . 23.475 -2.155 -28.098 1.00 86.31 5 A 1 ATOM 40 C CG1 . VAL A 0 5 . 26.555 -3.310 -28.422 1.00 86.31 5 A 1 ATOM 41 C CG2 . VAL A 0 5 . 26.603 -4.675 -30.497 1.00 86.31 5 A 1 ATOM 42 N N . LEU A 0 6 . 23.815 -1.087 -30.033 1.00 85.30 6 A 1 ATOM 43 C CA . LEU A 0 6 . 23.190 0.167 -29.597 1.00 85.30 6 A 1 ATOM 44 C C . LEU A 0 6 . 21.713 -0.029 -29.228 1.00 85.30 6 A 1 ATOM 45 C CB . LEU A 0 6 . 23.370 1.228 -30.703 1.00 85.30 6 A 1 ATOM 46 O O . LEU A 0 6 . 21.264 0.495 -28.210 1.00 85.30 6 A 1 ATOM 47 C CG . LEU A 0 6 . 24.336 2.352 -30.288 1.00 85.30 6 A 1 ATOM 48 C CD1 . LEU A 0 6 . 25.039 2.929 -31.516 1.00 85.30 6 A 1 ATOM 49 C CD2 . LEU A 0 6 . 23.585 3.479 -29.576 1.00 85.30 6 A 1 ATOM 50 N N . PHE A 0 7 . 20.973 -0.810 -30.018 1.00 88.61 7 A 1 ATOM 51 C CA . PHE A 0 7 . 19.585 -1.149 -29.714 1.00 88.61 7 A 1 ATOM 52 C C . PHE A 0 7 . 19.460 -1.979 -28.427 1.00 88.61 7 A 1 ATOM 53 C CB . PHE A 0 7 . 18.965 -1.868 -30.917 1.00 88.61 7 A 1 ATOM 54 O O . PHE A 0 7 . 18.628 -1.658 -27.581 1.00 88.61 7 A 1 ATOM 55 C CG . PHE A 0 7 . 17.522 -2.263 -30.688 1.00 88.61 7 A 1 ATOM 56 C CD1 . PHE A 0 7 . 17.199 -3.587 -30.337 1.00 88.61 7 A 1 ATOM 57 C CD2 . PHE A 0 7 . 16.507 -1.294 -30.782 1.00 88.61 7 A 1 ATOM 58 C CE1 . PHE A 0 7 . 15.861 -3.941 -30.088 1.00 88.61 7 A 1 ATOM 59 C CE2 . PHE A 0 7 . 15.170 -1.648 -30.532 1.00 88.61 7 A 1 ATOM 60 C CZ . PHE A 0 7 . 14.847 -2.972 -30.187 1.00 88.61 7 A 1 ATOM 61 N N . GLU A 0 8 . 20.317 -2.985 -28.233 1.00 89.55 8 A 1 ATOM 62 C CA . GLU A 0 8 . 20.349 -3.797 -27.009 1.00 89.55 8 A 1 ATOM 63 C C . GLU A 0 8 . 20.618 -2.949 -25.758 1.00 89.55 8 A 1 ATOM 64 C CB . GLU A 0 8 . 21.416 -4.894 -27.138 1.00 89.55 8 A 1 ATOM 65 O O . GLU A 0 8 . 19.921 -3.095 -24.755 1.00 89.55 8 A 1 ATOM 66 C CG . GLU A 0 8 . 20.971 -6.037 -28.064 1.00 89.55 8 A 1 ATOM 67 C CD . GLU A 0 8 . 22.122 -6.987 -28.433 1.00 89.55 8 A 1 ATOM 68 O OE1 . GLU A 0 8 . 21.975 -7.684 -29.464 1.00 89.55 8 A 1 ATOM 69 O OE2 . GLU A 0 8 . 23.161 -6.977 -27.735 1.00 89.55 8 A 1 ATOM 70 N N . VAL A 0 9 . 21.559 -2.002 -25.821 1.00 92.01 9 A 1 ATOM 71 C CA . VAL A 0 9 . 21.865 -1.099 -24.698 1.00 92.01 9 A 1 ATOM 72 C C . VAL A 0 9 . 20.673 -0.197 -24.360 1.00 92.01 9 A 1 ATOM 73 C CB . VAL A 0 9 . 23.129 -0.269 -24.999 1.00 92.01 9 A 1 ATOM 74 O O . VAL A 0 9 . 20.350 -0.021 -23.181 1.00 92.01 9 A 1 ATOM 75 C CG1 . VAL A 0 9 . 23.395 0.815 -23.944 1.00 92.01 9 A 1 ATOM 76 C CG2 . VAL A 0 9 . 24.371 -1.170 -25.033 1.00 92.01 9 A 1 ATOM 77 N N . ILE A 0 10 . 19.987 0.347 -25.371 1.00 91.65 10 A 1 ATOM 78 C CA . ILE A 0 10 . 18.780 1.166 -25.171 1.00 91.65 10 A 1 ATOM 79 C C . ILE A 0 10 . 17.663 0.324 -24.545 1.00 91.65 10 A 1 ATOM 80 C CB . ILE A 0 10 . 18.333 1.815 -26.503 1.00 91.65 10 A 1 ATOM 81 O O . ILE A 0 10 . 17.018 0.769 -23.595 1.00 91.65 10 A 1 ATOM 82 C CG1 . ILE A 0 10 . 19.363 2.880 -26.948 1.00 91.65 10 A 1 ATOM 83 C CG2 . ILE A 0 10 . 16.940 2.466 -26.375 1.00 91.65 10 A 1 ATOM 84 C CD1 . ILE A 0 10 . 19.188 3.344 -28.400 1.00 91.65 10 A 1 ATOM 85 N N . LEU A 0 11 . 17.461 -0.901 -25.035 1.00 91.01 11 A 1 ATOM 86 C CA . LEU A 0 11 . 16.442 -1.811 -24.522 1.00 91.01 11 A 1 ATOM 87 C C . LEU A 0 11 . 16.701 -2.179 -23.057 1.00 91.01 11 A 1 ATOM 88 C CB . LEU A 0 11 . 16.396 -3.054 -25.426 1.00 91.01 11 A 1 ATOM 89 O O . LEU A 0 11 . 15.794 -2.083 -22.233 1.00 91.01 11 A 1 ATOM 90 C CG . LEU A 0 11 . 15.301 -4.063 -25.038 1.00 91.01 11 A 1 ATOM 91 C CD1 . LEU A 0 11 . 13.896 -3.480 -25.218 1.00 91.01 11 A 1 ATOM 92 C CD2 . LEU A 0 11 . 15.425 -5.309 -25.911 1.00 91.01 11 A 1 ATOM 93 N N . ILE A 0 12 . 17.940 -2.539 -22.714 1.00 92.53 12 A 1 ATOM 94 C CA . ILE A 0 12 . 18.338 -2.853 -21.336 1.00 92.53 12 A 1 ATOM 95 C C . ILE A 0 12 . 18.111 -1.639 -20.428 1.00 92.53 12 A 1 ATOM 96 C CB . ILE A 0 12 . 19.802 -3.349 -21.317 1.00 92.53 12 A 1 ATOM 97 O O . ILE A 0 12 . 17.501 -1.768 -19.367 1.00 92.53 12 A 1 ATOM 98 C CG1 . ILE A 0 12 . 19.891 -4.755 -21.957 1.00 92.53 12 A 1 ATOM 99 C CG2 . ILE A 0 12 . 20.359 -3.396 -19.884 1.00 92.53 12 A 1 ATOM 100 C CD1 . ILE A 0 12 . 21.319 -5.172 -22.330 1.00 92.53 12 A 1 ATOM 101 N N . SER A 0 13 . 18.521 -0.447 -20.868 1.00 91.85 13 A 1 ATOM 102 C CA . SER A 0 13 . 18.324 0.799 -20.116 1.00 91.85 13 A 1 ATOM 103 C C . SER A 0 13 . 16.839 1.089 -19.864 1.00 91.85 13 A 1 ATOM 104 C CB . SER A 0 13 . 18.957 1.974 -20.868 1.00 91.85 13 A 1 ATOM 105 O O . SER A 0 13 . 16.452 1.462 -18.755 1.00 91.85 13 A 1 ATOM 106 O OG . SER A 0 13 . 20.337 1.746 -21.077 1.00 91.85 13 A 1 ATOM 107 N N . PHE A 0 14 . 15.985 0.862 -20.867 1.00 90.99 14 A 1 ATOM 108 C CA . PHE A 0 14 . 14.537 1.019 -20.740 1.00 90.99 14 A 1 ATOM 109 C C . PHE A 0 14 . 13.921 0.016 -19.754 1.00 90.99 14 A 1 ATOM 110 C CB . PHE A 0 14 . 13.900 0.892 -22.128 1.00 90.99 14 A 1 ATOM 111 O O . PHE A 0 14 . 13.088 0.400 -18.930 1.00 90.99 14 A 1 ATOM 112 C CG . PHE A 0 14 . 12.391 1.021 -22.108 1.00 90.99 14 A 1 ATOM 113 C CD1 . PHE A 0 14 . 11.580 -0.129 -22.127 1.00 90.99 14 A 1 ATOM 114 C CD2 . PHE A 0 14 . 11.798 2.296 -22.057 1.00 90.99 14 A 1 ATOM 115 C CE1 . PHE A 0 14 . 10.180 -0.003 -22.123 1.00 90.99 14 A 1 ATOM 116 C CE2 . PHE A 0 14 . 10.398 2.422 -22.055 1.00 90.99 14 A 1 ATOM 117 C CZ . PHE A 0 14 . 9.589 1.273 -22.102 1.00 90.99 14 A 1 ATOM 118 N N . LEU A 0 15 . 14.343 -1.252 -19.796 1.00 90.66 15 A 1 ATOM 119 C CA . LEU A 0 15 . 13.863 -2.286 -18.874 1.00 90.66 15 A 1 ATOM 120 C C . LEU A 0 15 . 14.265 -1.988 -17.425 1.00 90.66 15 A 1 ATOM 121 C CB . LEU A 0 15 . 14.385 -3.664 -19.317 1.00 90.66 15 A 1 ATOM 122 O O . LEU A 0 15 . 13.423 -2.097 -16.534 1.00 90.66 15 A 1 ATOM 123 C CG . LEU A 0 15 . 13.760 -4.201 -20.618 1.00 90.66 15 A 1 ATOM 124 C CD1 . LEU A 0 15 . 14.474 -5.489 -21.028 1.00 90.66 15 A 1 ATOM 125 C CD2 . LEU A 0 15 . 12.267 -4.502 -20.470 1.00 90.66 15 A 1 ATOM 126 N N . PHE A 0 16 . 15.499 -1.533 -17.187 1.00 91.93 16 A 1 ATOM 127 C CA . PHE A 0 16 . 15.932 -1.100 -15.855 1.00 91.93 16 A 1 ATOM 128 C C . PHE A 0 16 . 15.096 0.069 -15.334 1.00 91.93 16 A 1 ATOM 129 C CB . PHE A 0 16 . 17.420 -0.726 -15.866 1.00 91.93 16 A 1 ATOM 130 O O . PHE A 0 16 . 14.638 0.032 -14.194 1.00 91.93 16 A 1 ATOM 131 C CG . PHE A 0 16 . 18.334 -1.898 -15.585 1.00 91.93 16 A 1 ATOM 132 C CD1 . PHE A 0 16 . 18.351 -2.470 -14.300 1.00 91.93 16 A 1 ATOM 133 C CD2 . PHE A 0 16 . 19.175 -2.410 -16.587 1.00 91.93 16 A 1 ATOM 134 C CE1 . PHE A 0 16 . 19.195 -3.559 -14.023 1.00 91.93 16 A 1 ATOM 135 C CE2 . PHE A 0 16 . 20.020 -3.500 -16.311 1.00 91.93 16 A 1 ATOM 136 C CZ . PHE A 0 16 . 20.027 -4.076 -15.030 1.00 91.93 16 A 1 ATOM 137 N N . HIS A 0 17 . 14.831 1.077 -16.169 1.00 90.37 17 A 1 ATOM 138 C CA . HIS A 0 17 . 13.981 2.201 -15.781 1.00 90.37 17 A 1 ATOM 139 C C . HIS A 0 17 . 12.558 1.746 -15.418 1.00 90.37 17 A 1 ATOM 140 C CB . HIS A 0 17 . 13.970 3.230 -16.914 1.00 90.37 17 A 1 ATOM 141 O O . HIS A 0 17 . 12.015 2.159 -14.392 1.00 90.37 17 A 1 ATOM 142 C CG . HIS A 0 17 . 13.195 4.471 -16.559 1.00 90.37 17 A 1 ATOM 143 C CD2 . HIS A 0 17 . 12.060 4.929 -17.170 1.00 90.37 17 A 1 ATOM 144 N ND1 . HIS A 0 17 . 13.492 5.351 -15.544 1.00 90.37 17 A 1 ATOM 145 C CE1 . HIS A 0 17 . 12.557 6.315 -15.546 1.00 90.37 17 A 1 ATOM 146 N NE2 . HIS A 0 17 . 11.674 6.109 -16.534 1.00 90.37 17 A 1 ATOM 147 N N . LYS A 0 18 . 11.973 0.838 -16.212 1.00 90.49 18 A 1 ATOM 148 C CA . LYS A 0 18 . 10.661 0.244 -15.919 1.00 90.49 18 A 1 ATOM 149 C C . LYS A 0 18 . 10.656 -0.568 -14.624 1.00 90.49 18 A 1 ATOM 150 C CB . LYS A 0 18 . 10.197 -0.618 -17.107 1.00 90.49 18 A 1 ATOM 151 O O . LYS A 0 18 . 9.678 -0.478 -13.884 1.00 90.49 18 A 1 ATOM 152 C CG . LYS A 0 18 . 9.694 0.208 -18.300 1.00 90.49 18 A 1 ATOM 153 C CD . LYS A 0 18 . 8.353 0.889 -17.991 1.00 90.49 18 A 1 ATOM 154 C CE . LYS A 0 18 . 7.850 1.651 -19.216 1.00 90.49 18 A 1 ATOM 155 N NZ . LYS A 0 18 . 6.603 2.391 -18.902 1.00 90.49 18 A 1 ATOM 156 N N . SER A 0 19 . 11.726 -1.309 -14.333 1.00 89.79 19 A 1 ATOM 157 C CA . SER A 0 19 . 11.870 -2.057 -13.077 1.00 89.79 19 A 1 ATOM 158 C C . SER A 0 19 . 11.883 -1.112 -11.880 1.00 89.79 19 A 1 ATOM 159 C CB . SER A 0 19 . 13.147 -2.900 -13.085 1.00 89.79 19 A 1 ATOM 160 O O . SER A 0 19 . 11.025 -1.226 -11.014 1.00 89.79 19 A 1 ATOM 161 O OG . SER A 0 19 . 13.156 -3.803 -11.998 1.00 89.79 19 A 1 ATOM 162 N N . ILE A 0 20 . 12.767 -0.109 -11.893 1.00 90.69 20 A 1 ATOM 163 C CA . ILE A 0 20 . 12.895 0.873 -10.806 1.00 90.69 20 A 1 ATOM 164 C C . ILE A 0 20 . 11.560 1.580 -10.555 1.00 90.69 20 A 1 ATOM 165 C CB . ILE A 0 20 . 14.011 1.888 -11.146 1.00 90.69 20 A 1 ATOM 166 O O . ILE A 0 20 . 11.139 1.745 -9.415 1.00 90.69 20 A 1 ATOM 167 C CG1 . ILE A 0 20 . 15.393 1.195 -11.155 1.00 90.69 20 A 1 ATOM 168 C CG2 . ILE A 0 20 . 14.021 3.067 -10.154 1.00 90.69 20 A 1 ATOM 169 C CD1 . ILE A 0 20 . 16.490 2.024 -11.836 1.00 90.69 20 A 1 ATOM 170 N N . GLN A 0 21 . 10.855 1.975 -11.616 1.00 88.21 21 A 1 ATOM 171 C CA . GLN A 0 21 . 9.568 2.646 -11.463 1.00 88.21 21 A 1 ATOM 172 C C . GLN A 0 21 . 8.472 1.715 -10.926 1.00 88.21 21 A 1 ATOM 173 C CB . GLN A 0 21 . 9.199 3.286 -12.800 1.00 88.21 21 A 1 ATOM 174 O O . GLN A 0 21 . 7.582 2.167 -10.208 1.00 88.21 21 A 1 ATOM 175 C CG . GLN A 0 21 . 8.081 4.326 -12.631 1.00 88.21 21 A 1 ATOM 176 C CD . GLN A 0 21 . 8.207 5.484 -13.613 1.00 88.21 21 A 1 ATOM 177 N NE2 . GLN A 0 21 . 7.481 6.559 -13.409 1.00 88.21 21 A 1 ATOM 178 O OE1 . GLN A 0 21 . 8.936 5.455 -14.587 1.00 88.21 21 A 1 ATOM 179 N N . THR A 0 22 . 8.544 0.420 -11.236 1.00 88.73 22 A 1 ATOM 180 C CA . THR A 0 22 . 7.644 -0.590 -10.665 1.00 88.73 22 A 1 ATOM 181 C C . THR A 0 22 . 7.925 -0.783 -9.178 1.00 88.73 22 A 1 ATOM 182 C CB . THR A 0 22 . 7.750 -1.924 -11.417 1.00 88.73 22 A 1 ATOM 183 O O . THR A 0 22 . 6.980 -0.785 -8.389 1.00 88.73 22 A 1 ATOM 184 C CG2 . THR A 0 22 . 6.713 -2.940 -10.940 1.00 88.73 22 A 1 ATOM 185 O OG1 . THR A 0 22 . 7.500 -1.694 -12.789 1.00 88.73 22 A 1 ATOM 186 N N . ASP A 0 23 . 9.199 -0.851 -8.787 1.00 88.90 23 A 1 ATOM 187 C CA . ASP A 0 23 . 9.612 -0.978 -7.387 1.00 88.90 23 A 1 ATOM 188 C C . ASP A 0 23 . 9.136 0.228 -6.568 1.00 88.90 23 A 1 ATOM 189 C CB . ASP A 0 23 . 11.138 -1.148 -7.291 1.00 88.90 23 A 1 ATOM 190 O O . ASP A 0 23 . 8.435 0.056 -5.569 1.00 88.90 23 A 1 ATOM 191 C CG . ASP A 0 23 . 11.644 -2.462 -7.900 1.00 88.90 23 A 1 ATOM 192 O OD1 . ASP A 0 23 . 10.868 -3.445 -7.906 1.00 88.90 23 A 1 ATOM 193 O OD2 . ASP A 0 23 . 12.804 -2.470 -8.372 1.00 88.90 23 A 1 ATOM 194 N N . ILE A 0 24 . 9.391 1.447 -7.054 1.00 88.61 24 A 1 ATOM 195 C CA . ILE A 0 24 . 8.925 2.690 -6.424 1.00 88.61 24 A 1 ATOM 196 C C . ILE A 0 24 . 7.395 2.694 -6.280 1.00 88.61 24 A 1 ATOM 197 C CB . ILE A 0 24 . 9.437 3.905 -7.235 1.00 88.61 24 A 1 ATOM 198 O O . ILE A 0 24 . 6.865 2.959 -5.200 1.00 88.61 24 A 1 ATOM 199 C CG1 . ILE A 0 24 . 10.970 4.049 -7.096 1.00 88.61 24 A 1 ATOM 200 C CG2 . ILE A 0 24 . 8.763 5.202 -6.768 1.00 88.61 24 A 1 ATOM 201 C CD1 . ILE A 0 24 . 11.585 5.060 -8.075 1.00 88.61 24 A 1 ATOM 202 N N . ASN A 0 25 . 6.661 2.360 -7.346 1.00 89.43 25 A 1 ATOM 203 C CA . ASN A 0 25 . 5.198 2.313 -7.303 1.00 89.43 25 A 1 ATOM 204 C C . ASN A 0 25 . 4.682 1.264 -6.308 1.00 89.43 25 A 1 ATOM 205 C CB . ASN A 0 25 . 4.658 2.026 -8.711 1.00 89.43 25 A 1 ATOM 206 O O . ASN A 0 25 . 3.668 1.495 -5.647 1.00 89.43 25 A 1 ATOM 207 C CG . ASN A 0 25 . 4.751 3.206 -9.660 1.00 89.43 25 A 1 ATOM 208 N ND2 . ASN A 0 25 . 4.495 2.978 -10.926 1.00 89.43 25 A 1 ATOM 209 O OD1 . ASN A 0 25 . 4.992 4.347 -9.302 1.00 89.43 25 A 1 ATOM 210 N N . SER A 0 26 . 5.369 0.126 -6.184 1.00 90.48 26 A 1 ATOM 211 C CA . SER A 0 26 . 5.005 -0.921 -5.229 1.00 90.48 26 A 1 ATOM 212 C C . SER A 0 26 . 5.167 -0.452 -3.781 1.00 90.48 26 A 1 ATOM 213 C CB . SER A 0 26 . 5.802 -2.200 -5.510 1.00 90.48 26 A 1 ATOM 214 O O . SER A 0 26 . 4.294 -0.713 -2.951 1.00 90.48 26 A 1 ATOM 215 O OG . SER A 0 26 . 7.106 -2.174 -4.973 1.00 90.48 26 A 1 ATOM 216 N N . GLU A 0 27 . 6.219 0.316 -3.490 1.00 92.06 27 A 1 ATOM 217 C CA . GLU A 0 27 . 6.477 0.868 -2.163 1.00 92.06 27 A 1 ATOM 218 C C . GLU A 0 27 . 5.425 1.920 -1.782 1.00 92.06 27 A 1 ATOM 219 C CB . GLU A 0 27 . 7.902 1.437 -2.129 1.00 92.06 27 A 1 ATOM 220 O O . GLU A 0 27 . 4.839 1.854 -0.696 1.00 92.06 27 A 1 ATOM 221 C CG . GLU A 0 27 . 8.329 1.747 -0.689 1.00 92.06 27 A 1 ATOM 222 C CD . GLU A 0 27 . 9.748 2.322 -0.572 1.00 92.06 27 A 1 ATOM 223 O OE1 . GLU A 0 27 . 10.105 2.676 0.575 1.00 92.06 27 A 1 ATOM 224 O OE2 . GLU A 0 27 . 10.450 2.423 -1.602 1.00 92.06 27 A 1 ATOM 225 N N . TYR A 0 28 . 5.095 2.831 -2.704 1.00 89.67 28 A 1 ATOM 226 C CA . TYR A 0 28 . 4.014 3.800 -2.505 1.00 89.67 28 A 1 ATOM 227 C C . TYR A 0 28 . 2.653 3.123 -2.324 1.00 89.67 28 A 1 ATOM 228 C CB . TYR A 0 28 . 3.958 4.792 -3.672 1.00 89.67 28 A 1 ATOM 229 O O . TYR A 0 28 . 1.885 3.522 -1.447 1.00 89.67 28 A 1 ATOM 230 C CG . TYR A 0 28 . 4.997 5.890 -3.588 1.00 89.67 28 A 1 ATOM 231 C CD1 . TYR A 0 28 . 4.915 6.854 -2.564 1.00 89.67 28 A 1 ATOM 232 C CD2 . TYR A 0 28 . 6.022 5.971 -4.545 1.00 89.67 28 A 1 ATOM 233 C CE1 . TYR A 0 28 . 5.878 7.878 -2.477 1.00 89.67 28 A 1 ATOM 234 C CE2 . TYR A 0 28 . 6.980 6.999 -4.465 1.00 89.67 28 A 1 ATOM 235 O OH . TYR A 0 28 . 7.857 8.925 -3.362 1.00 89.67 28 A 1 ATOM 236 C CZ . TYR A 0 28 . 6.921 7.942 -3.426 1.00 89.67 28 A 1 ATOM 237 N N . LEU A 0 29 . 2.356 2.072 -3.096 1.00 90.71 29 A 1 ATOM 238 C CA . LEU A 0 29 . 1.121 1.303 -2.941 1.00 90.71 29 A 1 ATOM 239 C C . LEU A 0 29 . 1.052 0.633 -1.564 1.00 90.71 29 A 1 ATOM 240 C CB . LEU A 0 29 . 1.036 0.261 -4.071 1.00 90.71 29 A 1 ATOM 241 O O . LEU A 0 29 . -0.001 0.629 -0.924 1.00 90.71 29 A 1 ATOM 242 C CG . LEU A 0 29 . -0.259 -0.570 -4.057 1.00 90.71 29 A 1 ATOM 243 C CD1 . LEU A 0 29 . -1.486 0.280 -4.392 1.00 90.71 29 A 1 ATOM 244 C CD2 . LEU A 0 29 . -0.160 -1.705 -5.075 1.00 90.71 29 A 1 ATOM 245 N N . LEU A 0 30 . 2.167 0.077 -1.091 1.00 93.83 30 A 1 ATOM 246 C CA . LEU A 0 30 . 2.242 -0.568 0.216 1.00 93.83 30 A 1 ATOM 247 C C . LEU A 0 30 . 2.071 0.448 1.352 1.00 93.83 30 A 1 ATOM 248 C CB . LEU A 0 30 . 3.565 -1.345 0.295 1.00 93.83 30 A 1 ATOM 249 O O . LEU A 0 30 . 1.372 0.165 2.327 1.00 93.83 30 A 1 ATOM 250 C CG . LEU A 0 30 . 3.541 -2.455 1.362 1.00 93.83 30 A 1 ATOM 251 C CD1 . LEU A 0 30 . 4.035 -3.775 0.768 1.00 93.83 30 A 1 ATOM 252 C CD2 . LEU A 0 30 . 4.414 -2.110 2.568 1.00 93.83 30 A 1 ATOM 253 N N . LYS A 0 31 . 2.636 1.651 1.201 1.00 94.01 31 A 1 ATOM 254 C CA . LYS A 0 31 . 2.423 2.766 2.129 1.00 94.01 31 A 1 ATOM 255 C C . LYS A 0 31 . 0.959 3.217 2.155 1.00 94.01 31 A 1 ATOM 256 C CB . LYS A 0 31 . 3.376 3.912 1.768 1.00 94.01 31 A 1 ATOM 257 O O . LYS A 0 31 . 0.385 3.303 3.236 1.00 94.01 31 A 1 ATOM 258 C CG . LYS A 0 31 . 3.336 4.999 2.848 1.00 94.01 31 A 1 ATOM 259 C CD . LYS A 0 31 . 4.280 6.153 2.510 1.00 94.01 31 A 1 ATOM 260 C CE . LYS A 0 31 . 4.147 7.203 3.616 1.00 94.01 31 A 1 ATOM 261 N NZ . LYS A 0 31 . 4.968 8.401 3.333 1.00 94.01 31 A 1 ATOM 262 N N . ALA A 0 32 . 0.336 3.411 0.991 1.00 90.23 32 A 1 ATOM 263 C CA . ALA A 0 32 . -1.072 3.794 0.890 1.00 90.23 32 A 1 ATOM 264 C C . ALA A 0 32 . -2.003 2.753 1.536 1.00 90.23 32 A 1 ATOM 265 C CB . ALA A 0 32 . -1.414 4.009 -0.589 1.00 90.23 32 A 1 ATOM 266 O O . ALA A 0 32 . -2.923 3.112 2.266 1.00 90.23 32 A 1 ATOM 267 N N . LYS A 0 33 . -1.727 1.453 1.346 1.00 93.16 33 A 1 ATOM 268 C CA . LYS A 0 33 . -2.471 0.375 2.021 1.00 93.16 33 A 1 ATOM 269 C C . LYS A 0 33 . -2.343 0.439 3.544 1.00 93.16 33 A 1 ATOM 270 C CB . LYS A 0 33 . -2.009 -0.999 1.520 1.00 93.16 33 A 1 ATOM 271 O O . LYS A 0 33 . -3.330 0.223 4.238 1.00 93.16 33 A 1 ATOM 272 C CG . LYS A 0 33 . -2.574 -1.334 0.135 1.00 93.16 33 A 1 ATOM 273 C CD . LYS A 0 33 . -2.118 -2.734 -0.289 1.00 93.16 33 A 1 ATOM 274 C CE . LYS A 0 33 . -2.703 -3.080 -1.660 1.00 93.16 33 A 1 ATOM 275 N NZ . LYS A 0 33 . -2.358 -4.465 -2.063 1.00 93.16 33 A 1 ATOM 276 N N . ARG A 0 34 . -1.152 0.733 4.076 1.00 94.38 34 A 1 ATOM 277 C CA . ARG A 0 34 . -0.958 0.887 5.529 1.00 94.38 34 A 1 ATOM 278 C C . ARG A 0 34 . -1.726 2.084 6.079 1.00 94.38 34 A 1 ATOM 279 C CB . ARG A 0 34 . 0.528 1.015 5.877 1.00 94.38 34 A 1 ATOM 280 O O . ARG A 0 34 . -2.373 1.948 7.110 1.00 94.38 34 A 1 ATOM 281 C CG . ARG A 0 34 . 1.275 -0.316 5.758 1.00 94.38 34 A 1 ATOM 282 C CD . ARG A 0 34 . 2.745 -0.089 6.119 1.00 94.38 34 A 1 ATOM 283 N NE . ARG A 0 34 . 3.543 -1.317 5.964 1.00 94.38 34 A 1 ATOM 284 N NH1 . ARG A 0 34 . 5.518 -0.471 6.775 1.00 94.38 34 A 1 ATOM 285 N NH2 . ARG A 0 34 . 5.445 -2.570 6.027 1.00 94.38 34 A 1 ATOM 286 C CZ . ARG A 0 34 . 4.825 -1.447 6.256 1.00 94.38 34 A 1 ATOM 287 N N . GLU A 0 35 . -1.674 3.225 5.396 1.00 93.16 35 A 1 ATOM 288 C CA . GLU A 0 35 . -2.430 4.416 5.800 1.00 93.16 35 A 1 ATOM 289 C C . GLU A 0 35 . -3.943 4.162 5.776 1.00 93.16 35 A 1 ATOM 290 C CB . GLU A 0 35 . -2.059 5.614 4.910 1.00 93.16 35 A 1 ATOM 291 O O . GLU A 0 35 . -4.633 4.570 6.706 1.00 93.16 35 A 1 ATOM 292 C CG . GLU A 0 35 . -0.666 6.172 5.255 1.00 93.16 35 A 1 ATOM 293 C CD . GLU A 0 35 . -0.226 7.350 4.364 1.00 93.16 35 A 1 ATOM 294 O OE1 . GLU A 0 35 . 0.972 7.725 4.455 1.00 93.16 35 A 1 ATOM 295 O OE2 . GLU A 0 35 . -1.057 7.858 3.581 1.00 93.16 35 A 1 ATOM 296 N N . LEU A 0 36 . -4.446 3.426 4.778 1.00 92.48 36 A 1 ATOM 297 C CA . LEU A 0 36 . -5.851 3.013 4.715 1.00 92.48 36 A 1 ATOM 298 C C . LEU A 0 36 . -6.252 2.177 5.942 1.00 92.48 36 A 1 ATOM 299 C CB . LEU A 0 36 . -6.096 2.237 3.410 1.00 92.48 36 A 1 ATOM 300 O O . LEU A 0 36 . -7.217 2.523 6.611 1.00 92.48 36 A 1 ATOM 301 C CG . LEU A 0 36 . -7.599 2.023 3.130 1.00 92.48 36 A 1 ATOM 302 C CD1 . LEU A 0 36 . -8.104 3.052 2.116 1.00 92.48 36 A 1 ATOM 303 C CD2 . LEU A 0 36 . -7.844 0.624 2.572 1.00 92.48 36 A 1 ATOM 304 N N . ILE A 0 37 . -5.477 1.141 6.283 1.00 90.75 37 A 1 ATOM 305 C CA . ILE A 0 37 . -5.757 0.270 7.441 1.00 90.75 37 A 1 ATOM 306 C C . ILE A 0 37 . -5.759 1.068 8.753 1.00 90.75 37 A 1 ATOM 307 C CB . ILE A 0 37 . -4.734 -0.890 7.497 1.00 90.75 37 A 1 ATOM 308 O O . ILE A 0 37 . -6.603 0.839 9.616 1.00 90.75 37 A 1 ATOM 309 C CG1 . ILE A 0 37 . -4.948 -1.856 6.309 1.00 90.75 37 A 1 ATOM 310 C CG2 . ILE A 0 37 . -4.826 -1.672 8.824 1.00 90.75 37 A 1 ATOM 311 C CD1 . ILE A 0 37 . -3.780 -2.828 6.086 1.00 90.75 37 A 1 ATOM 312 N N . ILE A 0 38 . -4.826 2.012 8.920 1.00 91.23 38 A 1 ATOM 313 C CA . ILE A 0 38 . -4.792 2.881 10.108 1.00 91.23 38 A 1 ATOM 314 C C . ILE A 0 38 . -6.076 3.713 10.185 1.00 91.23 38 A 1 ATOM 315 C CB . ILE A 0 38 . -3.523 3.764 10.111 1.00 91.23 38 A 1 ATOM 316 O O . ILE A 0 38 . -6.722 3.737 11.227 1.00 91.23 38 A 1 ATOM 317 C CG1 . ILE A 0 38 . -2.267 2.885 10.314 1.00 91.23 38 A 1 ATOM 318 C CG2 . ILE A 0 38 . -3.590 4.836 11.217 1.00 91.23 38 A 1 ATOM 319 C CD1 . ILE A 0 38 . -0.951 3.603 9.985 1.00 91.23 38 A 1 ATOM 320 N N . ARG A 0 39 . -6.487 4.335 9.073 1.00 86.89 39 A 1 ATOM 321 C CA . ARG A 0 39 . -7.717 5.136 9.016 1.00 86.89 39 A 1 ATOM 322 C C . ARG A 0 39 . -8.975 4.309 9.280 1.00 86.89 39 A 1 ATOM 323 C CB . ARG A 0 39 . -7.819 5.837 7.653 1.00 86.89 39 A 1 ATOM 324 O O . ARG A 0 39 . -9.869 4.795 9.965 1.00 86.89 39 A 1 ATOM 325 C CG . ARG A 0 39 . -6.792 6.958 7.451 1.00 86.89 39 A 1 ATOM 326 C CD . ARG A 0 39 . -7.056 8.138 8.387 1.00 86.89 39 A 1 ATOM 327 N NE . ARG A 0 39 . -6.218 9.294 8.028 1.00 86.89 39 A 1 ATOM 328 N NH1 . ARG A 0 39 . -7.110 10.743 9.562 1.00 86.89 39 A 1 ATOM 329 N NH2 . ARG A 0 39 . -5.505 11.449 8.174 1.00 86.89 39 A 1 ATOM 330 C CZ . ARG A 0 39 . -6.282 10.487 8.587 1.00 86.89 39 A 1 ATOM 331 N N . GLU A 0 40 . -9.047 3.086 8.762 1.00 86.32 40 A 1 ATOM 332 C CA . GLU A 0 40 . -10.156 2.161 9.028 1.00 86.32 40 A 1 ATOM 333 C C . GLU A 0 40 . -10.226 1.781 10.512 1.00 86.32 40 A 1 ATOM 334 C CB . GLU A 0 40 . -10.012 0.899 8.161 1.00 86.32 40 A 1 ATOM 335 O O . GLU A 0 40 . -11.301 1.829 11.106 1.00 86.32 40 A 1 ATOM 336 C CG . GLU A 0 40 . -10.370 1.158 6.689 1.00 86.32 40 A 1 ATOM 337 C CD . GLU A 0 40 . -10.177 -0.072 5.783 1.00 86.32 40 A 1 ATOM 338 O OE1 . GLU A 0 40 . -10.721 -0.038 4.654 1.00 86.32 40 A 1 ATOM 339 O OE2 . GLU A 0 40 . -9.460 -1.019 6.180 1.00 86.32 40 A 1 ATOM 340 N N . ASN A 0 41 . -9.084 1.477 11.135 1.00 86.66 41 A 1 ATOM 341 C CA . ASN A 0 41 . -9.024 1.169 12.564 1.00 86.66 41 A 1 ATOM 342 C C . ASN A 0 41 . -9.405 2.368 13.437 1.00 86.66 41 A 1 ATOM 343 C CB . ASN A 0 41 . -7.615 0.679 12.918 1.00 86.66 41 A 1 ATOM 344 O O . ASN A 0 41 . -10.130 2.195 14.416 1.00 86.66 41 A 1 ATOM 345 C CG . ASN A 0 41 . -7.348 -0.744 12.472 1.00 86.66 41 A 1 ATOM 346 N ND2 . ASN A 0 41 . -6.096 -1.104 12.320 1.00 86.66 41 A 1 ATOM 347 O OD1 . ASN A 0 41 . -8.224 -1.574 12.306 1.00 86.66 41 A 1 ATOM 348 N N . ASP A 0 42 . -8.955 3.572 13.080 1.00 86.86 42 A 1 ATOM 349 C CA . ASP A 0 42 . -9.334 4.793 13.790 1.00 86.86 42 A 1 ATOM 350 C C . ASP A 0 42 . -10.852 5.012 13.709 1.00 86.86 42 A 1 ATOM 351 C CB . ASP A 0 42 . -8.584 6.009 13.217 1.00 86.86 42 A 1 ATOM 352 O O . ASP A 0 42 . -11.494 5.243 14.730 1.00 86.86 42 A 1 ATOM 353 C CG . ASP A 0 42 . -7.091 6.077 13.565 1.00 86.86 42 A 1 ATOM 354 O OD1 . ASP A 0 42 . -6.657 5.411 14.535 1.00 86.86 42 A 1 ATOM 355 O OD2 . ASP A 0 42 . -6.395 6.859 12.871 1.00 86.86 42 A 1 ATOM 356 N N . LEU A 0 43 . -11.450 4.873 12.519 1.00 82.46 43 A 1 ATOM 357 C CA . LEU A 0 43 . -12.900 4.998 12.327 1.00 82.46 43 A 1 ATOM 358 C C . LEU A 0 43 . -13.689 3.970 13.144 1.00 82.46 43 A 1 ATOM 359 C CB . LEU A 0 43 . -13.234 4.852 10.833 1.00 82.46 43 A 1 ATOM 360 O O . LEU A 0 43 . -14.671 4.336 13.788 1.00 82.46 43 A 1 ATOM 361 C CG . LEU A 0 43 . -12.958 6.120 10.011 1.00 82.46 43 A 1 ATOM 362 C CD1 . LEU A 0 43 . -12.962 5.778 8.521 1.00 82.46 43 A 1 ATOM 363 C CD2 . LEU A 0 43 . -14.025 7.192 10.255 1.00 82.46 43 A 1 ATOM 364 N N . LEU A 0 44 . -13.257 2.706 13.148 1.00 85.17 44 A 1 ATOM 365 C CA . LEU A 0 44 . -13.883 1.662 13.962 1.00 85.17 44 A 1 ATOM 366 C C . LEU A 0 44 . -13.791 1.988 15.453 1.00 85.17 44 A 1 ATOM 367 C CB . LEU A 0 44 . -13.206 0.311 13.680 1.00 85.17 44 A 1 ATOM 368 O O . LEU A 0 44 . -14.766 1.818 16.180 1.00 85.17 44 A 1 ATOM 369 C CG . LEU A 0 44 . -13.609 -0.326 12.341 1.00 85.17 44 A 1 ATOM 370 C CD1 . LEU A 0 44 . -12.705 -1.531 12.068 1.00 85.17 44 A 1 ATOM 371 C CD2 . LEU A 0 44 . -15.060 -0.815 12.356 1.00 85.17 44 A 1 ATOM 372 N N . LYS A 0 45 . -12.640 2.489 15.908 1.00 85.05 45 A 1 ATOM 373 C CA . LYS A 0 45 . -12.452 2.890 17.300 1.00 85.05 45 A 1 ATOM 374 C C . LYS A 0 45 . -13.397 4.029 17.689 1.00 85.05 45 A 1 ATOM 375 C CB . LYS A 0 45 . -10.979 3.236 17.526 1.00 85.05 45 A 1 ATOM 376 O O . LYS A 0 45 . -14.061 3.911 18.713 1.00 85.05 45 A 1 ATOM 377 C CG . LYS A 0 45 . -10.738 3.576 18.996 1.00 85.05 45 A 1 ATOM 378 C CD . LYS A 0 45 . -9.271 3.914 19.246 1.00 85.05 45 A 1 ATOM 379 C CE . LYS A 0 45 . -9.219 4.478 20.661 1.00 85.05 45 A 1 ATOM 380 N NZ . LYS A 0 45 . -7.883 4.984 21.020 1.00 85.05 45 A 1 ATOM 381 N N . TYR A 0 46 . -13.513 5.071 16.864 1.00 76.15 46 A 1 ATOM 382 C CA . TYR A 0 46 . -14.457 6.168 17.108 1.00 76.15 46 A 1 ATOM 383 C C . TYR A 0 46 . -15.911 5.680 17.154 1.00 76.15 46 A 1 ATOM 384 C CB . TYR A 0 46 . -14.290 7.263 16.044 1.00 76.15 46 A 1 ATOM 385 O O . TYR A 0 46 . -16.649 6.057 18.056 1.00 76.15 46 A 1 ATOM 386 C CG . TYR A 0 46 . -13.079 8.152 16.252 1.00 76.15 46 A 1 ATOM 387 C CD1 . TYR A 0 46 . -13.015 8.970 17.395 1.00 76.15 46 A 1 ATOM 388 C CD2 . TYR A 0 46 . -12.028 8.177 15.315 1.00 76.15 46 A 1 ATOM 389 C CE1 . TYR A 0 46 . -11.898 9.795 17.614 1.00 76.15 46 A 1 ATOM 390 C CE2 . TYR A 0 46 . -10.895 8.983 15.539 1.00 76.15 46 A 1 ATOM 391 O OH . TYR A 0 46 . -9.749 10.586 16.912 1.00 76.15 46 A 1 ATOM 392 C CZ . TYR A 0 46 . -10.832 9.796 16.690 1.00 76.15 46 A 1 ATOM 393 N N . GLN A 0 47 . -16.313 4.786 16.244 1.00 76.30 47 A 1 ATOM 394 C CA . GLN A 0 47 . -17.662 4.210 16.269 1.00 76.30 47 A 1 ATOM 395 C C . GLN A 0 47 . -17.933 3.401 17.542 1.00 76.30 47 A 1 ATOM 396 C CB . GLN A 0 47 . -17.875 3.315 15.042 1.00 76.30 47 A 1 ATOM 397 O O . GLN A 0 47 . -19.032 3.463 18.084 1.00 76.30 47 A 1 ATOM 398 C CG . GLN A 0 47 . -18.066 4.137 13.764 1.00 76.30 47 A 1 ATOM 399 C CD . GLN A 0 47 . -18.299 3.272 12.530 1.00 76.30 47 A 1 ATOM 400 N NE2 . GLN A 0 47 . -18.685 3.871 11.425 1.00 76.30 47 A 1 ATOM 401 O OE1 . GLN A 0 47 . -18.154 2.060 12.507 1.00 76.30 47 A 1 ATOM 402 N N . ILE A 0 48 . -16.947 2.644 18.031 1.00 81.75 48 A 1 ATOM 403 C CA . ILE A 0 48 . -17.077 1.884 19.280 1.00 81.75 48 A 1 ATOM 404 C C . ILE A 0 48 . -17.180 2.829 20.482 1.00 81.75 48 A 1 ATOM 405 C CB . ILE A 0 48 . -15.913 0.878 19.423 1.00 81.75 48 A 1 ATOM 406 O O . ILE A 0 48 . -18.023 2.606 21.347 1.00 81.75 48 A 1 ATOM 407 C CG1 . ILE A 0 48 . -16.045 -0.242 18.365 1.00 81.75 48 A 1 ATOM 408 C CG2 . ILE A 0 48 . -15.878 0.254 20.832 1.00 81.75 48 A 1 ATOM 409 C CD1 . ILE A 0 48 . -14.769 -1.078 18.193 1.00 81.75 48 A 1 ATOM 410 N N . GLU A 0 49 . -16.356 3.878 20.536 1.00 79.87 49 A 1 ATOM 411 C CA . GLU A 0 49 . -16.412 4.886 21.603 1.00 79.87 49 A 1 ATOM 412 C C . GLU A 0 49 . -17.776 5.590 21.640 1.00 79.87 49 A 1 ATOM 413 C CB . GLU A 0 49 . -15.257 5.896 21.446 1.00 79.87 49 A 1 ATOM 414 O O . GLU A 0 49 . -18.357 5.724 22.717 1.00 79.87 49 A 1 ATOM 415 C CG . GLU A 0 49 . -13.902 5.292 21.864 1.00 79.87 49 A 1 ATOM 416 C CD . GLU A 0 49 . -12.686 6.222 21.668 1.00 79.87 49 A 1 ATOM 417 O OE1 . GLU A 0 49 . -11.552 5.760 21.967 1.00 79.87 49 A 1 ATOM 418 O OE2 . GLU A 0 49 . -12.839 7.375 21.209 1.00 79.87 49 A 1 ATOM 419 N N . ASP A 0 50 . -18.338 5.938 20.478 1.00 73.76 50 A 1 ATOM 420 C CA . ASP A 0 50 . -19.688 6.501 20.385 1.00 73.76 50 A 1 ATOM 421 C C . ASP A 0 50 . -20.749 5.514 20.897 1.00 73.76 50 A 1 ATOM 422 C CB . ASP A 0 50 . -20.002 6.902 18.932 1.00 73.76 50 A 1 ATOM 423 O O . ASP A 0 50 . -21.627 5.898 21.669 1.00 73.76 50 A 1 ATOM 424 C CG . ASP A 0 50 . -19.336 8.200 18.454 1.00 73.76 50 A 1 ATOM 425 O OD1 . ASP A 0 50 . -18.934 9.025 19.304 1.00 73.76 50 A 1 ATOM 426 O OD2 . ASP A 0 50 . -19.327 8.405 17.217 1.00 73.76 50 A 1 ATOM 427 N N . ILE A 0 51 . -20.671 4.232 20.517 1.00 76.65 51 A 1 ATOM 428 C CA . ILE A 0 51 . -21.617 3.205 20.985 1.00 76.65 51 A 1 ATOM 429 C C . ILE A 0 51 . -21.579 3.085 22.512 1.00 76.65 51 A 1 ATOM 430 C CB . ILE A 0 51 . -21.351 1.846 20.295 1.00 76.65 51 A 1 ATOM 431 O O . ILE A 0 51 . -22.638 3.073 23.136 1.00 76.65 51 A 1 ATOM 432 C CG1 . ILE A 0 51 . -21.753 1.914 18.804 1.00 76.65 51 A 1 ATOM 433 C CG2 . ILE A 0 51 . -22.131 0.699 20.973 1.00 76.65 51 A 1 ATOM 434 C CD1 . ILE A 0 51 . -21.156 0.781 17.956 1.00 76.65 51 A 1 ATOM 435 N N . ILE A 0 52 . -20.386 3.034 23.112 1.00 79.25 52 A 1 ATOM 436 C CA . ILE A 0 52 . -20.226 2.956 24.572 1.00 79.25 52 A 1 ATOM 437 C C . ILE A 0 52 . -20.814 4.206 25.236 1.00 79.25 52 A 1 ATOM 438 C CB . ILE A 0 52 . -18.739 2.754 24.943 1.00 79.25 52 A 1 ATOM 439 O O . ILE A 0 52 . -21.557 4.091 26.208 1.00 79.25 52 A 1 ATOM 440 C CG1 . ILE A 0 52 . -18.240 1.375 24.448 1.00 79.25 52 A 1 ATOM 441 C CG2 . ILE A 0 52 . -18.528 2.863 26.467 1.00 79.25 52 A 1 ATOM 442 C CD1 . ILE A 0 52 . -16.712 1.230 24.467 1.00 79.25 52 A 1 ATOM 443 N N . TYR A 0 53 . -20.542 5.393 24.686 1.00 82.05 53 A 1 ATOM 444 C CA . TYR A 0 53 . -21.071 6.649 25.214 1.00 82.05 53 A 1 ATOM 445 C C . TYR A 0 53 . -22.606 6.682 25.219 1.00 82.05 53 A 1 ATOM 446 C CB . TYR A 0 53 . -20.505 7.812 24.390 1.00 82.05 53 A 1 ATOM 447 O O . TYR A 0 53 . -23.220 7.060 26.219 1.00 82.05 53 A 1 ATOM 448 C CG . TYR A 0 53 . -21.060 9.158 24.804 1.00 82.05 53 A 1 ATOM 449 C CD1 . TYR A 0 53 . -22.042 9.796 24.021 1.00 82.05 53 A 1 ATOM 450 C CD2 . TYR A 0 53 . -20.620 9.746 26.004 1.00 82.05 53 A 1 ATOM 451 C CE1 . TYR A 0 53 . -22.570 11.036 24.430 1.00 82.05 53 A 1 ATOM 452 C CE2 . TYR A 0 53 . -21.154 10.977 26.424 1.00 82.05 53 A 1 ATOM 453 O OH . TYR A 0 53 . -22.655 12.805 26.055 1.00 82.05 53 A 1 ATOM 454 C CZ . TYR A 0 53 . -22.131 11.622 25.637 1.00 82.05 53 A 1 ATOM 455 N N . TYR A 0 54 . -23.246 6.265 24.122 1.00 77.97 54 A 1 ATOM 456 C CA . TYR A 0 54 . -24.707 6.216 24.055 1.00 77.97 54 A 1 ATOM 457 C C . TYR A 0 54 . -25.303 5.124 24.955 1.00 77.97 54 A 1 ATOM 458 C CB . TYR A 0 54 . -25.179 6.078 22.601 1.00 77.97 54 A 1 ATOM 459 O O . TYR A 0 54 . -26.378 5.339 25.515 1.00 77.97 54 A 1 ATOM 460 C CG . TYR A 0 54 . -25.016 7.348 21.781 1.00 77.97 54 A 1 ATOM 461 C CD1 . TYR A 0 54 . -25.777 8.493 22.092 1.00 77.97 54 A 1 ATOM 462 C CD2 . TYR A 0 54 . -24.104 7.391 20.711 1.00 77.97 54 A 1 ATOM 463 C CE1 . TYR A 0 54 . -25.604 9.680 21.351 1.00 77.97 54 A 1 ATOM 464 C CE2 . TYR A 0 54 . -23.895 8.582 19.995 1.00 77.97 54 A 1 ATOM 465 O OH . TYR A 0 54 . -24.451 10.877 19.616 1.00 77.97 54 A 1 ATOM 466 C CZ . TYR A 0 54 . -24.649 9.729 20.314 1.00 77.97 54 A 1 ATOM 467 N N . ASP A 0 55 . -24.615 3.995 25.140 1.00 82.19 55 A 1 ATOM 468 C CA . ASP A 0 55 . -25.043 2.922 26.047 1.00 82.19 55 A 1 ATOM 469 C C . ASP A 0 55 . -25.009 3.365 27.523 1.00 82.19 55 A 1 ATOM 470 C CB . ASP A 0 55 . -24.168 1.682 25.800 1.00 82.19 55 A 1 ATOM 471 O O . ASP A 0 55 . -25.967 3.145 28.272 1.00 82.19 55 A 1 ATOM 472 C CG . ASP A 0 55 . -24.750 0.412 26.426 1.00 82.19 55 A 1 ATOM 473 O OD1 . ASP A 0 55 . -25.972 0.193 26.255 1.00 82.19 55 A 1 ATOM 474 O OD2 . ASP A 0 55 . -23.964 -0.368 27.009 1.00 82.19 55 A 1 ATOM 475 N N . GLU A 0 56 . -23.961 4.092 27.932 1.00 79.24 56 A 1 ATOM 476 C CA . GLU A 0 56 . -23.880 4.715 29.261 1.00 79.24 56 A 1 ATOM 477 C C . GLU A 0 56 . -24.978 5.768 29.468 1.00 79.24 56 A 1 ATOM 478 C CB . GLU A 0 56 . -22.511 5.381 29.472 1.00 79.24 56 A 1 ATOM 479 O O . GLU A 0 56 . -25.605 5.826 30.530 1.00 79.24 56 A 1 ATOM 480 C CG . GLU A 0 56 . -21.379 4.378 29.744 1.00 79.24 56 A 1 ATOM 481 C CD . GLU A 0 56 . -20.043 5.060 30.101 1.00 79.24 56 A 1 ATOM 482 O OE1 . GLU A 0 56 . -19.108 4.322 30.493 1.00 79.24 56 A 1 ATOM 483 O OE2 . GLU A 0 56 . -19.954 6.309 30.029 1.00 79.24 56 A 1 ATOM 484 N N . LEU A 0 57 . -25.249 6.589 28.448 1.00 78.82 57 A 1 ATOM 485 C CA . LEU A 0 57 . -26.329 7.576 28.479 1.00 78.82 57 A 1 ATOM 486 C C . LEU A 0 57 . -27.689 6.908 28.699 1.00 78.82 57 A 1 ATOM 487 C CB . LEU A 0 57 . -26.309 8.405 27.180 1.00 78.82 57 A 1 ATOM 488 O O . LEU A 0 57 . -28.418 7.315 29.601 1.00 78.82 57 A 1 ATOM 489 C CG . LEU A 0 57 . -25.849 9.851 27.406 1.00 78.82 57 A 1 ATOM 490 C CD1 . LEU A 0 57 . -25.407 10.465 26.085 1.00 78.82 57 A 1 ATOM 491 C CD2 . LEU A 0 57 . -26.988 10.712 27.949 1.00 78.82 57 A 1 ATOM 492 N N . ILE A 0 58 . -28.020 5.873 27.920 1.00 76.00 58 A 1 ATOM 493 C CA . ILE A 0 58 . -29.282 5.130 28.059 1.00 76.00 58 A 1 ATOM 494 C C . ILE A 0 58 . -29.376 4.493 29.449 1.00 76.00 58 A 1 ATOM 495 C CB . ILE A 0 58 . -29.425 4.081 26.931 1.00 76.00 58 A 1 ATOM 496 O O . ILE A 0 58 . -30.407 4.624 30.107 1.00 76.00 58 A 1 ATOM 497 C CG1 . ILE A 0 58 . -29.628 4.794 25.573 1.00 76.00 58 A 1 ATOM 498 C CG2 . ILE A 0 58 . -30.609 3.127 27.196 1.00 76.00 58 A 1 ATOM 499 C CD1 . ILE A 0 58 . -29.447 3.873 24.359 1.00 76.00 58 A 1 ATOM 500 N N . SER A 0 59 . -28.299 3.864 29.922 1.00 75.13 59 A 1 ATOM 501 C CA . SER A 0 59 . -28.262 3.213 31.236 1.00 75.13 59 A 1 ATOM 502 C C . SER A 0 59 . -28.538 4.188 32.386 1.00 75.13 59 A 1 ATOM 503 C CB . SER A 0 59 . -26.908 2.531 31.438 1.00 75.13 59 A 1 ATOM 504 O O . SER A 0 59 . -29.279 3.852 33.307 1.00 75.13 59 A 1 ATOM 505 O OG . SER A 0 59 . -26.753 1.479 30.507 1.00 75.13 59 A 1 ATOM 506 N N . ASN A 0 60 . -28.020 5.417 32.307 1.00 75.10 60 A 1 ATOM 507 C CA . ASN A 0 60 . -28.270 6.461 33.306 1.00 75.10 60 A 1 ATOM 508 C C . ASN A 0 60 . -29.701 7.025 33.275 1.00 75.10 60 A 1 ATOM 509 C CB . ASN A 0 60 . -27.246 7.589 33.105 1.00 75.10 60 A 1 ATOM 510 O O . ASN A 0 60 . -30.152 7.550 34.286 1.00 75.10 60 A 1 ATOM 511 C CG . ASN A 0 60 . -25.854 7.224 33.589 1.00 75.10 60 A 1 ATOM 512 N ND2 . ASN A 0 60 . -24.831 7.761 32.969 1.00 75.10 60 A 1 ATOM 513 O OD1 . ASN A 0 60 . -25.655 6.492 34.543 1.00 75.10 60 A 1 ATOM 514 N N . TYR A 0 61 . -30.412 6.946 32.144 1.00 70.88 61 A 1 ATOM 515 C CA . TYR A 0 61 . -31.811 7.391 32.043 1.00 70.88 61 A 1 ATOM 516 C C . TYR A 0 61 . -32.827 6.339 32.510 1.00 70.88 61 A 1 ATOM 517 C CB . TYR A 0 61 . -32.122 7.817 30.597 1.00 70.88 61 A 1 ATOM 518 O O . TYR A 0 61 . -33.982 6.682 32.759 1.00 70.88 61 A 1 ATOM 519 C CG . TYR A 0 61 . -31.773 9.257 30.279 1.00 70.88 61 A 1 ATOM 520 C CD1 . TYR A 0 61 . -32.562 10.299 30.803 1.00 70.88 61 A 1 ATOM 521 C CD2 . TYR A 0 61 . -30.691 9.561 29.437 1.00 70.88 61 A 1 ATOM 522 C CE1 . TYR A 0 61 . -32.249 11.641 30.510 1.00 70.88 61 A 1 ATOM 523 C CE2 . TYR A 0 61 . -30.363 10.897 29.156 1.00 70.88 61 A 1 ATOM 524 O OH . TYR A 0 61 . -30.812 13.229 29.412 1.00 70.88 61 A 1 ATOM 525 C CZ . TYR A 0 61 . -31.137 11.940 29.697 1.00 70.88 61 A 1 ATOM 526 N N . VAL A 0 62 . -32.434 5.063 32.569 1.00 68.21 62 A 1 ATOM 527 C CA . VAL A 0 62 . -33.320 3.942 32.935 1.00 68.21 62 A 1 ATOM 528 C C . VAL A 0 62 . -33.350 3.684 34.455 1.00 68.21 62 A 1 ATOM 529 C CB . VAL A 0 62 . -32.949 2.698 32.092 1.00 68.21 62 A 1 ATOM 530 O O . VAL A 0 62 . -34.268 3.012 34.928 1.00 68.21 62 A 1 ATOM 531 C CG1 . VAL A 0 62 . -33.699 1.416 32.481 1.00 68.21 62 A 1 ATOM 532 C CG2 . VAL A 0 62 . -33.276 2.936 30.606 1.00 68.21 62 A 1 ATOM 533 N N . LEU A 0 63 . -32.399 4.235 35.220 1.00 53.08 63 A 1 ATOM 534 C CA . LEU A 0 63 . -32.350 4.205 36.694 1.00 53.08 63 A 1 ATOM 535 C C . LEU A 0 63 . -32.988 5.452 37.320 1.00 53.08 63 A 1 ATOM 536 C CB . LEU A 0 63 . -30.879 4.038 37.138 1.00 53.08 63 A 1 ATOM 537 O O . LEU A 0 63 . -33.629 5.289 38.384 1.00 53.08 63 A 1 ATOM 538 C CG . LEU A 0 63 . -30.300 2.630 36.949 1.00 53.08 63 A 1 ATOM 539 C CD1 . LEU A 0 63 . -28.785 2.675 37.137 1.00 53.08 63 A 1 ATOM 540 C CD2 . LEU A 0 63 . -30.875 1.651 37.977 1.00 53.08 63 A 1 ATOM 541 O OXT . LEU A 0 63 . -32.777 6.543 36.754 1.00 53.08 63 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 84.31 # loop_ _atom_type.symbol C N O S #