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 ASN 0 3 LEU 0 4 SER 0 5 CYS 0 6 LEU 0 7 LEU 0 8 LEU 0 9 VAL 0 10 ASN 0 11 LEU 0 12 PHE 0 13 HIS 0 14 LEU 0 15 LEU 0 16 LEU 0 17 PRO 0 18 VAL 0 19 SER 0 20 ILE 0 21 CYS 0 22 HIS 0 23 SER 0 24 ILE 0 25 ASP 0 26 LEU 0 27 THR 0 28 LYS 0 29 LEU 0 30 SER 0 31 LEU 0 32 SER 0 33 ARG 0 34 ARG 0 35 LEU 0 36 TYR 0 37 GLU 0 38 ILE 0 39 LYS 0 40 ASN 0 41 SER 0 42 LEU 0 43 MET 0 44 ASN 0 45 PHE 0 46 ASP 0 47 GLU 0 48 GLN 0 49 ILE 0 50 PHE 0 51 TYR 0 52 GLN 0 53 LYS 0 54 SER 0 55 GLN 0 56 PHE 0 57 VAL 0 58 LYS 0 59 VAL 0 60 LEU 0 61 SER 0 62 LYS 0 63 LEU 0 64 SER 0 65 THR # 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 . 27.557 0.942 -47.807 1.00 61.09 1 A 1 ATOM 2 C CA . MET A 0 1 . 26.576 1.239 -46.738 1.00 61.09 1 A 1 ATOM 3 C C . MET A 0 1 . 26.072 2.655 -46.949 1.00 61.09 1 A 1 ATOM 4 C CB . MET A 0 1 . 27.208 1.119 -45.340 1.00 61.09 1 A 1 ATOM 5 O O . MET A 0 1 . 26.896 3.558 -46.990 1.00 61.09 1 A 1 ATOM 6 C CG . MET A 0 1 . 27.395 -0.338 -44.906 1.00 61.09 1 A 1 ATOM 7 S SD . MET A 0 1 . 28.374 -0.534 -43.396 1.00 61.09 1 A 1 ATOM 8 C CE . MET A 0 1 . 27.188 -0.056 -42.108 1.00 61.09 1 A 1 ATOM 9 N N . ASN A 0 2 . 24.765 2.855 -47.142 1.00 76.93 2 A 1 ATOM 10 C CA . ASN A 0 2 . 24.212 4.203 -47.299 1.00 76.93 2 A 1 ATOM 11 C C . ASN A 0 2 . 24.358 4.969 -45.979 1.00 76.93 2 A 1 ATOM 12 C CB . ASN A 0 2 . 22.738 4.134 -47.767 1.00 76.93 2 A 1 ATOM 13 O O . ASN A 0 2 . 23.864 4.513 -44.949 1.00 76.93 2 A 1 ATOM 14 C CG . ASN A 0 2 . 22.574 4.217 -49.277 1.00 76.93 2 A 1 ATOM 15 N ND2 . ASN A 0 2 . 21.390 3.982 -49.790 1.00 76.93 2 A 1 ATOM 16 O OD1 . ASN A 0 2 . 23.502 4.503 -50.008 1.00 76.93 2 A 1 ATOM 17 N N . LEU A 0 3 . 25.010 6.133 -46.017 1.00 81.39 3 A 1 ATOM 18 C CA . LEU A 0 3 . 25.172 7.042 -44.875 1.00 81.39 3 A 1 ATOM 19 C C . LEU A 0 3 . 23.826 7.330 -44.184 1.00 81.39 3 A 1 ATOM 20 C CB . LEU A 0 3 . 25.799 8.338 -45.425 1.00 81.39 3 A 1 ATOM 21 O O . LEU A 0 3 . 23.739 7.380 -42.960 1.00 81.39 3 A 1 ATOM 22 C CG . LEU A 0 3 . 26.284 9.324 -44.348 1.00 81.39 3 A 1 ATOM 23 C CD1 . LEU A 0 3 . 27.597 8.853 -43.720 1.00 81.39 3 A 1 ATOM 24 C CD2 . LEU A 0 3 . 26.512 10.696 -44.978 1.00 81.39 3 A 1 ATOM 25 N N . SER A 0 4 . 22.755 7.417 -44.974 1.00 84.15 4 A 1 ATOM 26 C CA . SER A 0 4 . 21.379 7.583 -44.505 1.00 84.15 4 A 1 ATOM 27 C C . SER A 0 4 . 20.918 6.456 -43.575 1.00 84.15 4 A 1 ATOM 28 C CB . SER A 0 4 . 20.439 7.655 -45.715 1.00 84.15 4 A 1 ATOM 29 O O . SER A 0 4 . 20.243 6.728 -42.588 1.00 84.15 4 A 1 ATOM 30 O OG . SER A 0 4 . 20.979 8.506 -46.711 1.00 84.15 4 A 1 ATOM 31 N N . CYS A 0 5 . 21.306 5.201 -43.837 1.00 81.63 5 A 1 ATOM 32 C CA . CYS A 0 5 . 20.964 4.070 -42.969 1.00 81.63 5 A 1 ATOM 33 C C . CYS A 0 5 . 21.710 4.140 -41.630 1.00 81.63 5 A 1 ATOM 34 C CB . CYS A 0 5 . 21.264 2.743 -43.682 1.00 81.63 5 A 1 ATOM 35 O O . CYS A 0 5 . 21.111 3.877 -40.594 1.00 81.63 5 A 1 ATOM 36 S SG . CYS A 0 5 . 20.175 2.510 -45.116 1.00 81.63 5 A 1 ATOM 37 N N . LEU A 0 6 . 22.986 4.540 -41.637 1.00 83.21 6 A 1 ATOM 38 C CA . LEU A 0 6 . 23.776 4.745 -40.415 1.00 83.21 6 A 1 ATOM 39 C C . LEU A 0 6 . 23.188 5.859 -39.539 1.00 83.21 6 A 1 ATOM 40 C CB . LEU A 0 6 . 25.232 5.057 -40.811 1.00 83.21 6 A 1 ATOM 41 O O . LEU A 0 6 . 23.067 5.691 -38.328 1.00 83.21 6 A 1 ATOM 42 C CG . LEU A 0 6 . 26.108 3.794 -40.882 1.00 83.21 6 A 1 ATOM 43 C CD1 . LEU A 0 6 . 27.210 3.963 -41.928 1.00 83.21 6 A 1 ATOM 44 C CD2 . LEU A 0 6 . 26.756 3.512 -39.525 1.00 83.21 6 A 1 ATOM 45 N N . LEU A 0 7 . 22.768 6.970 -40.151 1.00 85.47 7 A 1 ATOM 46 C CA . LEU A 0 7 . 22.117 8.070 -39.437 1.00 85.47 7 A 1 ATOM 47 C C . LEU A 0 7 . 20.773 7.651 -38.833 1.00 85.47 7 A 1 ATOM 48 C CB . LEU A 0 7 . 21.949 9.268 -40.386 1.00 85.47 7 A 1 ATOM 49 O O . LEU A 0 7 . 20.513 7.965 -37.676 1.00 85.47 7 A 1 ATOM 50 C CG . LEU A 0 7 . 23.261 10.019 -40.675 1.00 85.47 7 A 1 ATOM 51 C CD1 . LEU A 0 7 . 23.046 10.997 -41.829 1.00 85.47 7 A 1 ATOM 52 C CD2 . LEU A 0 7 . 23.744 10.814 -39.458 1.00 85.47 7 A 1 ATOM 53 N N . LEU A 0 8 . 19.948 6.905 -39.575 1.00 84.93 8 A 1 ATOM 54 C CA . LEU A 0 8 . 18.664 6.390 -39.086 1.00 84.93 8 A 1 ATOM 55 C C . LEU A 0 8 . 18.831 5.432 -37.903 1.00 84.93 8 A 1 ATOM 56 C CB . LEU A 0 8 . 17.923 5.700 -40.248 1.00 84.93 8 A 1 ATOM 57 O O . LEU A 0 8 . 18.127 5.567 -36.905 1.00 84.93 8 A 1 ATOM 58 C CG . LEU A 0 8 . 16.793 6.577 -40.811 1.00 84.93 8 A 1 ATOM 59 C CD1 . LEU A 0 8 . 16.548 6.262 -42.285 1.00 84.93 8 A 1 ATOM 60 C CD2 . LEU A 0 8 . 15.497 6.335 -40.034 1.00 84.93 8 A 1 ATOM 61 N N . VAL A 0 9 . 19.780 4.498 -37.993 1.00 81.49 9 A 1 ATOM 62 C CA . VAL A 0 9 . 20.075 3.549 -36.911 1.00 81.49 9 A 1 ATOM 63 C C . VAL A 0 9 . 20.566 4.291 -35.668 1.00 81.49 9 A 1 ATOM 64 C CB . VAL A 0 9 . 21.075 2.485 -37.402 1.00 81.49 9 A 1 ATOM 65 O O . VAL A 0 9 . 20.061 4.049 -34.573 1.00 81.49 9 A 1 ATOM 66 C CG1 . VAL A 0 9 . 21.625 1.607 -36.278 1.00 81.49 9 A 1 ATOM 67 C CG2 . VAL A 0 9 . 20.396 1.549 -38.412 1.00 81.49 9 A 1 ATOM 68 N N . ASN A 0 10 . 21.466 5.265 -35.829 1.00 80.71 10 A 1 ATOM 69 C CA . ASN A 0 10 . 21.930 6.092 -34.714 1.00 80.71 10 A 1 ATOM 70 C C . ASN A 0 10 . 20.798 6.915 -34.087 1.00 80.71 10 A 1 ATOM 71 C CB . ASN A 0 10 . 23.078 6.993 -35.194 1.00 80.71 10 A 1 ATOM 72 O O . ASN A 0 10 . 20.706 6.984 -32.864 1.00 80.71 10 A 1 ATOM 73 C CG . ASN A 0 10 . 24.393 6.247 -35.332 1.00 80.71 10 A 1 ATOM 74 N ND2 . ASN A 0 10 . 25.384 6.865 -35.930 1.00 80.71 10 A 1 ATOM 75 O OD1 . ASN A 0 10 . 24.573 5.130 -34.881 1.00 80.71 10 A 1 ATOM 76 N N . LEU A 0 11 . 19.907 7.493 -34.898 1.00 84.43 11 A 1 ATOM 77 C CA . LEU A 0 11 . 18.747 8.232 -34.400 1.00 84.43 11 A 1 ATOM 78 C C . LEU A 0 11 . 17.818 7.313 -33.593 1.00 84.43 11 A 1 ATOM 79 C CB . LEU A 0 11 . 18.002 8.870 -35.585 1.00 84.43 11 A 1 ATOM 80 O O . LEU A 0 11 . 17.371 7.680 -32.509 1.00 84.43 11 A 1 ATOM 81 C CG . LEU A 0 11 . 17.199 10.116 -35.161 1.00 84.43 11 A 1 ATOM 82 C CD1 . LEU A 0 11 . 17.923 11.387 -35.613 1.00 84.43 11 A 1 ATOM 83 C CD2 . LEU A 0 11 . 15.802 10.111 -35.778 1.00 84.43 11 A 1 ATOM 84 N N . PHE A 0 12 . 17.580 6.093 -34.079 1.00 79.57 12 A 1 ATOM 85 C CA . PHE A 0 12 . 16.757 5.107 -33.384 1.00 79.57 12 A 1 ATOM 86 C C . PHE A 0 12 . 17.387 4.675 -32.051 1.00 79.57 12 A 1 ATOM 87 C CB . PHE A 0 12 . 16.502 3.917 -34.318 1.00 79.57 12 A 1 ATOM 88 O O . PHE A 0 12 . 16.694 4.615 -31.036 1.00 79.57 12 A 1 ATOM 89 C CG . PHE A 0 12 . 15.282 3.107 -33.932 1.00 79.57 12 A 1 ATOM 90 C CD1 . PHE A 0 12 . 15.415 1.871 -33.273 1.00 79.57 12 A 1 ATOM 91 C CD2 . PHE A 0 12 . 14.000 3.597 -34.244 1.00 79.57 12 A 1 ATOM 92 C CE1 . PHE A 0 12 . 14.267 1.133 -32.928 1.00 79.57 12 A 1 ATOM 93 C CE2 . PHE A 0 12 . 12.855 2.863 -33.890 1.00 79.57 12 A 1 ATOM 94 C CZ . PHE A 0 12 . 12.989 1.632 -33.227 1.00 79.57 12 A 1 ATOM 95 N N . HIS A 0 13 . 18.707 4.465 -32.017 1.00 78.89 13 A 1 ATOM 96 C CA . HIS A 0 13 . 19.445 4.168 -30.786 1.00 78.89 13 A 1 ATOM 97 C C . HIS A 0 13 . 19.467 5.327 -29.784 1.00 78.89 13 A 1 ATOM 98 C CB . HIS A 0 13 . 20.880 3.746 -31.120 1.00 78.89 13 A 1 ATOM 99 O O . HIS A 0 13 . 19.529 5.073 -28.587 1.00 78.89 13 A 1 ATOM 100 C CG . HIS A 0 13 . 20.968 2.341 -31.649 1.00 78.89 13 A 1 ATOM 101 C CD2 . HIS A 0 13 . 21.491 1.953 -32.848 1.00 78.89 13 A 1 ATOM 102 N ND1 . HIS A 0 13 . 20.578 1.199 -30.988 1.00 78.89 13 A 1 ATOM 103 C CE1 . HIS A 0 13 . 20.843 0.149 -31.783 1.00 78.89 13 A 1 ATOM 104 N NE2 . HIS A 0 13 . 21.396 0.560 -32.932 1.00 78.89 13 A 1 ATOM 105 N N . LEU A 0 14 . 19.390 6.579 -30.240 1.00 78.60 14 A 1 ATOM 106 C CA . LEU A 0 14 . 19.258 7.753 -29.371 1.00 78.60 14 A 1 ATOM 107 C C . LEU A 0 14 . 17.838 7.904 -28.807 1.00 78.60 14 A 1 ATOM 108 C CB . LEU A 0 14 . 19.691 9.000 -30.166 1.00 78.60 14 A 1 ATOM 109 O O . LEU A 0 14 . 17.672 8.282 -27.649 1.00 78.60 14 A 1 ATOM 110 C CG . LEU A 0 14 . 21.146 9.408 -29.863 1.00 78.60 14 A 1 ATOM 111 C CD1 . LEU A 0 14 . 21.883 9.846 -31.127 1.00 78.60 14 A 1 ATOM 112 C CD2 . LEU A 0 14 . 21.171 10.570 -28.867 1.00 78.60 14 A 1 ATOM 113 N N . LEU A 0 15 . 16.813 7.588 -29.600 1.00 76.96 15 A 1 ATOM 114 C CA . LEU A 0 15 . 15.410 7.732 -29.197 1.00 76.96 15 A 1 ATOM 115 C C . LEU A 0 15 . 14.920 6.588 -28.298 1.00 76.96 15 A 1 ATOM 116 C CB . LEU A 0 15 . 14.542 7.854 -30.460 1.00 76.96 15 A 1 ATOM 117 O O . LEU A 0 15 . 14.106 6.819 -27.402 1.00 76.96 15 A 1 ATOM 118 C CG . LEU A 0 15 . 14.743 9.165 -31.243 1.00 76.96 15 A 1 ATOM 119 C CD1 . LEU A 0 15 . 13.969 9.088 -32.559 1.00 76.96 15 A 1 ATOM 120 C CD2 . LEU A 0 15 . 14.256 10.390 -30.467 1.00 76.96 15 A 1 ATOM 121 N N . LEU A 0 16 . 15.429 5.369 -28.499 1.00 71.96 16 A 1 ATOM 122 C CA . LEU A 0 16 . 15.054 4.185 -27.720 1.00 71.96 16 A 1 ATOM 123 C C . LEU A 0 16 . 15.205 4.404 -26.201 1.00 71.96 16 A 1 ATOM 124 C CB . LEU A 0 16 . 15.858 2.968 -28.218 1.00 71.96 16 A 1 ATOM 125 O O . LEU A 0 16 . 14.202 4.268 -25.498 1.00 71.96 16 A 1 ATOM 126 C CG . LEU A 0 16 . 15.057 2.027 -29.128 1.00 71.96 16 A 1 ATOM 127 C CD1 . LEU A 0 16 . 16.034 1.207 -29.965 1.00 71.96 16 A 1 ATOM 128 C CD2 . LEU A 0 16 . 14.213 1.060 -28.295 1.00 71.96 16 A 1 ATOM 129 N N . PRO A 0 17 . 16.376 4.813 -25.671 1.00 71.76 17 A 1 ATOM 130 C CA . PRO A 0 17 . 16.558 5.045 -24.240 1.00 71.76 17 A 1 ATOM 131 C C . PRO A 0 17 . 15.625 6.124 -23.688 1.00 71.76 17 A 1 ATOM 132 C CB . PRO A 0 17 . 18.026 5.451 -24.061 1.00 71.76 17 A 1 ATOM 133 O O . PRO A 0 17 . 15.074 5.956 -22.604 1.00 71.76 17 A 1 ATOM 134 C CG . PRO A 0 17 . 18.720 4.863 -25.284 1.00 71.76 17 A 1 ATOM 135 C CD . PRO A 0 17 . 17.645 4.958 -26.357 1.00 71.76 17 A 1 ATOM 136 N N . VAL A 0 18 . 15.394 7.206 -24.441 1.00 69.18 18 A 1 ATOM 137 C CA . VAL A 0 18 . 14.505 8.299 -24.016 1.00 69.18 18 A 1 ATOM 138 C C . VAL A 0 18 . 13.063 7.808 -23.888 1.00 69.18 18 A 1 ATOM 139 C CB . VAL A 0 18 . 14.593 9.498 -24.981 1.00 69.18 18 A 1 ATOM 140 O O . VAL A 0 18 . 12.402 8.106 -22.889 1.00 69.18 18 A 1 ATOM 141 C CG1 . VAL A 0 18 . 13.671 10.645 -24.544 1.00 69.18 18 A 1 ATOM 142 C CG2 . VAL A 0 18 . 16.023 10.052 -25.038 1.00 69.18 18 A 1 ATOM 143 N N . SER A 0 19 . 12.595 7.013 -24.857 1.00 66.18 19 A 1 ATOM 144 C CA . SER A 0 19 . 11.253 6.422 -24.840 1.00 66.18 19 A 1 ATOM 145 C C . SER A 0 19 . 11.075 5.422 -23.694 1.00 66.18 19 A 1 ATOM 146 C CB . SER A 0 19 . 10.936 5.774 -26.194 1.00 66.18 19 A 1 ATOM 147 O O . SER A 0 19 . 10.067 5.462 -22.988 1.00 66.18 19 A 1 ATOM 148 O OG . SER A 0 19 . 11.631 4.559 -26.405 1.00 66.18 19 A 1 ATOM 149 N N . ILE A 0 20 . 12.086 4.580 -23.448 1.00 63.73 20 A 1 ATOM 150 C CA . ILE A 0 20 . 12.065 3.586 -22.374 1.00 63.73 20 A 1 ATOM 151 C C . ILE A 0 20 . 12.051 4.295 -21.018 1.00 63.73 20 A 1 ATOM 152 C CB . ILE A 0 20 . 13.228 2.582 -22.530 1.00 63.73 20 A 1 ATOM 153 O O . ILE A 0 20 . 11.193 3.985 -20.194 1.00 63.73 20 A 1 ATOM 154 C CG1 . ILE A 0 20 . 13.019 1.721 -23.799 1.00 63.73 20 A 1 ATOM 155 C CG2 . ILE A 0 20 . 13.330 1.668 -21.294 1.00 63.73 20 A 1 ATOM 156 C CD1 . ILE A 0 20 . 14.271 0.947 -24.230 1.00 63.73 20 A 1 ATOM 157 N N . CYS A 0 21 . 12.902 5.304 -20.804 1.00 64.02 21 A 1 ATOM 158 C CA . CYS A 0 21 . 12.906 6.091 -19.569 1.00 64.02 21 A 1 ATOM 159 C C . CYS A 0 21 . 11.546 6.752 -19.293 1.00 64.02 21 A 1 ATOM 160 C CB . CYS A 0 21 . 14.029 7.135 -19.636 1.00 64.02 21 A 1 ATOM 161 O O . CYS A 0 21 . 11.038 6.636 -18.180 1.00 64.02 21 A 1 ATOM 162 S SG . CYS A 0 21 . 15.633 6.322 -19.375 1.00 64.02 21 A 1 ATOM 163 N N . HIS A 0 22 . 10.915 7.364 -20.302 1.00 61.79 22 A 1 ATOM 164 C CA . HIS A 0 22 . 9.591 7.979 -20.140 1.00 61.79 22 A 1 ATOM 165 C C . HIS A 0 22 . 8.493 6.943 -19.866 1.00 61.79 22 A 1 ATOM 166 C CB . HIS A 0 22 . 9.245 8.819 -21.378 1.00 61.79 22 A 1 ATOM 167 O O . HIS A 0 22 . 7.627 7.166 -19.023 1.00 61.79 22 A 1 ATOM 168 C CG . HIS A 0 22 . 9.889 10.179 -21.355 1.00 61.79 22 A 1 ATOM 169 C CD2 . HIS A 0 22 . 9.271 11.373 -21.099 1.00 61.79 22 A 1 ATOM 170 N ND1 . HIS A 0 22 . 11.223 10.443 -21.549 1.00 61.79 22 A 1 ATOM 171 C CE1 . HIS A 0 22 . 11.409 11.766 -21.400 1.00 61.79 22 A 1 ATOM 172 N NE2 . HIS A 0 22 . 10.244 12.376 -21.140 1.00 61.79 22 A 1 ATOM 173 N N . SER A 0 23 . 8.529 5.783 -20.531 1.00 62.14 23 A 1 ATOM 174 C CA . SER A 0 23 . 7.556 4.711 -20.286 1.00 62.14 23 A 1 ATOM 175 C C . SER A 0 23 . 7.661 4.132 -18.868 1.00 62.14 23 A 1 ATOM 176 C CB . SER A 0 23 . 7.698 3.616 -21.349 1.00 62.14 23 A 1 ATOM 177 O O . SER A 0 23 . 6.643 3.880 -18.216 1.00 62.14 23 A 1 ATOM 178 O OG . SER A 0 23 . 8.877 2.851 -21.190 1.00 62.14 23 A 1 ATOM 179 N N . ILE A 0 24 . 8.884 3.983 -18.348 1.00 64.27 24 A 1 ATOM 180 C CA . ILE A 0 24 . 9.132 3.521 -16.979 1.00 64.27 24 A 1 ATOM 181 C C . ILE A 0 24 . 8.628 4.557 -15.971 1.00 64.27 24 A 1 ATOM 182 C CB . ILE A 0 24 . 10.627 3.187 -16.783 1.00 64.27 24 A 1 ATOM 183 O O . ILE A 0 24 . 8.050 4.188 -14.950 1.00 64.27 24 A 1 ATOM 184 C CG1 . ILE A 0 24 . 11.000 1.944 -17.625 1.00 64.27 24 A 1 ATOM 185 C CG2 . ILE A 0 24 . 10.944 2.922 -15.296 1.00 64.27 24 A 1 ATOM 186 C CD1 . ILE A 0 24 . 12.510 1.700 -17.728 1.00 64.27 24 A 1 ATOM 187 N N . ASP A 0 25 . 8.800 5.847 -16.251 1.00 73.08 25 A 1 ATOM 188 C CA . ASP A 0 25 . 8.337 6.903 -15.351 1.00 73.08 25 A 1 ATOM 189 C C . ASP A 0 25 . 6.801 6.988 -15.309 1.00 73.08 25 A 1 ATOM 190 C CB . ASP A 0 25 . 8.999 8.228 -15.757 1.00 73.08 25 A 1 ATOM 191 O O . ASP A 0 25 . 6.197 7.012 -14.237 1.00 73.08 25 A 1 ATOM 192 C CG . ASP A 0 25 . 9.122 9.215 -14.594 1.00 73.08 25 A 1 ATOM 193 O OD1 . ASP A 0 25 . 9.017 8.772 -13.426 1.00 73.08 25 A 1 ATOM 194 O OD2 . ASP A 0 25 . 9.387 10.398 -14.889 1.00 73.08 25 A 1 ATOM 195 N N . LEU A 0 26 . 6.136 6.882 -16.467 1.00 70.13 26 A 1 ATOM 196 C CA . LEU A 0 26 . 4.671 6.845 -16.545 1.00 70.13 26 A 1 ATOM 197 C C . LEU A 0 26 . 4.075 5.615 -15.853 1.00 70.13 26 A 1 ATOM 198 C CB . LEU A 0 26 . 4.231 6.886 -18.018 1.00 70.13 26 A 1 ATOM 199 O O . LEU A 0 26 . 3.067 5.724 -15.151 1.00 70.13 26 A 1 ATOM 200 C CG . LEU A 0 26 . 4.450 8.241 -18.710 1.00 70.13 26 A 1 ATOM 201 C CD1 . LEU A 0 26 . 4.091 8.103 -20.191 1.00 70.13 26 A 1 ATOM 202 C CD2 . LEU A 0 26 . 3.583 9.348 -18.105 1.00 70.13 26 A 1 ATOM 203 N N . THR A 0 27 . 4.694 4.443 -16.012 1.00 74.75 27 A 1 ATOM 204 C CA . THR A 0 27 . 4.238 3.227 -15.321 1.00 74.75 27 A 1 ATOM 205 C C . THR A 0 27 . 4.429 3.344 -13.811 1.00 74.75 27 A 1 ATOM 206 C CB . THR A 0 27 . 4.892 1.945 -15.850 1.00 74.75 27 A 1 ATOM 207 O O . THR A 0 27 . 3.484 3.057 -13.074 1.00 74.75 27 A 1 ATOM 208 C CG2 . THR A 0 27 . 4.370 1.563 -17.232 1.00 74.75 27 A 1 ATOM 209 O OG1 . THR A 0 27 . 6.281 2.083 -15.950 1.00 74.75 27 A 1 ATOM 210 N N . LYS A 0 28 . 5.572 3.861 -13.338 1.00 75.88 28 A 1 ATOM 211 C CA . LYS A 0 28 . 5.801 4.160 -11.913 1.00 75.88 28 A 1 ATOM 212 C C . LYS A 0 28 . 4.795 5.167 -11.357 1.00 75.88 28 A 1 ATOM 213 C CB . LYS A 0 28 . 7.227 4.686 -11.703 1.00 75.88 28 A 1 ATOM 214 O O . LYS A 0 28 . 4.253 4.925 -10.282 1.00 75.88 28 A 1 ATOM 215 C CG . LYS A 0 28 . 8.273 3.566 -11.738 1.00 75.88 28 A 1 ATOM 216 C CD . LYS A 0 28 . 9.667 4.180 -11.578 1.00 75.88 28 A 1 ATOM 217 C CE . LYS A 0 28 . 10.745 3.097 -11.629 1.00 75.88 28 A 1 ATOM 218 N NZ . LYS A 0 28 . 12.093 3.698 -11.480 1.00 75.88 28 A 1 ATOM 219 N N . LEU A 0 29 . 4.501 6.244 -12.088 1.00 76.95 29 A 1 ATOM 220 C CA . LEU A 0 29 . 3.519 7.256 -11.693 1.00 76.95 29 A 1 ATOM 221 C C . LEU A 0 29 . 2.095 6.680 -11.635 1.00 76.95 29 A 1 ATOM 222 C CB . LEU A 0 29 . 3.606 8.428 -12.688 1.00 76.95 29 A 1 ATOM 223 O O . LEU A 0 29 . 1.334 6.956 -10.710 1.00 76.95 29 A 1 ATOM 224 C CG . LEU A 0 29 . 2.749 9.644 -12.292 1.00 76.95 29 A 1 ATOM 225 C CD1 . LEU A 0 29 . 3.346 10.388 -11.096 1.00 76.95 29 A 1 ATOM 226 C CD2 . LEU A 0 29 . 2.644 10.614 -13.466 1.00 76.95 29 A 1 ATOM 227 N N . SER A 0 30 . 1.728 5.842 -12.607 1.00 80.59 30 A 1 ATOM 228 C CA . SER A 0 30 . 0.423 5.173 -12.606 1.00 80.59 30 A 1 ATOM 229 C C . SER A 0 30 . 0.283 4.202 -11.429 1.00 80.59 30 A 1 ATOM 230 C CB . SER A 0 30 . 0.183 4.464 -13.944 1.00 80.59 30 A 1 ATOM 231 O O . SER A 0 30 . -0.772 4.133 -10.796 1.00 80.59 30 A 1 ATOM 232 O OG . SER A 0 30 . 0.885 3.240 -14.051 1.00 80.59 30 A 1 ATOM 233 N N . LEU A 0 31 . 1.361 3.486 -11.099 1.00 82.52 31 A 1 ATOM 234 C CA . LEU A 0 31 . 1.391 2.521 -10.011 1.00 82.52 31 A 1 ATOM 235 C C . LEU A 0 31 . 1.369 3.223 -8.650 1.00 82.52 31 A 1 ATOM 236 C CB . LEU A 0 31 . 2.605 1.602 -10.226 1.00 82.52 31 A 1 ATOM 237 O O . LEU A 0 31 . 0.618 2.803 -7.774 1.00 82.52 31 A 1 ATOM 238 C CG . LEU A 0 31 . 2.624 0.385 -9.282 1.00 82.52 31 A 1 ATOM 239 C CD1 . LEU A 0 31 . 3.059 -0.872 -10.037 1.00 82.52 31 A 1 ATOM 240 C CD2 . LEU A 0 31 . 3.594 0.597 -8.121 1.00 82.52 31 A 1 ATOM 241 N N . SER A 0 32 . 2.106 4.324 -8.484 1.00 83.95 32 A 1 ATOM 242 C CA . SER A 0 32 . 2.075 5.125 -7.255 1.00 83.95 32 A 1 ATOM 243 C C . SER A 0 32 . 0.696 5.738 -7.010 1.00 83.95 32 A 1 ATOM 244 C CB . SER A 0 32 . 3.161 6.205 -7.281 1.00 83.95 32 A 1 ATOM 245 O O . SER A 0 32 . 0.193 5.672 -5.888 1.00 83.95 32 A 1 ATOM 246 O OG . SER A 0 32 . 2.904 7.175 -8.271 1.00 83.95 32 A 1 ATOM 247 N N . ARG A 0 33 . 0.032 6.239 -8.061 1.00 85.93 33 A 1 ATOM 248 C CA . ARG A 0 33 . -1.350 6.725 -7.977 1.00 85.93 33 A 1 ATOM 249 C C . ARG A 0 33 . -2.320 5.620 -7.553 1.00 85.93 33 A 1 ATOM 250 C CB . ARG A 0 33 . -1.749 7.363 -9.312 1.00 85.93 33 A 1 ATOM 251 O O . ARG A 0 33 . -3.097 5.829 -6.627 1.00 85.93 33 A 1 ATOM 252 C CG . ARG A 0 33 . -3.171 7.929 -9.232 1.00 85.93 33 A 1 ATOM 253 C CD . ARG A 0 33 . -3.560 8.590 -10.547 1.00 85.93 33 A 1 ATOM 254 N NE . ARG A 0 33 . -4.973 8.984 -10.504 1.00 85.93 33 A 1 ATOM 255 N NH1 . ARG A 0 33 . -4.973 10.316 -12.377 1.00 85.93 33 A 1 ATOM 256 N NH2 . ARG A 0 33 . -6.823 10.116 -11.131 1.00 85.93 33 A 1 ATOM 257 C CZ . ARG A 0 33 . -5.579 9.805 -11.337 1.00 85.93 33 A 1 ATOM 258 N N . ARG A 0 34 . -2.244 4.436 -8.171 1.00 88.23 34 A 1 ATOM 259 C CA . ARG A 0 34 . -3.085 3.286 -7.787 1.00 88.23 34 A 1 ATOM 260 C C . ARG A 0 34 . -2.844 2.852 -6.342 1.00 88.23 34 A 1 ATOM 261 C CB . ARG A 0 34 . -2.850 2.106 -8.735 1.00 88.23 34 A 1 ATOM 262 O O . ARG A 0 34 . -3.799 2.591 -5.621 1.00 88.23 34 A 1 ATOM 263 C CG . ARG A 0 34 . -3.548 2.305 -10.084 1.00 88.23 34 A 1 ATOM 264 C CD . ARG A 0 34 . -3.320 1.068 -10.956 1.00 88.23 34 A 1 ATOM 265 N NE . ARG A 0 34 . -4.059 1.160 -12.227 1.00 88.23 34 A 1 ATOM 266 N NH1 . ARG A 0 34 . -3.940 -1.060 -12.808 1.00 88.23 34 A 1 ATOM 267 N NH2 . ARG A 0 34 . -4.989 0.379 -14.153 1.00 88.23 34 A 1 ATOM 268 C CZ . ARG A 0 34 . -4.324 0.163 -13.053 1.00 88.23 34 A 1 ATOM 269 N N . LEU A 0 35 . -1.587 2.804 -5.897 1.00 89.63 35 A 1 ATOM 270 C CA . LEU A 0 35 . -1.254 2.484 -4.505 1.00 89.63 35 A 1 ATOM 271 C C . LEU A 0 35 . -1.818 3.523 -3.528 1.00 89.63 35 A 1 ATOM 272 C CB . LEU A 0 35 . 0.271 2.376 -4.339 1.00 89.63 35 A 1 ATOM 273 O O . LEU A 0 35 . -2.303 3.153 -2.461 1.00 89.63 35 A 1 ATOM 274 C CG . LEU A 0 35 . 0.906 1.108 -4.935 1.00 89.63 35 A 1 ATOM 275 C CD1 . LEU A 0 35 . 2.423 1.200 -4.767 1.00 89.63 35 A 1 ATOM 276 C CD2 . LEU A 0 35 . 0.427 -0.169 -4.242 1.00 89.63 35 A 1 ATOM 277 N N . TYR A 0 36 . -1.794 4.805 -3.895 1.00 88.46 36 A 1 ATOM 278 C CA . TYR A 0 36 . -2.398 5.872 -3.101 1.00 88.46 36 A 1 ATOM 279 C C . TYR A 0 36 . -3.926 5.727 -3.007 1.00 88.46 36 A 1 ATOM 280 C CB . TYR A 0 36 . -1.977 7.222 -3.689 1.00 88.46 36 A 1 ATOM 281 O O . TYR A 0 36 . -4.484 5.805 -1.914 1.00 88.46 36 A 1 ATOM 282 C CG . TYR A 0 36 . -2.516 8.401 -2.914 1.00 88.46 36 A 1 ATOM 283 C CD1 . TYR A 0 36 . -3.669 9.069 -3.367 1.00 88.46 36 A 1 ATOM 284 C CD2 . TYR A 0 36 . -1.884 8.803 -1.722 1.00 88.46 36 A 1 ATOM 285 C CE1 . TYR A 0 36 . -4.190 10.144 -2.625 1.00 88.46 36 A 1 ATOM 286 C CE2 . TYR A 0 36 . -2.417 9.863 -0.964 1.00 88.46 36 A 1 ATOM 287 O OH . TYR A 0 36 . -4.143 11.514 -0.674 1.00 88.46 36 A 1 ATOM 288 C CZ . TYR A 0 36 . -3.579 10.527 -1.415 1.00 88.46 36 A 1 ATOM 289 N N . GLU A 0 37 . -4.602 5.431 -4.120 1.00 90.96 37 A 1 ATOM 290 C CA . GLU A 0 37 . -6.050 5.172 -4.153 1.00 90.96 37 A 1 ATOM 291 C C . GLU A 0 37 . -6.436 3.944 -3.304 1.00 90.96 37 A 1 ATOM 292 C CB . GLU A 0 37 . -6.508 5.008 -5.617 1.00 90.96 37 A 1 ATOM 293 O O . GLU A 0 37 . -7.402 3.997 -2.536 1.00 90.96 37 A 1 ATOM 294 C CG . GLU A 0 37 . -6.498 6.339 -6.403 1.00 90.96 37 A 1 ATOM 295 C CD . GLU A 0 37 . -6.693 6.191 -7.929 1.00 90.96 37 A 1 ATOM 296 O OE1 . GLU A 0 37 . -6.566 7.226 -8.644 1.00 90.96 37 A 1 ATOM 297 O OE2 . GLU A 0 37 . -6.912 5.053 -8.402 1.00 90.96 37 A 1 ATOM 298 N N . ILE A 0 38 . -5.647 2.863 -3.364 1.00 90.92 38 A 1 ATOM 299 C CA . ILE A 0 38 . -5.829 1.669 -2.519 1.00 90.92 38 A 1 ATOM 300 C C . ILE A 0 38 . -5.634 2.018 -1.041 1.00 90.92 38 A 1 ATOM 301 C CB . ILE A 0 38 . -4.878 0.531 -2.960 1.00 90.92 38 A 1 ATOM 302 O O . ILE A 0 38 . -6.461 1.643 -0.212 1.00 90.92 38 A 1 ATOM 303 C CG1 . ILE A 0 38 . -5.304 -0.018 -4.341 1.00 90.92 38 A 1 ATOM 304 C CG2 . ILE A 0 38 . -4.857 -0.621 -1.932 1.00 90.92 38 A 1 ATOM 305 C CD1 . ILE A 0 38 . -4.234 -0.888 -5.015 1.00 90.92 38 A 1 ATOM 306 N N . LYS A 0 39 . -4.575 2.761 -0.699 1.00 90.06 39 A 1 ATOM 307 C CA . LYS A 0 39 . -4.303 3.190 0.680 1.00 90.06 39 A 1 ATOM 308 C C . LYS A 0 39 . -5.451 4.028 1.247 1.00 90.06 39 A 1 ATOM 309 C CB . LYS A 0 39 . -2.968 3.946 0.720 1.00 90.06 39 A 1 ATOM 310 O O . LYS A 0 39 . -5.883 3.770 2.366 1.00 90.06 39 A 1 ATOM 311 C CG . LYS A 0 39 . -2.631 4.424 2.139 1.00 90.06 39 A 1 ATOM 312 C CD . LYS A 0 39 . -1.305 5.186 2.163 1.00 90.06 39 A 1 ATOM 313 C CE . LYS A 0 39 . -1.099 5.744 3.573 1.00 90.06 39 A 1 ATOM 314 N NZ . LYS A 0 39 . 0.146 6.542 3.675 1.00 90.06 39 A 1 ATOM 315 N N . ASN A 0 40 . -5.965 4.986 0.478 1.00 89.67 40 A 1 ATOM 316 C CA . ASN A 0 40 . -7.106 5.800 0.899 1.00 89.67 40 A 1 ATOM 317 C C . ASN A 0 40 . -8.372 4.950 1.071 1.00 89.67 40 A 1 ATOM 318 C CB . ASN A 0 40 . -7.335 6.921 -0.125 1.00 89.67 40 A 1 ATOM 319 O O . ASN A 0 40 . -9.119 5.142 2.025 1.00 89.67 40 A 1 ATOM 320 C CG . ASN A 0 40 . -6.329 8.054 -0.026 1.00 89.67 40 A 1 ATOM 321 N ND2 . ASN A 0 40 . -6.482 9.052 -0.862 1.00 89.67 40 A 1 ATOM 322 O OD1 . ASN A 0 40 . -5.422 8.083 0.791 1.00 89.67 40 A 1 ATOM 323 N N . SER A 0 41 . -8.592 3.975 0.185 1.00 90.87 41 A 1 ATOM 324 C CA . SER A 0 41 . -9.719 3.046 0.307 1.00 90.87 41 A 1 ATOM 325 C C . SER A 0 41 . -9.622 2.204 1.583 1.00 90.87 41 A 1 ATOM 326 C CB . SER A 0 41 . -9.811 2.134 -0.919 1.00 90.87 41 A 1 ATOM 327 O O . SER A 0 41 . -10.617 2.050 2.283 1.00 90.87 41 A 1 ATOM 328 O OG . SER A 0 41 . -9.942 2.900 -2.102 1.00 90.87 41 A 1 ATOM 329 N N . LEU A 0 42 . -8.426 1.711 1.923 1.00 90.10 42 A 1 ATOM 330 C CA . LEU A 0 42 . -8.176 0.965 3.161 1.00 90.10 42 A 1 ATOM 331 C C . LEU A 0 42 . -8.431 1.816 4.412 1.00 90.10 42 A 1 ATOM 332 C CB . LEU A 0 42 . -6.737 0.415 3.153 1.00 90.10 42 A 1 ATOM 333 O O . LEU A 0 42 . -9.113 1.352 5.319 1.00 90.10 42 A 1 ATOM 334 C CG . LEU A 0 42 . -6.529 -0.785 2.213 1.00 90.10 42 A 1 ATOM 335 C CD1 . LEU A 0 42 . -5.032 -1.052 2.041 1.00 90.10 42 A 1 ATOM 336 C CD2 . LEU A 0 42 . -7.182 -2.056 2.759 1.00 90.10 42 A 1 ATOM 337 N N . MET A 0 43 . -7.972 3.072 4.433 1.00 87.96 43 A 1 ATOM 338 C CA . MET A 0 43 . -8.244 3.992 5.547 1.00 87.96 43 A 1 ATOM 339 C C . MET A 0 43 . -9.749 4.217 5.755 1.00 87.96 43 A 1 ATOM 340 C CB . MET A 0 43 . -7.534 5.333 5.307 1.00 87.96 43 A 1 ATOM 341 O O . MET A 0 43 . -10.228 4.177 6.886 1.00 87.96 43 A 1 ATOM 342 C CG . MET A 0 43 . -6.024 5.212 5.525 1.00 87.96 43 A 1 ATOM 343 S SD . MET A 0 43 . -5.098 6.742 5.211 1.00 87.96 43 A 1 ATOM 344 C CE . MET A 0 43 . -3.546 6.297 6.018 1.00 87.96 43 A 1 ATOM 345 N N . ASN A 0 44 . -10.515 4.367 4.670 1.00 88.22 44 A 1 ATOM 346 C CA . ASN A 0 44 . -11.971 4.492 4.756 1.00 88.22 44 A 1 ATOM 347 C C . ASN A 0 44 . -12.634 3.219 5.312 1.00 88.22 44 A 1 ATOM 348 C CB . ASN A 0 44 . -12.533 4.821 3.364 1.00 88.22 44 A 1 ATOM 349 O O . ASN A 0 44 . -13.612 3.309 6.055 1.00 88.22 44 A 1 ATOM 350 C CG . ASN A 0 44 . -12.190 6.213 2.867 1.00 88.22 44 A 1 ATOM 351 N ND2 . ASN A 0 44 . -12.436 6.482 1.606 1.00 88.22 44 A 1 ATOM 352 O OD1 . ASN A 0 44 . -11.735 7.091 3.572 1.00 88.22 44 A 1 ATOM 353 N N . PHE A 0 45 . -12.123 2.031 4.970 1.00 89.11 45 A 1 ATOM 354 C CA . PHE A 0 45 . -12.617 0.777 5.546 1.00 89.11 45 A 1 ATOM 355 C C . PHE A 0 45 . -12.320 0.677 7.043 1.00 89.11 45 A 1 ATOM 356 C CB . PHE A 0 45 . -12.046 -0.438 4.801 1.00 89.11 45 A 1 ATOM 357 O O . PHE A 0 45 . -13.202 0.266 7.797 1.00 89.11 45 A 1 ATOM 358 C CG . PHE A 0 45 . -12.752 -0.755 3.498 1.00 89.11 45 A 1 ATOM 359 C CD1 . PHE A 0 45 . -14.106 -1.140 3.515 1.00 89.11 45 A 1 ATOM 360 C CD2 . PHE A 0 45 . -12.061 -0.696 2.274 1.00 89.11 45 A 1 ATOM 361 C CE1 . PHE A 0 45 . -14.768 -1.447 2.314 1.00 89.11 45 A 1 ATOM 362 C CE2 . PHE A 0 45 . -12.725 -0.992 1.071 1.00 89.11 45 A 1 ATOM 363 C CZ . PHE A 0 45 . -14.079 -1.370 1.091 1.00 89.11 45 A 1 ATOM 364 N N . ASP A 0 46 . -11.135 1.096 7.489 1.00 88.43 46 A 1 ATOM 365 C CA . ASP A 0 46 . -10.782 1.106 8.913 1.00 88.43 46 A 1 ATOM 366 C C . ASP A 0 46 . -11.730 2.007 9.723 1.00 88.43 46 A 1 ATOM 367 C CB . ASP A 0 46 . -9.319 1.546 9.101 1.00 88.43 46 A 1 ATOM 368 O O . ASP A 0 46 . -12.222 1.599 10.780 1.00 88.43 46 A 1 ATOM 369 C CG . ASP A 0 46 . -8.284 0.484 8.705 1.00 88.43 46 A 1 ATOM 370 O OD1 . ASP A 0 46 . -8.636 -0.719 8.700 1.00 88.43 46 A 1 ATOM 371 O OD2 . ASP A 0 46 . -7.117 0.881 8.480 1.00 88.43 46 A 1 ATOM 372 N N . GLU A 0 47 . -12.069 3.193 9.204 1.00 88.12 47 A 1 ATOM 373 C CA . GLU A 0 47 . -13.054 4.088 9.828 1.00 88.12 47 A 1 ATOM 374 C C . GLU A 0 47 . -14.451 3.453 9.907 1.00 88.12 47 A 1 ATOM 375 C CB . GLU A 0 47 . -13.143 5.415 9.061 1.00 88.12 47 A 1 ATOM 376 O O . GLU A 0 47 . -15.112 3.517 10.951 1.00 88.12 47 A 1 ATOM 377 C CG . GLU A 0 47 . -11.906 6.304 9.257 1.00 88.12 47 A 1 ATOM 378 C CD . GLU A 0 47 . -12.049 7.687 8.596 1.00 88.12 47 A 1 ATOM 379 O OE1 . GLU A 0 47 . -11.116 8.502 8.779 1.00 88.12 47 A 1 ATOM 380 O OE2 . GLU A 0 47 . -13.101 7.946 7.964 1.00 88.12 47 A 1 ATOM 381 N N . GLN A 0 48 . -14.896 2.786 8.837 1.00 90.64 48 A 1 ATOM 382 C CA . GLN A 0 48 . -16.183 2.085 8.818 1.00 90.64 48 A 1 ATOM 383 C C . GLN A 0 48 . -16.219 0.927 9.819 1.00 90.64 48 A 1 ATOM 384 C CB . GLN A 0 48 . -16.491 1.561 7.410 1.00 90.64 48 A 1 ATOM 385 O O . GLN A 0 48 . -17.201 0.785 10.553 1.00 90.64 48 A 1 ATOM 386 C CG . GLN A 0 48 . -16.873 2.686 6.441 1.00 90.64 48 A 1 ATOM 387 C CD . GLN A 0 48 . -17.125 2.170 5.029 1.00 90.64 48 A 1 ATOM 388 N NE2 . GLN A 0 48 . -17.073 3.029 4.037 1.00 90.64 48 A 1 ATOM 389 O OE1 . GLN A 0 48 . -17.407 1.007 4.785 1.00 90.64 48 A 1 ATOM 390 N N . ILE A 0 49 . -15.154 0.125 9.895 1.00 91.57 49 A 1 ATOM 391 C CA . ILE A 0 49 . -15.039 -0.983 10.851 1.00 91.57 49 A 1 ATOM 392 C C . ILE A 0 49 . -15.042 -0.445 12.283 1.00 91.57 49 A 1 ATOM 393 C CB . ILE A 0 49 . -13.778 -1.829 10.555 1.00 91.57 49 A 1 ATOM 394 O O . ILE A 0 49 . -15.747 -0.983 13.139 1.00 91.57 49 A 1 ATOM 395 C CG1 . ILE A 0 49 . -13.969 -2.614 9.237 1.00 91.57 49 A 1 ATOM 396 C CG2 . ILE A 0 49 . -13.480 -2.808 11.711 1.00 91.57 49 A 1 ATOM 397 C CD1 . ILE A 0 49 . -12.685 -3.273 8.718 1.00 91.57 49 A 1 ATOM 398 N N . PHE A 0 50 . -14.305 0.635 12.557 1.00 92.77 50 A 1 ATOM 399 C CA . PHE A 0 50 . -14.295 1.269 13.873 1.00 92.77 50 A 1 ATOM 400 C C . PHE A 0 50 . -15.691 1.765 14.274 1.00 92.77 50 A 1 ATOM 401 C CB . PHE A 0 50 . -13.275 2.412 13.884 1.00 92.77 50 A 1 ATOM 402 O O . PHE A 0 50 . -16.156 1.488 15.386 1.00 92.77 50 A 1 ATOM 403 C CG . PHE A 0 50 . -13.190 3.102 15.230 1.00 92.77 50 A 1 ATOM 404 C CD1 . PHE A 0 50 . -13.924 4.279 15.472 1.00 92.77 50 A 1 ATOM 405 C CD2 . PHE A 0 50 . -12.399 2.548 16.253 1.00 92.77 50 A 1 ATOM 406 C CE1 . PHE A 0 50 . -13.867 4.898 16.733 1.00 92.77 50 A 1 ATOM 407 C CE2 . PHE A 0 50 . -12.340 3.168 17.514 1.00 92.77 50 A 1 ATOM 408 C CZ . PHE A 0 50 . -13.074 4.343 17.753 1.00 92.77 50 A 1 ATOM 409 N N . TYR A 0 51 . -16.396 2.433 13.356 1.00 92.85 51 A 1 ATOM 410 C CA . TYR A 0 51 . -17.764 2.892 13.580 1.00 92.85 51 A 1 ATOM 411 C C . TYR A 0 51 . -18.720 1.723 13.852 1.00 92.85 51 A 1 ATOM 412 C CB . TYR A 0 51 . -18.234 3.719 12.378 1.00 92.85 51 A 1 ATOM 413 O O . TYR A 0 51 . -19.442 1.737 14.852 1.00 92.85 51 A 1 ATOM 414 C CG . TYR A 0 51 . -19.657 4.220 12.533 1.00 92.85 51 A 1 ATOM 415 C CD1 . TYR A 0 51 . -20.730 3.482 11.993 1.00 92.85 51 A 1 ATOM 416 C CD2 . TYR A 0 51 . -19.907 5.410 13.241 1.00 92.85 51 A 1 ATOM 417 C CE1 . TYR A 0 51 . -22.051 3.938 12.159 1.00 92.85 51 A 1 ATOM 418 C CE2 . TYR A 0 51 . -21.225 5.881 13.391 1.00 92.85 51 A 1 ATOM 419 O OH . TYR A 0 51 . -23.571 5.587 12.996 1.00 92.85 51 A 1 ATOM 420 C CZ . TYR A 0 51 . -22.297 5.144 12.844 1.00 92.85 51 A 1 ATOM 421 N N . GLN A 0 52 . -18.695 0.681 13.016 1.00 92.25 52 A 1 ATOM 422 C CA . GLN A 0 52 . -19.542 -0.501 13.186 1.00 92.25 52 A 1 ATOM 423 C C . GLN A 0 52 . -19.251 -1.227 14.501 1.00 92.25 52 A 1 ATOM 424 C CB . GLN A 0 52 . -19.349 -1.463 12.010 1.00 92.25 52 A 1 ATOM 425 O O . GLN A 0 52 . -20.184 -1.581 15.222 1.00 92.25 52 A 1 ATOM 426 C CG . GLN A 0 52 . -20.023 -0.964 10.724 1.00 92.25 52 A 1 ATOM 427 C CD . GLN A 0 52 . -19.851 -1.944 9.566 1.00 92.25 52 A 1 ATOM 428 N NE2 . GLN A 0 52 . -20.353 -1.624 8.395 1.00 92.25 52 A 1 ATOM 429 O OE1 . GLN A 0 52 . -19.289 -3.018 9.689 1.00 92.25 52 A 1 ATOM 430 N N . LYS A 0 53 . -17.975 -1.379 14.873 1.00 94.08 53 A 1 ATOM 431 C CA . LYS A 0 53 . -17.571 -1.960 16.159 1.00 94.08 53 A 1 ATOM 432 C C . LYS A 0 53 . -18.106 -1.141 17.333 1.00 94.08 53 A 1 ATOM 433 C CB . LYS A 0 53 . -16.041 -2.083 16.192 1.00 94.08 53 A 1 ATOM 434 O O . LYS A 0 53 . -18.634 -1.714 18.282 1.00 94.08 53 A 1 ATOM 435 C CG . LYS A 0 53 . -15.545 -2.804 17.453 1.00 94.08 53 A 1 ATOM 436 C CD . LYS A 0 53 . -14.018 -2.935 17.425 1.00 94.08 53 A 1 ATOM 437 C CE . LYS A 0 53 . -13.530 -3.681 18.671 1.00 94.08 53 A 1 ATOM 438 N NZ . LYS A 0 53 . -12.054 -3.841 18.660 1.00 94.08 53 A 1 ATOM 439 N N . SER A 0 54 . -18.018 0.189 17.265 1.00 93.93 54 A 1 ATOM 440 C CA . SER A 0 54 . -18.573 1.078 18.293 1.00 93.93 54 A 1 ATOM 441 C C . SER A 0 54 . -20.090 0.912 18.434 1.00 93.93 54 A 1 ATOM 442 C CB . SER A 0 54 . -18.234 2.536 17.967 1.00 93.93 54 A 1 ATOM 443 O O . SER A 0 54 . -20.598 0.803 19.551 1.00 93.93 54 A 1 ATOM 444 O OG . SER A 0 54 . -18.645 3.383 19.029 1.00 93.93 54 A 1 ATOM 445 N N . GLN A 0 55 . -20.819 0.836 17.315 1.00 93.03 55 A 1 ATOM 446 C CA . GLN A 0 55 . -22.265 0.599 17.329 1.00 93.03 55 A 1 ATOM 447 C C . GLN A 0 55 . -22.612 -0.780 17.894 1.00 93.03 55 A 1 ATOM 448 C CB . GLN A 0 55 . -22.856 0.758 15.919 1.00 93.03 55 A 1 ATOM 449 O O . GLN A 0 55 . -23.498 -0.885 18.738 1.00 93.03 55 A 1 ATOM 450 C CG . GLN A 0 55 . -22.792 2.196 15.388 1.00 93.03 55 A 1 ATOM 451 C CD . GLN A 0 55 . -23.569 3.212 16.220 1.00 93.03 55 A 1 ATOM 452 N NE2 . GLN A 0 55 . -23.299 4.485 16.041 1.00 93.03 55 A 1 ATOM 453 O OE1 . GLN A 0 55 . -24.421 2.919 17.042 1.00 93.03 55 A 1 ATOM 454 N N . PHE A 0 56 . -21.879 -1.822 17.497 1.00 93.78 56 A 1 ATOM 455 C CA . PHE A 0 56 . -22.075 -3.175 18.009 1.00 93.78 56 A 1 ATOM 456 C C . PHE A 0 56 . -21.908 -3.234 19.533 1.00 93.78 56 A 1 ATOM 457 C CB . PHE A 0 56 . -21.104 -4.124 17.299 1.00 93.78 56 A 1 ATOM 458 O O . PHE A 0 56 . -22.779 -3.757 20.225 1.00 93.78 56 A 1 ATOM 459 C CG . PHE A 0 56 . -21.269 -5.562 17.739 1.00 93.78 56 A 1 ATOM 460 C CD1 . PHE A 0 56 . -20.399 -6.118 18.696 1.00 93.78 56 A 1 ATOM 461 C CD2 . PHE A 0 56 . -22.327 -6.333 17.222 1.00 93.78 56 A 1 ATOM 462 C CE1 . PHE A 0 56 . -20.585 -7.443 19.129 1.00 93.78 56 A 1 ATOM 463 C CE2 . PHE A 0 56 . -22.513 -7.656 17.658 1.00 93.78 56 A 1 ATOM 464 C CZ . PHE A 0 56 . -21.642 -8.210 18.610 1.00 93.78 56 A 1 ATOM 465 N N . VAL A 0 57 . -20.850 -2.618 20.073 1.00 93.44 57 A 1 ATOM 466 C CA . VAL A 0 57 . -20.619 -2.537 21.526 1.00 93.44 57 A 1 ATOM 467 C C . VAL A 0 57 . -21.761 -1.805 22.239 1.00 93.44 57 A 1 ATOM 468 C CB . VAL A 0 57 . -19.255 -1.882 21.824 1.00 93.44 57 A 1 ATOM 469 O O . VAL A 0 57 . -22.213 -2.270 23.282 1.00 93.44 57 A 1 ATOM 470 C CG1 . VAL A 0 57 . -19.046 -1.583 23.315 1.00 93.44 57 A 1 ATOM 471 C CG2 . VAL A 0 57 . -18.107 -2.805 21.388 1.00 93.44 57 A 1 ATOM 472 N N . LYS A 0 58 . -22.279 -0.706 21.669 1.00 93.74 58 A 1 ATOM 473 C CA . LYS A 0 58 . -23.427 0.033 22.231 1.00 93.74 58 A 1 ATOM 474 C C . LYS A 0 58 . -24.719 -0.783 22.244 1.00 93.74 58 A 1 ATOM 475 C CB . LYS A 0 58 . -23.676 1.317 21.430 1.00 93.74 58 A 1 ATOM 476 O O . LYS A 0 58 . -25.524 -0.632 23.159 1.00 93.74 58 A 1 ATOM 477 C CG . LYS A 0 58 . -22.643 2.412 21.705 1.00 93.74 58 A 1 ATOM 478 C CD . LYS A 0 58 . -22.884 3.580 20.743 1.00 93.74 58 A 1 ATOM 479 C CE . LYS A 0 58 . -21.846 4.676 20.982 1.00 93.74 58 A 1 ATOM 480 N NZ . LYS A 0 58 . -21.997 5.778 20.002 1.00 93.74 58 A 1 ATOM 481 N N . VAL A 0 59 . -24.962 -1.599 21.219 1.00 92.82 59 A 1 ATOM 482 C CA . VAL A 0 59 . -26.134 -2.489 21.186 1.00 92.82 59 A 1 ATOM 483 C C . VAL A 0 59 . -25.971 -3.593 22.224 1.00 92.82 59 A 1 ATOM 484 C CB . VAL A 0 59 . -26.372 -3.072 19.781 1.00 92.82 59 A 1 ATOM 485 O O . VAL A 0 59 . -26.892 -3.840 22.997 1.00 92.82 59 A 1 ATOM 486 C CG1 . VAL A 0 59 . -27.527 -4.083 19.777 1.00 92.82 59 A 1 ATOM 487 C CG2 . VAL A 0 59 . -26.745 -1.964 18.787 1.00 92.82 59 A 1 ATOM 488 N N . LEU A 0 60 . -24.785 -4.198 22.301 1.00 93.26 60 A 1 ATOM 489 C CA . LEU A 0 60 . -24.493 -5.261 23.256 1.00 93.26 60 A 1 ATOM 490 C C . LEU A 0 60 . -24.648 -4.780 24.707 1.00 93.26 60 A 1 ATOM 491 C CB . LEU A 0 60 . -23.085 -5.802 22.963 1.00 93.26 60 A 1 ATOM 492 O O . LEU A 0 60 . -25.285 -5.463 25.502 1.00 93.26 60 A 1 ATOM 493 C CG . LEU A 0 60 . -22.849 -7.187 23.600 1.00 93.26 60 A 1 ATOM 494 C CD1 . LEU A 0 60 . -22.555 -8.225 22.515 1.00 93.26 60 A 1 ATOM 495 C CD2 . LEU A 0 60 . -21.672 -7.155 24.573 1.00 93.26 60 A 1 ATOM 496 N N . SER A 0 61 . -24.165 -3.574 25.028 1.00 92.64 61 A 1 ATOM 497 C CA . SER A 0 61 . -24.314 -2.993 26.369 1.00 92.64 61 A 1 ATOM 498 C C . SER A 0 61 . -25.771 -2.731 26.758 1.00 92.64 61 A 1 ATOM 499 C CB . SER A 0 61 . -23.503 -1.698 26.503 1.00 92.64 61 A 1 ATOM 500 O O . SER A 0 61 . -26.104 -2.816 27.933 1.00 92.64 61 A 1 ATOM 501 O OG . SER A 0 61 . -23.972 -0.670 25.646 1.00 92.64 61 A 1 ATOM 502 N N . LYS A 0 62 . -26.641 -2.413 25.787 1.00 92.43 62 A 1 ATOM 503 C CA . LYS A 0 62 . -28.082 -2.219 26.025 1.00 92.43 62 A 1 ATOM 504 C C . LYS A 0 62 . -28.829 -3.530 26.256 1.00 92.43 62 A 1 ATOM 505 C CB . LYS A 0 62 . -28.733 -1.495 24.840 1.00 92.43 62 A 1 ATOM 506 O O . LYS A 0 62 . -29.858 -3.507 26.909 1.00 92.43 62 A 1 ATOM 507 C CG . LYS A 0 62 . -28.400 -0.003 24.780 1.00 92.43 62 A 1 ATOM 508 C CD . LYS A 0 62 . -29.062 0.591 23.534 1.00 92.43 62 A 1 ATOM 509 C CE . LYS A 0 62 . -28.756 2.083 23.421 1.00 92.43 62 A 1 ATOM 510 N NZ . LYS A 0 62 . -29.508 2.686 22.294 1.00 92.43 62 A 1 ATOM 511 N N . LEU A 0 63 . -28.351 -4.638 25.688 1.00 91.05 63 A 1 ATOM 512 C CA . LEU A 0 63 . -28.953 -5.963 25.871 1.00 91.05 63 A 1 ATOM 513 C C . LEU A 0 63 . -28.534 -6.620 27.193 1.00 91.05 63 A 1 ATOM 514 C CB . LEU A 0 63 . -28.572 -6.862 24.680 1.00 91.05 63 A 1 ATOM 515 O O . LEU A 0 63 . -29.223 -7.516 27.666 1.00 91.05 63 A 1 ATOM 516 C CG . LEU A 0 63 . -29.227 -6.479 23.343 1.00 91.05 63 A 1 ATOM 517 C CD1 . LEU A 0 63 . -28.602 -7.305 22.216 1.00 91.05 63 A 1 ATOM 518 C CD2 . LEU A 0 63 . -30.736 -6.736 23.341 1.00 91.05 63 A 1 ATOM 519 N N . SER A 0 64 . -27.399 -6.209 27.767 1.00 81.30 64 A 1 ATOM 520 C CA . SER A 0 64 . -26.902 -6.722 29.051 1.00 81.30 64 A 1 ATOM 521 C C . SER A 0 64 . -27.505 -6.049 30.293 1.00 81.30 64 A 1 ATOM 522 C CB . SER A 0 64 . -25.372 -6.631 29.091 1.00 81.30 64 A 1 ATOM 523 O O . SER A 0 64 . -27.230 -6.506 31.400 1.00 81.30 64 A 1 ATOM 524 O OG . SER A 0 64 . -24.904 -5.319 28.827 1.00 81.30 64 A 1 ATOM 525 N N . THR A 0 65 . -28.271 -4.968 30.123 1.00 68.62 65 A 1 ATOM 526 C CA . THR A 0 65 . -29.030 -4.257 31.176 1.00 68.62 65 A 1 ATOM 527 C C . THR A 0 65 . -30.509 -4.545 31.048 1.00 68.62 65 A 1 ATOM 528 C CB . THR A 0 65 . -28.872 -2.737 31.090 1.00 68.62 65 A 1 ATOM 529 O O . THR A 0 65 . -31.137 -4.823 32.089 1.00 68.62 65 A 1 ATOM 530 C CG2 . THR A 0 65 . -27.562 -2.254 31.703 1.00 68.62 65 A 1 ATOM 531 O OG1 . THR A 0 65 . -28.946 -2.340 29.739 1.00 68.62 65 A 1 ATOM 532 O OXT . THR A 0 65 . -30.974 -4.389 29.899 1.00 68.62 65 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 83.30 # loop_ _atom_type.symbol C N O S #