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 VAL 0 3 GLU 0 4 ASN 0 5 TYR 0 6 ALA 0 7 VAL 0 8 PRO 0 9 LYS 0 10 LEU 0 11 TYR 0 12 VAL 0 13 LYS 0 14 LEU 0 15 GLN 0 16 TYR 0 17 CYS 0 18 ILE 0 19 SER 0 20 CYS 0 21 ALA 0 22 ILE 0 23 HIS 0 24 SER 0 25 LYS 0 26 VAL 0 27 LEU 0 28 ARG 0 29 ASN 0 30 ARG 0 31 SER 0 32 ARG 0 33 GLU 0 34 SER 0 35 ARG 0 36 ARG 0 37 LEU 0 38 ARG 0 39 ARG 0 40 ILE 0 41 ILE 0 42 VAL 0 43 LYS 0 44 PRO 0 45 ARG 0 46 VAL 0 47 LYS 0 48 PHE 0 49 SER 0 50 ARG 0 51 PRO 0 52 VAL 0 53 PRO 0 54 PRO 0 55 LYS 0 56 ALA # 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 . -0.798 -2.671 36.332 1.00 60.96 1 A 1 ATOM 2 C CA . MET A 0 1 . -1.286 -2.562 34.938 1.00 60.96 1 A 1 ATOM 3 C C . MET A 0 1 . -1.554 -1.095 34.664 1.00 60.96 1 A 1 ATOM 4 C CB . MET A 0 1 . -2.570 -3.383 34.740 1.00 60.96 1 A 1 ATOM 5 O O . MET A 0 1 . -2.128 -0.451 35.527 1.00 60.96 1 A 1 ATOM 6 C CG . MET A 0 1 . -2.266 -4.861 34.476 1.00 60.96 1 A 1 ATOM 7 S SD . MET A 0 1 . -3.733 -5.912 34.576 1.00 60.96 1 A 1 ATOM 8 C CE . MET A 0 1 . -3.086 -7.471 33.915 1.00 60.96 1 A 1 ATOM 9 N N . VAL A 0 2 . -1.087 -0.544 33.542 1.00 81.61 2 A 1 ATOM 10 C CA . VAL A 0 2 . -1.367 0.860 33.196 1.00 81.61 2 A 1 ATOM 11 C C . VAL A 0 2 . -2.715 0.900 32.478 1.00 81.61 2 A 1 ATOM 12 C CB . VAL A 0 2 . -0.238 1.478 32.344 1.00 81.61 2 A 1 ATOM 13 O O . VAL A 0 2 . -2.820 0.407 31.359 1.00 81.61 2 A 1 ATOM 14 C CG1 . VAL A 0 2 . -0.518 2.954 32.036 1.00 81.61 2 A 1 ATOM 15 C CG2 . VAL A 0 2 . 1.114 1.393 33.067 1.00 81.61 2 A 1 ATOM 16 N N . GLU A 0 3 . -3.741 1.452 33.122 1.00 79.44 3 A 1 ATOM 17 C CA . GLU A 0 3 . -5.145 1.374 32.676 1.00 79.44 3 A 1 ATOM 18 C C . GLU A 0 3 . -5.464 2.223 31.427 1.00 79.44 3 A 1 ATOM 19 C CB . GLU A 0 3 . -6.071 1.688 33.869 1.00 79.44 3 A 1 ATOM 20 O O . GLU A 0 3 . -6.555 2.131 30.870 1.00 79.44 3 A 1 ATOM 21 C CG . GLU A 0 3 . -5.926 0.617 34.968 1.00 79.44 3 A 1 ATOM 22 C CD . GLU A 0 3 . -6.861 0.817 36.170 1.00 79.44 3 A 1 ATOM 23 O OE1 . GLU A 0 3 . -7.104 -0.200 36.856 1.00 79.44 3 A 1 ATOM 24 O OE2 . GLU A 0 3 . -7.277 1.971 36.410 1.00 79.44 3 A 1 ATOM 25 N N . ASN A 0 4 . -4.500 2.992 30.904 1.00 85.82 4 A 1 ATOM 26 C CA . ASN A 0 4 . -4.710 3.906 29.774 1.00 85.82 4 A 1 ATOM 27 C C . ASN A 0 4 . -3.498 4.028 28.830 1.00 85.82 4 A 1 ATOM 28 C CB . ASN A 0 4 . -5.162 5.274 30.323 1.00 85.82 4 A 1 ATOM 29 O O . ASN A 0 4 . -3.199 5.117 28.339 1.00 85.82 4 A 1 ATOM 30 C CG . ASN A 0 4 . -6.518 5.211 30.993 1.00 85.82 4 A 1 ATOM 31 N ND2 . ASN A 0 4 . -7.588 5.454 30.275 1.00 85.82 4 A 1 ATOM 32 O OD1 . ASN A 0 4 . -6.633 4.949 32.171 1.00 85.82 4 A 1 ATOM 33 N N . TYR A 0 5 . -2.775 2.939 28.547 1.00 88.64 5 A 1 ATOM 34 C CA . TYR A 0 5 . -1.668 3.014 27.585 1.00 88.64 5 A 1 ATOM 35 C C . TYR A 0 5 . -2.174 3.314 26.163 1.00 88.64 5 A 1 ATOM 36 C CB . TYR A 0 5 . -0.802 1.752 27.627 1.00 88.64 5 A 1 ATOM 37 O O . TYR A 0 5 . -2.816 2.484 25.515 1.00 88.64 5 A 1 ATOM 38 C CG . TYR A 0 5 . 0.398 1.842 26.699 1.00 88.64 5 A 1 ATOM 39 C CD1 . TYR A 0 5 . 0.372 1.200 25.445 1.00 88.64 5 A 1 ATOM 40 C CD2 . TYR A 0 5 . 1.524 2.602 27.074 1.00 88.64 5 A 1 ATOM 41 C CE1 . TYR A 0 5 . 1.474 1.303 24.575 1.00 88.64 5 A 1 ATOM 42 C CE2 . TYR A 0 5 . 2.627 2.711 26.205 1.00 88.64 5 A 1 ATOM 43 O OH . TYR A 0 5 . 3.667 2.149 24.111 1.00 88.64 5 A 1 ATOM 44 C CZ . TYR A 0 5 . 2.604 2.058 24.953 1.00 88.64 5 A 1 ATOM 45 N N . ALA A 0 6 . -1.873 4.513 25.662 1.00 89.43 6 A 1 ATOM 46 C CA . ALA A 0 6 . -2.181 4.896 24.293 1.00 89.43 6 A 1 ATOM 47 C C . ALA A 0 6 . -1.229 4.184 23.324 1.00 89.43 6 A 1 ATOM 48 C CB . ALA A 0 6 . -2.118 6.422 24.165 1.00 89.43 6 A 1 ATOM 49 O O . ALA A 0 6 . -0.029 4.456 23.299 1.00 89.43 6 A 1 ATOM 50 N N . VAL A 0 7 . -1.775 3.294 22.492 1.00 88.51 7 A 1 ATOM 51 C CA . VAL A 0 7 . -0.999 2.611 21.451 1.00 88.51 7 A 1 ATOM 52 C C . VAL A 0 7 . -0.469 3.650 20.449 1.00 88.51 7 A 1 ATOM 53 C CB . VAL A 0 7 . -1.832 1.527 20.742 1.00 88.51 7 A 1 ATOM 54 O O . VAL A 0 7 . -1.274 4.390 19.864 1.00 88.51 7 A 1 ATOM 55 C CG1 . VAL A 0 7 . -1.018 0.795 19.667 1.00 88.51 7 A 1 ATOM 56 C CG2 . VAL A 0 7 . -2.330 0.474 21.742 1.00 88.51 7 A 1 ATOM 57 N N . PRO A 0 8 . 0.857 3.733 20.221 1.00 92.42 8 A 1 ATOM 58 C CA . PRO A 0 8 . 1.423 4.705 19.297 1.00 92.42 8 A 1 ATOM 59 C C . PRO A 0 8 . 0.991 4.412 17.856 1.00 92.42 8 A 1 ATOM 60 C CB . PRO A 0 8 . 2.941 4.632 19.486 1.00 92.42 8 A 1 ATOM 61 O O . PRO A 0 8 . 0.809 3.265 17.445 1.00 92.42 8 A 1 ATOM 62 C CG . PRO A 0 8 . 3.166 3.202 19.974 1.00 92.42 8 A 1 ATOM 63 C CD . PRO A 0 8 . 1.917 2.924 20.811 1.00 92.42 8 A 1 ATOM 64 N N . LYS A 0 9 . 0.838 5.473 17.062 1.00 93.14 9 A 1 ATOM 65 C CA . LYS A 0 9 . 0.548 5.363 15.628 1.00 93.14 9 A 1 ATOM 66 C C . LYS A 0 9 . 1.856 5.273 14.850 1.00 93.14 9 A 1 ATOM 67 C CB . LYS A 0 9 . -0.290 6.555 15.150 1.00 93.14 9 A 1 ATOM 68 O O . LYS A 0 9 . 2.747 6.093 15.053 1.00 93.14 9 A 1 ATOM 69 C CG . LYS A 0 9 . -1.690 6.578 15.781 1.00 93.14 9 A 1 ATOM 70 C CD . LYS A 0 9 . -2.421 7.862 15.374 1.00 93.14 9 A 1 ATOM 71 C CE . LYS A 0 9 . -3.769 7.956 16.094 1.00 93.14 9 A 1 ATOM 72 N NZ . LYS A 0 9 . -4.350 9.315 15.953 1.00 93.14 9 A 1 ATOM 73 N N . LEU A 0 10 . 1.933 4.330 13.917 1.00 94.91 10 A 1 ATOM 74 C CA . LEU A 0 10 . 3.009 4.271 12.931 1.00 94.91 10 A 1 ATOM 75 C C . LEU A 0 10 . 2.665 5.177 11.744 1.00 94.91 10 A 1 ATOM 76 C CB . LEU A 0 10 . 3.244 2.813 12.495 1.00 94.91 10 A 1 ATOM 77 O O . LEU A 0 10 . 1.559 5.105 11.204 1.00 94.91 10 A 1 ATOM 78 C CG . LEU A 0 10 . 3.699 1.872 13.628 1.00 94.91 10 A 1 ATOM 79 C CD1 . LEU A 0 10 . 3.784 0.442 13.097 1.00 94.91 10 A 1 ATOM 80 C CD2 . LEU A 0 10 . 5.066 2.262 14.193 1.00 94.91 10 A 1 ATOM 81 N N . TYR A 0 11 . 3.615 6.013 11.329 1.00 95.75 11 A 1 ATOM 82 C CA . TYR A 0 11 . 3.472 6.906 10.181 1.00 95.75 11 A 1 ATOM 83 C C . TYR A 0 11 . 4.428 6.471 9.076 1.00 95.75 11 A 1 ATOM 84 C CB . TYR A 0 11 . 3.718 8.361 10.597 1.00 95.75 11 A 1 ATOM 85 O O . TYR A 0 11 . 5.638 6.429 9.275 1.00 95.75 11 A 1 ATOM 86 C CG . TYR A 0 11 . 2.714 8.888 11.602 1.00 95.75 11 A 1 ATOM 87 C CD1 . TYR A 0 11 . 1.482 9.414 11.165 1.00 95.75 11 A 1 ATOM 88 C CD2 . TYR A 0 11 . 3.012 8.845 12.977 1.00 95.75 11 A 1 ATOM 89 C CE1 . TYR A 0 11 . 0.551 9.902 12.104 1.00 95.75 11 A 1 ATOM 90 C CE2 . TYR A 0 11 . 2.091 9.340 13.916 1.00 95.75 11 A 1 ATOM 91 O OH . TYR A 0 11 . -0.024 10.354 14.393 1.00 95.75 11 A 1 ATOM 92 C CZ . TYR A 0 11 . 0.860 9.871 13.480 1.00 95.75 11 A 1 ATOM 93 N N . VAL A 0 12 . 3.879 6.154 7.904 1.00 95.57 12 A 1 ATOM 94 C CA . VAL A 0 12 . 4.652 5.721 6.734 1.00 95.57 12 A 1 ATOM 95 C C . VAL A 0 12 . 4.151 6.466 5.504 1.00 95.57 12 A 1 ATOM 96 C CB . VAL A 0 12 . 4.572 4.193 6.535 1.00 95.57 12 A 1 ATOM 97 O O . VAL A 0 12 . 2.947 6.523 5.248 1.00 95.57 12 A 1 ATOM 98 C CG1 . VAL A 0 12 . 5.406 3.745 5.327 1.00 95.57 12 A 1 ATOM 99 C CG2 . VAL A 0 12 . 5.086 3.432 7.766 1.00 95.57 12 A 1 ATOM 100 N N . LYS A 0 13 . 5.077 7.027 4.722 1.00 95.27 13 A 1 ATOM 101 C CA . LYS A 0 13 . 4.775 7.645 3.428 1.00 95.27 13 A 1 ATOM 102 C C . LYS A 0 13 . 4.944 6.603 2.327 1.00 95.27 13 A 1 ATOM 103 C CB . LYS A 0 13 . 5.670 8.875 3.217 1.00 95.27 13 A 1 ATOM 104 O O . LYS A 0 13 . 6.058 6.207 2.007 1.00 95.27 13 A 1 ATOM 105 C CG . LYS A 0 13 . 5.209 9.707 2.009 1.00 95.27 13 A 1 ATOM 106 C CD . LYS A 0 13 . 6.191 10.858 1.744 1.00 95.27 13 A 1 ATOM 107 C CE . LYS A 0 13 . 5.666 11.815 0.664 1.00 95.27 13 A 1 ATOM 108 N NZ . LYS A 0 13 . 6.656 12.878 0.351 1.00 95.27 13 A 1 ATOM 109 N N . LEU A 0 14 . 3.837 6.181 1.731 1.00 93.86 14 A 1 ATOM 110 C CA . LEU A 0 14 . 3.844 5.212 0.638 1.00 93.86 14 A 1 ATOM 111 C C . LEU A 0 14 . 4.104 5.927 -0.695 1.00 93.86 14 A 1 ATOM 112 C CB . LEU A 0 14 . 2.528 4.413 0.660 1.00 93.86 14 A 1 ATOM 113 O O . LEU A 0 14 . 3.486 6.954 -0.980 1.00 93.86 14 A 1 ATOM 114 C CG . LEU A 0 14 . 2.297 3.646 1.981 1.00 93.86 14 A 1 ATOM 115 C CD1 . LEU A 0 14 . 0.881 3.077 2.033 1.00 93.86 14 A 1 ATOM 116 C CD2 . LEU A 0 14 . 3.294 2.501 2.162 1.00 93.86 14 A 1 ATOM 117 N N . GLN A 0 15 . 5.028 5.397 -1.496 1.00 96.38 15 A 1 ATOM 118 C CA . GLN A 0 15 . 5.309 5.835 -2.865 1.00 96.38 15 A 1 ATOM 119 C C . GLN A 0 15 . 5.119 4.643 -3.802 1.00 96.38 15 A 1 ATOM 120 C CB . GLN A 0 15 . 6.735 6.402 -2.992 1.00 96.38 15 A 1 ATOM 121 O O . GLN A 0 15 . 5.546 3.535 -3.486 1.00 96.38 15 A 1 ATOM 122 C CG . GLN A 0 15 . 6.987 7.666 -2.158 1.00 96.38 15 A 1 ATOM 123 C CD . GLN A 0 15 . 6.047 8.809 -2.526 1.00 96.38 15 A 1 ATOM 124 N NE2 . GLN A 0 15 . 5.326 9.366 -1.584 1.00 96.38 15 A 1 ATOM 125 O OE1 . GLN A 0 15 . 5.875 9.193 -3.667 1.00 96.38 15 A 1 ATOM 126 N N . TYR A 0 16 . 4.470 4.865 -4.943 1.00 95.45 16 A 1 ATOM 127 C CA . TYR A 0 16 . 4.134 3.807 -5.889 1.00 95.45 16 A 1 ATOM 128 C C . TYR A 0 16 . 4.551 4.185 -7.302 1.00 95.45 16 A 1 ATOM 129 C CB . TYR A 0 16 . 2.627 3.518 -5.855 1.00 95.45 16 A 1 ATOM 130 O O . TYR A 0 16 . 4.380 5.325 -7.731 1.00 95.45 16 A 1 ATOM 131 C CG . TYR A 0 16 . 2.123 2.930 -4.555 1.00 95.45 16 A 1 ATOM 132 C CD1 . TYR A 0 16 . 2.482 1.616 -4.198 1.00 95.45 16 A 1 ATOM 133 C CD2 . TYR A 0 16 . 1.297 3.692 -3.707 1.00 95.45 16 A 1 ATOM 134 C CE1 . TYR A 0 16 . 2.009 1.057 -2.997 1.00 95.45 16 A 1 ATOM 135 C CE2 . TYR A 0 16 . 0.819 3.136 -2.506 1.00 95.45 16 A 1 ATOM 136 O OH . TYR A 0 16 . 0.701 1.275 -1.005 1.00 95.45 16 A 1 ATOM 137 C CZ . TYR A 0 16 . 1.172 1.816 -2.155 1.00 95.45 16 A 1 ATOM 138 N N . CYS A 0 17 . 5.002 3.185 -8.053 1.00 96.98 17 A 1 ATOM 139 C CA . CYS A 0 17 . 5.026 3.256 -9.503 1.00 96.98 17 A 1 ATOM 140 C C . CYS A 0 17 . 3.585 3.246 -10.065 1.00 96.98 17 A 1 ATOM 141 C CB . CYS A 0 17 . 5.909 2.106 -10.003 1.00 96.98 17 A 1 ATOM 142 O O . CYS A 0 17 . 2.661 2.762 -9.403 1.00 96.98 17 A 1 ATOM 143 S SG . CYS A 0 17 . 5.195 0.432 -10.111 1.00 96.98 17 A 1 ATOM 144 N N . ILE A 0 18 . 3.362 3.758 -11.283 1.00 95.07 18 A 1 ATOM 145 C CA . ILE A 0 18 . 2.006 3.839 -11.869 1.00 95.07 18 A 1 ATOM 146 C C . ILE A 0 18 . 1.363 2.445 -11.953 1.00 95.07 18 A 1 ATOM 147 C CB . ILE A 0 18 . 2.030 4.537 -13.252 1.00 95.07 18 A 1 ATOM 148 O O . ILE A 0 18 . 0.208 2.272 -11.558 1.00 95.07 18 A 1 ATOM 149 C CG1 . ILE A 0 18 . 2.538 5.993 -13.119 1.00 95.07 18 A 1 ATOM 150 C CG2 . ILE A 0 18 . 0.631 4.520 -13.903 1.00 95.07 18 A 1 ATOM 151 C CD1 . ILE A 0 18 . 2.815 6.684 -14.460 1.00 95.07 18 A 1 ATOM 152 N N . SER A 0 19 . 2.120 1.434 -12.390 1.00 97.20 19 A 1 ATOM 153 C CA . SER A 0 19 . 1.646 0.046 -12.464 1.00 97.20 19 A 1 ATOM 154 C C . SER A 0 19 . 1.298 -0.518 -11.082 1.00 97.20 19 A 1 ATOM 155 C CB . SER A 0 19 . 2.683 -0.832 -13.179 1.00 97.20 19 A 1 ATOM 156 O O . SER A 0 19 . 0.233 -1.108 -10.915 1.00 97.20 19 A 1 ATOM 157 O OG . SER A 0 19 . 3.975 -0.595 -12.665 1.00 97.20 19 A 1 ATOM 158 N N . CYS A 0 20 . 2.121 -0.247 -10.066 1.00 96.55 20 A 1 ATOM 159 C CA . CYS A 0 20 . 1.910 -0.647 -8.674 1.00 96.55 20 A 1 ATOM 160 C C . CYS A 0 20 . 0.591 -0.082 -8.108 1.00 96.55 20 A 1 ATOM 161 C CB . CYS A 0 20 . 3.082 -0.123 -7.819 1.00 96.55 20 A 1 ATOM 162 O O . CYS A 0 20 . -0.187 -0.783 -7.453 1.00 96.55 20 A 1 ATOM 163 S SG . CYS A 0 20 . 4.801 -0.484 -8.305 1.00 96.55 20 A 1 ATOM 164 N N . ALA A 0 21 . 0.325 1.200 -8.373 1.00 95.73 21 A 1 ATOM 165 C CA . ALA A 0 21 . -0.853 1.904 -7.875 1.00 95.73 21 A 1 ATOM 166 C C . ALA A 0 21 . -2.156 1.422 -8.541 1.00 95.73 21 A 1 ATOM 167 C CB . ALA A 0 21 . -0.630 3.401 -8.100 1.00 95.73 21 A 1 ATOM 168 O O . ALA A 0 21 . -3.207 1.390 -7.897 1.00 95.73 21 A 1 ATOM 169 N N . ILE A 0 22 . -2.093 1.032 -9.819 1.00 96.05 22 A 1 ATOM 170 C CA . ILE A 0 22 . -3.227 0.435 -10.540 1.00 96.05 22 A 1 ATOM 171 C C . ILE A 0 22 . -3.455 -1.003 -10.062 1.00 96.05 22 A 1 ATOM 172 C CB . ILE A 0 22 . -2.999 0.518 -12.068 1.00 96.05 22 A 1 ATOM 173 O O . ILE A 0 22 . -4.590 -1.371 -9.757 1.00 96.05 22 A 1 ATOM 174 C CG1 . ILE A 0 22 . -2.988 1.997 -12.524 1.00 96.05 22 A 1 ATOM 175 C CG2 . ILE A 0 22 . -4.093 -0.255 -12.832 1.00 96.05 22 A 1 ATOM 176 C CD1 . ILE A 0 22 . -2.499 2.196 -13.964 1.00 96.05 22 A 1 ATOM 177 N N . HIS A 0 23 . -2.386 -1.792 -9.922 1.00 96.50 23 A 1 ATOM 178 C CA . HIS A 0 23 . -2.456 -3.183 -9.468 1.00 96.50 23 A 1 ATOM 179 C C . HIS A 0 23 . -3.082 -3.305 -8.070 1.00 96.50 23 A 1 ATOM 180 C CB . HIS A 0 23 . -1.045 -3.783 -9.508 1.00 96.50 23 A 1 ATOM 181 O O . HIS A 0 23 . -4.000 -4.094 -7.858 1.00 96.50 23 A 1 ATOM 182 C CG . HIS A 0 23 . -1.027 -5.228 -9.089 1.00 96.50 23 A 1 ATOM 183 C CD2 . HIS A 0 23 . -0.662 -5.718 -7.864 1.00 96.50 23 A 1 ATOM 184 N ND1 . HIS A 0 23 . -1.427 -6.301 -9.854 1.00 96.50 23 A 1 ATOM 185 C CE1 . HIS A 0 23 . -1.304 -7.411 -9.106 1.00 96.50 23 A 1 ATOM 186 N NE2 . HIS A 0 23 . -0.852 -7.099 -7.883 1.00 96.50 23 A 1 ATOM 187 N N . SER A 0 24 . -2.668 -2.449 -7.132 1.00 95.66 24 A 1 ATOM 188 C CA . SER A 0 24 . -3.219 -2.387 -5.767 1.00 95.66 24 A 1 ATOM 189 C C . SER A 0 24 . -4.594 -1.705 -5.667 1.00 95.66 24 A 1 ATOM 190 C CB . SER A 0 24 . -2.215 -1.707 -4.832 1.00 95.66 24 A 1 ATOM 191 O O . SER A 0 24 . -5.132 -1.548 -4.570 1.00 95.66 24 A 1 ATOM 192 O OG . SER A 0 24 . -1.895 -0.420 -5.323 1.00 95.66 24 A 1 ATOM 193 N N . LYS A 0 25 . -5.191 -1.294 -6.798 1.00 92.70 25 A 1 ATOM 194 C CA . LYS A 0 25 . -6.498 -0.612 -6.877 1.00 92.70 25 A 1 ATOM 195 C C . LYS A 0 25 . -6.563 0.705 -6.087 1.00 92.70 25 A 1 ATOM 196 C CB . LYS A 0 25 . -7.642 -1.582 -6.513 1.00 92.70 25 A 1 ATOM 197 O O . LYS A 0 25 . -7.657 1.156 -5.717 1.00 92.70 25 A 1 ATOM 198 C CG . LYS A 0 25 . -7.612 -2.900 -7.302 1.00 92.70 25 A 1 ATOM 199 C CD . LYS A 0 25 . -8.767 -3.827 -6.893 1.00 92.70 25 A 1 ATOM 200 C CE . LYS A 0 25 . -8.664 -5.132 -7.694 1.00 92.70 25 A 1 ATOM 201 N NZ . LYS A 0 25 . -9.777 -6.077 -7.410 1.00 92.70 25 A 1 ATOM 202 N N . VAL A 0 26 . -5.408 1.330 -5.843 1.00 91.75 26 A 1 ATOM 203 C CA . VAL A 0 26 . -5.300 2.684 -5.279 1.00 91.75 26 A 1 ATOM 204 C C . VAL A 0 26 . -5.773 3.696 -6.320 1.00 91.75 26 A 1 ATOM 205 C CB . VAL A 0 26 . -3.857 2.983 -4.822 1.00 91.75 26 A 1 ATOM 206 O O . VAL A 0 26 . -6.616 4.542 -6.022 1.00 91.75 26 A 1 ATOM 207 C CG1 . VAL A 0 26 . -3.693 4.430 -4.339 1.00 91.75 26 A 1 ATOM 208 C CG2 . VAL A 0 26 . -3.452 2.065 -3.663 1.00 91.75 26 A 1 ATOM 209 N N . LEU A 0 27 . -5.293 3.553 -7.558 1.00 91.81 27 A 1 ATOM 210 C CA . LEU A 0 27 . -5.792 4.280 -8.723 1.00 91.81 27 A 1 ATOM 211 C C . LEU A 0 27 . -6.789 3.425 -9.513 1.00 91.81 27 A 1 ATOM 212 C CB . LEU A 0 27 . -4.618 4.758 -9.596 1.00 91.81 27 A 1 ATOM 213 O O . LEU A 0 27 . -6.760 2.197 -9.472 1.00 91.81 27 A 1 ATOM 214 C CG . LEU A 0 27 . -3.675 5.762 -8.905 1.00 91.81 27 A 1 ATOM 215 C CD1 . LEU A 0 27 . -2.554 6.147 -9.868 1.00 91.81 27 A 1 ATOM 216 C CD2 . LEU A 0 27 . -4.388 7.045 -8.465 1.00 91.81 27 A 1 ATOM 217 N N . ARG A 0 28 . -7.690 4.091 -10.239 1.00 91.96 28 A 1 ATOM 218 C CA . ARG A 0 28 . -8.688 3.463 -11.116 1.00 91.96 28 A 1 ATOM 219 C C . ARG A 0 28 . -8.730 4.185 -12.455 1.00 91.96 28 A 1 ATOM 220 C CB . ARG A 0 28 . -10.077 3.464 -10.451 1.00 91.96 28 A 1 ATOM 221 O O . ARG A 0 28 . -8.521 5.400 -12.504 1.00 91.96 28 A 1 ATOM 222 C CG . ARG A 0 28 . -10.100 2.603 -9.180 1.00 91.96 28 A 1 ATOM 223 C CD . ARG A 0 28 . -11.491 2.566 -8.545 1.00 91.96 28 A 1 ATOM 224 N NE . ARG A 0 28 . -11.469 1.715 -7.339 1.00 91.96 28 A 1 ATOM 225 N NH1 . ARG A 0 28 . -13.148 0.242 -7.906 1.00 91.96 28 A 1 ATOM 226 N NH2 . ARG A 0 28 . -12.073 0.001 -5.973 1.00 91.96 28 A 1 ATOM 227 C CZ . ARG A 0 28 . -12.231 0.666 -7.082 1.00 91.96 28 A 1 ATOM 228 N N . ASN A 0 29 . -9.042 3.455 -13.524 1.00 91.21 29 A 1 ATOM 229 C CA . ASN A 0 29 . -9.266 4.062 -14.832 1.00 91.21 29 A 1 ATOM 230 C C . ASN A 0 29 . -10.488 4.986 -14.770 1.00 91.21 29 A 1 ATOM 231 C CB . ASN A 0 29 . -9.381 2.979 -15.922 1.00 91.21 29 A 1 ATOM 232 O O . ASN A 0 29 . -11.557 4.599 -14.305 1.00 91.21 29 A 1 ATOM 233 C CG . ASN A 0 29 . -8.036 2.371 -16.284 1.00 91.21 29 A 1 ATOM 234 N ND2 . ASN A 0 29 . -8.008 1.408 -17.171 1.00 91.21 29 A 1 ATOM 235 O OD1 . ASN A 0 29 . -6.998 2.773 -15.788 1.00 91.21 29 A 1 ATOM 236 N N . ARG A 0 30 . -10.296 6.228 -15.219 1.00 92.77 30 A 1 ATOM 237 C CA . ARG A 0 30 . -11.300 7.298 -15.240 1.00 92.77 30 A 1 ATOM 238 C C . ARG A 0 30 . -11.611 7.699 -16.684 1.00 92.77 30 A 1 ATOM 239 C CB . ARG A 0 30 . -10.790 8.483 -14.397 1.00 92.77 30 A 1 ATOM 240 O O . ARG A 0 30 . -10.716 7.640 -17.540 1.00 92.77 30 A 1 ATOM 241 C CG . ARG A 0 30 . -10.838 8.218 -12.882 1.00 92.77 30 A 1 ATOM 242 C CD . ARG A 0 30 . -10.622 9.499 -12.057 1.00 92.77 30 A 1 ATOM 243 N NE . ARG A 0 30 . -9.281 10.092 -12.246 1.00 92.77 30 A 1 ATOM 244 N NH1 . ARG A 0 30 . -9.704 12.143 -11.277 1.00 92.77 30 A 1 ATOM 245 N NH2 . ARG A 0 30 . -7.723 11.764 -12.183 1.00 92.77 30 A 1 ATOM 246 C CZ . ARG A 0 30 . -8.913 11.319 -11.899 1.00 92.77 30 A 1 ATOM 247 N N . SER A 0 31 . -12.852 8.124 -16.941 1.00 94.31 31 A 1 ATOM 248 C CA . SER A 0 31 . -13.282 8.662 -18.243 1.00 94.31 31 A 1 ATOM 249 C C . SER A 0 31 . -12.423 9.861 -18.665 1.00 94.31 31 A 1 ATOM 250 C CB . SER A 0 31 . -14.769 9.057 -18.222 1.00 94.31 31 A 1 ATOM 251 O O . SER A 0 31 . -11.793 10.511 -17.828 1.00 94.31 31 A 1 ATOM 252 O OG . SER A 0 31 . -14.979 10.211 -17.424 1.00 94.31 31 A 1 ATOM 253 N N . ARG A 0 32 . -12.382 10.172 -19.968 1.00 94.41 32 A 1 ATOM 254 C CA . ARG A 0 32 . -11.547 11.263 -20.506 1.00 94.41 32 A 1 ATOM 255 C C . ARG A 0 32 . -11.800 12.593 -19.789 1.00 94.41 32 A 1 ATOM 256 C CB . ARG A 0 32 . -11.791 11.385 -22.021 1.00 94.41 32 A 1 ATOM 257 O O . ARG A 0 32 . -10.845 13.273 -19.422 1.00 94.41 32 A 1 ATOM 258 C CG . ARG A 0 32 . -10.891 12.442 -22.684 1.00 94.41 32 A 1 ATOM 259 C CD . ARG A 0 32 . -11.153 12.505 -24.194 1.00 94.41 32 A 1 ATOM 260 N NE . ARG A 0 32 . -10.324 13.532 -24.858 1.00 94.41 32 A 1 ATOM 261 N NH1 . ARG A 0 32 . -11.138 13.225 -26.988 1.00 94.41 32 A 1 ATOM 262 N NH2 . ARG A 0 32 . -9.572 14.763 -26.629 1.00 94.41 32 A 1 ATOM 263 C CZ . ARG A 0 32 . -10.350 13.834 -26.148 1.00 94.41 32 A 1 ATOM 264 N N . GLU A 0 33 . -13.064 12.922 -19.549 1.00 92.64 33 A 1 ATOM 265 C CA . GLU A 0 33 . -13.481 14.151 -18.865 1.00 92.64 33 A 1 ATOM 266 C C . GLU A 0 33 . -13.074 14.149 -17.387 1.00 92.64 33 A 1 ATOM 267 C CB . GLU A 0 33 . -15.000 14.292 -18.993 1.00 92.64 33 A 1 ATOM 268 O O . GLU A 0 33 . -12.468 15.102 -16.895 1.00 92.64 33 A 1 ATOM 269 C CG . GLU A 0 33 . -15.433 14.431 -20.461 1.00 92.64 33 A 1 ATOM 270 C CD . GLU A 0 33 . -16.954 14.487 -20.618 1.00 92.64 33 A 1 ATOM 271 O OE1 . GLU A 0 33 . -17.372 14.927 -21.705 1.00 92.64 33 A 1 ATOM 272 O OE2 . GLU A 0 33 . -17.640 14.038 -19.672 1.00 92.64 33 A 1 ATOM 273 N N . SER A 0 34 . -13.301 13.035 -16.683 1.00 91.51 34 A 1 ATOM 274 C CA . SER A 0 34 . -13.012 12.933 -15.247 1.00 91.51 34 A 1 ATOM 275 C C . SER A 0 34 . -11.518 12.889 -14.911 1.00 91.51 34 A 1 ATOM 276 C CB . SER A 0 34 . -13.752 11.750 -14.620 1.00 91.51 34 A 1 ATOM 277 O O . SER A 0 34 . -11.146 13.177 -13.774 1.00 91.51 34 A 1 ATOM 278 O OG . SER A 0 34 . -13.376 10.536 -15.227 1.00 91.51 34 A 1 ATOM 279 N N . ARG A 0 35 . -10.626 12.608 -15.874 1.00 92.45 35 A 1 ATOM 280 C CA . ARG A 0 35 . -9.165 12.706 -15.669 1.00 92.45 35 A 1 ATOM 281 C C . ARG A 0 35 . -8.697 14.129 -15.362 1.00 92.45 35 A 1 ATOM 282 C CB . ARG A 0 35 . -8.406 12.184 -16.896 1.00 92.45 35 A 1 ATOM 283 O O . ARG A 0 35 . -7.712 14.283 -14.644 1.00 92.45 35 A 1 ATOM 284 C CG . ARG A 0 35 . -8.478 10.658 -17.033 1.00 92.45 35 A 1 ATOM 285 C CD . ARG A 0 35 . -7.799 10.221 -18.334 1.00 92.45 35 A 1 ATOM 286 N NE . ARG A 0 35 . -8.211 8.864 -18.732 1.00 92.45 35 A 1 ATOM 287 N NH1 . ARG A 0 35 . -6.746 8.615 -20.493 1.00 92.45 35 A 1 ATOM 288 N NH2 . ARG A 0 35 . -8.231 7.011 -20.036 1.00 92.45 35 A 1 ATOM 289 C CZ . ARG A 0 35 . -7.723 8.173 -19.747 1.00 92.45 35 A 1 ATOM 290 N N . ARG A 0 36 . -9.396 15.153 -15.869 1.00 90.95 36 A 1 ATOM 291 C CA . ARG A 0 36 . -9.072 16.570 -15.611 1.00 90.95 36 A 1 ATOM 292 C C . ARG A 0 36 . -9.423 17.003 -14.185 1.00 90.95 36 A 1 ATOM 293 C CB . ARG A 0 36 . -9.773 17.472 -16.642 1.00 90.95 36 A 1 ATOM 294 O O . ARG A 0 36 . -8.864 17.979 -13.693 1.00 90.95 36 A 1 ATOM 295 C CG . ARG A 0 36 . -9.250 17.260 -18.072 1.00 90.95 36 A 1 ATOM 296 C CD . ARG A 0 36 . -9.965 18.205 -19.047 1.00 90.95 36 A 1 ATOM 297 N NE . ARG A 0 36 . -9.428 18.099 -20.419 1.00 90.95 36 A 1 ATOM 298 N NH1 . ARG A 0 36 . -10.894 19.566 -21.418 1.00 90.95 36 A 1 ATOM 299 N NH2 . ARG A 0 36 . -9.282 18.632 -22.633 1.00 90.95 36 A 1 ATOM 300 C CZ . ARG A 0 36 . -9.872 18.760 -21.477 1.00 90.95 36 A 1 ATOM 301 N N . LEU A 0 37 . -10.297 16.263 -13.499 1.00 89.91 37 A 1 ATOM 302 C CA . LEU A 0 37 . -10.655 16.528 -12.109 1.00 89.91 37 A 1 ATOM 303 C C . LEU A 0 37 . -9.482 16.166 -11.186 1.00 89.91 37 A 1 ATOM 304 C CB . LEU A 0 37 . -11.936 15.759 -11.731 1.00 89.91 37 A 1 ATOM 305 O O . LEU A 0 37 . -9.139 14.990 -11.024 1.00 89.91 37 A 1 ATOM 306 C CG . LEU A 0 37 . -13.181 16.108 -12.569 1.00 89.91 37 A 1 ATOM 307 C CD1 . LEU A 0 37 . -14.322 15.161 -12.201 1.00 89.91 37 A 1 ATOM 308 C CD2 . LEU A 0 37 . -13.644 17.546 -12.327 1.00 89.91 37 A 1 ATOM 309 N N . ARG A 0 38 . -8.891 17.194 -10.564 1.00 90.21 38 A 1 ATOM 310 C CA . ARG A 0 38 . -7.765 17.090 -9.613 1.00 90.21 38 A 1 ATOM 311 C C . ARG A 0 38 . -8.188 17.104 -8.138 1.00 90.21 38 A 1 ATOM 312 C CB . ARG A 0 38 . -6.732 18.199 -9.894 1.00 90.21 38 A 1 ATOM 313 O O . ARG A 0 38 . -7.335 17.130 -7.259 1.00 90.21 38 A 1 ATOM 314 C CG . ARG A 0 38 . -6.105 18.111 -11.293 1.00 90.21 38 A 1 ATOM 315 C CD . ARG A 0 38 . -5.023 19.186 -11.451 1.00 90.21 38 A 1 ATOM 316 N NE . ARG A 0 38 . -4.415 19.161 -12.795 1.00 90.21 38 A 1 ATOM 317 N NH1 . ARG A 0 38 . -2.740 20.686 -12.388 1.00 90.21 38 A 1 ATOM 318 N NH2 . ARG A 0 38 . -2.920 19.767 -14.408 1.00 90.21 38 A 1 ATOM 319 C CZ . ARG A 0 38 . -3.365 19.867 -13.187 1.00 90.21 38 A 1 ATOM 320 N N . ARG A 0 39 . -9.494 17.109 -7.854 1.00 89.35 39 A 1 ATOM 321 C CA . ARG A 0 39 . -10.013 17.076 -6.477 1.00 89.35 39 A 1 ATOM 322 C C . ARG A 0 39 . -9.690 15.731 -5.818 1.00 89.35 39 A 1 ATOM 323 C CB . ARG A 0 39 . -11.522 17.372 -6.450 1.00 89.35 39 A 1 ATOM 324 O O . ARG A 0 39 . -9.709 14.694 -6.481 1.00 89.35 39 A 1 ATOM 325 C CG . ARG A 0 39 . -11.856 18.795 -6.935 1.00 89.35 39 A 1 ATOM 326 C CD . ARG A 0 39 . -13.362 19.077 -6.824 1.00 89.35 39 A 1 ATOM 327 N NE . ARG A 0 39 . -13.709 20.429 -7.312 1.00 89.35 39 A 1 ATOM 328 N NH1 . ARG A 0 39 . -15.903 20.461 -6.615 1.00 89.35 39 A 1 ATOM 329 N NH2 . ARG A 0 39 . -15.065 22.227 -7.679 1.00 89.35 39 A 1 ATOM 330 C CZ . ARG A 0 39 . -14.885 21.028 -7.200 1.00 89.35 39 A 1 ATOM 331 N N . ILE A 0 40 . -9.420 15.753 -4.513 1.00 84.41 40 A 1 ATOM 332 C CA . ILE A 0 40 . -9.173 14.541 -3.725 1.00 84.41 40 A 1 ATOM 333 C C . ILE A 0 40 . -10.492 13.779 -3.578 1.00 84.41 40 A 1 ATOM 334 C CB . ILE A 0 40 . -8.546 14.880 -2.351 1.00 84.41 40 A 1 ATOM 335 O O . ILE A 0 40 . -11.490 14.332 -3.121 1.00 84.41 40 A 1 ATOM 336 C CG1 . ILE A 0 40 . -7.189 15.601 -2.539 1.00 84.41 40 A 1 ATOM 337 C CG2 . ILE A 0 40 . -8.361 13.603 -1.506 1.00 84.41 40 A 1 ATOM 338 C CD1 . ILE A 0 40 . -6.612 16.192 -1.248 1.00 84.41 40 A 1 ATOM 339 N N . ILE A 0 41 . -10.489 12.496 -3.943 1.00 80.48 41 A 1 ATOM 340 C CA . ILE A 0 41 . -11.612 11.599 -3.663 1.00 80.48 41 A 1 ATOM 341 C C . ILE A 0 41 . -11.449 11.114 -2.222 1.00 80.48 41 A 1 ATOM 342 C CB . ILE A 0 41 . -11.699 10.441 -4.683 1.00 80.48 41 A 1 ATOM 343 O O . ILE A 0 41 . -10.711 10.165 -1.953 1.00 80.48 41 A 1 ATOM 344 C CG1 . ILE A 0 41 . -11.761 10.981 -6.132 1.00 80.48 41 A 1 ATOM 345 C CG2 . ILE A 0 41 . -12.939 9.577 -4.372 1.00 80.48 41 A 1 ATOM 346 C CD1 . ILE A 0 41 . -11.735 9.889 -7.210 1.00 80.48 41 A 1 ATOM 347 N N . VAL A 0 42 . -12.109 11.790 -1.285 1.00 78.43 42 A 1 ATOM 348 C CA . VAL A 0 42 . -12.152 11.353 0.112 1.00 78.43 42 A 1 ATOM 349 C C . VAL A 0 42 . -13.120 10.178 0.199 1.00 78.43 42 A 1 ATOM 350 C CB . VAL A 0 42 . -12.547 12.498 1.065 1.00 78.43 42 A 1 ATOM 351 O O . VAL A 0 42 . -14.322 10.336 -0.001 1.00 78.43 42 A 1 ATOM 352 C CG1 . VAL A 0 42 . -12.475 12.035 2.526 1.00 78.43 42 A 1 ATOM 353 C CG2 . VAL A 0 42 . -11.604 13.699 0.904 1.00 78.43 42 A 1 ATOM 354 N N . LYS A 0 43 . -12.605 8.975 0.467 1.00 74.03 43 A 1 ATOM 355 C CA . LYS A 0 43 . -13.473 7.843 0.806 1.00 74.03 43 A 1 ATOM 356 C C . LYS A 0 43 . -14.007 8.053 2.227 1.00 74.03 43 A 1 ATOM 357 C CB . LYS A 0 43 . -12.738 6.503 0.686 1.00 74.03 43 A 1 ATOM 358 O O . LYS A 0 43 . -13.205 8.384 3.104 1.00 74.03 43 A 1 ATOM 359 C CG . LYS A 0 43 . -12.376 6.171 -0.768 1.00 74.03 43 A 1 ATOM 360 C CD . LYS A 0 43 . -11.681 4.806 -0.837 1.00 74.03 43 A 1 ATOM 361 C CE . LYS A 0 43 . -11.242 4.498 -2.273 1.00 74.03 43 A 1 ATOM 362 N NZ . LYS A 0 43 . -10.416 3.265 -2.322 1.00 74.03 43 A 1 ATOM 363 N N . PRO A 0 44 . -15.308 7.834 2.488 1.00 76.83 44 A 1 ATOM 364 C CA . PRO A 0 44 . -15.806 7.816 3.856 1.00 76.83 44 A 1 ATOM 365 C C . PRO A 0 44 . -15.044 6.748 4.646 1.00 76.83 44 A 1 ATOM 366 C CB . PRO A 0 44 . -17.310 7.541 3.759 1.00 76.83 44 A 1 ATOM 367 O O . PRO A 0 44 . -14.790 5.644 4.153 1.00 76.83 44 A 1 ATOM 368 C CG . PRO A 0 44 . -17.462 6.825 2.418 1.00 76.83 44 A 1 ATOM 369 C CD . PRO A 0 44 . -16.353 7.431 1.559 1.00 76.83 44 A 1 ATOM 370 N N . ARG A 0 45 . -14.630 7.094 5.866 1.00 72.95 45 A 1 ATOM 371 C CA . ARG A 0 45 . -13.890 6.187 6.742 1.00 72.95 45 A 1 ATOM 372 C C . ARG A 0 45 . -14.847 5.112 7.249 1.00 72.95 45 A 1 ATOM 373 C CB . ARG A 0 45 . -13.222 6.998 7.867 1.00 72.95 45 A 1 ATOM 374 O O . ARG A 0 45 . -15.510 5.294 8.264 1.00 72.95 45 A 1 ATOM 375 C CG . ARG A 0 45 . -12.126 6.202 8.591 1.00 72.95 45 A 1 ATOM 376 C CD . ARG A 0 45 . -11.550 7.046 9.736 1.00 72.95 45 A 1 ATOM 377 N NE . ARG A 0 45 . -10.285 6.489 10.252 1.00 72.95 45 A 1 ATOM 378 N NH1 . ARG A 0 45 . -10.285 7.560 12.286 1.00 72.95 45 A 1 ATOM 379 N NH2 . ARG A 0 45 . -8.568 6.247 11.728 1.00 72.95 45 A 1 ATOM 380 C CZ . ARG A 0 45 . -9.721 6.768 11.415 1.00 72.95 45 A 1 ATOM 381 N N . VAL A 0 46 . -14.933 3.996 6.535 1.00 75.33 46 A 1 ATOM 382 C CA . VAL A 0 46 . -15.675 2.824 7.005 1.00 75.33 46 A 1 ATOM 383 C C . VAL A 0 46 . -14.952 2.277 8.236 1.00 75.33 46 A 1 ATOM 384 C CB . VAL A 0 46 . -15.868 1.735 5.918 1.00 75.33 46 A 1 ATOM 385 O O . VAL A 0 46 . -13.775 1.917 8.157 1.00 75.33 46 A 1 ATOM 386 C CG1 . VAL A 0 46 . -17.362 1.440 5.754 1.00 75.33 46 A 1 ATOM 387 C CG2 . VAL A 0 46 . -15.303 2.094 4.533 1.00 75.33 46 A 1 ATOM 388 N N . LYS A 0 47 . -15.628 2.252 9.392 1.00 71.68 47 A 1 ATOM 389 C CA . LYS A 0 47 . -15.152 1.473 10.540 1.00 71.68 47 A 1 ATOM 390 C C . LYS A 0 47 . -15.153 0.017 10.085 1.00 71.68 47 A 1 ATOM 391 C CB . LYS A 0 47 . -16.046 1.671 11.778 1.00 71.68 47 A 1 ATOM 392 O O . LYS A 0 47 . -16.188 -0.497 9.680 1.00 71.68 47 A 1 ATOM 393 C CG . LYS A 0 47 . -15.924 3.071 12.406 1.00 71.68 47 A 1 ATOM 394 C CD . LYS A 0 47 . -16.797 3.174 13.670 1.00 71.68 47 A 1 ATOM 395 C CE . LYS A 0 47 . -16.729 4.574 14.303 1.00 71.68 47 A 1 ATOM 396 N NZ . LYS A 0 47 . -17.598 4.677 15.509 1.00 71.68 47 A 1 ATOM 397 N N . PHE A 0 48 . -13.987 -0.615 10.080 1.00 71.30 48 A 1 ATOM 398 C CA . PHE A 0 48 . -13.850 -2.008 9.679 1.00 71.30 48 A 1 ATOM 399 C C . PHE A 0 48 . -14.485 -2.902 10.750 1.00 71.30 48 A 1 ATOM 400 C CB . PHE A 0 48 . -12.357 -2.288 9.446 1.00 71.30 48 A 1 ATOM 401 O O . PHE A 0 48 . -13.813 -3.311 11.695 1.00 71.30 48 A 1 ATOM 402 C CG . PHE A 0 48 . -12.031 -3.671 8.919 1.00 71.30 48 A 1 ATOM 403 C CD1 . PHE A 0 48 . -11.321 -4.584 9.718 1.00 71.30 48 A 1 ATOM 404 C CD2 . PHE A 0 48 . -12.366 -4.016 7.597 1.00 71.30 48 A 1 ATOM 405 C CE1 . PHE A 0 48 . -10.908 -5.811 9.172 1.00 71.30 48 A 1 ATOM 406 C CE2 . PHE A 0 48 . -12.004 -5.271 7.077 1.00 71.30 48 A 1 ATOM 407 C CZ . PHE A 0 48 . -11.272 -6.171 7.866 1.00 71.30 48 A 1 ATOM 408 N N . SER A 0 49 . -15.784 -3.179 10.639 1.00 74.71 49 A 1 ATOM 409 C CA . SER A 0 49 . -16.377 -4.345 11.284 1.00 74.71 49 A 1 ATOM 410 C C . SER A 0 49 . -15.994 -5.554 10.437 1.00 74.71 49 A 1 ATOM 411 C CB . SER A 0 49 . -17.898 -4.209 11.452 1.00 74.71 49 A 1 ATOM 412 O O . SER A 0 49 . -16.410 -5.691 9.287 1.00 74.71 49 A 1 ATOM 413 O OG . SER A 0 49 . -18.520 -3.754 10.268 1.00 74.71 49 A 1 ATOM 414 N N . ARG A 0 50 . -15.141 -6.427 10.977 1.00 71.62 50 A 1 ATOM 415 C CA . ARG A 0 50 . -14.975 -7.753 10.377 1.00 71.62 50 A 1 ATOM 416 C C . ARG A 0 50 . -16.320 -8.467 10.514 1.00 71.62 50 A 1 ATOM 417 C CB . ARG A 0 50 . -13.867 -8.560 11.071 1.00 71.62 50 A 1 ATOM 418 O O . ARG A 0 50 . -16.875 -8.420 11.614 1.00 71.62 50 A 1 ATOM 419 C CG . ARG A 0 50 . -12.497 -7.916 10.856 1.00 71.62 50 A 1 ATOM 420 C CD . ARG A 0 50 . -11.369 -8.697 11.545 1.00 71.62 50 A 1 ATOM 421 N NE . ARG A 0 50 . -10.231 -7.819 11.891 1.00 71.62 50 A 1 ATOM 422 N NH1 . ARG A 0 50 . -8.589 -9.424 11.979 1.00 71.62 50 A 1 ATOM 423 N NH2 . ARG A 0 50 . -8.088 -7.310 12.473 1.00 71.62 50 A 1 ATOM 424 C CZ . ARG A 0 50 . -8.979 -8.188 12.107 1.00 71.62 50 A 1 ATOM 425 N N . PRO A 0 51 . -16.852 -9.113 9.465 1.00 77.28 51 A 1 ATOM 426 C CA . PRO A 0 51 . -17.945 -10.049 9.667 1.00 77.28 51 A 1 ATOM 427 C C . PRO A 0 51 . -17.436 -11.137 10.618 1.00 77.28 51 A 1 ATOM 428 C CB . PRO A 0 51 . -18.312 -10.565 8.273 1.00 77.28 51 A 1 ATOM 429 O O . PRO A 0 51 . -16.456 -11.821 10.323 1.00 77.28 51 A 1 ATOM 430 C CG . PRO A 0 51 . -17.024 -10.398 7.466 1.00 77.28 51 A 1 ATOM 431 C CD . PRO A 0 51 . -16.350 -9.181 8.100 1.00 77.28 51 A 1 ATOM 432 N N . VAL A 0 52 . -18.039 -11.228 11.801 1.00 77.93 52 A 1 ATOM 433 C CA . VAL A 0 52 . -17.809 -12.343 12.718 1.00 77.93 52 A 1 ATOM 434 C C . VAL A 0 52 . -18.630 -13.526 12.207 1.00 77.93 52 A 1 ATOM 435 C CB . VAL A 0 52 . -18.160 -12.006 14.183 1.00 77.93 52 A 1 ATOM 436 O O . VAL A 0 52 . -19.827 -13.352 11.972 1.00 77.93 52 A 1 ATOM 437 C CG1 . VAL A 0 52 . -16.953 -11.356 14.871 1.00 77.93 52 A 1 ATOM 438 C CG2 . VAL A 0 52 . -19.365 -11.067 14.347 1.00 77.93 52 A 1 ATOM 439 N N . PRO A 0 53 . -18.027 -14.706 11.986 1.00 81.15 53 A 1 ATOM 440 C CA . PRO A 0 53 . -18.810 -15.893 11.679 1.00 81.15 53 A 1 ATOM 441 C C . PRO A 0 53 . -19.720 -16.216 12.877 1.00 81.15 53 A 1 ATOM 442 C CB . PRO A 0 53 . -17.791 -16.998 11.388 1.00 81.15 53 A 1 ATOM 443 O O . PRO A 0 53 . -19.300 -16.009 14.023 1.00 81.15 53 A 1 ATOM 444 C CG . PRO A 0 53 . -16.562 -16.570 12.192 1.00 81.15 53 A 1 ATOM 445 C CD . PRO A 0 53 . -16.622 -15.044 12.160 1.00 81.15 53 A 1 ATOM 446 N N . PRO A 0 54 . -20.956 -16.698 12.652 1.00 80.52 54 A 1 ATOM 447 C CA . PRO A 0 54 . -21.789 -17.180 13.745 1.00 80.52 54 A 1 ATOM 448 C C . PRO A 0 54 . -21.061 -18.326 14.459 1.00 80.52 54 A 1 ATOM 449 C CB . PRO A 0 54 . -23.113 -17.608 13.102 1.00 80.52 54 A 1 ATOM 450 O O . PRO A 0 54 . -20.495 -19.207 13.809 1.00 80.52 54 A 1 ATOM 451 C CG . PRO A 0 54 . -22.722 -17.949 11.663 1.00 80.52 54 A 1 ATOM 452 C CD . PRO A 0 54 . -21.571 -16.989 11.365 1.00 80.52 54 A 1 ATOM 453 N N . LYS A 0 55 . -21.034 -18.293 15.795 1.00 78.57 55 A 1 ATOM 454 C CA . LYS A 0 55 . -20.605 -19.448 16.591 1.00 78.57 55 A 1 ATOM 455 C C . LYS A 0 55 . -21.658 -20.545 16.406 1.00 78.57 55 A 1 ATOM 456 C CB . LYS A 0 55 . -20.448 -19.072 18.073 1.00 78.57 55 A 1 ATOM 457 O O . LYS A 0 55 . -22.843 -20.244 16.546 1.00 78.57 55 A 1 ATOM 458 C CG . LYS A 0 55 . -19.200 -18.216 18.346 1.00 78.57 55 A 1 ATOM 459 C CD . LYS A 0 55 . -19.116 -17.868 19.839 1.00 78.57 55 A 1 ATOM 460 C CE . LYS A 0 55 . -17.824 -17.110 20.163 1.00 78.57 55 A 1 ATOM 461 N NZ . LYS A 0 55 . -17.766 -16.763 21.605 1.00 78.57 55 A 1 ATOM 462 N N . ALA A 0 56 . -21.215 -21.744 16.030 1.00 75.41 56 A 1 ATOM 463 C CA . ALA A 0 56 . -22.033 -22.954 16.084 1.00 75.41 56 A 1 ATOM 464 C C . ALA A 0 56 . -22.439 -23.271 17.530 1.00 75.41 56 A 1 ATOM 465 C CB . ALA A 0 56 . -21.260 -24.112 15.437 1.00 75.41 56 A 1 ATOM 466 O O . ALA A 0 56 . -21.685 -22.859 18.447 1.00 75.41 56 A 1 ATOM 467 O OXT . ALA A 0 56 . -23.493 -23.921 17.658 1.00 75.41 56 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 87.11 # loop_ _atom_type.symbol C N O S #