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 THR 0 3 ARG 0 4 LYS 0 5 ARG 0 6 ARG 0 7 ASN 0 8 HIS 0 9 GLY 0 10 ARG 0 11 SER 0 12 LYS 0 13 LYS 0 14 GLY 0 15 ARG 0 16 GLY 0 17 HIS 0 18 VAL 0 19 GLY 0 20 PHE 0 21 ILE 0 22 ARG 0 23 CYS 0 24 THR 0 25 ASN 0 26 CYS 0 27 GLY 0 28 ARG 0 29 ALA 0 30 CYS 0 31 PRO 0 32 LYS 0 33 ASP 0 34 LYS 0 35 SER 0 36 VAL 0 37 TRP 0 38 LYS 0 39 LEU 0 40 VAL 0 41 THR 0 42 ARG 0 43 SER 0 44 MET 0 45 VAL 0 46 GLU 0 47 ALA 0 48 ALA 0 49 ALA 0 50 VAL 0 51 LYS 0 52 ASP 0 53 LEU 0 54 GLU 0 55 ASP 0 56 ALA 0 57 SER 0 58 VAL 0 59 TYR 0 60 GLY 0 61 SER 0 62 TRP 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 . 20.522 -8.625 -23.984 1.00 77.78 1 A 1 ATOM 2 C CA . MET A 0 1 . 19.389 -8.464 -23.039 1.00 77.78 1 A 1 ATOM 3 C C . MET A 0 1 . 18.151 -8.079 -23.838 1.00 77.78 1 A 1 ATOM 4 C CB . MET A 0 1 . 19.718 -7.403 -21.971 1.00 77.78 1 A 1 ATOM 5 O O . MET A 0 1 . 18.236 -7.158 -24.639 1.00 77.78 1 A 1 ATOM 6 C CG . MET A 0 1 . 18.666 -7.315 -20.858 1.00 77.78 1 A 1 ATOM 7 S SD . MET A 0 1 . 19.045 -6.074 -19.588 1.00 77.78 1 A 1 ATOM 8 C CE . MET A 0 1 . 19.576 -7.128 -18.208 1.00 77.78 1 A 1 ATOM 9 N N . THR A 0 2 . 17.032 -8.787 -23.685 1.00 90.54 2 A 1 ATOM 10 C CA . THR A 0 2 . 15.810 -8.525 -24.465 1.00 90.54 2 A 1 ATOM 11 C C . THR A 0 2 . 14.922 -7.474 -23.794 1.00 90.54 2 A 1 ATOM 12 C CB . THR A 0 2 . 15.025 -9.821 -24.729 1.00 90.54 2 A 1 ATOM 13 O O . THR A 0 2 . 14.868 -7.347 -22.568 1.00 90.54 2 A 1 ATOM 14 C CG2 . THR A 0 2 . 15.796 -10.778 -25.636 1.00 90.54 2 A 1 ATOM 15 O OG1 . THR A 0 2 . 14.796 -10.490 -23.513 1.00 90.54 2 A 1 ATOM 16 N N . ARG A 0 3 . 14.203 -6.683 -24.597 1.00 89.64 3 A 1 ATOM 17 C CA . ARG A 0 3 . 13.247 -5.693 -24.086 1.00 89.64 3 A 1 ATOM 18 C C . ARG A 0 3 . 11.964 -6.396 -23.642 1.00 89.64 3 A 1 ATOM 19 C CB . ARG A 0 3 . 12.986 -4.636 -25.168 1.00 89.64 3 A 1 ATOM 20 O O . ARG A 0 3 . 11.133 -6.739 -24.472 1.00 89.64 3 A 1 ATOM 21 C CG . ARG A 0 3 . 12.055 -3.504 -24.696 1.00 89.64 3 A 1 ATOM 22 C CD . ARG A 0 3 . 11.853 -2.548 -25.872 1.00 89.64 3 A 1 ATOM 23 N NE . ARG A 0 3 . 11.014 -1.373 -25.562 1.00 89.64 3 A 1 ATOM 24 N NH1 . ARG A 0 3 . 10.552 -0.888 -27.767 1.00 89.64 3 A 1 ATOM 25 N NH2 . ARG A 0 3 . 9.972 0.556 -26.216 1.00 89.64 3 A 1 ATOM 26 C CZ . ARG A 0 3 . 10.518 -0.582 -26.501 1.00 89.64 3 A 1 ATOM 27 N N . LYS A 0 4 . 11.756 -6.531 -22.327 1.00 91.87 4 A 1 ATOM 28 C CA . LYS A 0 4 . 10.556 -7.194 -21.776 1.00 91.87 4 A 1 ATOM 29 C C . LYS A 0 4 . 9.234 -6.468 -22.092 1.00 91.87 4 A 1 ATOM 30 C CB . LYS A 0 4 . 10.751 -7.436 -20.264 1.00 91.87 4 A 1 ATOM 31 O O . LYS A 0 4 . 8.221 -7.125 -22.282 1.00 91.87 4 A 1 ATOM 32 C CG . LYS A 0 4 . 9.663 -8.346 -19.658 1.00 91.87 4 A 1 ATOM 33 C CD . LYS A 0 4 . 9.927 -8.691 -18.181 1.00 91.87 4 A 1 ATOM 34 C CE . LYS A 0 4 . 8.817 -9.616 -17.650 1.00 91.87 4 A 1 ATOM 35 N NZ . LYS A 0 4 . 9.114 -10.166 -16.298 1.00 91.87 4 A 1 ATOM 36 N N . ARG A 0 5 . 9.194 -5.122 -22.089 1.00 90.90 5 A 1 ATOM 37 C CA . ARG A 0 5 . 7.959 -4.322 -22.305 1.00 90.90 5 A 1 ATOM 38 C C . ARG A 0 5 . 8.240 -3.020 -23.061 1.00 90.90 5 A 1 ATOM 39 C CB . ARG A 0 5 . 7.258 -3.988 -20.965 1.00 90.90 5 A 1 ATOM 40 O O . ARG A 0 5 . 9.231 -2.355 -22.761 1.00 90.90 5 A 1 ATOM 41 C CG . ARG A 0 5 . 6.874 -5.217 -20.121 1.00 90.90 5 A 1 ATOM 42 C CD . ARG A 0 5 . 6.151 -4.870 -18.809 1.00 90.90 5 A 1 ATOM 43 N NE . ARG A 0 5 . 4.701 -4.628 -18.993 1.00 90.90 5 A 1 ATOM 44 N NH1 . ARG A 0 5 . 3.884 -6.017 -17.330 1.00 90.90 5 A 1 ATOM 45 N NH2 . ARG A 0 5 . 2.466 -4.860 -18.575 1.00 90.90 5 A 1 ATOM 46 C CZ . ARG A 0 5 . 3.702 -5.166 -18.302 1.00 90.90 5 A 1 ATOM 47 N N . ARG A 0 6 . 7.314 -2.584 -23.934 1.00 89.87 6 A 1 ATOM 48 C CA . ARG A 0 6 . 7.412 -1.317 -24.698 1.00 89.87 6 A 1 ATOM 49 C C . ARG A 0 6 . 7.638 -0.097 -23.788 1.00 89.87 6 A 1 ATOM 50 C CB . ARG A 0 6 . 6.180 -1.151 -25.622 1.00 89.87 6 A 1 ATOM 51 O O . ARG A 0 6 . 8.545 0.688 -24.018 1.00 89.87 6 A 1 ATOM 52 C CG . ARG A 0 6 . 6.328 -0.039 -26.685 1.00 89.87 6 A 1 ATOM 53 C CD . ARG A 0 6 . 5.113 -0.002 -27.634 1.00 89.87 6 A 1 ATOM 54 N NE . ARG A 0 6 . 5.271 0.977 -28.736 1.00 89.87 6 A 1 ATOM 55 N NH1 . ARG A 0 6 . 3.661 0.130 -30.162 1.00 89.87 6 A 1 ATOM 56 N NH2 . ARG A 0 6 . 4.848 1.899 -30.789 1.00 89.87 6 A 1 ATOM 57 C CZ . ARG A 0 6 . 4.596 0.996 -29.882 1.00 89.87 6 A 1 ATOM 58 N N . ASN A 0 7 . 6.902 0.022 -22.686 1.00 87.81 7 A 1 ATOM 59 C CA . ASN A 0 7 . 7.001 1.198 -21.805 1.00 87.81 7 A 1 ATOM 60 C C . ASN A 0 7 . 8.010 1.053 -20.648 1.00 87.81 7 A 1 ATOM 61 C CB . ASN A 0 7 . 5.587 1.580 -21.321 1.00 87.81 7 A 1 ATOM 62 O O . ASN A 0 7 . 8.043 1.908 -19.772 1.00 87.81 7 A 1 ATOM 63 C CG . ASN A 0 7 . 4.681 2.048 -22.449 1.00 87.81 7 A 1 ATOM 64 N ND2 . ASN A 0 7 . 3.388 2.073 -22.231 1.00 87.81 7 A 1 ATOM 65 O OD1 . ASN A 0 7 . 5.110 2.358 -23.545 1.00 87.81 7 A 1 ATOM 66 N N . HIS A 0 8 . 8.787 -0.037 -20.565 1.00 87.70 8 A 1 ATOM 67 C CA . HIS A 0 8 . 9.725 -0.307 -19.451 1.00 87.70 8 A 1 ATOM 68 C C . HIS A 0 8 . 9.105 -0.269 -18.030 1.00 87.70 8 A 1 ATOM 69 C CB . HIS A 0 8 . 10.971 0.590 -19.580 1.00 87.70 8 A 1 ATOM 70 O O . HIS A 0 8 . 9.822 -0.180 -17.031 1.00 87.70 8 A 1 ATOM 71 C CG . HIS A 0 8 . 11.664 0.438 -20.909 1.00 87.70 8 A 1 ATOM 72 C CD2 . HIS A 0 8 . 11.417 1.160 -22.046 1.00 87.70 8 A 1 ATOM 73 N ND1 . HIS A 0 8 . 12.629 -0.494 -21.223 1.00 87.70 8 A 1 ATOM 74 C CE1 . HIS A 0 8 . 12.959 -0.330 -22.514 1.00 87.70 8 A 1 ATOM 75 N NE2 . HIS A 0 8 . 12.212 0.635 -23.069 1.00 87.70 8 A 1 ATOM 76 N N . GLY A 0 9 . 7.771 -0.347 -17.932 1.00 86.07 9 A 1 ATOM 77 C CA . GLY A 0 9 . 7.028 -0.190 -16.676 1.00 86.07 9 A 1 ATOM 78 C C . GLY A 0 9 . 7.022 1.243 -16.135 1.00 86.07 9 A 1 ATOM 79 O O . GLY A 0 9 . 6.914 1.421 -14.930 1.00 86.07 9 A 1 ATOM 80 N N . ARG A 0 10 . 7.204 2.247 -16.997 1.00 90.47 10 A 1 ATOM 81 C CA . ARG A 0 10 . 7.345 3.655 -16.619 1.00 90.47 10 A 1 ATOM 82 C C . ARG A 0 10 . 6.348 4.529 -17.366 1.00 90.47 10 A 1 ATOM 83 C CB . ARG A 0 10 . 8.787 4.099 -16.910 1.00 90.47 10 A 1 ATOM 84 O O . ARG A 0 10 . 6.194 4.405 -18.581 1.00 90.47 10 A 1 ATOM 85 C CG . ARG A 0 10 . 9.785 3.493 -15.907 1.00 90.47 10 A 1 ATOM 86 C CD . ARG A 0 10 . 11.182 4.125 -16.015 1.00 90.47 10 A 1 ATOM 87 N NE . ARG A 0 10 . 11.178 5.477 -15.441 1.00 90.47 10 A 1 ATOM 88 N NH1 . ARG A 0 10 . 13.407 5.991 -15.444 1.00 90.47 10 A 1 ATOM 89 N NH2 . ARG A 0 10 . 11.925 7.382 -14.486 1.00 90.47 10 A 1 ATOM 90 C CZ . ARG A 0 10 . 12.172 6.278 -15.132 1.00 90.47 10 A 1 ATOM 91 N N . SER A 0 11 . 5.735 5.477 -16.663 1.00 87.42 11 A 1 ATOM 92 C CA . SER A 0 11 . 4.949 6.562 -17.272 1.00 87.42 11 A 1 ATOM 93 C C . SER A 0 11 . 5.848 7.757 -17.627 1.00 87.42 11 A 1 ATOM 94 C CB . SER A 0 11 . 3.756 6.929 -16.385 1.00 87.42 11 A 1 ATOM 95 O O . SER A 0 11 . 5.659 8.886 -17.170 1.00 87.42 11 A 1 ATOM 96 O OG . SER A 0 11 . 2.873 7.766 -17.109 1.00 87.42 11 A 1 ATOM 97 N N . LYS A 0 12 . 6.897 7.507 -18.417 1.00 84.52 12 A 1 ATOM 98 C CA . LYS A 0 12 . 7.876 8.518 -18.843 1.00 84.52 12 A 1 ATOM 99 C C . LYS A 0 12 . 7.764 8.722 -20.357 1.00 84.52 12 A 1 ATOM 100 C CB . LYS A 0 12 . 9.270 8.116 -18.321 1.00 84.52 12 A 1 ATOM 101 O O . LYS A 0 12 . 8.492 8.110 -21.128 1.00 84.52 12 A 1 ATOM 102 C CG . LYS A 0 12 . 10.336 9.190 -18.588 1.00 84.52 12 A 1 ATOM 103 C CD . LYS A 0 12 . 11.654 8.903 -17.845 1.00 84.52 12 A 1 ATOM 104 C CE . LYS A 0 12 . 12.820 9.596 -18.563 1.00 84.52 12 A 1 ATOM 105 N NZ . LYS A 0 12 . 14.014 9.800 -17.713 1.00 84.52 12 A 1 ATOM 106 N N . LYS A 0 13 . 6.794 9.544 -20.774 1.00 86.21 13 A 1 ATOM 107 C CA . LYS A 0 13 . 6.552 9.930 -22.176 1.00 86.21 13 A 1 ATOM 108 C C . LYS A 0 13 . 7.033 11.369 -22.387 1.00 86.21 13 A 1 ATOM 109 C CB . LYS A 0 13 . 5.052 9.808 -22.514 1.00 86.21 13 A 1 ATOM 110 O O . LYS A 0 13 . 6.344 12.290 -21.972 1.00 86.21 13 A 1 ATOM 111 C CG . LYS A 0 13 . 4.470 8.387 -22.412 1.00 86.21 13 A 1 ATOM 112 C CD . LYS A 0 13 . 3.000 8.407 -22.866 1.00 86.21 13 A 1 ATOM 113 C CE . LYS A 0 13 . 2.323 7.033 -22.766 1.00 86.21 13 A 1 ATOM 114 N NZ . LYS A 0 13 . 0.912 7.099 -23.238 1.00 86.21 13 A 1 ATOM 115 N N . GLY A 0 14 . 8.247 11.560 -22.906 1.00 84.22 14 A 1 ATOM 116 C CA . GLY A 0 14 . 8.829 12.896 -23.147 1.00 84.22 14 A 1 ATOM 117 C C . GLY A 0 14 . 9.243 13.683 -21.894 1.00 84.22 14 A 1 ATOM 118 O O . GLY A 0 14 . 9.817 14.757 -22.003 1.00 84.22 14 A 1 ATOM 119 N N . ARG A 0 15 . 9.003 13.147 -20.690 1.00 80.69 15 A 1 ATOM 120 C CA . ARG A 0 15 . 9.511 13.729 -19.441 1.00 80.69 15 A 1 ATOM 121 C C . ARG A 0 15 . 10.960 13.309 -19.230 1.00 80.69 15 A 1 ATOM 122 C CB . ARG A 0 15 . 8.606 13.364 -18.253 1.00 80.69 15 A 1 ATOM 123 O O . ARG A 0 15 . 11.271 12.136 -19.418 1.00 80.69 15 A 1 ATOM 124 C CG . ARG A 0 15 . 7.204 13.967 -18.444 1.00 80.69 15 A 1 ATOM 125 C CD . ARG A 0 15 . 6.361 13.941 -17.165 1.00 80.69 15 A 1 ATOM 126 N NE . ARG A 0 15 . 5.888 12.585 -16.805 1.00 80.69 15 A 1 ATOM 127 N NH1 . ARG A 0 15 . 3.762 13.182 -16.150 1.00 80.69 15 A 1 ATOM 128 N NH2 . ARG A 0 15 . 4.369 11.052 -16.059 1.00 80.69 15 A 1 ATOM 129 C CZ . ARG A 0 15 . 4.686 12.282 -16.341 1.00 80.69 15 A 1 ATOM 130 N N . GLY A 0 16 . 11.817 14.243 -18.820 1.00 86.16 16 A 1 ATOM 131 C CA . GLY A 0 16 . 13.213 13.994 -18.453 1.00 86.16 16 A 1 ATOM 132 C C . GLY A 0 16 . 13.341 13.187 -17.156 1.00 86.16 16 A 1 ATOM 133 O O . GLY A 0 16 . 12.761 12.109 -16.999 1.00 86.16 16 A 1 ATOM 134 N N . HIS A 0 17 . 14.138 13.659 -16.205 1.00 87.37 17 A 1 ATOM 135 C CA . HIS A 0 17 . 14.190 13.032 -14.887 1.00 87.37 17 A 1 ATOM 136 C C . HIS A 0 17 . 12.897 13.330 -14.104 1.00 87.37 17 A 1 ATOM 137 C CB . HIS A 0 17 . 15.465 13.462 -14.158 1.00 87.37 17 A 1 ATOM 138 O O . HIS A 0 17 . 12.432 14.463 -14.075 1.00 87.37 17 A 1 ATOM 139 C CG . HIS A 0 17 . 15.701 12.587 -12.965 1.00 87.37 17 A 1 ATOM 140 C CD2 . HIS A 0 17 . 16.425 11.426 -12.933 1.00 87.37 17 A 1 ATOM 141 N ND1 . HIS A 0 17 . 15.078 12.718 -11.751 1.00 87.37 17 A 1 ATOM 142 C CE1 . HIS A 0 17 . 15.382 11.642 -11.016 1.00 87.37 17 A 1 ATOM 143 N NE2 . HIS A 0 17 . 16.182 10.811 -11.707 1.00 87.37 17 A 1 ATOM 144 N N . VAL A 0 18 . 12.292 12.309 -13.491 1.00 87.97 18 A 1 ATOM 145 C CA . VAL A 0 18 . 11.088 12.463 -12.657 1.00 87.97 18 A 1 ATOM 146 C C . VAL A 0 18 . 11.519 12.387 -11.197 1.00 87.97 18 A 1 ATOM 147 C CB . VAL A 0 18 . 10.020 11.399 -12.985 1.00 87.97 18 A 1 ATOM 148 O O . VAL A 0 18 . 12.372 11.567 -10.868 1.00 87.97 18 A 1 ATOM 149 C CG1 . VAL A 0 18 . 8.752 11.584 -12.142 1.00 87.97 18 A 1 ATOM 150 C CG2 . VAL A 0 18 . 9.594 11.456 -14.461 1.00 87.97 18 A 1 ATOM 151 N N . GLY A 0 19 . 10.933 13.217 -10.331 1.00 90.38 19 A 1 ATOM 152 C CA . GLY A 0 19 . 11.208 13.195 -8.893 1.00 90.38 19 A 1 ATOM 153 C C . GLY A 0 19 . 11.085 11.795 -8.276 1.00 90.38 19 A 1 ATOM 154 O O . GLY A 0 19 . 10.249 10.976 -8.683 1.00 90.38 19 A 1 ATOM 155 N N . PHE A 0 20 . 11.947 11.522 -7.299 1.00 92.32 20 A 1 ATOM 156 C CA . PHE A 0 20 . 11.939 10.269 -6.554 1.00 92.32 20 A 1 ATOM 157 C C . PHE A 0 20 . 10.943 10.319 -5.396 1.00 92.32 20 A 1 ATOM 158 C CB . PHE A 0 20 . 13.348 9.933 -6.055 1.00 92.32 20 A 1 ATOM 159 O O . PHE A 0 20 . 10.749 11.354 -4.768 1.00 92.32 20 A 1 ATOM 160 C CG . PHE A 0 20 . 14.339 9.622 -7.158 1.00 92.32 20 A 1 ATOM 161 C CD1 . PHE A 0 20 . 14.230 8.415 -7.874 1.00 92.32 20 A 1 ATOM 162 C CD2 . PHE A 0 20 . 15.390 10.513 -7.444 1.00 92.32 20 A 1 ATOM 163 C CE1 . PHE A 0 20 . 15.160 8.101 -8.880 1.00 92.32 20 A 1 ATOM 164 C CE2 . PHE A 0 20 . 16.340 10.182 -8.424 1.00 92.32 20 A 1 ATOM 165 C CZ . PHE A 0 20 . 16.218 8.985 -9.151 1.00 92.32 20 A 1 ATOM 166 N N . ILE A 0 21 . 10.347 9.166 -5.104 1.00 92.38 21 A 1 ATOM 167 C CA . ILE A 0 21 . 9.507 8.909 -3.935 1.00 92.38 21 A 1 ATOM 168 C C . ILE A 0 21 . 10.150 7.768 -3.142 1.00 92.38 21 A 1 ATOM 169 C CB . ILE A 0 21 . 8.053 8.604 -4.364 1.00 92.38 21 A 1 ATOM 170 O O . ILE A 0 21 . 10.772 6.868 -3.713 1.00 92.38 21 A 1 ATOM 171 C CG1 . ILE A 0 21 . 7.457 9.831 -5.091 1.00 92.38 21 A 1 ATOM 172 C CG2 . ILE A 0 21 . 7.181 8.217 -3.154 1.00 92.38 21 A 1 ATOM 173 C CD1 . ILE A 0 21 . 6.038 9.620 -5.624 1.00 92.38 21 A 1 ATOM 174 N N . ARG A 0 22 . 10.019 7.806 -1.817 1.00 94.42 22 A 1 ATOM 175 C CA . ARG A 0 22 . 10.485 6.744 -0.921 1.00 94.42 22 A 1 ATOM 176 C C . ARG A 0 22 . 9.390 5.693 -0.736 1.00 94.42 22 A 1 ATOM 177 C CB . ARG A 0 22 . 10.927 7.372 0.412 1.00 94.42 22 A 1 ATOM 178 O O . ARG A 0 22 . 8.234 6.034 -0.519 1.00 94.42 22 A 1 ATOM 179 C CG . ARG A 0 22 . 12.170 8.274 0.278 1.00 94.42 22 A 1 ATOM 180 C CD . ARG A 0 22 . 13.421 7.425 0.043 1.00 94.42 22 A 1 ATOM 181 N NE . ARG A 0 22 . 14.662 8.214 -0.023 1.00 94.42 22 A 1 ATOM 182 N NH1 . ARG A 0 22 . 16.084 6.411 -0.078 1.00 94.42 22 A 1 ATOM 183 N NH2 . ARG A 0 22 . 16.927 8.478 -0.016 1.00 94.42 22 A 1 ATOM 184 C CZ . ARG A 0 22 . 15.881 7.701 -0.046 1.00 94.42 22 A 1 ATOM 185 N N . CYS A 0 23 . 9.749 4.416 -0.850 1.00 93.77 23 A 1 ATOM 186 C CA . CYS A 0 23 . 8.831 3.312 -0.563 1.00 93.77 23 A 1 ATOM 187 C C . CYS A 0 23 . 8.456 3.289 0.928 1.00 93.77 23 A 1 ATOM 188 C CB . CYS A 0 23 . 9.507 2.003 -0.988 1.00 93.77 23 A 1 ATOM 189 O O . CYS A 0 23 . 9.343 3.406 1.770 1.00 93.77 23 A 1 ATOM 190 S SG . CYS A 0 23 . 8.389 0.599 -0.706 1.00 93.77 23 A 1 ATOM 191 N N . THR A 0 24 . 7.179 3.064 1.247 1.00 92.63 24 A 1 ATOM 192 C CA . THR A 0 24 . 6.675 2.982 2.631 1.00 92.63 24 A 1 ATOM 193 C C . THR A 0 24 . 7.224 1.784 3.402 1.00 92.63 24 A 1 ATOM 194 C CB . THR A 0 24 . 5.140 2.891 2.640 1.00 92.63 24 A 1 ATOM 195 O O . THR A 0 24 . 7.410 1.877 4.606 1.00 92.63 24 A 1 ATOM 196 C CG2 . THR A 0 24 . 4.500 4.182 2.127 1.00 92.63 24 A 1 ATOM 197 O OG1 . THR A 0 24 . 4.722 1.836 1.792 1.00 92.63 24 A 1 ATOM 198 N N . ASN A 0 25 . 7.508 0.669 2.718 1.00 93.53 25 A 1 ATOM 199 C CA . ASN A 0 25 . 7.893 -0.579 3.386 1.00 93.53 25 A 1 ATOM 200 C C . ASN A 0 25 . 9.412 -0.718 3.554 1.00 93.53 25 A 1 ATOM 201 C CB . ASN A 0 25 . 7.323 -1.780 2.608 1.00 93.53 25 A 1 ATOM 202 O O . ASN A 0 25 . 9.871 -1.265 4.546 1.00 93.53 25 A 1 ATOM 203 C CG . ASN A 0 25 . 5.805 -1.825 2.535 1.00 93.53 25 A 1 ATOM 204 N ND2 . ASN A 0 25 . 5.261 -2.859 1.940 1.00 93.53 25 A 1 ATOM 205 O OD1 . ASN A 0 25 . 5.084 -0.934 2.949 1.00 93.53 25 A 1 ATOM 206 N N . CYS A 0 26 . 10.198 -0.269 2.568 1.00 94.47 26 A 1 ATOM 207 C CA . CYS A 0 26 . 11.652 -0.484 2.540 1.00 94.47 26 A 1 ATOM 208 C C . CYS A 0 26 . 12.486 0.800 2.426 1.00 94.47 26 A 1 ATOM 209 C CB . CYS A 0 26 . 11.988 -1.494 1.428 1.00 94.47 26 A 1 ATOM 210 O O . CYS A 0 26 . 13.706 0.718 2.328 1.00 94.47 26 A 1 ATOM 211 S SG . CYS A 0 26 . 11.581 -0.855 -0.230 1.00 94.47 26 A 1 ATOM 212 N N . GLY A 0 27 . 11.867 1.985 2.337 1.00 91.86 27 A 1 ATOM 213 C CA . GLY A 0 27 . 12.582 3.267 2.235 1.00 91.86 27 A 1 ATOM 214 C C . GLY A 0 27 . 13.396 3.471 0.946 1.00 91.86 27 A 1 ATOM 215 O O . GLY A 0 27 . 14.055 4.501 0.768 1.00 91.86 27 A 1 ATOM 216 N N . ARG A 0 28 . 13.371 2.523 0.001 1.00 93.84 28 A 1 ATOM 217 C CA . ARG A 0 28 . 14.121 2.632 -1.257 1.00 93.84 28 A 1 ATOM 218 C C . ARG A 0 28 . 13.583 3.781 -2.112 1.00 93.84 28 A 1 ATOM 219 C CB . ARG A 0 28 . 14.113 1.282 -1.990 1.00 93.84 28 A 1 ATOM 220 O O . ARG A 0 28 . 12.371 3.977 -2.206 1.00 93.84 28 A 1 ATOM 221 C CG . ARG A 0 28 . 15.123 1.251 -3.147 1.00 93.84 28 A 1 ATOM 222 C CD . ARG A 0 28 . 15.238 -0.164 -3.722 1.00 93.84 28 A 1 ATOM 223 N NE . ARG A 0 28 . 16.247 -0.230 -4.796 1.00 93.84 28 A 1 ATOM 224 N NH1 . ARG A 0 28 . 16.165 -2.501 -5.137 1.00 93.84 28 A 1 ATOM 225 N NH2 . ARG A 0 28 . 17.617 -1.265 -6.295 1.00 93.84 28 A 1 ATOM 226 C CZ . ARG A 0 28 . 16.667 -1.327 -5.404 1.00 93.84 28 A 1 ATOM 227 N N . ALA A 0 29 . 14.490 4.526 -2.743 1.00 93.19 29 A 1 ATOM 228 C CA . ALA A 0 29 . 14.127 5.551 -3.713 1.00 93.19 29 A 1 ATOM 229 C C . ALA A 0 29 . 13.617 4.893 -5.005 1.00 93.19 29 A 1 ATOM 230 C CB . ALA A 0 29 . 15.330 6.470 -3.959 1.00 93.19 29 A 1 ATOM 231 O O . ALA A 0 29 . 14.340 4.150 -5.672 1.00 93.19 29 A 1 ATOM 232 N N . CYS A 0 30 . 12.369 5.183 -5.356 1.00 90.23 30 A 1 ATOM 233 C CA . CYS A 0 30 . 11.709 4.738 -6.575 1.00 90.23 30 A 1 ATOM 234 C C . CYS A 0 30 . 11.249 5.972 -7.365 1.00 90.23 30 A 1 ATOM 235 C CB . CYS A 0 30 . 10.525 3.834 -6.206 1.00 90.23 30 A 1 ATOM 236 O O . CYS A 0 30 . 10.727 6.916 -6.773 1.00 90.23 30 A 1 ATOM 237 S SG . CYS A 0 30 . 11.133 2.237 -5.586 1.00 90.23 30 A 1 ATOM 238 N N . PRO A 0 31 . 11.411 6.016 -8.696 1.00 91.34 31 A 1 ATOM 239 C CA . PRO A 0 31 . 10.895 7.139 -9.470 1.00 91.34 31 A 1 ATOM 240 C C . PRO A 0 31 . 9.358 7.119 -9.453 1.00 91.34 31 A 1 ATOM 241 C CB . PRO A 0 31 . 11.510 6.967 -10.858 1.00 91.34 31 A 1 ATOM 242 O O . PRO A 0 31 . 8.761 6.049 -9.603 1.00 91.34 31 A 1 ATOM 243 C CG . PRO A 0 31 . 11.734 5.462 -10.984 1.00 91.34 31 A 1 ATOM 244 C CD . PRO A 0 31 . 12.022 5.011 -9.552 1.00 91.34 31 A 1 ATOM 245 N N . LYS A 0 32 . 8.713 8.286 -9.298 1.00 90.29 32 A 1 ATOM 246 C CA . LYS A 0 32 . 7.240 8.416 -9.181 1.00 90.29 32 A 1 ATOM 247 C C . LYS A 0 32 . 6.470 7.729 -10.311 1.00 90.29 32 A 1 ATOM 248 C CB . LYS A 0 32 . 6.884 9.915 -9.122 1.00 90.29 32 A 1 ATOM 249 O O . LYS A 0 32 . 5.379 7.213 -10.124 1.00 90.29 32 A 1 ATOM 250 C CG . LYS A 0 32 . 5.371 10.197 -9.044 1.00 90.29 32 A 1 ATOM 251 C CD . LYS A 0 32 . 5.074 11.691 -8.829 1.00 90.29 32 A 1 ATOM 252 C CE . LYS A 0 32 . 3.566 11.906 -8.618 1.00 90.29 32 A 1 ATOM 253 N NZ . LYS A 0 32 . 3.222 13.332 -8.364 1.00 90.29 32 A 1 ATOM 254 N N . ASP A 0 33 . 7.032 7.703 -11.512 1.00 90.19 33 A 1 ATOM 255 C CA . ASP A 0 33 . 6.387 7.097 -12.676 1.00 90.19 33 A 1 ATOM 256 C C . ASP A 0 33 . 6.461 5.557 -12.707 1.00 90.19 33 A 1 ATOM 257 C CB . ASP A 0 33 . 7.009 7.730 -13.918 1.00 90.19 33 A 1 ATOM 258 O O . ASP A 0 33 . 5.827 4.937 -13.563 1.00 90.19 33 A 1 ATOM 259 C CG . ASP A 0 33 . 8.473 7.338 -14.059 1.00 90.19 33 A 1 ATOM 260 O OD1 . ASP A 0 33 . 9.365 7.964 -13.449 1.00 90.19 33 A 1 ATOM 261 O OD2 . ASP A 0 33 . 8.746 6.389 -14.809 1.00 90.19 33 A 1 ATOM 262 N N . LYS A 0 34 . 7.240 4.960 -11.794 1.00 91.32 34 A 1 ATOM 263 C CA . LYS A 0 34 . 7.392 3.512 -11.596 1.00 91.32 34 A 1 ATOM 264 C C . LYS A 0 34 . 6.865 3.043 -10.238 1.00 91.32 34 A 1 ATOM 265 C CB . LYS A 0 34 . 8.876 3.152 -11.751 1.00 91.32 34 A 1 ATOM 266 O O . LYS A 0 34 . 6.823 1.840 -9.992 1.00 91.32 34 A 1 ATOM 267 C CG . LYS A 0 34 . 9.096 1.683 -12.131 1.00 91.32 34 A 1 ATOM 268 C CD . LYS A 0 34 . 10.574 1.393 -12.407 1.00 91.32 34 A 1 ATOM 269 C CE . LYS A 0 34 . 10.663 0.146 -13.291 1.00 91.32 34 A 1 ATOM 270 N NZ . LYS A 0 34 . 12.069 -0.248 -13.545 1.00 91.32 34 A 1 ATOM 271 N N . SER A 0 35 . 6.517 3.960 -9.337 1.00 90.26 35 A 1 ATOM 272 C CA . SER A 0 35 . 5.967 3.593 -8.037 1.00 90.26 35 A 1 ATOM 273 C C . SER A 0 35 . 4.597 2.950 -8.208 1.00 90.26 35 A 1 ATOM 274 C CB . SER A 0 35 . 5.881 4.791 -7.088 1.00 90.26 35 A 1 ATOM 275 O O . SER A 0 35 . 3.755 3.445 -8.958 1.00 90.26 35 A 1 ATOM 276 O OG . SER A 0 35 . 5.163 5.858 -7.662 1.00 90.26 35 A 1 ATOM 277 N N . VAL A 0 36 . 4.373 1.869 -7.470 1.00 90.19 36 A 1 ATOM 278 C CA . VAL A 0 36 . 3.043 1.292 -7.301 1.00 90.19 36 A 1 ATOM 279 C C . VAL A 0 36 . 2.376 2.073 -6.180 1.00 90.19 36 A 1 ATOM 280 C CB . VAL A 0 36 . 3.125 -0.213 -6.993 1.00 90.19 36 A 1 ATOM 281 O O . VAL A 0 36 . 2.801 1.986 -5.031 1.00 90.19 36 A 1 ATOM 282 C CG1 . VAL A 0 36 . 1.722 -0.817 -6.875 1.00 90.19 36 A 1 ATOM 283 C CG2 . VAL A 0 36 . 3.877 -0.959 -8.105 1.00 90.19 36 A 1 ATOM 284 N N . TRP A 0 37 . 1.382 2.885 -6.523 1.00 88.34 37 A 1 ATOM 285 C CA . TRP A 0 37 . 0.577 3.597 -5.540 1.00 88.34 37 A 1 ATOM 286 C C . TRP A 0 37 . -0.688 2.787 -5.258 1.00 88.34 37 A 1 ATOM 287 C CB . TRP A 0 37 . 0.293 5.027 -6.013 1.00 88.34 37 A 1 ATOM 288 O O . TRP A 0 37 . -1.258 2.174 -6.161 1.00 88.34 37 A 1 ATOM 289 C CG . TRP A 0 37 . -0.645 5.146 -7.173 1.00 88.34 37 A 1 ATOM 290 C CD1 . TRP A 0 37 . -0.324 4.983 -8.477 1.00 88.34 37 A 1 ATOM 291 C CD2 . TRP A 0 37 . -2.080 5.424 -7.142 1.00 88.34 37 A 1 ATOM 292 C CE2 . TRP A 0 37 . -2.569 5.396 -8.482 1.00 88.34 37 A 1 ATOM 293 C CE3 . TRP A 0 37 . -3.015 5.706 -6.121 1.00 88.34 37 A 1 ATOM 294 N NE1 . TRP A 0 37 . -1.460 5.123 -9.251 1.00 88.34 37 A 1 ATOM 295 C CH2 . TRP A 0 37 . -4.818 5.907 -7.764 1.00 88.34 37 A 1 ATOM 296 C CZ2 . TRP A 0 37 . -3.915 5.623 -8.800 1.00 88.34 37 A 1 ATOM 297 C CZ3 . TRP A 0 37 . -4.364 5.959 -6.437 1.00 88.34 37 A 1 ATOM 298 N N . LYS A 0 38 . -1.109 2.765 -3.995 1.00 92.49 38 A 1 ATOM 299 C CA . LYS A 0 38 . -2.347 2.128 -3.555 1.00 92.49 38 A 1 ATOM 300 C C . LYS A 0 38 . -3.074 3.123 -2.664 1.00 92.49 38 A 1 ATOM 301 C CB . LYS A 0 38 . -2.022 0.807 -2.831 1.00 92.49 38 A 1 ATOM 302 O O . LYS A 0 38 . -2.556 3.477 -1.610 1.00 92.49 38 A 1 ATOM 303 C CG . LYS A 0 38 . -3.289 -0.019 -2.561 1.00 92.49 38 A 1 ATOM 304 C CD . LYS A 0 38 . -2.984 -1.289 -1.750 1.00 92.49 38 A 1 ATOM 305 C CE . LYS A 0 38 . -4.278 -2.086 -1.523 1.00 92.49 38 A 1 ATOM 306 N NZ . LYS A 0 38 . -4.053 -3.332 -0.745 1.00 92.49 38 A 1 ATOM 307 N N . LEU A 0 39 . -4.245 3.577 -3.094 1.00 93.10 39 A 1 ATOM 308 C CA . LEU A 0 39 . -5.150 4.302 -2.212 1.00 93.10 39 A 1 ATOM 309 C C . LEU A 0 39 . -5.858 3.269 -1.341 1.00 93.10 39 A 1 ATOM 310 C CB . LEU A 0 39 . -6.118 5.150 -3.046 1.00 93.10 39 A 1 ATOM 311 O O . LEU A 0 39 . -6.497 2.354 -1.858 1.00 93.10 39 A 1 ATOM 312 C CG . LEU A 0 39 . -7.065 6.038 -2.220 1.00 93.10 39 A 1 ATOM 313 C CD1 . LEU A 0 39 . -6.301 7.149 -1.497 1.00 93.10 39 A 1 ATOM 314 C CD2 . LEU A 0 39 . -8.082 6.687 -3.157 1.00 93.10 39 A 1 ATOM 315 N N . VAL A 0 40 . -5.679 3.376 -0.030 1.00 92.75 40 A 1 ATOM 316 C CA . VAL A 0 40 . -6.349 2.504 0.931 1.00 92.75 40 A 1 ATOM 317 C C . VAL A 0 40 . -7.172 3.393 1.843 1.00 92.75 40 A 1 ATOM 318 C CB . VAL A 0 40 . -5.360 1.622 1.720 1.00 92.75 40 A 1 ATOM 319 O O . VAL A 0 40 . -6.635 3.995 2.766 1.00 92.75 40 A 1 ATOM 320 C CG1 . VAL A 0 40 . -6.128 0.541 2.487 1.00 92.75 40 A 1 ATOM 321 C CG2 . VAL A 0 40 . -4.380 0.876 0.806 1.00 92.75 40 A 1 ATOM 322 N N . THR A 0 41 . -8.469 3.476 1.568 1.00 91.69 41 A 1 ATOM 323 C CA . THR A 0 41 . -9.426 4.089 2.488 1.00 91.69 41 A 1 ATOM 324 C C . THR A 0 41 . -9.748 3.060 3.561 1.00 91.69 41 A 1 ATOM 325 C CB . THR A 0 41 . -10.698 4.546 1.762 1.00 91.69 41 A 1 ATOM 326 O O . THR A 0 41 . -10.274 1.990 3.258 1.00 91.69 41 A 1 ATOM 327 C CG2 . THR A 0 41 . -11.564 5.438 2.649 1.00 91.69 41 A 1 ATOM 328 O OG1 . THR A 0 41 . -10.343 5.307 0.628 1.00 91.69 41 A 1 ATOM 329 N N . ARG A 0 42 . -9.373 3.353 4.804 1.00 90.71 42 A 1 ATOM 330 C CA . ARG A 0 42 . -9.762 2.574 5.982 1.00 90.71 42 A 1 ATOM 331 C C . ARG A 0 42 . -10.617 3.467 6.864 1.00 90.71 42 A 1 ATOM 332 C CB . ARG A 0 42 . -8.531 2.045 6.736 1.00 90.71 42 A 1 ATOM 333 O O . ARG A 0 42 . -10.367 4.672 6.912 1.00 90.71 42 A 1 ATOM 334 C CG . ARG A 0 42 . -7.728 1.071 5.869 1.00 90.71 42 A 1 ATOM 335 C CD . ARG A 0 42 . -6.550 0.470 6.639 1.00 90.71 42 A 1 ATOM 336 N NE . ARG A 0 42 . -5.942 -0.656 5.900 1.00 90.71 42 A 1 ATOM 337 N NH1 . ARG A 0 42 . -3.791 -0.412 6.668 1.00 90.71 42 A 1 ATOM 338 N NH2 . ARG A 0 42 . -4.318 -2.167 5.394 1.00 90.71 42 A 1 ATOM 339 C CZ . ARG A 0 42 . -4.689 -1.065 5.984 1.00 90.71 42 A 1 ATOM 340 N N . SER A 0 43 . -11.607 2.884 7.531 1.00 88.87 43 A 1 ATOM 341 C CA . SER A 0 43 . -12.278 3.559 8.637 1.00 88.87 43 A 1 ATOM 342 C C . SER A 0 43 . -11.236 3.972 9.678 1.00 88.87 43 A 1 ATOM 343 C CB . SER A 0 43 . -13.348 2.646 9.254 1.00 88.87 43 A 1 ATOM 344 O O . SER A 0 43 . -10.217 3.299 9.853 1.00 88.87 43 A 1 ATOM 345 O OG . SER A 0 43 . -12.813 1.364 9.513 1.00 88.87 43 A 1 ATOM 346 N N . MET A 0 44 . -11.471 5.106 10.340 1.00 87.78 44 A 1 ATOM 347 C CA . MET A 0 44 . -10.603 5.557 11.434 1.00 87.78 44 A 1 ATOM 348 C C . MET A 0 44 . -10.665 4.592 12.620 1.00 87.78 44 A 1 ATOM 349 C CB . MET A 0 44 . -11.019 6.961 11.890 1.00 87.78 44 A 1 ATOM 350 O O . MET A 0 44 . -9.670 4.387 13.307 1.00 87.78 44 A 1 ATOM 351 C CG . MET A 0 44 . -10.781 8.009 10.800 1.00 87.78 44 A 1 ATOM 352 S SD . MET A 0 44 . -11.064 9.719 11.329 1.00 87.78 44 A 1 ATOM 353 C CE . MET A 0 44 . -12.870 9.734 11.521 1.00 87.78 44 A 1 ATOM 354 N N . VAL A 0 45 . -11.835 3.989 12.820 1.00 88.83 45 A 1 ATOM 355 C CA . VAL A 0 45 . -12.119 3.033 13.884 1.00 88.83 45 A 1 ATOM 356 C C . VAL A 0 45 . -12.076 1.616 13.313 1.00 88.83 45 A 1 ATOM 357 C CB . VAL A 0 45 . -13.470 3.362 14.544 1.00 88.83 45 A 1 ATOM 358 O O . VAL A 0 45 . -12.518 1.368 12.187 1.00 88.83 45 A 1 ATOM 359 C CG1 . VAL A 0 45 . -13.702 2.504 15.783 1.00 88.83 45 A 1 ATOM 360 C CG2 . VAL A 0 45 . -13.543 4.833 14.985 1.00 88.83 45 A 1 ATOM 361 N N . GLU A 0 46 . -11.508 0.693 14.081 1.00 89.71 46 A 1 ATOM 362 C CA . GLU A 0 46 . -11.552 -0.741 13.796 1.00 89.71 46 A 1 ATOM 363 C C . GLU A 0 46 . -12.998 -1.261 13.922 1.00 89.71 46 A 1 ATOM 364 C CB . GLU A 0 46 . -10.531 -1.423 14.722 1.00 89.71 46 A 1 ATOM 365 O O . GLU A 0 46 . -13.778 -0.739 14.709 1.00 89.71 46 A 1 ATOM 366 C CG . GLU A 0 46 . -10.301 -2.917 14.456 1.00 89.71 46 A 1 ATOM 367 C CD . GLU A 0 46 . -11.450 -3.784 14.967 1.00 89.71 46 A 1 ATOM 368 O OE1 . GLU A 0 46 . -11.875 -4.681 14.207 1.00 89.71 46 A 1 ATOM 369 O OE2 . GLU A 0 46 . -11.978 -3.465 16.048 1.00 89.71 46 A 1 ATOM 370 N N . ALA A 0 47 . -13.392 -2.247 13.113 1.00 87.73 47 A 1 ATOM 371 C CA . ALA A 0 47 . -14.798 -2.626 12.971 1.00 87.73 47 A 1 ATOM 372 C C . ALA A 0 47 . -15.453 -3.113 14.278 1.00 87.73 47 A 1 ATOM 373 C CB . ALA A 0 47 . -14.900 -3.689 11.871 1.00 87.73 47 A 1 ATOM 374 O O . ALA A 0 47 . -16.635 -2.846 14.480 1.00 87.73 47 A 1 ATOM 375 N N . ALA A 0 48 . -14.717 -3.795 15.161 1.00 89.57 48 A 1 ATOM 376 C CA . ALA A 0 48 . -15.244 -4.225 16.454 1.00 89.57 48 A 1 ATOM 377 C C . ALA A 0 48 . -15.378 -3.055 17.443 1.00 89.57 48 A 1 ATOM 378 C CB . ALA A 0 48 . -14.368 -5.356 17.009 1.00 89.57 48 A 1 ATOM 379 O O . ALA A 0 48 . -16.366 -2.983 18.167 1.00 89.57 48 A 1 ATOM 380 N N . ALA A 0 49 . -14.442 -2.103 17.415 1.00 89.57 49 A 1 ATOM 381 C CA . ALA A 0 49 . -14.437 -0.950 18.317 1.00 89.57 49 A 1 ATOM 382 C C . ALA A 0 49 . -15.505 0.119 18.007 1.00 89.57 49 A 1 ATOM 383 C CB . ALA A 0 49 . -13.028 -0.346 18.298 1.00 89.57 49 A 1 ATOM 384 O O . ALA A 0 49 . -15.691 1.037 18.804 1.00 89.57 49 A 1 ATOM 385 N N . VAL A 0 50 . -16.200 0.039 16.864 1.00 86.88 50 A 1 ATOM 386 C CA . VAL A 0 50 . -17.240 1.020 16.494 1.00 86.88 50 A 1 ATOM 387 C C . VAL A 0 50 . -18.327 1.091 17.565 1.00 86.88 50 A 1 ATOM 388 C CB . VAL A 0 50 . -17.859 0.713 15.116 1.00 86.88 50 A 1 ATOM 389 O O . VAL A 0 50 . -18.663 2.181 18.014 1.00 86.88 50 A 1 ATOM 390 C CG1 . VAL A 0 50 . -18.973 1.699 14.748 1.00 86.88 50 A 1 ATOM 391 C CG2 . VAL A 0 50 . -16.802 0.797 14.007 1.00 86.88 50 A 1 ATOM 392 N N . LYS A 0 51 . -18.811 -0.067 18.025 1.00 84.86 51 A 1 ATOM 393 C CA . LYS A 0 51 . -19.896 -0.135 19.008 1.00 84.86 51 A 1 ATOM 394 C C . LYS A 0 51 . -19.472 0.374 20.386 1.00 84.86 51 A 1 ATOM 395 C CB . LYS A 0 51 . -20.432 -1.567 19.056 1.00 84.86 51 A 1 ATOM 396 O O . LYS A 0 51 . -20.199 1.148 20.995 1.00 84.86 51 A 1 ATOM 397 C CG . LYS A 0 51 . -21.608 -1.639 20.030 1.00 84.86 51 A 1 ATOM 398 C CD . LYS A 0 51 . -22.382 -2.944 19.885 1.00 84.86 51 A 1 ATOM 399 C CE . LYS A 0 51 . -23.477 -2.892 20.949 1.00 84.86 51 A 1 ATOM 400 N NZ . LYS A 0 51 . -24.724 -3.528 20.478 1.00 84.86 51 A 1 ATOM 401 N N . ASP A 0 52 . -18.279 -0.006 20.840 1.00 88.28 52 A 1 ATOM 402 C CA . ASP A 0 52 . -17.754 0.447 22.133 1.00 88.28 52 A 1 ATOM 403 C C . ASP A 0 52 . -17.571 1.972 22.161 1.00 88.28 52 A 1 ATOM 404 C CB . ASP A 0 52 . -16.407 -0.231 22.420 1.00 88.28 52 A 1 ATOM 405 O O . ASP A 0 52 . -17.814 2.618 23.180 1.00 88.28 52 A 1 ATOM 406 C CG . ASP A 0 52 . -16.493 -1.756 22.535 1.00 88.28 52 A 1 ATOM 407 O OD1 . ASP A 0 52 . -17.435 -2.255 23.188 1.00 88.28 52 A 1 ATOM 408 O OD2 . ASP A 0 52 . -15.589 -2.415 21.974 1.00 88.28 52 A 1 ATOM 409 N N . LEU A 0 53 . -17.162 2.563 21.032 1.00 86.37 53 A 1 ATOM 410 C CA . LEU A 0 53 . -17.050 4.014 20.908 1.00 86.37 53 A 1 ATOM 411 C C . LEU A 0 53 . -18.410 4.704 20.840 1.00 86.37 53 A 1 ATOM 412 C CB . LEU A 0 53 . -16.204 4.382 19.682 1.00 86.37 53 A 1 ATOM 413 O O . LEU A 0 53 . -18.552 5.763 21.441 1.00 86.37 53 A 1 ATOM 414 C CG . LEU A 0 53 . -14.698 4.126 19.850 1.00 86.37 53 A 1 ATOM 415 C CD1 . LEU A 0 53 . -13.992 4.549 18.565 1.00 86.37 53 A 1 ATOM 416 C CD2 . LEU A 0 53 . -14.064 4.944 20.978 1.00 86.37 53 A 1 ATOM 417 N N . GLU A 0 54 . -19.393 4.136 20.140 1.00 86.12 54 A 1 ATOM 418 C CA . GLU A 0 54 . -20.757 4.674 20.108 1.00 86.12 54 A 1 ATOM 419 C C . GLU A 0 54 . -21.369 4.698 21.517 1.00 86.12 54 A 1 ATOM 420 C CB . GLU A 0 54 . -21.625 3.871 19.121 1.00 86.12 54 A 1 ATOM 421 O O . GLU A 0 54 . -21.815 5.757 21.961 1.00 86.12 54 A 1 ATOM 422 C CG . GLU A 0 54 . -21.310 4.225 17.656 1.00 86.12 54 A 1 ATOM 423 C CD . GLU A 0 54 . -22.019 3.334 16.617 1.00 86.12 54 A 1 ATOM 424 O OE1 . GLU A 0 54 . -21.793 3.583 15.408 1.00 86.12 54 A 1 ATOM 425 O OE2 . GLU A 0 54 . -22.767 2.403 16.999 1.00 86.12 54 A 1 ATOM 426 N N . ASP A 0 55 . -21.282 3.588 22.258 1.00 85.72 55 A 1 ATOM 427 C CA . ASP A 0 55 . -21.833 3.454 23.614 1.00 85.72 55 A 1 ATOM 428 C C . ASP A 0 55 . -21.126 4.367 24.641 1.00 85.72 55 A 1 ATOM 429 C CB . ASP A 0 55 . -21.750 1.975 24.059 1.00 85.72 55 A 1 ATOM 430 O O . ASP A 0 55 . -21.758 4.875 25.569 1.00 85.72 55 A 1 ATOM 431 C CG . ASP A 0 55 . -22.729 1.014 23.350 1.00 85.72 55 A 1 ATOM 432 O OD1 . ASP A 0 55 . -23.769 1.477 22.830 1.00 85.72 55 A 1 ATOM 433 O OD2 . ASP A 0 55 . -22.497 -0.220 23.393 1.00 85.72 55 A 1 ATOM 434 N N . ALA A 0 56 . -19.818 4.607 24.485 1.00 88.04 56 A 1 ATOM 435 C CA . ALA A 0 56 . -19.033 5.466 25.381 1.00 88.04 56 A 1 ATOM 436 C C . ALA A 0 56 . -19.138 6.969 25.060 1.00 88.04 56 A 1 ATOM 437 C CB . ALA A 0 56 . -17.574 4.997 25.346 1.00 88.04 56 A 1 ATOM 438 O O . ALA A 0 56 . -18.575 7.804 25.778 1.00 88.04 56 A 1 ATOM 439 N N . SER A 0 57 . -19.803 7.334 23.966 1.00 86.06 57 A 1 ATOM 440 C CA . SER A 0 57 . -19.803 8.699 23.457 1.00 86.06 57 A 1 ATOM 441 C C . SER A 0 57 . -21.023 9.515 23.895 1.00 86.06 57 A 1 ATOM 442 C CB . SER A 0 57 . -19.611 8.677 21.953 1.00 86.06 57 A 1 ATOM 443 O O . SER A 0 57 . -22.123 9.004 24.068 1.00 86.06 57 A 1 ATOM 444 O OG . SER A 0 57 . -20.766 8.213 21.284 1.00 86.06 57 A 1 ATOM 445 N N . VAL A 0 58 . -20.826 10.825 24.090 1.00 84.09 58 A 1 ATOM 446 C CA . VAL A 0 58 . -21.870 11.728 24.621 1.00 84.09 58 A 1 ATOM 447 C C . VAL A 0 58 . -22.982 12.008 23.604 1.00 84.09 58 A 1 ATOM 448 C CB . VAL A 0 58 . -21.235 13.048 25.113 1.00 84.09 58 A 1 ATOM 449 O O . VAL A 0 58 . -24.117 12.280 23.988 1.00 84.09 58 A 1 ATOM 450 C CG1 . VAL A 0 58 . -22.254 14.065 25.647 1.00 84.09 58 A 1 ATOM 451 C CG2 . VAL A 0 58 . -20.223 12.785 26.238 1.00 84.09 58 A 1 ATOM 452 N N . TYR A 0 59 . -22.670 11.962 22.311 1.00 80.82 59 A 1 ATOM 453 C CA . TYR A 0 59 . -23.622 12.249 21.243 1.00 80.82 59 A 1 ATOM 454 C C . TYR A 0 59 . -23.952 10.943 20.514 1.00 80.82 59 A 1 ATOM 455 C CB . TYR A 0 59 . -23.076 13.350 20.317 1.00 80.82 59 A 1 ATOM 456 O O . TYR A 0 59 . -23.062 10.172 20.192 1.00 80.82 59 A 1 ATOM 457 C CG . TYR A 0 59 . -22.783 14.695 20.981 1.00 80.82 59 A 1 ATOM 458 C CD1 . TYR A 0 59 . -23.662 15.780 20.827 1.00 80.82 59 A 1 ATOM 459 C CD2 . TYR A 0 59 . -21.626 14.882 21.756 1.00 80.82 59 A 1 ATOM 460 C CE1 . TYR A 0 59 . -23.343 17.036 21.385 1.00 80.82 59 A 1 ATOM 461 C CE2 . TYR A 0 59 . -21.253 16.141 22.249 1.00 80.82 59 A 1 ATOM 462 O OH . TYR A 0 59 . -21.799 18.446 22.574 1.00 80.82 59 A 1 ATOM 463 C CZ . TYR A 0 59 . -22.122 17.230 22.063 1.00 80.82 59 A 1 ATOM 464 N N . GLY A 0 60 . -25.230 10.682 20.232 1.00 73.80 60 A 1 ATOM 465 C CA . GLY A 0 60 . -25.666 9.421 19.607 1.00 73.80 60 A 1 ATOM 466 C C . GLY A 0 60 . -25.311 9.269 18.121 1.00 73.80 60 A 1 ATOM 467 O O . GLY A 0 60 . -25.653 8.264 17.510 1.00 73.80 60 A 1 ATOM 468 N N . SER A 0 61 . -24.659 10.265 17.519 1.00 73.44 61 A 1 ATOM 469 C CA . SER A 0 61 . -24.232 10.250 16.118 1.00 73.44 61 A 1 ATOM 470 C C . SER A 0 61 . -23.002 11.141 15.930 1.00 73.44 61 A 1 ATOM 471 C CB . SER A 0 61 . -25.373 10.733 15.208 1.00 73.44 61 A 1 ATOM 472 O O . SER A 0 61 . -23.068 12.337 16.222 1.00 73.44 61 A 1 ATOM 473 O OG . SER A 0 61 . -25.734 12.069 15.514 1.00 73.44 61 A 1 ATOM 474 N N . TRP A 0 62 . -21.905 10.584 15.410 1.00 66.47 62 A 1 ATOM 475 C CA . TRP A 0 62 . -20.640 11.302 15.158 1.00 66.47 62 A 1 ATOM 476 C C . TRP A 0 62 . -20.199 11.290 13.690 1.00 66.47 62 A 1 ATOM 477 C CB . TRP A 0 62 . -19.542 10.736 16.057 1.00 66.47 62 A 1 ATOM 478 O O . TRP A 0 62 . -19.034 11.562 13.391 1.00 66.47 62 A 1 ATOM 479 C CG . TRP A 0 62 . -19.826 10.870 17.505 1.00 66.47 62 A 1 ATOM 480 C CD1 . TRP A 0 62 . -20.306 9.890 18.291 1.00 66.47 62 A 1 ATOM 481 C CD2 . TRP A 0 62 . -19.650 12.036 18.361 1.00 66.47 62 A 1 ATOM 482 C CE2 . TRP A 0 62 . -19.908 11.636 19.699 1.00 66.47 62 A 1 ATOM 483 C CE3 . TRP A 0 62 . -19.250 13.372 18.148 1.00 66.47 62 A 1 ATOM 484 N NE1 . TRP A 0 62 . -20.413 10.368 19.567 1.00 66.47 62 A 1 ATOM 485 C CH2 . TRP A 0 62 . -19.153 13.765 20.548 1.00 66.47 62 A 1 ATOM 486 C CZ2 . TRP A 0 62 . -19.632 12.465 20.791 1.00 66.47 62 A 1 ATOM 487 C CZ3 . TRP A 0 62 . -19.027 14.239 19.232 1.00 66.47 62 A 1 ATOM 488 N N . LEU A 0 63 . -21.115 10.958 12.780 1.00 57.40 63 A 1 ATOM 489 C CA . LEU A 0 63 . -20.867 10.796 11.349 1.00 57.40 63 A 1 ATOM 490 C C . LEU A 0 63 . -21.942 11.490 10.516 1.00 57.40 63 A 1 ATOM 491 C CB . LEU A 0 63 . -20.711 9.285 11.047 1.00 57.40 63 A 1 ATOM 492 O O . LEU A 0 63 . -23.127 11.390 10.901 1.00 57.40 63 A 1 ATOM 493 C CG . LEU A 0 63 . -19.288 8.933 10.590 1.00 57.40 63 A 1 ATOM 494 C CD1 . LEU A 0 63 . -18.882 7.554 11.101 1.00 57.40 63 A 1 ATOM 495 C CD2 . LEU A 0 63 . -19.202 8.937 9.064 1.00 57.40 63 A 1 ATOM 496 O OXT . LEU A 0 63 . -21.521 12.106 9.514 1.00 57.40 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 87.46 # loop_ _atom_type.symbol C N O S #