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 ASP 0 3 SER 0 4 ILE 0 5 LEU 0 6 ARG 0 7 ASN 0 8 LEU 0 9 LYS 0 10 TYR 0 11 SER 0 12 ARG 0 13 ASP 0 14 ALA 0 15 LEU 0 16 THR 0 17 PRO 0 18 LEU 0 19 ILE 0 20 SER 0 21 LEU 0 22 ALA 0 23 LYS 0 24 THR 0 25 TRP 0 26 ARG 0 27 ARG 0 28 PRO 0 29 ALA 0 30 ALA 0 31 ALA 0 32 TRP 0 33 THR 0 34 VAL 0 35 THR 0 36 ALA 0 37 GLY 0 38 VAL 0 39 LEU 0 40 PHE 0 41 VAL 0 42 TYR 0 43 PHE 0 44 THR 0 45 ASP 0 46 TRP 0 47 LYS 0 48 VAL 0 49 ILE 0 50 CYS 0 51 THR 0 52 ARG 0 53 ILE 0 54 PRO 0 55 LEU 0 56 TYR 0 57 ASN 0 58 ARG 0 59 LYS 0 60 PHE 0 61 LEU 0 62 ASP 0 63 SER 0 64 ASP 0 65 GLU # 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 . 35.056 20.254 -14.297 1.00 71.55 1 A 1 ATOM 2 C CA . MET A 0 1 . 33.576 20.180 -14.304 1.00 71.55 1 A 1 ATOM 3 C C . MET A 0 1 . 33.081 18.835 -14.845 1.00 71.55 1 A 1 ATOM 4 C CB . MET A 0 1 . 32.977 21.349 -15.098 1.00 71.55 1 A 1 ATOM 5 O O . MET A 0 1 . 32.224 18.209 -14.232 1.00 71.55 1 A 1 ATOM 6 C CG . MET A 0 1 . 31.537 21.658 -14.673 1.00 71.55 1 A 1 ATOM 7 S SD . MET A 0 1 . 31.399 22.885 -13.346 1.00 71.55 1 A 1 ATOM 8 C CE . MET A 0 1 . 31.694 24.410 -14.293 1.00 71.55 1 A 1 ATOM 9 N N . ASP A 0 2 . 33.653 18.342 -15.946 1.00 79.52 2 A 1 ATOM 10 C CA . ASP A 0 2 . 33.107 17.209 -16.719 1.00 79.52 2 A 1 ATOM 11 C C . ASP A 0 2 . 33.143 15.836 -16.029 1.00 79.52 2 A 1 ATOM 12 C CB . ASP A 0 2 . 33.860 17.121 -18.056 1.00 79.52 2 A 1 ATOM 13 O O . ASP A 0 2 . 32.421 14.920 -16.421 1.00 79.52 2 A 1 ATOM 14 C CG . ASP A 0 2 . 33.918 18.479 -18.750 1.00 79.52 2 A 1 ATOM 15 O OD1 . ASP A 0 2 . 32.897 19.191 -18.670 1.00 79.52 2 A 1 ATOM 16 O OD2 . ASP A 0 2 . 35.037 18.853 -19.143 1.00 79.52 2 A 1 ATOM 17 N N . SER A 0 3 . 33.972 15.644 -15.002 1.00 80.12 3 A 1 ATOM 18 C CA . SER A 0 3 . 33.969 14.418 -14.187 1.00 80.12 3 A 1 ATOM 19 C C . SER A 0 3 . 32.714 14.306 -13.313 1.00 80.12 3 A 1 ATOM 20 C CB . SER A 0 3 . 35.229 14.363 -13.317 1.00 80.12 3 A 1 ATOM 21 O O . SER A 0 3 . 32.119 13.235 -13.229 1.00 80.12 3 A 1 ATOM 22 O OG . SER A 0 3 . 35.403 15.586 -12.621 1.00 80.12 3 A 1 ATOM 23 N N . ILE A 0 4 . 32.262 15.419 -12.727 1.00 80.09 4 A 1 ATOM 24 C CA . ILE A 0 4 . 31.065 15.469 -11.874 1.00 80.09 4 A 1 ATOM 25 C C . ILE A 0 4 . 29.806 15.233 -12.713 1.00 80.09 4 A 1 ATOM 26 C CB . ILE A 0 4 . 31.007 16.812 -11.106 1.00 80.09 4 A 1 ATOM 27 O O . ILE A 0 4 . 28.950 14.432 -12.340 1.00 80.09 4 A 1 ATOM 28 C CG1 . ILE A 0 4 . 32.235 16.947 -10.172 1.00 80.09 4 A 1 ATOM 29 C CG2 . ILE A 0 4 . 29.692 16.923 -10.310 1.00 80.09 4 A 1 ATOM 30 C CD1 . ILE A 0 4 . 32.342 18.303 -9.463 1.00 80.09 4 A 1 ATOM 31 N N . LEU A 0 5 . 29.724 15.870 -13.886 1.00 83.87 5 A 1 ATOM 32 C CA . LEU A 0 5 . 28.600 15.693 -14.810 1.00 83.87 5 A 1 ATOM 33 C C . LEU A 0 5 . 28.499 14.250 -15.326 1.00 83.87 5 A 1 ATOM 34 C CB . LEU A 0 5 . 28.728 16.692 -15.974 1.00 83.87 5 A 1 ATOM 35 O O . LEU A 0 5 . 27.397 13.709 -15.423 1.00 83.87 5 A 1 ATOM 36 C CG . LEU A 0 5 . 28.641 18.176 -15.568 1.00 83.87 5 A 1 ATOM 37 C CD1 . LEU A 0 5 . 28.837 19.053 -16.803 1.00 83.87 5 A 1 ATOM 38 C CD2 . LEU A 0 5 . 27.295 18.529 -14.931 1.00 83.87 5 A 1 ATOM 39 N N . ARG A 0 6 . 29.636 13.593 -15.601 1.00 83.57 6 A 1 ATOM 40 C CA . ARG A 0 6 . 29.658 12.173 -15.984 1.00 83.57 6 A 1 ATOM 41 C C . ARG A 0 6 . 29.179 11.265 -14.851 1.00 83.57 6 A 1 ATOM 42 C CB . ARG A 0 6 . 31.046 11.766 -16.503 1.00 83.57 6 A 1 ATOM 43 O O . ARG A 0 6 . 28.323 10.425 -15.108 1.00 83.57 6 A 1 ATOM 44 C CG . ARG A 0 6 . 31.242 12.233 -17.954 1.00 83.57 6 A 1 ATOM 45 C CD . ARG A 0 6 . 32.596 11.804 -18.530 1.00 83.57 6 A 1 ATOM 46 N NE . ARG A 0 6 . 33.713 12.567 -17.947 1.00 83.57 6 A 1 ATOM 47 N NH1 . ARG A 0 6 . 35.390 11.596 -19.189 1.00 83.57 6 A 1 ATOM 48 N NH2 . ARG A 0 6 . 35.897 13.183 -17.712 1.00 83.57 6 A 1 ATOM 49 C CZ . ARG A 0 6 . 34.989 12.443 -18.280 1.00 83.57 6 A 1 ATOM 50 N N . ASN A 0 7 . 29.640 11.469 -13.615 1.00 82.38 7 A 1 ATOM 51 C CA . ASN A 0 7 . 29.173 10.684 -12.463 1.00 82.38 7 A 1 ATOM 52 C C . ASN A 0 7 . 27.665 10.843 -12.214 1.00 82.38 7 A 1 ATOM 53 C CB . ASN A 0 7 . 29.992 11.058 -11.212 1.00 82.38 7 A 1 ATOM 54 O O . ASN A 0 7 . 26.977 9.851 -11.991 1.00 82.38 7 A 1 ATOM 55 C CG . ASN A 0 7 . 31.303 10.297 -11.110 1.00 82.38 7 A 1 ATOM 56 N ND2 . ASN A 0 7 . 32.184 10.701 -10.226 1.00 82.38 7 A 1 ATOM 57 O OD1 . ASN A 0 7 . 31.554 9.326 -11.799 1.00 82.38 7 A 1 ATOM 58 N N . LEU A 0 8 . 27.121 12.059 -12.325 1.00 85.91 8 A 1 ATOM 59 C CA . LEU A 0 8 . 25.674 12.287 -12.219 1.00 85.91 8 A 1 ATOM 60 C C . LEU A 0 8 . 24.889 11.562 -13.317 1.00 85.91 8 A 1 ATOM 61 C CB . LEU A 0 8 . 25.390 13.797 -12.276 1.00 85.91 8 A 1 ATOM 62 O O . LEU A 0 8 . 23.835 10.987 -13.040 1.00 85.91 8 A 1 ATOM 63 C CG . LEU A 0 8 . 25.610 14.510 -10.933 1.00 85.91 8 A 1 ATOM 64 C CD1 . LEU A 0 8 . 25.661 16.019 -11.161 1.00 85.91 8 A 1 ATOM 65 C CD2 . LEU A 0 8 . 24.473 14.211 -9.951 1.00 85.91 8 A 1 ATOM 66 N N . LYS A 0 9 . 25.400 11.564 -14.556 1.00 81.91 9 A 1 ATOM 67 C CA . LYS A 0 9 . 24.765 10.853 -15.670 1.00 81.91 9 A 1 ATOM 68 C C . LYS A 0 9 . 24.768 9.338 -15.440 1.00 81.91 9 A 1 ATOM 69 C CB . LYS A 0 9 . 25.419 11.261 -16.997 1.00 81.91 9 A 1 ATOM 70 O O . LYS A 0 9 . 23.713 8.731 -15.570 1.00 81.91 9 A 1 ATOM 71 C CG . LYS A 0 9 . 24.566 10.787 -18.181 1.00 81.91 9 A 1 ATOM 72 C CD . LYS A 0 9 . 25.207 11.148 -19.523 1.00 81.91 9 A 1 ATOM 73 C CE . LYS A 0 9 . 24.350 10.550 -20.643 1.00 81.91 9 A 1 ATOM 74 N NZ . LYS A 0 9 . 25.012 10.659 -21.967 1.00 81.91 9 A 1 ATOM 75 N N . TYR A 0 10 . 25.889 8.756 -15.004 1.00 81.39 10 A 1 ATOM 76 C CA . TYR A 0 10 . 25.964 7.332 -14.647 1.00 81.39 10 A 1 ATOM 77 C C . TYR A 0 10 . 24.973 6.956 -13.539 1.00 81.39 10 A 1 ATOM 78 C CB . TYR A 0 10 . 27.395 6.959 -14.230 1.00 81.39 10 A 1 ATOM 79 O O . TYR A 0 10 . 24.243 5.976 -13.680 1.00 81.39 10 A 1 ATOM 80 C CG . TYR A 0 10 . 28.286 6.576 -15.394 1.00 81.39 10 A 1 ATOM 81 C CD1 . TYR A 0 10 . 28.084 5.340 -16.038 1.00 81.39 10 A 1 ATOM 82 C CD2 . TYR A 0 10 . 29.323 7.426 -15.822 1.00 81.39 10 A 1 ATOM 83 C CE1 . TYR A 0 10 . 28.903 4.964 -17.117 1.00 81.39 10 A 1 ATOM 84 C CE2 . TYR A 0 10 . 30.140 7.060 -16.909 1.00 81.39 10 A 1 ATOM 85 O OH . TYR A 0 10 . 30.718 5.451 -18.597 1.00 81.39 10 A 1 ATOM 86 C CZ . TYR A 0 10 . 29.928 5.824 -17.558 1.00 81.39 10 A 1 ATOM 87 N N . SER A 0 11 . 24.879 7.760 -12.477 1.00 82.64 11 A 1 ATOM 88 C CA . SER A 0 11 . 23.909 7.524 -11.401 1.00 82.64 11 A 1 ATOM 89 C C . SER A 0 11 . 22.463 7.605 -11.895 1.00 82.64 11 A 1 ATOM 90 C CB . SER A 0 11 . 24.116 8.532 -10.269 1.00 82.64 11 A 1 ATOM 91 O O . SER A 0 11 . 21.635 6.771 -11.535 1.00 82.64 11 A 1 ATOM 92 O OG . SER A 0 11 . 25.396 8.350 -9.703 1.00 82.64 11 A 1 ATOM 93 N N . ARG A 0 12 . 22.140 8.583 -12.751 1.00 80.10 12 A 1 ATOM 94 C CA . ARG A 0 12 . 20.797 8.724 -13.333 1.00 80.10 12 A 1 ATOM 95 C C . ARG A 0 12 . 20.447 7.554 -14.251 1.00 80.10 12 A 1 ATOM 96 C CB . ARG A 0 12 . 20.718 10.048 -14.097 1.00 80.10 12 A 1 ATOM 97 O O . ARG A 0 12 . 19.323 7.051 -14.205 1.00 80.10 12 A 1 ATOM 98 C CG . ARG A 0 12 . 19.276 10.351 -14.536 1.00 80.10 12 A 1 ATOM 99 C CD . ARG A 0 12 . 19.238 11.533 -15.501 1.00 80.10 12 A 1 ATOM 100 N NE . ARG A 0 12 . 19.814 11.158 -16.803 1.00 80.10 12 A 1 ATOM 101 N NH1 . ARG A 0 12 . 19.300 13.087 -17.938 1.00 80.10 12 A 1 ATOM 102 N NH2 . ARG A 0 12 . 20.277 11.352 -18.993 1.00 80.10 12 A 1 ATOM 103 C CZ . ARG A 0 12 . 19.794 11.876 -17.904 1.00 80.10 12 A 1 ATOM 104 N N . ASP A 0 13 . 21.392 7.121 -15.072 1.00 83.86 13 A 1 ATOM 105 C CA . ASP A 0 13 . 21.186 6.019 -16.006 1.00 83.86 13 A 1 ATOM 106 C C . ASP A 0 13 . 21.011 4.692 -15.231 1.00 83.86 13 A 1 ATOM 107 C CB . ASP A 0 13 . 22.316 6.020 -17.056 1.00 83.86 13 A 1 ATOM 108 O O . ASP A 0 13 . 20.157 3.887 -15.595 1.00 83.86 13 A 1 ATOM 109 C CG . ASP A 0 13 . 22.331 7.262 -17.988 1.00 83.86 13 A 1 ATOM 110 O OD1 . ASP A 0 13 . 21.374 8.086 -17.982 1.00 83.86 13 A 1 ATOM 111 O OD2 . ASP A 0 13 . 23.321 7.421 -18.742 1.00 83.86 13 A 1 ATOM 112 N N . ALA A 0 14 . 21.675 4.530 -14.076 1.00 86.15 14 A 1 ATOM 113 C CA . ALA A 0 14 . 21.428 3.427 -13.138 1.00 86.15 14 A 1 ATOM 114 C C . ALA A 0 14 . 20.066 3.517 -12.409 1.00 86.15 14 A 1 ATOM 115 C CB . ALA A 0 14 . 22.590 3.381 -12.138 1.00 86.15 14 A 1 ATOM 116 O O . ALA A 0 14 . 19.434 2.496 -12.138 1.00 86.15 14 A 1 ATOM 117 N N . LEU A 0 15 . 19.572 4.725 -12.114 1.00 88.05 15 A 1 ATOM 118 C CA . LEU A 0 15 . 18.267 4.958 -11.470 1.00 88.05 15 A 1 ATOM 119 C C . LEU A 0 15 . 17.075 4.798 -12.423 1.00 88.05 15 A 1 ATOM 120 C CB . LEU A 0 15 . 18.270 6.371 -10.858 1.00 88.05 15 A 1 ATOM 121 O O . LEU A 0 15 . 15.970 4.473 -11.992 1.00 88.05 15 A 1 ATOM 122 C CG . LEU A 0 15 . 18.856 6.401 -9.437 1.00 88.05 15 A 1 ATOM 123 C CD1 . LEU A 0 15 . 19.406 7.788 -9.109 1.00 88.05 15 A 1 ATOM 124 C CD2 . LEU A 0 15 . 17.771 6.071 -8.408 1.00 88.05 15 A 1 ATOM 125 N N . THR A 0 16 . 17.278 5.017 -13.720 1.00 90.61 16 A 1 ATOM 126 C CA . THR A 0 16 . 16.220 4.954 -14.738 1.00 90.61 16 A 1 ATOM 127 C C . THR A 0 16 . 15.437 3.625 -14.740 1.00 90.61 16 A 1 ATOM 128 C CB . THR A 0 16 . 16.791 5.293 -16.122 1.00 90.61 16 A 1 ATOM 129 O O . THR A 0 16 . 14.202 3.688 -14.697 1.00 90.61 16 A 1 ATOM 130 C CG2 . THR A 0 16 . 15.716 5.298 -17.209 1.00 90.61 16 A 1 ATOM 131 O OG1 . THR A 0 16 . 17.318 6.603 -16.088 1.00 90.61 16 A 1 ATOM 132 N N . PRO A 0 17 . 16.071 2.431 -14.722 1.00 91.35 17 A 1 ATOM 133 C CA . PRO A 0 17 . 15.337 1.164 -14.635 1.00 91.35 17 A 1 ATOM 134 C C . PRO A 0 17 . 14.608 0.974 -13.294 1.00 91.35 17 A 1 ATOM 135 C CB . PRO A 0 17 . 16.382 0.069 -14.874 1.00 91.35 17 A 1 ATOM 136 O O . PRO A 0 17 . 13.524 0.394 -13.255 1.00 91.35 17 A 1 ATOM 137 C CG . PRO A 0 17 . 17.696 0.715 -14.442 1.00 91.35 17 A 1 ATOM 138 C CD . PRO A 0 17 . 17.499 2.165 -14.868 1.00 91.35 17 A 1 ATOM 139 N N . LEU A 0 18 . 15.142 1.505 -12.189 1.00 91.15 18 A 1 ATOM 140 C CA . LEU A 0 18 . 14.457 1.456 -10.892 1.00 91.15 18 A 1 ATOM 141 C C . LEU A 0 18 . 13.178 2.300 -10.909 1.00 91.15 18 A 1 ATOM 142 C CB . LEU A 0 18 . 15.402 1.924 -9.772 1.00 91.15 18 A 1 ATOM 143 O O . LEU A 0 18 . 12.141 1.878 -10.401 1.00 91.15 18 A 1 ATOM 144 C CG . LEU A 0 18 . 16.615 1.010 -9.532 1.00 91.15 18 A 1 ATOM 145 C CD1 . LEU A 0 18 . 17.544 1.663 -8.510 1.00 91.15 18 A 1 ATOM 146 C CD2 . LEU A 0 18 . 16.196 -0.362 -8.999 1.00 91.15 18 A 1 ATOM 147 N N . ILE A 0 19 . 13.222 3.473 -11.546 1.00 93.40 19 A 1 ATOM 148 C CA . ILE A 0 19 . 12.057 4.352 -11.688 1.00 93.40 19 A 1 ATOM 149 C C . ILE A 0 19 . 10.977 3.699 -12.562 1.00 93.40 19 A 1 ATOM 150 C CB . ILE A 0 19 . 12.493 5.734 -12.230 1.00 93.40 19 A 1 ATOM 151 O O . ILE A 0 19 . 9.789 3.833 -12.257 1.00 93.40 19 A 1 ATOM 152 C CG1 . ILE A 0 19 . 13.380 6.468 -11.196 1.00 93.40 19 A 1 ATOM 153 C CG2 . ILE A 0 19 . 11.269 6.609 -12.576 1.00 93.40 19 A 1 ATOM 154 C CD1 . ILE A 0 19 . 14.143 7.665 -11.778 1.00 93.40 19 A 1 ATOM 155 N N . SER A 0 20 . 11.342 2.992 -13.638 1.00 92.75 20 A 1 ATOM 156 C CA . SER A 0 20 . 10.361 2.294 -14.483 1.00 92.75 20 A 1 ATOM 157 C C . SER A 0 20 . 9.713 1.111 -13.753 1.00 92.75 20 A 1 ATOM 158 C CB . SER A 0 20 . 10.980 1.856 -15.815 1.00 92.75 20 A 1 ATOM 159 O O . SER A 0 20 . 8.488 0.947 -13.819 1.00 92.75 20 A 1 ATOM 160 O OG . SER A 0 20 . 11.950 0.859 -15.615 1.00 92.75 20 A 1 ATOM 161 N N . LEU A 0 21 . 10.495 0.352 -12.977 1.00 94.23 21 A 1 ATOM 162 C CA . LEU A 0 21 . 9.981 -0.711 -12.117 1.00 94.23 21 A 1 ATOM 163 C C . LEU A 0 21 . 9.024 -0.142 -11.061 1.00 94.23 21 A 1 ATOM 164 C CB . LEU A 0 21 . 11.160 -1.464 -11.476 1.00 94.23 21 A 1 ATOM 165 O O . LEU A 0 21 . 7.883 -0.592 -10.962 1.00 94.23 21 A 1 ATOM 166 C CG . LEU A 0 21 . 10.731 -2.727 -10.705 1.00 94.23 21 A 1 ATOM 167 C CD1 . LEU A 0 21 . 10.279 -3.840 -11.655 1.00 94.23 21 A 1 ATOM 168 C CD2 . LEU A 0 21 . 11.899 -3.254 -9.876 1.00 94.23 21 A 1 ATOM 169 N N . ALA A 0 22 . 9.436 0.907 -10.345 1.00 94.94 22 A 1 ATOM 170 C CA . ALA A 0 22 . 8.606 1.573 -9.345 1.00 94.94 22 A 1 ATOM 171 C C . ALA A 0 22 . 7.293 2.101 -9.946 1.00 94.94 22 A 1 ATOM 172 C CB . ALA A 0 22 . 9.423 2.702 -8.706 1.00 94.94 22 A 1 ATOM 173 O O . ALA A 0 22 . 6.225 1.930 -9.360 1.00 94.94 22 A 1 ATOM 174 N N . LYS A 0 23 . 7.329 2.684 -11.153 1.00 95.32 23 A 1 ATOM 175 C CA . LYS A 0 23 . 6.120 3.144 -11.857 1.00 95.32 23 A 1 ATOM 176 C C . LYS A 0 23 . 5.151 2.010 -12.185 1.00 95.32 23 A 1 ATOM 177 C CB . LYS A 0 23 . 6.506 3.877 -13.147 1.00 95.32 23 A 1 ATOM 178 O O . LYS A 0 23 . 3.941 2.224 -12.106 1.00 95.32 23 A 1 ATOM 179 C CG . LYS A 0 23 . 6.906 5.332 -12.879 1.00 95.32 23 A 1 ATOM 180 C CD . LYS A 0 23 . 7.365 5.991 -14.184 1.00 95.32 23 A 1 ATOM 181 C CE . LYS A 0 23 . 7.785 7.441 -13.929 1.00 95.32 23 A 1 ATOM 182 N NZ . LYS A 0 23 . 8.258 8.099 -15.174 1.00 95.32 23 A 1 ATOM 183 N N . THR A 0 24 . 5.666 0.835 -12.534 1.00 95.37 24 A 1 ATOM 184 C CA . THR A 0 24 . 4.850 -0.344 -12.857 1.00 95.37 24 A 1 ATOM 185 C C . THR A 0 24 . 4.253 -0.955 -11.588 1.00 95.37 24 A 1 ATOM 186 C CB . THR A 0 24 . 5.686 -1.372 -13.636 1.00 95.37 24 A 1 ATOM 187 O O . THR A 0 24 . 3.056 -1.232 -11.528 1.00 95.37 24 A 1 ATOM 188 C CG2 . THR A 0 24 . 4.834 -2.523 -14.167 1.00 95.37 24 A 1 ATOM 189 O OG1 . THR A 0 24 . 6.275 -0.736 -14.750 1.00 95.37 24 A 1 ATOM 190 N N . TRP A 0 25 . 5.057 -1.069 -10.530 1.00 96.43 25 A 1 ATOM 191 C CA . TRP A 0 25 . 4.665 -1.697 -9.268 1.00 96.43 25 A 1 ATOM 192 C C . TRP A 0 25 . 3.904 -0.786 -8.302 1.00 96.43 25 A 1 ATOM 193 C CB . TRP A 0 25 . 5.903 -2.309 -8.610 1.00 96.43 25 A 1 ATOM 194 O O . TRP A 0 25 . 3.320 -1.286 -7.346 1.00 96.43 25 A 1 ATOM 195 C CG . TRP A 0 25 . 6.307 -3.610 -9.223 1.00 96.43 25 A 1 ATOM 196 C CD1 . TRP A 0 25 . 7.077 -3.775 -10.322 1.00 96.43 25 A 1 ATOM 197 C CD2 . TRP A 0 25 . 5.933 -4.953 -8.794 1.00 96.43 25 A 1 ATOM 198 C CE2 . TRP A 0 25 . 6.535 -5.894 -9.682 1.00 96.43 25 A 1 ATOM 199 C CE3 . TRP A 0 25 . 5.148 -5.469 -7.740 1.00 96.43 25 A 1 ATOM 200 N NE1 . TRP A 0 25 . 7.217 -5.120 -10.595 1.00 96.43 25 A 1 ATOM 201 C CH2 . TRP A 0 25 . 5.597 -7.760 -8.467 1.00 96.43 25 A 1 ATOM 202 C CZ2 . TRP A 0 25 . 6.379 -7.277 -9.530 1.00 96.43 25 A 1 ATOM 203 C CZ3 . TRP A 0 25 . 4.983 -6.858 -7.578 1.00 96.43 25 A 1 ATOM 204 N N . ARG A 0 26 . 3.830 0.531 -8.545 1.00 96.68 26 A 1 ATOM 205 C CA . ARG A 0 26 . 3.167 1.476 -7.623 1.00 96.68 26 A 1 ATOM 206 C C . ARG A 0 26 . 1.732 1.083 -7.268 1.00 96.68 26 A 1 ATOM 207 C CB . ARG A 0 26 . 3.215 2.912 -8.178 1.00 96.68 26 A 1 ATOM 208 O O . ARG A 0 26 . 1.325 1.236 -6.125 1.00 96.68 26 A 1 ATOM 209 C CG . ARG A 0 26 . 2.267 3.152 -9.365 1.00 96.68 26 A 1 ATOM 210 C CD . ARG A 0 26 . 2.482 4.533 -9.978 1.00 96.68 26 A 1 ATOM 211 N NE . ARG A 0 26 . 1.637 4.714 -11.174 1.00 96.68 26 A 1 ATOM 212 N NH1 . ARG A 0 26 . 1.515 7.008 -11.124 1.00 96.68 26 A 1 ATOM 213 N NH2 . ARG A 0 26 . 0.482 5.888 -12.751 1.00 96.68 26 A 1 ATOM 214 C CZ . ARG A 0 26 . 1.214 5.864 -11.671 1.00 96.68 26 A 1 ATOM 215 N N . ARG A 0 27 . 0.960 0.591 -8.246 1.00 95.97 27 A 1 ATOM 216 C CA . ARG A 0 27 . -0.456 0.235 -8.065 1.00 95.97 27 A 1 ATOM 217 C C . ARG A 0 27 . -0.617 -1.015 -7.195 1.00 95.97 27 A 1 ATOM 218 C CB . ARG A 0 27 . -1.186 0.090 -9.408 1.00 95.97 27 A 1 ATOM 219 O O . ARG A 0 27 . -1.283 -0.901 -6.169 1.00 95.97 27 A 1 ATOM 220 C CG . ARG A 0 27 . -1.441 1.428 -10.111 1.00 95.97 27 A 1 ATOM 221 C CD . ARG A 0 27 . -2.192 1.159 -11.421 1.00 95.97 27 A 1 ATOM 222 N NE . ARG A 0 27 . -2.538 2.402 -12.136 1.00 95.97 27 A 1 ATOM 223 N NH1 . ARG A 0 27 . -3.034 1.425 -14.161 1.00 95.97 27 A 1 ATOM 224 N NH2 . ARG A 0 27 . -3.267 3.626 -13.918 1.00 95.97 27 A 1 ATOM 225 C CZ . ARG A 0 27 . -2.940 2.477 -13.396 1.00 95.97 27 A 1 ATOM 226 N N . PRO A 0 28 . -0.015 -2.173 -7.539 1.00 97.33 28 A 1 ATOM 227 C CA . PRO A 0 28 . -0.109 -3.346 -6.679 1.00 97.33 28 A 1 ATOM 228 C C . PRO A 0 28 . 0.530 -3.099 -5.309 1.00 97.33 28 A 1 ATOM 229 C CB . PRO A 0 28 . 0.555 -4.494 -7.446 1.00 97.33 28 A 1 ATOM 230 O O . PRO A 0 28 . -0.066 -3.472 -4.308 1.00 97.33 28 A 1 ATOM 231 C CG . PRO A 0 28 . 1.481 -3.795 -8.438 1.00 97.33 28 A 1 ATOM 232 C CD . PRO A 0 28 . 0.726 -2.506 -8.753 1.00 97.33 28 A 1 ATOM 233 N N . ALA A 0 29 . 1.674 -2.409 -5.231 1.00 97.36 29 A 1 ATOM 234 C CA . ALA A 0 29 . 2.299 -2.078 -3.950 1.00 97.36 29 A 1 ATOM 235 C C . ALA A 0 29 . 1.366 -1.251 -3.051 1.00 97.36 29 A 1 ATOM 236 C CB . ALA A 0 29 . 3.621 -1.348 -4.207 1.00 97.36 29 A 1 ATOM 237 O O . ALA A 0 29 . 1.206 -1.579 -1.882 1.00 97.36 29 A 1 ATOM 238 N N . ALA A 0 30 . 0.687 -0.237 -3.598 1.00 97.88 30 A 1 ATOM 239 C CA . ALA A 0 30 . -0.303 0.530 -2.845 1.00 97.88 30 A 1 ATOM 240 C C . ALA A 0 30 . -1.461 -0.351 -2.347 1.00 97.88 30 A 1 ATOM 241 C CB . ALA A 0 30 . -0.808 1.686 -3.715 1.00 97.88 30 A 1 ATOM 242 O O . ALA A 0 30 . -1.851 -0.238 -1.187 1.00 97.88 30 A 1 ATOM 243 N N . ALA A 0 31 . -1.978 -1.256 -3.185 1.00 98.11 31 A 1 ATOM 244 C CA . ALA A 0 31 . -3.045 -2.176 -2.791 1.00 98.11 31 A 1 ATOM 245 C C . ALA A 0 31 . -2.614 -3.109 -1.646 1.00 98.11 31 A 1 ATOM 246 C CB . ALA A 0 31 . -3.499 -2.964 -4.025 1.00 98.11 31 A 1 ATOM 247 O O . ALA A 0 31 . -3.357 -3.287 -0.679 1.00 98.11 31 A 1 ATOM 248 N N . TRP A 0 32 . -1.395 -3.651 -1.712 1.00 97.85 32 A 1 ATOM 249 C CA . TRP A 0 32 . -0.832 -4.480 -0.647 1.00 97.85 32 A 1 ATOM 250 C C . TRP A 0 32 . -0.603 -3.689 0.641 1.00 97.85 32 A 1 ATOM 251 C CB . TRP A 0 32 . 0.458 -5.150 -1.129 1.00 97.85 32 A 1 ATOM 252 O O . TRP A 0 32 . -0.970 -4.175 1.706 1.00 97.85 32 A 1 ATOM 253 C CG . TRP A 0 32 . 0.229 -6.281 -2.082 1.00 97.85 32 A 1 ATOM 254 C CD1 . TRP A 0 32 . 0.578 -6.314 -3.387 1.00 97.85 32 A 1 ATOM 255 C CD2 . TRP A 0 32 . -0.384 -7.576 -1.802 1.00 97.85 32 A 1 ATOM 256 C CE2 . TRP A 0 32 . -0.402 -8.335 -3.010 1.00 97.85 32 A 1 ATOM 257 C CE3 . TRP A 0 32 . -0.905 -8.194 -0.645 1.00 97.85 32 A 1 ATOM 258 N NE1 . TRP A 0 32 . 0.182 -7.512 -3.947 1.00 97.85 32 A 1 ATOM 259 C CH2 . TRP A 0 32 . -1.426 -10.223 -1.904 1.00 97.85 32 A 1 ATOM 260 C CZ2 . TRP A 0 32 . -0.916 -9.637 -3.074 1.00 97.85 32 A 1 ATOM 261 C CZ3 . TRP A 0 32 . -1.418 -9.504 -0.695 1.00 97.85 32 A 1 ATOM 262 N N . THR A 0 33 . -0.087 -2.459 0.562 1.00 98.01 33 A 1 ATOM 263 C CA . THR A 0 33 . 0.087 -1.589 1.736 1.00 98.01 33 A 1 ATOM 264 C C . THR A 0 33 . -1.247 -1.267 2.403 1.00 98.01 33 A 1 ATOM 265 C CB . THR A 0 33 . 0.804 -0.286 1.356 1.00 98.01 33 A 1 ATOM 266 O O . THR A 0 33 . -1.350 -1.343 3.625 1.00 98.01 33 A 1 ATOM 267 C CG2 . THR A 0 33 . 1.035 0.646 2.545 1.00 98.01 33 A 1 ATOM 268 O OG1 . THR A 0 33 . 2.079 -0.586 0.847 1.00 98.01 33 A 1 ATOM 269 N N . VAL A 0 34 . -2.288 -0.953 1.626 1.00 97.99 34 A 1 ATOM 270 C CA . VAL A 0 34 . -3.634 -0.709 2.170 1.00 97.99 34 A 1 ATOM 271 C C . VAL A 0 34 . -4.185 -1.973 2.825 1.00 97.99 34 A 1 ATOM 272 C CB . VAL A 0 34 . -4.586 -0.179 1.081 1.00 97.99 34 A 1 ATOM 273 O O . VAL A 0 34 . -4.659 -1.912 3.955 1.00 97.99 34 A 1 ATOM 274 C CG1 . VAL A 0 34 . -6.045 -0.118 1.553 1.00 97.99 34 A 1 ATOM 275 C CG2 . VAL A 0 34 . -4.185 1.243 0.667 1.00 97.99 34 A 1 ATOM 276 N N . THR A 0 35 . -4.073 -3.125 2.160 1.00 98.04 35 A 1 ATOM 277 C CA . THR A 0 35 . -4.561 -4.409 2.691 1.00 98.04 35 A 1 ATOM 278 C C . THR A 0 35 . -3.849 -4.780 3.991 1.00 98.04 35 A 1 ATOM 279 C CB . THR A 0 35 . -4.382 -5.531 1.658 1.00 98.04 35 A 1 ATOM 280 O O . THR A 0 35 . -4.501 -5.116 4.977 1.00 98.04 35 A 1 ATOM 281 C CG2 . THR A 0 35 . -4.990 -6.853 2.124 1.00 98.04 35 A 1 ATOM 282 O OG1 . THR A 0 35 . -5.025 -5.181 0.454 1.00 98.04 35 A 1 ATOM 283 N N . ALA A 0 36 . -2.520 -4.659 4.024 1.00 98.06 36 A 1 ATOM 284 C CA . ALA A 0 36 . -1.721 -4.893 5.221 1.00 98.06 36 A 1 ATOM 285 C C . ALA A 0 36 . -2.076 -3.906 6.343 1.00 98.06 36 A 1 ATOM 286 C CB . ALA A 0 36 . -0.238 -4.802 4.841 1.00 98.06 36 A 1 ATOM 287 O O . ALA A 0 36 . -2.183 -4.314 7.495 1.00 98.06 36 A 1 ATOM 288 N N . GLY A 0 37 . -2.319 -2.633 6.015 1.00 96.79 37 A 1 ATOM 289 C CA . GLY A 0 37 . -2.762 -1.623 6.975 1.00 96.79 37 A 1 ATOM 290 C C . GLY A 0 37 . -4.121 -1.953 7.595 1.00 96.79 37 A 1 ATOM 291 O O . GLY A 0 37 . -4.262 -1.903 8.813 1.00 96.79 37 A 1 ATOM 292 N N . VAL A 0 38 . -5.104 -2.359 6.786 1.00 95.27 38 A 1 ATOM 293 C CA . VAL A 0 38 . -6.420 -2.800 7.283 1.00 95.27 38 A 1 ATOM 294 C C . VAL A 0 38 . -6.279 -4.035 8.172 1.00 95.27 38 A 1 ATOM 295 C CB . VAL A 0 38 . -7.393 -3.068 6.117 1.00 95.27 38 A 1 ATOM 296 O O . VAL A 0 38 . -6.851 -4.076 9.260 1.00 95.27 38 A 1 ATOM 297 C CG1 . VAL A 0 38 . -8.712 -3.702 6.582 1.00 95.27 38 A 1 ATOM 298 C CG2 . VAL A 0 38 . -7.750 -1.757 5.403 1.00 95.27 38 A 1 ATOM 299 N N . LEU A 0 39 . -5.478 -5.016 7.749 1.00 96.39 39 A 1 ATOM 300 C CA . LEU A 0 39 . -5.233 -6.231 8.523 1.00 96.39 39 A 1 ATOM 301 C C . LEU A 0 39 . -4.542 -5.927 9.862 1.00 96.39 39 A 1 ATOM 302 C CB . LEU A 0 39 . -4.406 -7.188 7.649 1.00 96.39 39 A 1 ATOM 303 O O . LEU A 0 39 . -4.905 -6.491 10.890 1.00 96.39 39 A 1 ATOM 304 C CG . LEU A 0 39 . -4.264 -8.596 8.244 1.00 96.39 39 A 1 ATOM 305 C CD1 . LEU A 0 39 . -5.601 -9.342 8.278 1.00 96.39 39 A 1 ATOM 306 C CD2 . LEU A 0 39 . -3.271 -9.408 7.411 1.00 96.39 39 A 1 ATOM 307 N N . PHE A 0 40 . -3.584 -5.000 9.868 1.00 96.82 40 A 1 ATOM 308 C CA . PHE A 0 40 . -2.910 -4.544 11.081 1.00 96.82 40 A 1 ATOM 309 C C . PHE A 0 40 . -3.883 -3.867 12.053 1.00 96.82 40 A 1 ATOM 310 C CB . PHE A 0 40 . -1.770 -3.599 10.689 1.00 96.82 40 A 1 ATOM 311 O O . PHE A 0 40 . -3.888 -4.191 13.241 1.00 96.82 40 A 1 ATOM 312 C CG . PHE A 0 40 . -0.998 -3.073 11.880 1.00 96.82 40 A 1 ATOM 313 C CD1 . PHE A 0 40 . -1.358 -1.850 12.478 1.00 96.82 40 A 1 ATOM 314 C CD2 . PHE A 0 40 . 0.058 -3.832 12.415 1.00 96.82 40 A 1 ATOM 315 C CE1 . PHE A 0 40 . -0.660 -1.387 13.607 1.00 96.82 40 A 1 ATOM 316 C CE2 . PHE A 0 40 . 0.760 -3.366 13.540 1.00 96.82 40 A 1 ATOM 317 C CZ . PHE A 0 40 . 0.402 -2.143 14.134 1.00 96.82 40 A 1 ATOM 318 N N . VAL A 0 41 . -4.740 -2.967 11.556 1.00 93.69 41 A 1 ATOM 319 C CA . VAL A 0 41 . -5.786 -2.315 12.363 1.00 93.69 41 A 1 ATOM 320 C C . VAL A 0 41 . -6.747 -3.344 12.954 1.00 93.69 41 A 1 ATOM 321 C CB . VAL A 0 41 . -6.551 -1.275 11.521 1.00 93.69 41 A 1 ATOM 322 O O . VAL A 0 41 . -7.112 -3.226 14.121 1.00 93.69 41 A 1 ATOM 323 C CG1 . VAL A 0 41 . -7.802 -0.727 12.221 1.00 93.69 41 A 1 ATOM 324 C CG2 . VAL A 0 41 . -5.636 -0.082 11.231 1.00 93.69 41 A 1 ATOM 325 N N . TYR A 0 42 . -7.107 -4.368 12.177 1.00 90.46 42 A 1 ATOM 326 C CA . TYR A 0 42 . -7.962 -5.460 12.631 1.00 90.46 42 A 1 ATOM 327 C C . TYR A 0 42 . -7.308 -6.292 13.744 1.00 90.46 42 A 1 ATOM 328 C CB . TYR A 0 42 . -8.346 -6.325 11.424 1.00 90.46 42 A 1 ATOM 329 O O . TYR A 0 42 . -7.931 -6.522 14.776 1.00 90.46 42 A 1 ATOM 330 C CG . TYR A 0 42 . -9.215 -7.509 11.787 1.00 90.46 42 A 1 ATOM 331 C CD1 . TYR A 0 42 . -8.649 -8.795 11.899 1.00 90.46 42 A 1 ATOM 332 C CD2 . TYR A 0 42 . -10.582 -7.311 12.056 1.00 90.46 42 A 1 ATOM 333 C CE1 . TYR A 0 42 . -9.455 -9.887 12.277 1.00 90.46 42 A 1 ATOM 334 C CE2 . TYR A 0 42 . -11.389 -8.400 12.432 1.00 90.46 42 A 1 ATOM 335 O OH . TYR A 0 42 . -11.611 -10.734 12.915 1.00 90.46 42 A 1 ATOM 336 C CZ . TYR A 0 42 . -10.827 -9.688 12.545 1.00 90.46 42 A 1 ATOM 337 N N . PHE A 0 43 . -6.045 -6.705 13.584 1.00 93.90 43 A 1 ATOM 338 C CA . PHE A 0 43 . -5.355 -7.523 14.591 1.00 93.90 43 A 1 ATOM 339 C C . PHE A 0 43 . -5.048 -6.779 15.888 1.00 93.90 43 A 1 ATOM 340 C CB . PHE A 0 43 . -4.044 -8.079 14.020 1.00 93.90 43 A 1 ATOM 341 O O . PHE A 0 43 . -5.128 -7.360 16.965 1.00 93.90 43 A 1 ATOM 342 C CG . PHE A 0 43 . -4.212 -9.342 13.209 1.00 93.90 43 A 1 ATOM 343 C CD1 . PHE A 0 43 . -4.777 -10.486 13.804 1.00 93.90 43 A 1 ATOM 344 C CD2 . PHE A 0 43 . -3.756 -9.401 11.882 1.00 93.90 43 A 1 ATOM 345 C CE1 . PHE A 0 43 . -4.914 -11.673 13.066 1.00 93.90 43 A 1 ATOM 346 C CE2 . PHE A 0 43 . -3.878 -10.595 11.150 1.00 93.90 43 A 1 ATOM 347 C CZ . PHE A 0 43 . -4.467 -11.727 11.736 1.00 93.90 43 A 1 ATOM 348 N N . THR A 0 44 . -4.678 -5.505 15.792 1.00 91.32 44 A 1 ATOM 349 C CA . THR A 0 44 . -4.359 -4.681 16.968 1.00 91.32 44 A 1 ATOM 350 C C . THR A 0 44 . -5.603 -4.090 17.638 1.00 91.32 44 A 1 ATOM 351 C CB . THR A 0 44 . -3.349 -3.580 16.616 1.00 91.32 44 A 1 ATOM 352 O O . THR A 0 44 . -5.476 -3.444 18.676 1.00 91.32 44 A 1 ATOM 353 C CG2 . THR A 0 44 . -2.003 -4.165 16.186 1.00 91.32 44 A 1 ATOM 354 O OG1 . THR A 0 44 . -3.809 -2.774 15.555 1.00 91.32 44 A 1 ATOM 355 N N . ASP A 0 45 . -6.787 -4.298 17.044 1.00 87.50 45 A 1 ATOM 356 C CA . ASP A 0 45 . -8.071 -3.693 17.414 1.00 87.50 45 A 1 ATOM 357 C C . ASP A 0 45 . -7.921 -2.198 17.742 1.00 87.50 45 A 1 ATOM 358 C CB . ASP A 0 45 . -8.789 -4.540 18.481 1.00 87.50 45 A 1 ATOM 359 O O . ASP A 0 45 . -8.296 -1.704 18.810 1.00 87.50 45 A 1 ATOM 360 C CG . ASP A 0 45 . -10.320 -4.456 18.398 1.00 87.50 45 A 1 ATOM 361 O OD1 . ASP A 0 45 . -10.875 -4.142 17.315 1.00 87.50 45 A 1 ATOM 362 O OD2 . ASP A 0 45 . -10.997 -4.814 19.392 1.00 87.50 45 A 1 ATOM 363 N N . TRP A 0 46 . -7.273 -1.471 16.823 1.00 89.85 46 A 1 ATOM 364 C CA . TRP A 0 46 . -6.788 -0.119 17.083 1.00 89.85 46 A 1 ATOM 365 C C . TRP A 0 46 . -7.953 0.866 17.256 1.00 89.85 46 A 1 ATOM 366 C CB . TRP A 0 46 . -5.799 0.312 15.990 1.00 89.85 46 A 1 ATOM 367 O O . TRP A 0 46 . -8.454 1.442 16.287 1.00 89.85 46 A 1 ATOM 368 C CG . TRP A 0 46 . -5.011 1.567 16.243 1.00 89.85 46 A 1 ATOM 369 C CD1 . TRP A 0 46 . -5.050 2.345 17.352 1.00 89.85 46 A 1 ATOM 370 C CD2 . TRP A 0 46 . -3.967 2.146 15.399 1.00 89.85 46 A 1 ATOM 371 C CE2 . TRP A 0 46 . -3.448 3.306 16.047 1.00 89.85 46 A 1 ATOM 372 C CE3 . TRP A 0 46 . -3.374 1.780 14.171 1.00 89.85 46 A 1 ATOM 373 N NE1 . TRP A 0 46 . -4.146 3.382 17.231 1.00 89.85 46 A 1 ATOM 374 C CH2 . TRP A 0 46 . -1.865 3.700 14.262 1.00 89.85 46 A 1 ATOM 375 C CZ2 . TRP A 0 46 . -2.418 4.081 15.496 1.00 89.85 46 A 1 ATOM 376 C CZ3 . TRP A 0 46 . -2.339 2.550 13.605 1.00 89.85 46 A 1 ATOM 377 N N . LYS A 0 47 . -8.347 1.111 18.516 1.00 86.86 47 A 1 ATOM 378 C CA . LYS A 0 47 . -9.487 1.962 18.920 1.00 86.86 47 A 1 ATOM 379 C C . LYS A 0 47 . -9.567 3.301 18.183 1.00 86.86 47 A 1 ATOM 380 C CB . LYS A 0 47 . -9.449 2.213 20.443 1.00 86.86 47 A 1 ATOM 381 O O . LYS A 0 47 . -10.659 3.727 17.812 1.00 86.86 47 A 1 ATOM 382 C CG . LYS A 0 47 . -10.049 1.057 21.262 1.00 86.86 47 A 1 ATOM 383 C CD . LYS A 0 47 . -10.200 1.433 22.752 1.00 86.86 47 A 1 ATOM 384 C CE . LYS A 0 47 . -11.134 0.447 23.473 1.00 86.86 47 A 1 ATOM 385 N NZ . LYS A 0 47 . -11.426 0.835 24.882 1.00 86.86 47 A 1 ATOM 386 N N . VAL A 0 48 . -8.428 3.951 17.926 1.00 88.47 48 A 1 ATOM 387 C CA . VAL A 0 48 . -8.372 5.240 17.214 1.00 88.47 48 A 1 ATOM 388 C C . VAL A 0 48 . -9.000 5.125 15.822 1.00 88.47 48 A 1 ATOM 389 C CB . VAL A 0 48 . -6.920 5.753 17.111 1.00 88.47 48 A 1 ATOM 390 O O . VAL A 0 48 . -9.760 5.998 15.418 1.00 88.47 48 A 1 ATOM 391 C CG1 . VAL A 0 48 . -6.818 7.099 16.380 1.00 88.47 48 A 1 ATOM 392 C CG2 . VAL A 0 48 . -6.303 5.951 18.503 1.00 88.47 48 A 1 ATOM 393 N N . ILE A 0 49 . -8.722 4.057 15.081 1.00 89.65 49 A 1 ATOM 394 C CA . ILE A 0 49 . -9.262 3.877 13.729 1.00 89.65 49 A 1 ATOM 395 C C . ILE A 0 49 . -10.624 3.179 13.790 1.00 89.65 49 A 1 ATOM 396 C CB . ILE A 0 49 . -8.224 3.168 12.830 1.00 89.65 49 A 1 ATOM 397 O O . ILE A 0 49 . -11.567 3.626 13.140 1.00 89.65 49 A 1 ATOM 398 C CG1 . ILE A 0 49 . -6.966 4.068 12.719 1.00 89.65 49 A 1 ATOM 399 C CG2 . ILE A 0 49 . -8.828 2.892 11.440 1.00 89.65 49 A 1 ATOM 400 C CD1 . ILE A 0 49 . -5.816 3.500 11.883 1.00 89.65 49 A 1 ATOM 401 N N . CYS A 0 50 . -10.763 2.141 14.617 1.00 86.43 50 A 1 ATOM 402 C CA . CYS A 0 50 . -11.968 1.315 14.675 1.00 86.43 50 A 1 ATOM 403 C C . CYS A 0 50 . -13.231 2.076 15.122 1.00 86.43 50 A 1 ATOM 404 C CB . CYS A 0 50 . -11.687 0.117 15.588 1.00 86.43 50 A 1 ATOM 405 O O . CYS A 0 50 . -14.321 1.776 14.640 1.00 86.43 50 A 1 ATOM 406 S SG . CYS A 0 50 . -10.483 -0.997 14.811 1.00 86.43 50 A 1 ATOM 407 N N . THR A 0 51 . -13.108 3.096 15.978 1.00 87.37 51 A 1 ATOM 408 C CA . THR A 0 51 . -14.247 3.941 16.404 1.00 87.37 51 A 1 ATOM 409 C C . THR A 0 51 . -14.790 4.849 15.296 1.00 87.37 51 A 1 ATOM 410 C CB . THR A 0 51 . -13.878 4.821 17.606 1.00 87.37 51 A 1 ATOM 411 O O . THR A 0 51 . -15.931 5.299 15.377 1.00 87.37 51 A 1 ATOM 412 C CG2 . THR A 0 51 . -13.727 4.000 18.886 1.00 87.37 51 A 1 ATOM 413 O OG1 . THR A 0 51 . -12.666 5.499 17.354 1.00 87.37 51 A 1 ATOM 414 N N . ARG A 0 52 . -14.007 5.100 14.238 1.00 88.74 52 A 1 ATOM 415 C CA . ARG A 0 52 . -14.415 5.923 13.087 1.00 88.74 52 A 1 ATOM 416 C C . ARG A 0 52 . -15.146 5.129 12.006 1.00 88.74 52 A 1 ATOM 417 C CB . ARG A 0 52 . -13.186 6.631 12.498 1.00 88.74 52 A 1 ATOM 418 O O . ARG A 0 52 . -15.725 5.734 11.109 1.00 88.74 52 A 1 ATOM 419 C CG . ARG A 0 52 . -12.603 7.676 13.459 1.00 88.74 52 A 1 ATOM 420 C CD . ARG A 0 52 . -11.321 8.273 12.868 1.00 88.74 52 A 1 ATOM 421 N NE . ARG A 0 52 . -10.923 9.506 13.573 1.00 88.74 52 A 1 ATOM 422 N NH1 . ARG A 0 52 . -9.466 8.617 15.117 1.00 88.74 52 A 1 ATOM 423 N NH2 . ARG A 0 52 . -9.787 10.792 15.072 1.00 88.74 52 A 1 ATOM 424 C CZ . ARG A 0 52 . -10.067 9.624 14.573 1.00 88.74 52 A 1 ATOM 425 N N . ILE A 0 53 . -15.110 3.797 12.064 1.00 86.06 53 A 1 ATOM 426 C CA . ILE A 0 53 . -15.771 2.929 11.088 1.00 86.06 53 A 1 ATOM 427 C C . ILE A 0 53 . -17.268 2.860 11.439 1.00 86.06 53 A 1 ATOM 428 C CB . ILE A 0 53 . -15.100 1.539 11.041 1.00 86.06 53 A 1 ATOM 429 O O . ILE A 0 53 . -17.609 2.361 12.520 1.00 86.06 53 A 1 ATOM 430 C CG1 . ILE A 0 53 . -13.610 1.668 10.642 1.00 86.06 53 A 1 ATOM 431 C CG2 . ILE A 0 53 . -15.842 0.614 10.056 1.00 86.06 53 A 1 ATOM 432 C CD1 . ILE A 0 53 . -12.827 0.350 10.699 1.00 86.06 53 A 1 ATOM 433 N N . PRO A 0 54 . -18.175 3.324 10.552 1.00 82.05 54 A 1 ATOM 434 C CA . PRO A 0 54 . -19.610 3.175 10.763 1.00 82.05 54 A 1 ATOM 435 C C . PRO A 0 54 . -19.945 1.692 10.952 1.00 82.05 54 A 1 ATOM 436 C CB . PRO A 0 54 . -20.295 3.767 9.521 1.00 82.05 54 A 1 ATOM 437 O O . PRO A 0 54 . -19.409 0.849 10.238 1.00 82.05 54 A 1 ATOM 438 C CG . PRO A 0 54 . -19.221 4.647 8.884 1.00 82.05 54 A 1 ATOM 439 C CD . PRO A 0 54 . -17.923 3.939 9.257 1.00 82.05 54 A 1 ATOM 440 N N . LEU A 0 55 . -20.828 1.372 11.902 1.00 83.12 55 A 1 ATOM 441 C CA . LEU A 0 55 . -21.235 0.014 12.314 1.00 83.12 55 A 1 ATOM 442 C C . LEU A 0 55 . -20.252 -0.739 13.232 1.00 83.12 55 A 1 ATOM 443 C CB . LEU A 0 55 . -21.644 -0.864 11.105 1.00 83.12 55 A 1 ATOM 444 O O . LEU A 0 55 . -20.720 -1.420 14.143 1.00 83.12 55 A 1 ATOM 445 C CG . LEU A 0 55 . -22.608 -0.220 10.090 1.00 83.12 55 A 1 ATOM 446 C CD1 . LEU A 0 55 . -22.751 -1.118 8.862 1.00 83.12 55 A 1 ATOM 447 C CD2 . LEU A 0 55 . -23.989 -0.005 10.708 1.00 83.12 55 A 1 ATOM 448 N N . TYR A 0 56 . -18.931 -0.617 13.052 1.00 84.24 56 A 1 ATOM 449 C CA . TYR A 0 56 . -17.946 -1.332 13.892 1.00 84.24 56 A 1 ATOM 450 C C . TYR A 0 56 . -17.684 -0.635 15.240 1.00 84.24 56 A 1 ATOM 451 C CB . TYR A 0 56 . -16.645 -1.545 13.105 1.00 84.24 56 A 1 ATOM 452 O O . TYR A 0 56 . -17.308 -1.275 16.221 1.00 84.24 56 A 1 ATOM 453 C CG . TYR A 0 56 . -15.714 -2.591 13.699 1.00 84.24 56 A 1 ATOM 454 C CD1 . TYR A 0 56 . -14.589 -2.198 14.451 1.00 84.24 56 A 1 ATOM 455 C CD2 . TYR A 0 56 . -15.970 -3.962 13.496 1.00 84.24 56 A 1 ATOM 456 C CE1 . TYR A 0 56 . -13.727 -3.168 15.004 1.00 84.24 56 A 1 ATOM 457 C CE2 . TYR A 0 56 . -15.112 -4.935 14.052 1.00 84.24 56 A 1 ATOM 458 O OH . TYR A 0 56 . -13.164 -5.466 15.373 1.00 84.24 56 A 1 ATOM 459 C CZ . TYR A 0 56 . -13.989 -4.539 14.812 1.00 84.24 56 A 1 ATOM 460 N N . ASN A 0 57 . -17.954 0.672 15.322 1.00 80.71 57 A 1 ATOM 461 C CA . ASN A 0 57 . -17.782 1.464 16.541 1.00 80.71 57 A 1 ATOM 462 C C . ASN A 0 57 . -18.619 0.972 17.738 1.00 80.71 57 A 1 ATOM 463 C CB . ASN A 0 57 . -18.062 2.942 16.221 1.00 80.71 57 A 1 ATOM 464 O O . ASN A 0 57 . -18.230 1.211 18.877 1.00 80.71 57 A 1 ATOM 465 C CG . ASN A 0 57 . -19.521 3.282 15.959 1.00 80.71 57 A 1 ATOM 466 N ND2 . ASN A 0 57 . -19.861 4.546 16.027 1.00 80.71 57 A 1 ATOM 467 O OD1 . ASN A 0 57 . -20.364 2.443 15.670 1.00 80.71 57 A 1 ATOM 468 N N . ARG A 0 58 . -19.715 0.237 17.499 1.00 78.99 58 A 1 ATOM 469 C CA . ARG A 0 58 . -20.617 -0.280 18.542 1.00 78.99 58 A 1 ATOM 470 C C . ARG A 0 58 . -19.934 -1.204 19.552 1.00 78.99 58 A 1 ATOM 471 C CB . ARG A 0 58 . -21.815 -0.999 17.906 1.00 78.99 58 A 1 ATOM 472 O O . ARG A 0 58 . -20.415 -1.299 20.669 1.00 78.99 58 A 1 ATOM 473 C CG . ARG A 0 58 . -22.716 -0.064 17.084 1.00 78.99 58 A 1 ATOM 474 C CD . ARG A 0 58 . -23.890 -0.828 16.459 1.00 78.99 58 A 1 ATOM 475 N NE . ARG A 0 58 . -24.836 -1.331 17.477 1.00 78.99 58 A 1 ATOM 476 N NH1 . ARG A 0 58 . -26.003 -2.786 16.137 1.00 78.99 58 A 1 ATOM 477 N NH2 . ARG A 0 58 . -26.566 -2.570 18.287 1.00 78.99 58 A 1 ATOM 478 C CZ . ARG A 0 58 . -25.794 -2.224 17.296 1.00 78.99 58 A 1 ATOM 479 N N . LYS A 0 59 . -18.818 -1.851 19.187 1.00 73.71 59 A 1 ATOM 480 C CA . LYS A 0 59 . -18.008 -2.681 20.102 1.00 73.71 59 A 1 ATOM 481 C C . LYS A 0 59 . -17.304 -1.854 21.192 1.00 73.71 59 A 1 ATOM 482 C CB . LYS A 0 59 . -16.991 -3.473 19.257 1.00 73.71 59 A 1 ATOM 483 O O . LYS A 0 59 . -16.913 -2.404 22.213 1.00 73.71 59 A 1 ATOM 484 C CG . LYS A 0 59 . -16.206 -4.532 20.053 1.00 73.71 59 A 1 ATOM 485 C CD . LYS A 0 59 . -15.125 -5.182 19.184 1.00 73.71 59 A 1 ATOM 486 C CE . LYS A 0 59 . -14.313 -6.185 20.010 1.00 73.71 59 A 1 ATOM 487 N NZ . LYS A 0 59 . -13.057 -6.553 19.313 1.00 73.71 59 A 1 ATOM 488 N N . PHE A 0 60 . -17.113 -0.555 20.958 1.00 75.27 60 A 1 ATOM 489 C CA . PHE A 0 60 . -16.351 0.349 21.826 1.00 75.27 60 A 1 ATOM 490 C C . PHE A 0 60 . -17.193 1.460 22.443 1.00 75.27 60 A 1 ATOM 491 C CB . PHE A 0 60 . -15.210 0.986 21.029 1.00 75.27 60 A 1 ATOM 492 O O . PHE A 0 60 . -16.623 2.306 23.123 1.00 75.27 60 A 1 ATOM 493 C CG . PHE A 0 60 . -14.335 0.001 20.305 1.00 75.27 60 A 1 ATOM 494 C CD1 . PHE A 0 60 . -13.434 -0.802 21.026 1.00 75.27 60 A 1 ATOM 495 C CD2 . PHE A 0 60 . -14.469 -0.149 18.915 1.00 75.27 60 A 1 ATOM 496 C CE1 . PHE A 0 60 . -12.602 -1.703 20.344 1.00 75.27 60 A 1 ATOM 497 C CE2 . PHE A 0 60 . -13.681 -1.089 18.244 1.00 75.27 60 A 1 ATOM 498 C CZ . PHE A 0 60 . -12.727 -1.832 18.953 1.00 75.27 60 A 1 ATOM 499 N N . LEU A 0 61 . -18.500 1.486 22.168 1.00 67.74 61 A 1 ATOM 500 C CA . LEU A 0 61 . -19.431 2.341 22.890 1.00 67.74 61 A 1 ATOM 501 C C . LEU A 0 61 . -19.581 1.731 24.283 1.00 67.74 61 A 1 ATOM 502 C CB . LEU A 0 61 . -20.771 2.437 22.134 1.00 67.74 61 A 1 ATOM 503 O O . LEU A 0 61 . -20.330 0.777 24.459 1.00 67.74 61 A 1 ATOM 504 C CG . LEU A 0 61 . -20.692 3.145 20.769 1.00 67.74 61 A 1 ATOM 505 C CD1 . LEU A 0 61 . -22.016 2.996 20.012 1.00 67.74 61 A 1 ATOM 506 C CD2 . LEU A 0 61 . -20.397 4.641 20.889 1.00 67.74 61 A 1 ATOM 507 N N . ASP A 0 62 . -18.753 2.227 25.192 1.00 61.90 62 A 1 ATOM 508 C CA . ASP A 0 62 . -18.950 2.302 26.629 1.00 61.90 62 A 1 ATOM 509 C C . ASP A 0 62 . -19.577 1.070 27.288 1.00 61.90 62 A 1 ATOM 510 C CB . ASP A 0 62 . -19.670 3.624 26.930 1.00 61.90 62 A 1 ATOM 511 O O . ASP A 0 62 . -20.787 0.931 27.445 1.00 61.90 62 A 1 ATOM 512 C CG . ASP A 0 62 . -18.854 4.850 26.466 1.00 61.90 62 A 1 ATOM 513 O OD1 . ASP A 0 62 . -17.674 4.663 26.076 1.00 61.90 62 A 1 ATOM 514 O OD2 . ASP A 0 62 . -19.479 5.921 26.296 1.00 61.90 62 A 1 ATOM 515 N N . SER A 0 63 . -18.683 0.242 27.819 1.00 56.26 63 A 1 ATOM 516 C CA . SER A 0 63 . -18.848 -0.283 29.173 1.00 56.26 63 A 1 ATOM 517 C C . SER A 0 63 . -18.453 0.778 30.221 1.00 56.26 63 A 1 ATOM 518 C CB . SER A 0 63 . -18.060 -1.593 29.315 1.00 56.26 63 A 1 ATOM 519 O O . SER A 0 63 . -17.854 0.420 31.229 1.00 56.26 63 A 1 ATOM 520 O OG . SER A 0 63 . -16.706 -1.416 28.936 1.00 56.26 63 A 1 ATOM 521 N N . ASP A 0 64 . -18.731 2.067 29.967 1.00 56.99 64 A 1 ATOM 522 C CA . ASP A 0 64 . -18.642 3.145 30.966 1.00 56.99 64 A 1 ATOM 523 C C . ASP A 0 64 . -19.912 3.115 31.836 1.00 56.99 64 A 1 ATOM 524 C CB . ASP A 0 64 . -18.374 4.540 30.347 1.00 56.99 64 A 1 ATOM 525 O O . ASP A 0 64 . -20.699 4.064 31.886 1.00 56.99 64 A 1 ATOM 526 C CG . ASP A 0 64 . -16.992 4.742 29.703 1.00 56.99 64 A 1 ATOM 527 O OD1 . ASP A 0 64 . -16.102 3.872 29.862 1.00 56.99 64 A 1 ATOM 528 O OD2 . ASP A 0 64 . -16.790 5.822 29.104 1.00 56.99 64 A 1 ATOM 529 N N . GLU A 0 65 . -20.110 1.966 32.482 1.00 47.30 65 A 1 ATOM 530 C CA . GLU A 0 65 . -20.842 1.839 33.742 1.00 47.30 65 A 1 ATOM 531 C C . GLU A 0 65 . -19.820 1.750 34.883 1.00 47.30 65 A 1 ATOM 532 C CB . GLU A 0 65 . -21.813 0.641 33.684 1.00 47.30 65 A 1 ATOM 533 O O . GLU A 0 65 . -18.825 0.999 34.730 1.00 47.30 65 A 1 ATOM 534 C CG . GLU A 0 65 . -22.887 0.705 34.788 1.00 47.30 65 A 1 ATOM 535 C CD . GLU A 0 65 . -23.922 -0.445 34.760 1.00 47.30 65 A 1 ATOM 536 O OE1 . GLU A 0 65 . -24.847 -0.410 35.610 1.00 47.30 65 A 1 ATOM 537 O OE2 . GLU A 0 65 . -23.826 -1.362 33.907 1.00 47.30 65 A 1 ATOM 538 O OXT . GLU A 0 65 . -20.020 2.489 35.871 1.00 47.30 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 86.42 # loop_ _atom_type.symbol C N O S #