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 LYS 0 3 LEU 0 4 PHE 0 5 GLY 0 6 THR 0 7 SER 0 8 CYS 0 9 LEU 0 10 LEU 0 11 ILE 0 12 VAL 0 13 CYS 0 14 LEU 0 15 ILE 0 16 GLN 0 17 ILE 0 18 LEU 0 19 VAL 0 20 PRO 0 21 VAL 0 22 CYS 0 23 LYS 0 24 SER 0 25 ILE 0 26 GLN 0 27 CYS 0 28 ASN 0 29 GLY 0 30 ASN 0 31 LYS 0 32 CYS 0 33 CYS 0 34 ASP 0 35 ILE 0 36 ASP 0 37 VAL 0 38 THR 0 39 LYS 0 40 SER 0 41 ASN 0 42 LEU 0 43 THR 0 44 THR 0 45 THR 0 46 LEU 0 47 CYS 0 48 CYS 0 49 VAL 0 50 LYS 0 51 MET 0 52 VAL 0 53 VAL 0 54 THR 0 55 VAL 0 56 ASP 0 57 ASN 0 58 PRO 0 59 GLU 0 60 LEU 0 61 THR 0 62 LEU 0 63 LYS 0 64 ASN 0 65 TYR 0 66 LEU 0 67 ARG 0 68 LYS 0 69 ALA 0 70 GLN 0 71 MET 0 72 ILE 0 73 ASP 0 74 LYS 0 75 LEU 0 76 ARG 0 77 GLU 0 78 ALA 0 79 VAL 0 80 GLN 0 81 LYS 0 82 LEU 0 83 GLY 0 84 GLY 0 85 ARG # 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 . -21.466 -8.942 27.885 1.00 36.44 1 A 1 ATOM 2 C CA . MET A 0 1 . -20.077 -9.081 27.394 1.00 36.44 1 A 1 ATOM 3 C C . MET A 0 1 . -20.088 -9.114 25.867 1.00 36.44 1 A 1 ATOM 4 C CB . MET A 0 1 . -19.404 -10.349 27.956 1.00 36.44 1 A 1 ATOM 5 O O . MET A 0 1 . -20.819 -9.915 25.311 1.00 36.44 1 A 1 ATOM 6 C CG . MET A 0 1 . -19.041 -10.224 29.444 1.00 36.44 1 A 1 ATOM 7 S SD . MET A 0 1 . -18.317 -11.737 30.124 1.00 36.44 1 A 1 ATOM 8 C CE . MET A 0 1 . -17.893 -11.201 31.807 1.00 36.44 1 A 1 ATOM 9 N N . LYS A 0 2 . -19.292 -8.228 25.247 1.00 37.33 2 A 1 ATOM 10 C CA . LYS A 0 2 . -18.721 -8.259 23.880 1.00 37.33 2 A 1 ATOM 11 C C . LYS A 0 2 . -19.678 -8.402 22.673 1.00 37.33 2 A 1 ATOM 12 C CB . LYS A 0 2 . -17.567 -9.287 23.849 1.00 37.33 2 A 1 ATOM 13 O O . LYS A 0 2 . -19.817 -9.477 22.112 1.00 37.33 2 A 1 ATOM 14 C CG . LYS A 0 2 . -16.402 -8.884 24.777 1.00 37.33 2 A 1 ATOM 15 C CD . LYS A 0 2 . -15.326 -9.975 24.877 1.00 37.33 2 A 1 ATOM 16 C CE . LYS A 0 2 . -14.175 -9.491 25.777 1.00 37.33 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -13.240 -10.589 26.139 1.00 37.33 2 A 1 ATOM 18 N N . LEU A 0 3 . -20.189 -7.262 22.189 1.00 44.76 3 A 1 ATOM 19 C CA . LEU A 0 3 . -20.761 -7.079 20.836 1.00 44.76 3 A 1 ATOM 20 C C . LEU A 0 3 . -19.755 -6.473 19.820 1.00 44.76 3 A 1 ATOM 21 C CB . LEU A 0 3 . -22.086 -6.282 20.932 1.00 44.76 3 A 1 ATOM 22 O O . LEU A 0 3 . -20.138 -6.014 18.751 1.00 44.76 3 A 1 ATOM 23 C CG . LEU A 0 3 . -23.345 -7.178 21.012 1.00 44.76 3 A 1 ATOM 24 C CD1 . LEU A 0 3 . -24.125 -6.922 22.301 1.00 44.76 3 A 1 ATOM 25 C CD2 . LEU A 0 3 . -24.277 -6.921 19.826 1.00 44.76 3 A 1 ATOM 26 N N . PHE A 0 4 . -18.450 -6.508 20.109 1.00 47.74 4 A 1 ATOM 27 C CA . PHE A 0 4 . -17.377 -5.898 19.297 1.00 47.74 4 A 1 ATOM 28 C C . PHE A 0 4 . -16.975 -6.698 18.030 1.00 47.74 4 A 1 ATOM 29 C CB . PHE A 0 4 . -16.174 -5.593 20.215 1.00 47.74 4 A 1 ATOM 30 O O . PHE A 0 4 . -15.820 -6.664 17.615 1.00 47.74 4 A 1 ATOM 31 C CG . PHE A 0 4 . -16.332 -4.332 21.037 1.00 47.74 4 A 1 ATOM 32 C CD1 . PHE A 0 4 . -16.000 -3.091 20.460 1.00 47.74 4 A 1 ATOM 33 C CD2 . PHE A 0 4 . -16.793 -4.386 22.366 1.00 47.74 4 A 1 ATOM 34 C CE1 . PHE A 0 4 . -16.137 -1.908 21.204 1.00 47.74 4 A 1 ATOM 35 C CE2 . PHE A 0 4 . -16.932 -3.199 23.109 1.00 47.74 4 A 1 ATOM 36 C CZ . PHE A 0 4 . -16.606 -1.961 22.526 1.00 47.74 4 A 1 ATOM 37 N N . GLY A 0 5 . -17.894 -7.456 17.423 1.00 50.71 5 A 1 ATOM 38 C CA . GLY A 0 5 . -17.575 -8.358 16.302 1.00 50.71 5 A 1 ATOM 39 C C . GLY A 0 5 . -17.821 -7.780 14.905 1.00 50.71 5 A 1 ATOM 40 O O . GLY A 0 5 . -17.083 -8.078 13.970 1.00 50.71 5 A 1 ATOM 41 N N . THR A 0 6 . -18.846 -6.946 14.737 1.00 49.61 6 A 1 ATOM 42 C CA . THR A 0 6 . -19.379 -6.594 13.407 1.00 49.61 6 A 1 ATOM 43 C C . THR A 0 6 . -18.849 -5.278 12.845 1.00 49.61 6 A 1 ATOM 44 C CB . THR A 0 6 . -20.919 -6.597 13.430 1.00 49.61 6 A 1 ATOM 45 O O . THR A 0 6 . -18.696 -5.147 11.632 1.00 49.61 6 A 1 ATOM 46 C CG2 . THR A 0 6 . -21.467 -7.950 12.984 1.00 49.61 6 A 1 ATOM 47 O OG1 . THR A 0 6 . -21.411 -6.369 14.737 1.00 49.61 6 A 1 ATOM 48 N N . SER A 0 7 . -18.493 -4.315 13.693 1.00 51.38 7 A 1 ATOM 49 C CA . SER A 0 7 . -17.990 -3.003 13.260 1.00 51.38 7 A 1 ATOM 50 C C . SER A 0 7 . -16.545 -3.046 12.743 1.00 51.38 7 A 1 ATOM 51 C CB . SER A 0 7 . -18.178 -1.965 14.379 1.00 51.38 7 A 1 ATOM 52 O O . SER A 0 7 . -16.216 -2.326 11.802 1.00 51.38 7 A 1 ATOM 53 O OG . SER A 0 7 . -18.203 -2.570 15.664 1.00 51.38 7 A 1 ATOM 54 N N . CYS A 0 8 . -15.696 -3.937 13.266 1.00 47.65 8 A 1 ATOM 55 C CA . CYS A 0 8 . -14.329 -4.115 12.756 1.00 47.65 8 A 1 ATOM 56 C C . CYS A 0 8 . -14.290 -4.731 11.350 1.00 47.65 8 A 1 ATOM 57 C CB . CYS A 0 8 . -13.514 -4.965 13.740 1.00 47.65 8 A 1 ATOM 58 O O . CYS A 0 8 . -13.434 -4.359 10.550 1.00 47.65 8 A 1 ATOM 59 S SG . CYS A 0 8 . -12.947 -3.917 15.107 1.00 47.65 8 A 1 ATOM 60 N N . LEU A 0 9 . -15.225 -5.630 11.022 1.00 51.24 9 A 1 ATOM 61 C CA . LEU A 0 9 . -15.287 -6.266 9.702 1.00 51.24 9 A 1 ATOM 62 C C . LEU A 0 9 . -15.552 -5.241 8.594 1.00 51.24 9 A 1 ATOM 63 C CB . LEU A 0 9 . -16.362 -7.368 9.713 1.00 51.24 9 A 1 ATOM 64 O O . LEU A 0 9 . -14.878 -5.267 7.571 1.00 51.24 9 A 1 ATOM 65 C CG . LEU A 0 9 . -15.874 -8.682 10.349 1.00 51.24 9 A 1 ATOM 66 C CD1 . LEU A 0 9 . -17.067 -9.559 10.726 1.00 51.24 9 A 1 ATOM 67 C CD2 . LEU A 0 9 . -14.988 -9.473 9.383 1.00 51.24 9 A 1 ATOM 68 N N . LEU A 0 10 . -16.457 -4.286 8.827 1.00 52.50 10 A 1 ATOM 69 C CA . LEU A 0 10 . -16.751 -3.221 7.863 1.00 52.50 10 A 1 ATOM 70 C C . LEU A 0 10 . -15.544 -2.310 7.610 1.00 52.50 10 A 1 ATOM 71 C CB . LEU A 0 10 . -17.954 -2.405 8.367 1.00 52.50 10 A 1 ATOM 72 O O . LEU A 0 10 . -15.284 -1.938 6.468 1.00 52.50 10 A 1 ATOM 73 C CG . LEU A 0 10 . -19.304 -3.114 8.164 1.00 52.50 10 A 1 ATOM 74 C CD1 . LEU A 0 10 . -20.395 -2.363 8.928 1.00 52.50 10 A 1 ATOM 75 C CD2 . LEU A 0 10 . -19.703 -3.162 6.686 1.00 52.50 10 A 1 ATOM 76 N N . ILE A 0 11 . -14.780 -1.988 8.656 1.00 57.89 11 A 1 ATOM 77 C CA . ILE A 0 11 . -13.575 -1.156 8.541 1.00 57.89 11 A 1 ATOM 78 C C . ILE A 0 11 . -12.486 -1.902 7.760 1.00 57.89 11 A 1 ATOM 79 C CB . ILE A 0 11 . -13.101 -0.700 9.940 1.00 57.89 11 A 1 ATOM 80 O O . ILE A 0 11 . -11.879 -1.326 6.859 1.00 57.89 11 A 1 ATOM 81 C CG1 . ILE A 0 11 . -14.176 0.194 10.605 1.00 57.89 11 A 1 ATOM 82 C CG2 . ILE A 0 11 . -11.767 0.064 9.843 1.00 57.89 11 A 1 ATOM 83 C CD1 . ILE A 0 11 . -13.934 0.449 12.097 1.00 57.89 11 A 1 ATOM 84 N N . VAL A 0 12 . -12.276 -3.193 8.038 1.00 57.72 12 A 1 ATOM 85 C CA . VAL A 0 12 . -11.316 -4.022 7.291 1.00 57.72 12 A 1 ATOM 86 C C . VAL A 0 12 . -11.750 -4.178 5.830 1.00 57.72 12 A 1 ATOM 87 C CB . VAL A 0 12 . -11.106 -5.384 7.980 1.00 57.72 12 A 1 ATOM 88 O O . VAL A 0 12 . -10.909 -4.056 4.942 1.00 57.72 12 A 1 ATOM 89 C CG1 . VAL A 0 12 . -10.187 -6.310 7.170 1.00 57.72 12 A 1 ATOM 90 C CG2 . VAL A 0 12 . -10.448 -5.204 9.357 1.00 57.72 12 A 1 ATOM 91 N N . CYS A 0 13 . -13.046 -4.356 5.553 1.00 56.53 13 A 1 ATOM 92 C CA . CYS A 0 13 . -13.575 -4.385 4.188 1.00 56.53 13 A 1 ATOM 93 C C . CYS A 0 13 . -13.335 -3.061 3.447 1.00 56.53 13 A 1 ATOM 94 C CB . CYS A 0 13 . -15.070 -4.734 4.214 1.00 56.53 13 A 1 ATOM 95 O O . CYS A 0 13 . -12.872 -3.085 2.311 1.00 56.53 13 A 1 ATOM 96 S SG . CYS A 0 13 . -15.305 -6.502 4.556 1.00 56.53 13 A 1 ATOM 97 N N . LEU A 0 14 . -13.575 -1.908 4.083 1.00 56.40 14 A 1 ATOM 98 C CA . LEU A 0 14 . -13.301 -0.599 3.476 1.00 56.40 14 A 1 ATOM 99 C C . LEU A 0 14 . -11.807 -0.398 3.190 1.00 56.40 14 A 1 ATOM 100 C CB . LEU A 0 14 . -13.837 0.516 4.390 1.00 56.40 14 A 1 ATOM 101 O O . LEU A 0 14 . -11.457 0.124 2.133 1.00 56.40 14 A 1 ATOM 102 C CG . LEU A 0 14 . -15.367 0.679 4.341 1.00 56.40 14 A 1 ATOM 103 C CD1 . LEU A 0 14 . -15.823 1.574 5.495 1.00 56.40 14 A 1 ATOM 104 C CD2 . LEU A 0 14 . -15.830 1.322 3.030 1.00 56.40 14 A 1 ATOM 105 N N . ILE A 0 15 . -10.925 -0.856 4.083 1.00 57.56 15 A 1 ATOM 106 C CA . ILE A 0 15 . -9.471 -0.797 3.876 1.00 57.56 15 A 1 ATOM 107 C C . ILE A 0 15 . -9.043 -1.713 2.718 1.00 57.56 15 A 1 ATOM 108 C CB . ILE A 0 15 . -8.724 -1.108 5.194 1.00 57.56 15 A 1 ATOM 109 O O . ILE A 0 15 . -8.201 -1.308 1.921 1.00 57.56 15 A 1 ATOM 110 C CG1 . ILE A 0 15 . -8.994 -0.005 6.247 1.00 57.56 15 A 1 ATOM 111 C CG2 . ILE A 0 15 . -7.204 -1.219 4.963 1.00 57.56 15 A 1 ATOM 112 C CD1 . ILE A 0 15 . -8.627 -0.422 7.678 1.00 57.56 15 A 1 ATOM 113 N N . GLN A 0 16 . -9.646 -2.900 2.571 1.00 50.99 16 A 1 ATOM 114 C CA . GLN A 0 16 . -9.361 -3.803 1.445 1.00 50.99 16 A 1 ATOM 115 C C . GLN A 0 16 . -9.905 -3.302 0.099 1.00 50.99 16 A 1 ATOM 116 C CB . GLN A 0 16 . -9.889 -5.217 1.734 1.00 50.99 16 A 1 ATOM 117 O O . GLN A 0 16 . -9.324 -3.606 -0.938 1.00 50.99 16 A 1 ATOM 118 C CG . GLN A 0 16 . -9.034 -5.928 2.795 1.00 50.99 16 A 1 ATOM 119 C CD . GLN A 0 16 . -9.179 -7.444 2.791 1.00 50.99 16 A 1 ATOM 120 N NE2 . GLN A 0 16 . -8.592 -8.121 3.753 1.00 50.99 16 A 1 ATOM 121 O OE1 . GLN A 0 16 . -9.780 -8.068 1.936 1.00 50.99 16 A 1 ATOM 122 N N . ILE A 0 17 . -10.982 -2.510 0.100 1.00 55.54 17 A 1 ATOM 123 C CA . ILE A 0 17 . -11.479 -1.837 -1.112 1.00 55.54 17 A 1 ATOM 124 C C . ILE A 0 17 . -10.574 -0.647 -1.477 1.00 55.54 17 A 1 ATOM 125 C CB . ILE A 0 17 . -12.958 -1.417 -0.923 1.00 55.54 17 A 1 ATOM 126 O O . ILE A 0 17 . -10.334 -0.395 -2.656 1.00 55.54 17 A 1 ATOM 127 C CG1 . ILE A 0 17 . -13.875 -2.652 -0.748 1.00 55.54 17 A 1 ATOM 128 C CG2 . ILE A 0 17 . -13.464 -0.594 -2.125 1.00 55.54 17 A 1 ATOM 129 C CD1 . ILE A 0 17 . -15.248 -2.317 -0.146 1.00 55.54 17 A 1 ATOM 130 N N . LEU A 0 18 . -10.059 0.086 -0.480 1.00 52.06 18 A 1 ATOM 131 C CA . LEU A 0 18 . -9.233 1.282 -0.699 1.00 52.06 18 A 1 ATOM 132 C C . LEU A 0 18 . -7.768 0.957 -1.032 1.00 52.06 18 A 1 ATOM 133 C CB . LEU A 0 18 . -9.335 2.186 0.544 1.00 52.06 18 A 1 ATOM 134 O O . LEU A 0 18 . -7.086 1.744 -1.689 1.00 52.06 18 A 1 ATOM 135 C CG . LEU A 0 18 . -9.105 3.672 0.226 1.00 52.06 18 A 1 ATOM 136 C CD1 . LEU A 0 18 . -10.329 4.287 -0.462 1.00 52.06 18 A 1 ATOM 137 C CD2 . LEU A 0 18 . -8.857 4.452 1.518 1.00 52.06 18 A 1 ATOM 138 N N . VAL A 0 19 . -7.287 -0.199 -0.585 1.00 47.77 19 A 1 ATOM 139 C CA . VAL A 0 19 . -5.977 -0.748 -0.916 1.00 47.77 19 A 1 ATOM 140 C C . VAL A 0 19 . -6.248 -2.121 -1.514 1.00 47.77 19 A 1 ATOM 141 C CB . VAL A 0 19 . -5.065 -0.829 0.329 1.00 47.77 19 A 1 ATOM 142 O O . VAL A 0 19 . -6.337 -3.081 -0.747 1.00 47.77 19 A 1 ATOM 143 C CG1 . VAL A 0 19 . -3.643 -1.249 -0.070 1.00 47.77 19 A 1 ATOM 144 C CG2 . VAL A 0 19 . -4.973 0.518 1.057 1.00 47.77 19 A 1 ATOM 145 N N . PRO A 0 20 . -6.411 -2.258 -2.846 1.00 49.99 20 A 1 ATOM 146 C CA . PRO A 0 20 . -6.371 -3.578 -3.448 1.00 49.99 20 A 1 ATOM 147 C C . PRO A 0 20 . -5.013 -4.153 -3.064 1.00 49.99 20 A 1 ATOM 148 C CB . PRO A 0 20 . -6.565 -3.379 -4.954 1.00 49.99 20 A 1 ATOM 149 O O . PRO A 0 20 . -3.970 -3.683 -3.528 1.00 49.99 20 A 1 ATOM 150 C CG . PRO A 0 20 . -6.115 -1.938 -5.194 1.00 49.99 20 A 1 ATOM 151 C CD . PRO A 0 20 . -6.419 -1.226 -3.873 1.00 49.99 20 A 1 ATOM 152 N N . VAL A 0 21 . -5.030 -5.093 -2.115 1.00 45.92 21 A 1 ATOM 153 C CA . VAL A 0 21 . -3.858 -5.831 -1.658 1.00 45.92 21 A 1 ATOM 154 C C . VAL A 0 21 . -3.483 -6.725 -2.821 1.00 45.92 21 A 1 ATOM 155 C CB . VAL A 0 21 . -4.101 -6.624 -0.359 1.00 45.92 21 A 1 ATOM 156 O O . VAL A 0 21 . -3.884 -7.878 -2.920 1.00 45.92 21 A 1 ATOM 157 C CG1 . VAL A 0 21 . -2.772 -7.185 0.170 1.00 45.92 21 A 1 ATOM 158 C CG2 . VAL A 0 21 . -4.714 -5.750 0.740 1.00 45.92 21 A 1 ATOM 159 N N . CYS A 0 22 . -2.783 -6.099 -3.747 1.00 42.38 22 A 1 ATOM 160 C CA . CYS A 0 22 . -2.187 -6.639 -4.933 1.00 42.38 22 A 1 ATOM 161 C C . CYS A 0 22 . -1.209 -7.738 -4.520 1.00 42.38 22 A 1 ATOM 162 C CB . CYS A 0 22 . -1.485 -5.439 -5.544 1.00 42.38 22 A 1 ATOM 163 O O . CYS A 0 22 . -0.030 -7.478 -4.284 1.00 42.38 22 A 1 ATOM 164 S SG . CYS A 0 22 . -2.659 -4.418 -6.489 1.00 42.38 22 A 1 ATOM 165 N N . LYS A 0 23 . -1.723 -8.954 -4.334 1.00 49.56 23 A 1 ATOM 166 C CA . LYS A 0 23 . -0.925 -10.093 -3.874 1.00 49.56 23 A 1 ATOM 167 C C . LYS A 0 23 . 0.040 -10.581 -4.951 1.00 49.56 23 A 1 ATOM 168 C CB . LYS A 0 23 . -1.841 -11.213 -3.363 1.00 49.56 23 A 1 ATOM 169 O O . LYS A 0 23 . 1.090 -11.105 -4.597 1.00 49.56 23 A 1 ATOM 170 C CG . LYS A 0 23 . -2.162 -11.009 -1.876 1.00 49.56 23 A 1 ATOM 171 C CD . LYS A 0 23 . -3.044 -12.148 -1.362 1.00 49.56 23 A 1 ATOM 172 C CE . LYS A 0 23 . -3.211 -12.035 0.155 1.00 49.56 23 A 1 ATOM 173 N NZ . LYS A 0 23 . -4.088 -13.115 0.665 1.00 49.56 23 A 1 ATOM 174 N N . SER A 0 24 . -0.271 -10.319 -6.221 1.00 48.65 24 A 1 ATOM 175 C CA . SER A 0 24 . 0.520 -10.764 -7.364 1.00 48.65 24 A 1 ATOM 176 C C . SER A 0 24 . 0.400 -9.743 -8.500 1.00 48.65 24 A 1 ATOM 177 C CB . SER A 0 24 . 0.006 -12.151 -7.803 1.00 48.65 24 A 1 ATOM 178 O O . SER A 0 24 . -0.376 -9.942 -9.422 1.00 48.65 24 A 1 ATOM 179 O OG . SER A 0 24 . -0.009 -13.065 -6.717 1.00 48.65 24 A 1 ATOM 180 N N . ILE A 0 25 . 1.127 -8.620 -8.454 1.00 56.47 25 A 1 ATOM 181 C CA . ILE A 0 25 . 1.202 -7.708 -9.612 1.00 56.47 25 A 1 ATOM 182 C C . ILE A 0 25 . 2.305 -8.179 -10.563 1.00 56.47 25 A 1 ATOM 183 C CB . ILE A 0 25 . 1.446 -6.241 -9.200 1.00 56.47 25 A 1 ATOM 184 O O . ILE A 0 25 . 3.467 -8.242 -10.162 1.00 56.47 25 A 1 ATOM 185 C CG1 . ILE A 0 25 . 0.219 -5.602 -8.541 1.00 56.47 25 A 1 ATOM 186 C CG2 . ILE A 0 25 . 1.782 -5.362 -10.414 1.00 56.47 25 A 1 ATOM 187 C CD1 . ILE A 0 25 . 0.638 -4.396 -7.669 1.00 56.47 25 A 1 ATOM 188 N N . GLN A 0 26 . 1.985 -8.372 -11.846 1.00 53.77 26 A 1 ATOM 189 C CA . GLN A 0 26 . 2.988 -8.320 -12.914 1.00 53.77 26 A 1 ATOM 190 C C . GLN A 0 26 . 3.052 -6.909 -13.442 1.00 53.77 26 A 1 ATOM 191 C CB . GLN A 0 26 . 2.704 -9.243 -14.111 1.00 53.77 26 A 1 ATOM 192 O O . GLN A 0 26 . 2.062 -6.386 -13.951 1.00 53.77 26 A 1 ATOM 193 C CG . GLN A 0 26 . 3.931 -10.079 -14.489 1.00 53.77 26 A 1 ATOM 194 C CD . GLN A 0 26 . 3.604 -11.228 -15.436 1.00 53.77 26 A 1 ATOM 195 N NE2 . GLN A 0 26 . 4.588 -11.778 -16.110 1.00 53.77 26 A 1 ATOM 196 O OE1 . GLN A 0 26 . 2.481 -11.668 -15.589 1.00 53.77 26 A 1 ATOM 197 N N . CYS A 0 27 . 4.236 -6.319 -13.400 1.00 58.69 27 A 1 ATOM 198 C CA . CYS A 0 27 . 4.493 -5.099 -14.136 1.00 58.69 27 A 1 ATOM 199 C C . CYS A 0 27 . 5.194 -5.428 -15.457 1.00 58.69 27 A 1 ATOM 200 C CB . CYS A 0 27 . 5.233 -4.098 -13.252 1.00 58.69 27 A 1 ATOM 201 O O . CYS A 0 27 . 6.259 -6.040 -15.464 1.00 58.69 27 A 1 ATOM 202 S SG . CYS A 0 27 . 4.312 -3.528 -11.787 1.00 58.69 27 A 1 ATOM 203 N N . ASN A 0 28 . 4.600 -4.997 -16.569 1.00 57.30 28 A 1 ATOM 204 C CA . ASN A 0 28 . 5.228 -4.940 -17.883 1.00 57.30 28 A 1 ATOM 205 C C . ASN A 0 28 . 5.318 -3.465 -18.313 1.00 57.30 28 A 1 ATOM 206 C CB . ASN A 0 28 . 4.449 -5.828 -18.871 1.00 57.30 28 A 1 ATOM 207 O O . ASN A 0 28 . 4.320 -2.842 -18.691 1.00 57.30 28 A 1 ATOM 208 C CG . ASN A 0 28 . 5.193 -5.985 -20.186 1.00 57.30 28 A 1 ATOM 209 N ND2 . ASN A 0 28 . 4.551 -6.495 -21.209 1.00 57.30 28 A 1 ATOM 210 O OD1 . ASN A 0 28 . 6.357 -5.655 -20.315 1.00 57.30 28 A 1 ATOM 211 N N . GLY A 0 29 . 6.511 -2.876 -18.184 1.00 61.34 29 A 1 ATOM 212 C CA . GLY A 0 29 . 6.747 -1.451 -18.427 1.00 61.34 29 A 1 ATOM 213 C C . GLY A 0 29 . 5.905 -0.546 -17.518 1.00 61.34 29 A 1 ATOM 214 O O . GLY A 0 29 . 5.941 -0.660 -16.294 1.00 61.34 29 A 1 ATOM 215 N N . ASN A 0 30 . 5.115 0.345 -18.124 1.00 59.25 30 A 1 ATOM 216 C CA . ASN A 0 30 . 4.221 1.273 -17.417 1.00 59.25 30 A 1 ATOM 217 C C . ASN A 0 30 . 2.863 0.653 -17.056 1.00 59.25 30 A 1 ATOM 218 C CB . ASN A 0 30 . 4.050 2.570 -18.233 1.00 59.25 30 A 1 ATOM 219 O O . ASN A 0 30 . 1.937 1.380 -16.711 1.00 59.25 30 A 1 ATOM 220 C CG . ASN A 0 30 . 5.302 3.420 -18.290 1.00 59.25 30 A 1 ATOM 221 N ND2 . ASN A 0 30 . 5.248 4.538 -18.972 1.00 59.25 30 A 1 ATOM 222 O OD1 . ASN A 0 30 . 6.332 3.105 -17.724 1.00 59.25 30 A 1 ATOM 223 N N . LYS A 0 31 . 2.689 -0.664 -17.167 1.00 53.22 31 A 1 ATOM 224 C CA . LYS A 0 31 . 1.436 -1.347 -16.832 1.00 53.22 31 A 1 ATOM 225 C C . LYS A 0 31 . 1.710 -2.379 -15.758 1.00 53.22 31 A 1 ATOM 226 C CB . LYS A 0 31 . 0.825 -1.992 -18.082 1.00 53.22 31 A 1 ATOM 227 O O . LYS A 0 31 . 2.643 -3.155 -15.891 1.00 53.22 31 A 1 ATOM 228 C CG . LYS A 0 31 . 0.475 -0.953 -19.157 1.00 53.22 31 A 1 ATOM 229 C CD . LYS A 0 31 . -0.194 -1.634 -20.357 1.00 53.22 31 A 1 ATOM 230 C CE . LYS A 0 31 . -0.523 -0.603 -21.444 1.00 53.22 31 A 1 ATOM 231 N NZ . LYS A 0 31 . -1.155 -1.246 -22.625 1.00 53.22 31 A 1 ATOM 232 N N . CYS A 0 32 . 0.897 -2.384 -14.722 1.00 60.74 32 A 1 ATOM 233 C CA . CYS A 0 32 . 0.972 -3.288 -13.592 1.00 60.74 32 A 1 ATOM 234 C C . CYS A 0 32 . -0.400 -3.943 -13.433 1.00 60.74 32 A 1 ATOM 235 C CB . CYS A 0 32 . 1.404 -2.471 -12.375 1.00 60.74 32 A 1 ATOM 236 O O . CYS A 0 32 . -1.375 -3.259 -13.143 1.00 60.74 32 A 1 ATOM 237 S SG . CYS A 0 32 . 3.147 -1.933 -12.365 1.00 60.74 32 A 1 ATOM 238 N N . CYS A 0 33 . -0.487 -5.244 -13.676 1.00 59.29 33 A 1 ATOM 239 C CA . CYS A 0 33 . -1.731 -6.003 -13.659 1.00 59.29 33 A 1 ATOM 240 C C . CYS A 0 33 . -1.725 -7.019 -12.527 1.00 59.29 33 A 1 ATOM 241 C CB . CYS A 0 33 . -1.921 -6.694 -15.011 1.00 59.29 33 A 1 ATOM 242 O O . CYS A 0 33 . -0.708 -7.673 -12.306 1.00 59.29 33 A 1 ATOM 243 S SG . CYS A 0 33 . -1.991 -5.614 -16.469 1.00 59.29 33 A 1 ATOM 244 N N . ASP A 0 34 . -2.857 -7.166 -11.845 1.00 59.66 34 A 1 ATOM 245 C CA . ASP A 0 34 . -3.059 -8.259 -10.897 1.00 59.66 34 A 1 ATOM 246 C C . ASP A 0 34 . -3.196 -9.583 -11.667 1.00 59.66 34 A 1 ATOM 247 C CB . ASP A 0 34 . -4.273 -7.960 -10.004 1.00 59.66 34 A 1 ATOM 248 O O . ASP A 0 34 . -4.065 -9.724 -12.530 1.00 59.66 34 A 1 ATOM 249 C CG . ASP A 0 34 . -4.251 -8.760 -8.695 1.00 59.66 34 A 1 ATOM 250 O OD1 . ASP A 0 34 . -3.544 -9.793 -8.636 1.00 59.66 34 A 1 ATOM 251 O OD2 . ASP A 0 34 . -4.902 -8.294 -7.734 1.00 59.66 34 A 1 ATOM 252 N N . ILE A 0 35 . -2.293 -10.525 -11.408 1.00 56.77 35 A 1 ATOM 253 C CA . ILE A 0 35 . -2.198 -11.820 -12.098 1.00 56.77 35 A 1 ATOM 254 C C . ILE A 0 35 . -3.091 -12.863 -11.413 1.00 56.77 35 A 1 ATOM 255 C CB . ILE A 0 35 . -0.736 -12.334 -12.160 1.00 56.77 35 A 1 ATOM 256 O O . ILE A 0 35 . -3.347 -13.924 -11.979 1.00 56.77 35 A 1 ATOM 257 C CG1 . ILE A 0 35 . 0.302 -11.231 -12.413 1.00 56.77 35 A 1 ATOM 258 C CG2 . ILE A 0 35 . -0.562 -13.383 -13.282 1.00 56.77 35 A 1 ATOM 259 C CD1 . ILE A 0 35 . 1.734 -11.743 -12.164 1.00 56.77 35 A 1 ATOM 260 N N . ASP A 0 36 . -3.602 -12.591 -10.209 1.00 52.83 36 A 1 ATOM 261 C CA . ASP A 0 36 . -4.261 -13.605 -9.377 1.00 52.83 36 A 1 ATOM 262 C C . ASP A 0 36 . -5.766 -13.767 -9.680 1.00 52.83 36 A 1 ATOM 263 C CB . ASP A 0 36 . -3.902 -13.396 -7.896 1.00 52.83 36 A 1 ATOM 264 O O . ASP A 0 36 . -6.639 -13.734 -8.810 1.00 52.83 36 A 1 ATOM 265 C CG . ASP A 0 36 . -3.364 -14.684 -7.265 1.00 52.83 36 A 1 ATOM 266 O OD1 . ASP A 0 36 . -3.949 -15.768 -7.515 1.00 52.83 36 A 1 ATOM 267 O OD2 . ASP A 0 36 . -2.359 -14.564 -6.524 1.00 52.83 36 A 1 ATOM 268 N N . VAL A 0 37 . -6.091 -13.974 -10.960 1.00 51.58 37 A 1 ATOM 269 C CA . VAL A 0 37 . -7.459 -14.245 -11.448 1.00 51.58 37 A 1 ATOM 270 C C . VAL A 0 37 . -7.936 -15.679 -11.184 1.00 51.58 37 A 1 ATOM 271 C CB . VAL A 0 37 . -7.665 -13.825 -12.925 1.00 51.58 37 A 1 ATOM 272 O O . VAL A 0 37 . -9.071 -16.022 -11.501 1.00 51.58 37 A 1 ATOM 273 C CG1 . VAL A 0 37 . -8.265 -12.416 -12.995 1.00 51.58 37 A 1 ATOM 274 C CG2 . VAL A 0 37 . -6.384 -13.852 -13.772 1.00 51.58 37 A 1 ATOM 275 N N . THR A 0 38 . -7.144 -16.526 -10.522 1.00 50.10 38 A 1 ATOM 276 C CA . THR A 0 38 . -7.525 -17.922 -10.240 1.00 50.10 38 A 1 ATOM 277 C C . THR A 0 38 . -8.592 -18.099 -9.151 1.00 50.10 38 A 1 ATOM 278 C CB . THR A 0 38 . -6.297 -18.815 -9.964 1.00 50.10 38 A 1 ATOM 279 O O . THR A 0 38 . -9.059 -19.218 -8.942 1.00 50.10 38 A 1 ATOM 280 C CG2 . THR A 0 38 . -6.067 -19.752 -11.150 1.00 50.10 38 A 1 ATOM 281 O OG1 . THR A 0 38 . -5.095 -18.082 -9.810 1.00 50.10 38 A 1 ATOM 282 N N . LYS A 0 39 . -9.011 -17.032 -8.452 1.00 50.32 39 A 1 ATOM 283 C CA . LYS A 0 39 . -10.054 -17.106 -7.403 1.00 50.32 39 A 1 ATOM 284 C C . LYS A 0 39 . -11.113 -16.005 -7.423 1.00 50.32 39 A 1 ATOM 285 C CB . LYS A 0 39 . -9.399 -17.220 -6.017 1.00 50.32 39 A 1 ATOM 286 O O . LYS A 0 39 . -12.016 -16.037 -6.591 1.00 50.32 39 A 1 ATOM 287 C CG . LYS A 0 39 . -8.854 -18.635 -5.788 1.00 50.32 39 A 1 ATOM 288 C CD . LYS A 0 39 . -8.472 -18.843 -4.322 1.00 50.32 39 A 1 ATOM 289 C CE . LYS A 0 39 . -8.009 -20.292 -4.150 1.00 50.32 39 A 1 ATOM 290 N NZ . LYS A 0 39 . -7.649 -20.585 -2.742 1.00 50.32 39 A 1 ATOM 291 N N . SER A 0 40 . -11.057 -15.076 -8.370 1.00 47.29 40 A 1 ATOM 292 C CA . SER A 0 40 . -12.072 -14.032 -8.498 1.00 47.29 40 A 1 ATOM 293 C C . SER A 0 40 . -12.848 -14.235 -9.786 1.00 47.29 40 A 1 ATOM 294 C CB . SER A 0 40 . -11.441 -12.638 -8.417 1.00 47.29 40 A 1 ATOM 295 O O . SER A 0 40 . -12.286 -14.157 -10.870 1.00 47.29 40 A 1 ATOM 296 O OG . SER A 0 40 . -11.676 -12.095 -7.133 1.00 47.29 40 A 1 ATOM 297 N N . ASN A 0 41 . -14.163 -14.406 -9.659 1.00 48.48 41 A 1 ATOM 298 C CA . ASN A 0 41 . -15.170 -14.335 -10.728 1.00 48.48 41 A 1 ATOM 299 C C . ASN A 0 41 . -15.238 -12.936 -11.399 1.00 48.48 41 A 1 ATOM 300 C CB . ASN A 0 41 . -16.524 -14.783 -10.116 1.00 48.48 41 A 1 ATOM 301 O O . ASN A 0 41 . -16.271 -12.531 -11.924 1.00 48.48 41 A 1 ATOM 302 C CG . ASN A 0 41 . -17.048 -16.096 -10.667 1.00 48.48 41 A 1 ATOM 303 N ND2 . ASN A 0 41 . -17.773 -16.847 -9.871 1.00 48.48 41 A 1 ATOM 304 O OD1 . ASN A 0 41 . -16.836 -16.470 -11.802 1.00 48.48 41 A 1 ATOM 305 N N . LEU A 0 42 . -14.147 -12.167 -11.353 1.00 48.96 42 A 1 ATOM 306 C CA . LEU A 0 42 . -13.956 -10.948 -12.114 1.00 48.96 42 A 1 ATOM 307 C C . LEU A 0 42 . -13.261 -11.347 -13.412 1.00 48.96 42 A 1 ATOM 308 C CB . LEU A 0 42 . -13.144 -9.910 -11.312 1.00 48.96 42 A 1 ATOM 309 O O . LEU A 0 42 . -12.048 -11.528 -13.461 1.00 48.96 42 A 1 ATOM 310 C CG . LEU A 0 42 . -14.005 -8.939 -10.484 1.00 48.96 42 A 1 ATOM 311 C CD1 . LEU A 0 42 . -14.670 -9.607 -9.279 1.00 48.96 42 A 1 ATOM 312 C CD2 . LEU A 0 42 . -13.130 -7.790 -9.982 1.00 48.96 42 A 1 ATOM 313 N N . THR A 0 43 . -14.040 -11.423 -14.484 1.00 44.82 43 A 1 ATOM 314 C CA . THR A 0 43 . -13.619 -11.583 -15.887 1.00 44.82 43 A 1 ATOM 315 C C . THR A 0 43 . -12.718 -10.454 -16.412 1.00 44.82 43 A 1 ATOM 316 C CB . THR A 0 43 . -14.879 -11.691 -16.769 1.00 44.82 43 A 1 ATOM 317 O O . THR A 0 43 . -12.491 -10.337 -17.612 1.00 44.82 43 A 1 ATOM 318 C CG2 . THR A 0 43 . -15.447 -13.107 -16.755 1.00 44.82 43 A 1 ATOM 319 O OG1 . THR A 0 43 . -15.895 -10.833 -16.281 1.00 44.82 43 A 1 ATOM 320 N N . THR A 0 44 . -12.200 -9.598 -15.537 1.00 51.24 44 A 1 ATOM 321 C CA . THR A 0 44 . -11.445 -8.400 -15.877 1.00 51.24 44 A 1 ATOM 322 C C . THR A 0 44 . -10.189 -8.348 -15.018 1.00 51.24 44 A 1 ATOM 323 C CB . THR A 0 44 . -12.308 -7.141 -15.684 1.00 51.24 44 A 1 ATOM 324 O O . THR A 0 44 . -10.247 -7.986 -13.843 1.00 51.24 44 A 1 ATOM 325 C CG2 . THR A 0 44 . -13.504 -7.109 -16.638 1.00 51.24 44 A 1 ATOM 326 O OG1 . THR A 0 44 . -12.812 -7.076 -14.368 1.00 51.24 44 A 1 ATOM 327 N N . THR A 0 45 . -9.048 -8.703 -15.606 1.00 52.04 45 A 1 ATOM 328 C CA . THR A 0 45 . -7.721 -8.444 -15.040 1.00 52.04 45 A 1 ATOM 329 C C . THR A 0 45 . -7.620 -6.960 -14.680 1.00 52.04 45 A 1 ATOM 330 C CB . THR A 0 45 . -6.651 -8.797 -16.087 1.00 52.04 45 A 1 ATOM 331 O O . THR A 0 45 . -7.700 -6.101 -15.561 1.00 52.04 45 A 1 ATOM 332 C CG2 . THR A 0 45 . -5.230 -8.748 -15.542 1.00 52.04 45 A 1 ATOM 333 O OG1 . THR A 0 45 . -6.863 -10.106 -16.564 1.00 52.04 45 A 1 ATOM 334 N N . LEU A 0 46 . -7.477 -6.634 -13.391 1.00 52.41 46 A 1 ATOM 335 C CA . LEU A 0 46 . -7.304 -5.247 -12.967 1.00 52.41 46 A 1 ATOM 336 C C . LEU A 0 46 . -5.878 -4.811 -13.323 1.00 52.41 46 A 1 ATOM 337 C CB . LEU A 0 46 . -7.644 -5.055 -11.470 1.00 52.41 46 A 1 ATOM 338 O O . LEU A 0 46 . -4.910 -5.155 -12.647 1.00 52.41 46 A 1 ATOM 339 C CG . LEU A 0 46 . -8.715 -3.967 -11.248 1.00 52.41 46 A 1 ATOM 340 C CD1 . LEU A 0 46 . -10.121 -4.567 -11.325 1.00 52.41 46 A 1 ATOM 341 C CD2 . LEU A 0 46 . -8.546 -3.291 -9.889 1.00 52.41 46 A 1 ATOM 342 N N . CYS A 0 47 . -5.751 -4.080 -14.425 1.00 48.98 47 A 1 ATOM 343 C CA . CYS A 0 47 . -4.499 -3.483 -14.861 1.00 48.98 47 A 1 ATOM 344 C C . CYS A 0 47 . -4.452 -2.008 -14.468 1.00 48.98 47 A 1 ATOM 345 C CB . CYS A 0 47 . -4.330 -3.689 -16.365 1.00 48.98 47 A 1 ATOM 346 O O . CYS A 0 47 . -5.170 -1.176 -15.020 1.00 48.98 47 A 1 ATOM 347 S SG . CYS A 0 47 . -3.974 -5.387 -16.877 1.00 48.98 47 A 1 ATOM 348 N N . CYS A 0 48 . -3.551 -1.668 -13.557 1.00 54.65 48 A 1 ATOM 349 C CA . CYS A 0 48 . -3.164 -0.300 -13.271 1.00 54.65 48 A 1 ATOM 350 C C . CYS A 0 48 . -2.075 0.111 -14.261 1.00 54.65 48 A 1 ATOM 351 C CB . CYS A 0 48 . -2.684 -0.212 -11.818 1.00 54.65 48 A 1 ATOM 352 O O . CYS A 0 48 . -0.954 -0.396 -14.230 1.00 54.65 48 A 1 ATOM 353 S SG . CYS A 0 48 . -4.097 -0.494 -10.713 1.00 54.65 48 A 1 ATOM 354 N N . VAL A 0 49 . -2.363 1.073 -15.133 1.00 50.94 49 A 1 ATOM 355 C CA . VAL A 0 49 . -1.272 1.822 -15.759 1.00 50.94 49 A 1 ATOM 356 C C . VAL A 0 49 . -0.565 2.540 -14.615 1.00 50.94 49 A 1 ATOM 357 C CB . VAL A 0 49 . -1.773 2.788 -16.848 1.00 50.94 49 A 1 ATOM 358 O O . VAL A 0 49 . -1.208 3.256 -13.846 1.00 50.94 49 A 1 ATOM 359 C CG1 . VAL A 0 49 . -0.610 3.492 -17.559 1.00 50.94 49 A 1 ATOM 360 C CG2 . VAL A 0 49 . -2.572 2.030 -17.919 1.00 50.94 49 A 1 ATOM 361 N N . LYS A 0 50 . 0.745 2.336 -14.474 1.00 47.91 50 A 1 ATOM 362 C CA . LYS A 0 50 . 1.621 3.235 -13.735 1.00 47.91 50 A 1 ATOM 363 C C . LYS A 0 50 . 1.484 4.578 -14.443 1.00 47.91 50 A 1 ATOM 364 C CB . LYS A 0 50 . 3.059 2.663 -13.720 1.00 47.91 50 A 1 ATOM 365 O O . LYS A 0 50 . 2.242 4.893 -15.358 1.00 47.91 50 A 1 ATOM 366 C CG . LYS A 0 50 . 3.980 3.296 -12.661 1.00 47.91 50 A 1 ATOM 367 C CD . LYS A 0 50 . 5.372 2.638 -12.703 1.00 47.91 50 A 1 ATOM 368 C CE . LYS A 0 50 . 6.272 3.123 -11.556 1.00 47.91 50 A 1 ATOM 369 N NZ . LYS A 0 50 . 7.605 2.463 -11.595 1.00 47.91 50 A 1 ATOM 370 N N . MET A 0 51 . 0.467 5.352 -14.064 1.00 40.59 51 A 1 ATOM 371 C CA . MET A 0 51 . 0.537 6.788 -14.193 1.00 40.59 51 A 1 ATOM 372 C C . MET A 0 51 . 1.772 7.131 -13.382 1.00 40.59 51 A 1 ATOM 373 C CB . MET A 0 51 . -0.720 7.504 -13.665 1.00 40.59 51 A 1 ATOM 374 O O . MET A 0 51 . 1.741 7.208 -12.154 1.00 40.59 51 A 1 ATOM 375 C CG . MET A 0 51 . -1.726 7.840 -14.770 1.00 40.59 51 A 1 ATOM 376 S SD . MET A 0 51 . -3.033 8.970 -14.210 1.00 40.59 51 A 1 ATOM 377 C CE . MET A 0 51 . -3.694 9.522 -15.806 1.00 40.59 51 A 1 ATOM 378 N N . VAL A 0 52 . 2.890 7.279 -14.085 1.00 39.15 52 A 1 ATOM 379 C CA . VAL A 0 52 . 3.901 8.226 -13.678 1.00 39.15 52 A 1 ATOM 380 C C . VAL A 0 52 . 3.144 9.546 -13.695 1.00 39.15 52 A 1 ATOM 381 C CB . VAL A 0 52 . 5.123 8.214 -14.622 1.00 39.15 52 A 1 ATOM 382 O O . VAL A 0 52 . 3.127 10.264 -14.686 1.00 39.15 52 A 1 ATOM 383 C CG1 . VAL A 0 52 . 6.260 9.022 -13.994 1.00 39.15 52 A 1 ATOM 384 C CG2 . VAL A 0 52 . 5.651 6.793 -14.872 1.00 39.15 52 A 1 ATOM 385 N N . VAL A 0 53 . 2.407 9.824 -12.618 1.00 40.43 53 A 1 ATOM 386 C CA . VAL A 0 53 . 2.171 11.200 -12.248 1.00 40.43 53 A 1 ATOM 387 C C . VAL A 0 53 . 3.574 11.620 -11.853 1.00 40.43 53 A 1 ATOM 388 C CB . VAL A 0 53 . 1.130 11.376 -11.119 1.00 40.43 53 A 1 ATOM 389 O O . VAL A 0 53 . 3.989 11.429 -10.709 1.00 40.43 53 A 1 ATOM 390 C CG1 . VAL A 0 53 . 0.686 12.843 -11.074 1.00 40.43 53 A 1 ATOM 391 C CG2 . VAL A 0 53 . -0.130 10.524 -11.320 1.00 40.43 53 A 1 ATOM 392 N N . THR A 0 54 . 4.364 12.071 -12.831 1.00 37.72 54 A 1 ATOM 393 C CA . THR A 0 54 . 5.392 13.037 -12.507 1.00 37.72 54 A 1 ATOM 394 C C . THR A 0 54 . 4.582 14.149 -11.878 1.00 37.72 54 A 1 ATOM 395 C CB . THR A 0 54 . 6.198 13.533 -13.718 1.00 37.72 54 A 1 ATOM 396 O O . THR A 0 54 . 3.826 14.865 -12.535 1.00 37.72 54 A 1 ATOM 397 C CG2 . THR A 0 54 . 7.206 12.511 -14.231 1.00 37.72 54 A 1 ATOM 398 O OG1 . THR A 0 54 . 5.375 13.864 -14.806 1.00 37.72 54 A 1 ATOM 399 N N . VAL A 0 55 . 4.575 14.187 -10.547 1.00 44.86 55 A 1 ATOM 400 C CA . VAL A 0 55 . 4.000 15.322 -9.853 1.00 44.86 55 A 1 ATOM 401 C C . VAL A 0 55 . 5.049 16.419 -9.988 1.00 44.86 55 A 1 ATOM 402 C CB . VAL A 0 55 . 3.521 15.019 -8.418 1.00 44.86 55 A 1 ATOM 403 O O . VAL A 0 55 . 5.701 16.798 -9.025 1.00 44.86 55 A 1 ATOM 404 C CG1 . VAL A 0 55 . 2.340 15.962 -8.152 1.00 44.86 55 A 1 ATOM 405 C CG2 . VAL A 0 55 . 3.001 13.597 -8.171 1.00 44.86 55 A 1 ATOM 406 N N . ASP A 0 56 . 5.241 16.884 -11.228 1.00 47.76 56 A 1 ATOM 407 C CA . ASP A 0 56 . 6.112 18.005 -11.589 1.00 47.76 56 A 1 ATOM 408 C C . ASP A 0 56 . 5.631 19.295 -10.919 1.00 47.76 56 A 1 ATOM 409 C CB . ASP A 0 56 . 6.144 18.169 -13.120 1.00 47.76 56 A 1 ATOM 410 O O . ASP A 0 56 . 6.338 20.295 -10.898 1.00 47.76 56 A 1 ATOM 411 C CG . ASP A 0 56 . 7.047 17.136 -13.798 1.00 47.76 56 A 1 ATOM 412 O OD1 . ASP A 0 56 . 8.211 17.013 -13.360 1.00 47.76 56 A 1 ATOM 413 O OD2 . ASP A 0 56 . 6.547 16.433 -14.708 1.00 47.76 56 A 1 ATOM 414 N N . ASN A 0 57 . 4.439 19.264 -10.315 1.00 53.54 57 A 1 ATOM 415 C CA . ASN A 0 57 . 3.959 20.312 -9.449 1.00 53.54 57 A 1 ATOM 416 C C . ASN A 0 57 . 3.966 19.876 -7.966 1.00 53.54 57 A 1 ATOM 417 C CB . ASN A 0 57 . 2.602 20.805 -9.963 1.00 53.54 57 A 1 ATOM 418 O O . ASN A 0 57 . 2.983 19.282 -7.503 1.00 53.54 57 A 1 ATOM 419 C CG . ASN A 0 57 . 2.269 22.121 -9.294 1.00 53.54 57 A 1 ATOM 420 N ND2 . ASN A 0 57 . 1.278 22.840 -9.755 1.00 53.54 57 A 1 ATOM 421 O OD1 . ASN A 0 57 . 2.898 22.514 -8.331 1.00 53.54 57 A 1 ATOM 422 N N . PRO A 0 58 . 5.017 20.194 -7.184 1.00 59.84 58 A 1 ATOM 423 C CA . PRO A 0 58 . 5.051 19.917 -5.746 1.00 59.84 58 A 1 ATOM 424 C C . PRO A 0 58 . 3.849 20.509 -4.991 1.00 59.84 58 A 1 ATOM 425 C CB . PRO A 0 58 . 6.383 20.494 -5.250 1.00 59.84 58 A 1 ATOM 426 O O . PRO A 0 58 . 3.414 19.924 -3.995 1.00 59.84 58 A 1 ATOM 427 C CG . PRO A 0 58 . 6.760 21.534 -6.303 1.00 59.84 58 A 1 ATOM 428 C CD . PRO A 0 58 . 6.208 20.930 -7.587 1.00 59.84 58 A 1 ATOM 429 N N . GLU A 0 59 . 3.236 21.592 -5.485 1.00 68.47 59 A 1 ATOM 430 C CA . GLU A 0 59 . 2.009 22.145 -4.900 1.00 68.47 59 A 1 ATOM 431 C C . GLU A 0 59 . 0.817 21.195 -5.050 1.00 68.47 59 A 1 ATOM 432 C CB . GLU A 0 59 . 1.621 23.480 -5.547 1.00 68.47 59 A 1 ATOM 433 O O . GLU A 0 59 . -0.003 21.075 -4.137 1.00 68.47 59 A 1 ATOM 434 C CG . GLU A 0 59 . 2.693 24.568 -5.459 1.00 68.47 59 A 1 ATOM 435 C CD . GLU A 0 59 . 2.114 25.859 -6.043 1.00 68.47 59 A 1 ATOM 436 O OE1 . GLU A 0 59 . 1.593 26.664 -5.240 1.00 68.47 59 A 1 ATOM 437 O OE2 . GLU A 0 59 . 2.097 25.970 -7.290 1.00 68.47 59 A 1 ATOM 438 N N . LEU A 0 60 . 0.718 20.471 -6.170 1.00 65.96 60 A 1 ATOM 439 C CA . LEU A 0 60 . -0.349 19.496 -6.386 1.00 65.96 60 A 1 ATOM 440 C C . LEU A 0 60 . -0.151 18.260 -5.497 1.00 65.96 60 A 1 ATOM 441 C CB . LEU A 0 60 . -0.434 19.141 -7.881 1.00 65.96 60 A 1 ATOM 442 O O . LEU A 0 60 . -1.128 17.750 -4.941 1.00 65.96 60 A 1 ATOM 443 C CG . LEU A 0 60 . -1.742 18.423 -8.265 1.00 65.96 60 A 1 ATOM 444 C CD1 . LEU A 0 60 . -2.952 19.364 -8.213 1.00 65.96 60 A 1 ATOM 445 C CD2 . LEU A 0 60 . -1.639 17.865 -9.683 1.00 65.96 60 A 1 ATOM 446 N N . THR A 0 61 . 1.099 17.820 -5.293 1.00 64.03 61 A 1 ATOM 447 C CA . THR A 0 61 . 1.436 16.782 -4.299 1.00 64.03 61 A 1 ATOM 448 C C . THR A 0 61 . 1.002 17.214 -2.909 1.00 64.03 61 A 1 ATOM 449 C CB . THR A 0 61 . 2.944 16.487 -4.219 1.00 64.03 61 A 1 ATOM 450 O O . THR A 0 61 . 0.294 16.468 -2.229 1.00 64.03 61 A 1 ATOM 451 C CG2 . THR A 0 61 . 3.249 15.288 -3.321 1.00 64.03 61 A 1 ATOM 452 O OG1 . THR A 0 61 . 3.437 16.140 -5.471 1.00 64.03 61 A 1 ATOM 453 N N . LEU A 0 62 . 1.383 18.428 -2.501 1.00 68.83 62 A 1 ATOM 454 C CA . LEU A 0 62 . 1.061 18.968 -1.187 1.00 68.83 62 A 1 ATOM 455 C C . LEU A 0 62 . -0.454 19.101 -1.005 1.00 68.83 62 A 1 ATOM 456 C CB . LEU A 0 62 . 1.786 20.314 -1.017 1.00 68.83 62 A 1 ATOM 457 O O . LEU A 0 62 . -0.993 18.660 0.007 1.00 68.83 62 A 1 ATOM 458 C CG . LEU A 0 62 . 1.568 20.964 0.361 1.00 68.83 62 A 1 ATOM 459 C CD1 . LEU A 0 62 . 2.126 20.106 1.500 1.00 68.83 62 A 1 ATOM 460 C CD2 . LEU A 0 62 . 2.251 22.328 0.394 1.00 68.83 62 A 1 ATOM 461 N N . LYS A 0 63 . -1.169 19.618 -2.008 1.00 71.25 63 A 1 ATOM 462 C CA . LYS A 0 63 . -2.633 19.737 -1.980 1.00 71.25 63 A 1 ATOM 463 C C . LYS A 0 63 . -3.315 18.374 -1.867 1.00 71.25 63 A 1 ATOM 464 C CB . LYS A 0 63 . -3.078 20.508 -3.228 1.00 71.25 63 A 1 ATOM 465 O O . LYS A 0 63 . -4.259 18.225 -1.092 1.00 71.25 63 A 1 ATOM 466 C CG . LYS A 0 63 . -4.566 20.882 -3.188 1.00 71.25 63 A 1 ATOM 467 C CD . LYS A 0 63 . -4.906 21.760 -4.398 1.00 71.25 63 A 1 ATOM 468 C CE . LYS A 0 63 . -6.371 22.210 -4.360 1.00 71.25 63 A 1 ATOM 469 N NZ . LYS A 0 63 . -6.663 23.148 -5.474 1.00 71.25 63 A 1 ATOM 470 N N . ASN A 0 64 . -2.829 17.367 -2.593 1.00 72.87 64 A 1 ATOM 471 C CA . ASN A 0 64 . -3.343 16.001 -2.498 1.00 72.87 64 A 1 ATOM 472 C C . ASN A 0 64 . -3.045 15.370 -1.133 1.00 72.87 64 A 1 ATOM 473 C CB . ASN A 0 64 . -2.762 15.161 -3.647 1.00 72.87 64 A 1 ATOM 474 O O . ASN A 0 64 . -3.912 14.694 -0.578 1.00 72.87 64 A 1 ATOM 475 C CG . ASN A 0 64 . -3.407 15.467 -4.986 1.00 72.87 64 A 1 ATOM 476 N ND2 . ASN A 0 64 . -2.738 15.158 -6.071 1.00 72.87 64 A 1 ATOM 477 O OD1 . ASN A 0 64 . -4.535 15.928 -5.075 1.00 72.87 64 A 1 ATOM 478 N N . TYR A 0 65 . -1.857 15.613 -0.574 1.00 70.64 65 A 1 ATOM 479 C CA . TYR A 0 65 . -1.487 15.170 0.768 1.00 70.64 65 A 1 ATOM 480 C C . TYR A 0 65 . -2.382 15.810 1.835 1.00 70.64 65 A 1 ATOM 481 C CB . TYR A 0 65 . -0.006 15.474 1.021 1.00 70.64 65 A 1 ATOM 482 O O . TYR A 0 65 . -2.982 15.092 2.632 1.00 70.64 65 A 1 ATOM 483 C CG . TYR A 0 65 . 0.449 15.034 2.396 1.00 70.64 65 A 1 ATOM 484 C CD1 . TYR A 0 65 . 0.443 15.948 3.468 1.00 70.64 65 A 1 ATOM 485 C CD2 . TYR A 0 65 . 0.838 13.699 2.608 1.00 70.64 65 A 1 ATOM 486 C CE1 . TYR A 0 65 . 0.825 15.527 4.756 1.00 70.64 65 A 1 ATOM 487 C CE2 . TYR A 0 65 . 1.221 13.275 3.894 1.00 70.64 65 A 1 ATOM 488 O OH . TYR A 0 65 . 1.591 13.766 6.204 1.00 70.64 65 A 1 ATOM 489 C CZ . TYR A 0 65 . 1.216 14.187 4.969 1.00 70.64 65 A 1 ATOM 490 N N . LEU A 0 66 . -2.565 17.133 1.793 1.00 73.86 66 A 1 ATOM 491 C CA . LEU A 0 66 . -3.458 17.861 2.698 1.00 73.86 66 A 1 ATOM 492 C C . LEU A 0 66 . -4.901 17.360 2.586 1.00 73.86 66 A 1 ATOM 493 C CB . LEU A 0 66 . -3.390 19.367 2.389 1.00 73.86 66 A 1 ATOM 494 O O . LEU A 0 66 . -5.553 17.123 3.599 1.00 73.86 66 A 1 ATOM 495 C CG . LEU A 0 66 . -2.079 20.055 2.815 1.00 73.86 66 A 1 ATOM 496 C CD1 . LEU A 0 66 . -2.072 21.490 2.289 1.00 73.86 66 A 1 ATOM 497 C CD2 . LEU A 0 66 . -1.921 20.096 4.336 1.00 73.86 66 A 1 ATOM 498 N N . ARG A 0 67 . -5.392 17.123 1.364 1.00 76.26 67 A 1 ATOM 499 C CA . ARG A 0 67 . -6.739 16.578 1.145 1.00 76.26 67 A 1 ATOM 500 C C . ARG A 0 67 . -6.883 15.168 1.722 1.00 76.26 67 A 1 ATOM 501 C CB . ARG A 0 67 . -7.064 16.627 -0.353 1.00 76.26 67 A 1 ATOM 502 O O . ARG A 0 67 . -7.915 14.865 2.315 1.00 76.26 67 A 1 ATOM 503 C CG . ARG A 0 67 . -8.561 16.418 -0.608 1.00 76.26 67 A 1 ATOM 504 C CD . ARG A 0 67 . -8.846 16.422 -2.113 1.00 76.26 67 A 1 ATOM 505 N NE . ARG A 0 67 . -10.290 16.296 -2.393 1.00 76.26 67 A 1 ATOM 506 N NH1 . ARG A 0 67 . -10.160 16.479 -4.679 1.00 76.26 67 A 1 ATOM 507 N NH2 . ARG A 0 67 . -12.150 16.219 -3.709 1.00 76.26 67 A 1 ATOM 508 C CZ . ARG A 0 67 . -10.857 16.332 -3.586 1.00 76.26 67 A 1 ATOM 509 N N . LYS A 0 68 . -5.864 14.313 1.576 1.00 76.20 68 A 1 ATOM 510 C CA . LYS A 0 68 . -5.840 12.979 2.198 1.00 76.20 68 A 1 ATOM 511 C C . LYS A 0 68 . -5.832 13.075 3.722 1.00 76.20 68 A 1 ATOM 512 C CB . LYS A 0 68 . -4.634 12.163 1.710 1.00 76.20 68 A 1 ATOM 513 O O . LYS A 0 68 . -6.634 12.396 4.352 1.00 76.20 68 A 1 ATOM 514 C CG . LYS A 0 68 . -4.849 11.568 0.312 1.00 76.20 68 A 1 ATOM 515 C CD . LYS A 0 68 . -3.615 10.754 -0.099 1.00 76.20 68 A 1 ATOM 516 C CE . LYS A 0 68 . -3.818 10.124 -1.483 1.00 76.20 68 A 1 ATOM 517 N NZ . LYS A 0 68 . -2.674 9.253 -1.859 1.00 76.20 68 A 1 ATOM 518 N N . ALA A 0 69 . -4.998 13.939 4.297 1.00 75.92 69 A 1 ATOM 519 C CA . ALA A 0 69 . -4.949 14.167 5.740 1.00 75.92 69 A 1 ATOM 520 C C . ALA A 0 69 . -6.315 14.623 6.283 1.00 75.92 69 A 1 ATOM 521 C CB . ALA A 0 69 . -3.833 15.174 6.040 1.00 75.92 69 A 1 ATOM 522 O O . ALA A 0 69 . -6.839 14.010 7.206 1.00 75.92 69 A 1 ATOM 523 N N . GLN A 0 70 . -6.967 15.584 5.619 1.00 80.98 70 A 1 ATOM 524 C CA . GLN A 0 70 . -8.321 16.024 5.975 1.00 80.98 70 A 1 ATOM 525 C C . GLN A 0 70 . -9.359 14.895 5.910 1.00 80.98 70 A 1 ATOM 526 C CB . GLN A 0 70 . -8.764 17.136 5.016 1.00 80.98 70 A 1 ATOM 527 O O . GLN A 0 70 . -10.257 14.835 6.750 1.00 80.98 70 A 1 ATOM 528 C CG . GLN A 0 70 . -8.082 18.480 5.293 1.00 80.98 70 A 1 ATOM 529 C CD . GLN A 0 70 . -8.487 19.547 4.281 1.00 80.98 70 A 1 ATOM 530 N NE2 . GLN A 0 70 . -8.309 20.806 4.612 1.00 80.98 70 A 1 ATOM 531 O OE1 . GLN A 0 70 . -8.981 19.285 3.191 1.00 80.98 70 A 1 ATOM 532 N N . MET A 0 71 . -9.280 14.007 4.912 1.00 77.40 71 A 1 ATOM 533 C CA . MET A 0 71 . -10.180 12.850 4.846 1.00 77.40 71 A 1 ATOM 534 C C . MET A 0 71 . -9.915 11.859 5.982 1.00 77.40 71 A 1 ATOM 535 C CB . MET A 0 71 . -10.077 12.126 3.497 1.00 77.40 71 A 1 ATOM 536 O O . MET A 0 71 . -10.871 11.321 6.537 1.00 77.40 71 A 1 ATOM 537 C CG . MET A 0 71 . -10.681 12.919 2.337 1.00 77.40 71 A 1 ATOM 538 S SD . MET A 0 71 . -10.862 11.915 0.837 1.00 77.40 71 A 1 ATOM 539 C CE . MET A 0 71 . -10.743 13.180 -0.444 1.00 77.40 71 A 1 ATOM 540 N N . ILE A 0 72 . -8.648 11.643 6.348 1.00 79.50 72 A 1 ATOM 541 C CA . ILE A 0 72 . -8.262 10.787 7.477 1.00 79.50 72 A 1 ATOM 542 C C . ILE A 0 72 . -8.780 11.372 8.794 1.00 79.50 72 A 1 ATOM 543 C CB . ILE A 0 72 . -6.731 10.563 7.498 1.00 79.50 72 A 1 ATOM 544 O O . ILE A 0 72 . -9.363 10.629 9.579 1.00 79.50 72 A 1 ATOM 545 C CG1 . ILE A 0 72 . -6.306 9.694 6.290 1.00 79.50 72 A 1 ATOM 546 C CG2 . ILE A 0 72 . -6.282 9.889 8.809 1.00 79.50 72 A 1 ATOM 547 C CD1 . ILE A 0 72 . -4.793 9.689 6.034 1.00 79.50 72 A 1 ATOM 548 N N . ASP A 0 73 . -8.648 12.681 9.017 1.00 78.37 73 A 1 ATOM 549 C CA . ASP A 0 73 . -9.163 13.335 10.226 1.00 78.37 73 A 1 ATOM 550 C C . ASP A 0 73 . -10.688 13.240 10.313 1.00 78.37 73 A 1 ATOM 551 C CB . ASP A 0 73 . -8.714 14.802 10.280 1.00 78.37 73 A 1 ATOM 552 O O . ASP A 0 73 . -11.223 12.823 11.340 1.00 78.37 73 A 1 ATOM 553 C CG . ASP A 0 73 . -7.253 14.961 10.710 1.00 78.37 73 A 1 ATOM 554 O OD1 . ASP A 0 73 . -6.778 14.113 11.504 1.00 78.37 73 A 1 ATOM 555 O OD2 . ASP A 0 73 . -6.632 15.938 10.238 1.00 78.37 73 A 1 ATOM 556 N N . LYS A 0 74 . -11.402 13.505 9.212 1.00 78.67 74 A 1 ATOM 557 C CA . LYS A 0 74 . -12.862 13.317 9.163 1.00 78.67 74 A 1 ATOM 558 C C . LYS A 0 74 . -13.270 11.872 9.434 1.00 78.67 74 A 1 ATOM 559 C CB . LYS A 0 74 . -13.413 13.754 7.803 1.00 78.67 74 A 1 ATOM 560 O O . LYS A 0 74 . -14.258 11.632 10.125 1.00 78.67 74 A 1 ATOM 561 C CG . LYS A 0 74 . -13.470 15.278 7.694 1.00 78.67 74 A 1 ATOM 562 C CD . LYS A 0 74 . -14.139 15.681 6.378 1.00 78.67 74 A 1 ATOM 563 C CE . LYS A 0 74 . -14.214 17.208 6.321 1.00 78.67 74 A 1 ATOM 564 N NZ . LYS A 0 74 . -15.001 17.673 5.154 1.00 78.67 74 A 1 ATOM 565 N N . LEU A 0 75 . -12.522 10.908 8.897 1.00 79.13 75 A 1 ATOM 566 C CA . LEU A 0 75 . -12.765 9.493 9.155 1.00 79.13 75 A 1 ATOM 567 C C . LEU A 0 75 . -12.515 9.162 10.631 1.00 79.13 75 A 1 ATOM 568 C CB . LEU A 0 75 . -11.887 8.649 8.215 1.00 79.13 75 A 1 ATOM 569 O O . LEU A 0 75 . -13.316 8.457 11.237 1.00 79.13 75 A 1 ATOM 570 C CG . LEU A 0 75 . -12.180 7.140 8.283 1.00 79.13 75 A 1 ATOM 571 C CD1 . LEU A 0 75 . -13.564 6.804 7.723 1.00 79.13 75 A 1 ATOM 572 C CD2 . LEU A 0 75 . -11.134 6.381 7.466 1.00 79.13 75 A 1 ATOM 573 N N . ARG A 0 76 . -11.453 9.708 11.228 1.00 77.46 76 A 1 ATOM 574 C CA . ARG A 0 76 . -11.126 9.541 12.646 1.00 77.46 76 A 1 ATOM 575 C C . ARG A 0 76 . -12.220 10.102 13.548 1.00 77.46 76 A 1 ATOM 576 C CB . ARG A 0 76 . -9.773 10.209 12.919 1.00 77.46 76 A 1 ATOM 577 O O . ARG A 0 76 . -12.655 9.402 14.458 1.00 77.46 76 A 1 ATOM 578 C CG . ARG A 0 76 . -9.228 9.846 14.301 1.00 77.46 76 A 1 ATOM 579 C CD . ARG A 0 76 . -7.889 10.558 14.528 1.00 77.46 76 A 1 ATOM 580 N NE . ARG A 0 76 . -6.945 9.687 15.254 1.00 77.46 76 A 1 ATOM 581 N NH1 . ARG A 0 76 . -6.115 11.233 16.735 1.00 77.46 76 A 1 ATOM 582 N NH2 . ARG A 0 76 . -5.316 9.149 16.738 1.00 77.46 76 A 1 ATOM 583 C CZ . ARG A 0 76 . -6.136 10.030 16.236 1.00 77.46 76 A 1 ATOM 584 N N . GLU A 0 77 . -12.703 11.310 13.269 1.00 81.46 77 A 1 ATOM 585 C CA . GLU A 0 77 . -13.831 11.915 13.986 1.00 81.46 77 A 1 ATOM 586 C C . GLU A 0 77 . -15.109 11.082 13.843 1.00 81.46 77 A 1 ATOM 587 C CB . GLU A 0 77 . -14.128 13.314 13.437 1.00 81.46 77 A 1 ATOM 588 O O . GLU A 0 77 . -15.817 10.855 14.825 1.00 81.46 77 A 1 ATOM 589 C CG . GLU A 0 77 . -13.124 14.390 13.861 1.00 81.46 77 A 1 ATOM 590 C CD . GLU A 0 77 . -13.551 15.786 13.373 1.00 81.46 77 A 1 ATOM 591 O OE1 . GLU A 0 77 . -12.834 16.753 13.702 1.00 81.46 77 A 1 ATOM 592 O OE2 . GLU A 0 77 . -14.613 15.893 12.705 1.00 81.46 77 A 1 ATOM 593 N N . ALA A 0 78 . -15.408 10.595 12.634 1.00 78.88 78 A 1 ATOM 594 C CA . ALA A 0 78 . -16.568 9.741 12.396 1.00 78.88 78 A 1 ATOM 595 C C . ALA A 0 78 . -16.465 8.422 13.179 1.00 78.88 78 A 1 ATOM 596 C CB . ALA A 0 78 . -16.713 9.504 10.889 1.00 78.88 78 A 1 ATOM 597 O O . ALA A 0 78 . -17.432 8.013 13.819 1.00 78.88 78 A 1 ATOM 598 N N . VAL A 0 79 . -15.287 7.791 13.193 1.00 76.97 79 A 1 ATOM 599 C CA . VAL A 0 79 . -15.023 6.574 13.974 1.00 76.97 79 A 1 ATOM 600 C C . VAL A 0 79 . -15.142 6.844 15.474 1.00 76.97 79 A 1 ATOM 601 C CB . VAL A 0 79 . -13.650 5.973 13.611 1.00 76.97 79 A 1 ATOM 602 O O . VAL A 0 79 . -15.746 6.040 16.175 1.00 76.97 79 A 1 ATOM 603 C CG1 . VAL A 0 79 . -13.232 4.834 14.552 1.00 76.97 79 A 1 ATOM 604 C CG2 . VAL A 0 79 . -13.676 5.381 12.193 1.00 76.97 79 A 1 ATOM 605 N N . GLN A 0 80 . -14.646 7.978 15.977 1.00 76.48 80 A 1 ATOM 606 C CA . GLN A 0 80 . -14.811 8.356 17.386 1.00 76.48 80 A 1 ATOM 607 C C . GLN A 0 80 . -16.281 8.577 17.760 1.00 76.48 80 A 1 ATOM 608 C CB . GLN A 0 80 . -13.994 9.616 17.696 1.00 76.48 80 A 1 ATOM 609 O O . GLN A 0 80 . -16.717 8.103 18.806 1.00 76.48 80 A 1 ATOM 610 C CG . GLN A 0 80 . -12.498 9.311 17.845 1.00 76.48 80 A 1 ATOM 611 C CD . GLN A 0 80 . -11.691 10.558 18.186 1.00 76.48 80 A 1 ATOM 612 N NE2 . GLN A 0 80 . -10.547 10.414 18.818 1.00 76.48 80 A 1 ATOM 613 O OE1 . GLN A 0 80 . -12.057 11.682 17.905 1.00 76.48 80 A 1 ATOM 614 N N . LYS A 0 81 . -17.071 9.227 16.894 1.00 77.92 81 A 1 ATOM 615 C CA . LYS A 0 81 . -18.522 9.383 17.099 1.00 77.92 81 A 1 ATOM 616 C C . LYS A 0 81 . -19.256 8.043 17.096 1.00 77.92 81 A 1 ATOM 617 C CB . LYS A 0 81 . -19.113 10.311 16.029 1.00 77.92 81 A 1 ATOM 618 O O . LYS A 0 81 . -20.195 7.867 17.865 1.00 77.92 81 A 1 ATOM 619 C CG . LYS A 0 81 . -18.781 11.781 16.310 1.00 77.92 81 A 1 ATOM 620 C CD . LYS A 0 81 . -19.348 12.686 15.210 1.00 77.92 81 A 1 ATOM 621 C CE . LYS A 0 81 . -18.996 14.142 15.535 1.00 77.92 81 A 1 ATOM 622 N NZ . LYS A 0 81 . -19.392 15.071 14.448 1.00 77.92 81 A 1 ATOM 623 N N . LEU A 0 82 . -18.829 7.103 16.253 1.00 72.78 82 A 1 ATOM 624 C CA . LEU A 0 82 . -19.402 5.756 16.190 1.00 72.78 82 A 1 ATOM 625 C C . LEU A 0 82 . -18.958 4.865 17.364 1.00 72.78 82 A 1 ATOM 626 C CB . LEU A 0 82 . -19.037 5.125 14.834 1.00 72.78 82 A 1 ATOM 627 O O . LEU A 0 82 . -19.723 4.003 17.782 1.00 72.78 82 A 1 ATOM 628 C CG . LEU A 0 82 . -19.773 5.747 13.631 1.00 72.78 82 A 1 ATOM 629 C CD1 . LEU A 0 82 . -19.116 5.285 12.329 1.00 72.78 82 A 1 ATOM 630 C CD2 . LEU A 0 82 . -21.249 5.344 13.590 1.00 72.78 82 A 1 ATOM 631 N N . GLY A 0 83 . -17.751 5.074 17.898 1.00 62.39 83 A 1 ATOM 632 C CA . GLY A 0 83 . -17.189 4.336 19.035 1.00 62.39 83 A 1 ATOM 633 C C . GLY A 0 83 . -17.500 4.930 20.414 1.00 62.39 83 A 1 ATOM 634 O O . GLY A 0 83 . -17.085 4.362 21.417 1.00 62.39 83 A 1 ATOM 635 N N . GLY A 0 84 . -18.210 6.060 20.478 1.00 51.95 84 A 1 ATOM 636 C CA . GLY A 0 84 . -18.596 6.759 21.711 1.00 51.95 84 A 1 ATOM 637 C C . GLY A 0 84 . -19.867 6.230 22.391 1.00 51.95 84 A 1 ATOM 638 O O . GLY A 0 84 . -20.594 7.017 22.997 1.00 51.95 84 A 1 ATOM 639 N N . ARG A 0 85 . -20.158 4.929 22.272 1.00 45.82 85 A 1 ATOM 640 C CA . ARG A 0 85 . -21.211 4.223 23.019 1.00 45.82 85 A 1 ATOM 641 C C . ARG A 0 85 . -20.657 2.973 23.683 1.00 45.82 85 A 1 ATOM 642 C CB . ARG A 0 85 . -22.401 3.855 22.120 1.00 45.82 85 A 1 ATOM 643 O O . ARG A 0 85 . -19.957 2.209 22.983 1.00 45.82 85 A 1 ATOM 644 C CG . ARG A 0 85 . -23.471 4.949 22.112 1.00 45.82 85 A 1 ATOM 645 C CD . ARG A 0 85 . -24.684 4.458 21.315 1.00 45.82 85 A 1 ATOM 646 N NE . ARG A 0 85 . -25.817 5.396 21.410 1.00 45.82 85 A 1 ATOM 647 N NH1 . ARG A 0 85 . -26.925 4.722 19.520 1.00 45.82 85 A 1 ATOM 648 N NH2 . ARG A 0 85 . -27.790 6.336 20.791 1.00 45.82 85 A 1 ATOM 649 C CZ . ARG A 0 85 . -26.833 5.480 20.576 1.00 45.82 85 A 1 ATOM 650 O OXT . ARG A 0 85 . -21.016 2.798 24.862 1.00 45.82 85 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 58.28 # loop_ _atom_type.symbol C N O S #