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 VAL 0 4 GLN 0 5 VAL 0 6 SER 0 7 SER 0 8 SER 0 9 SER 0 10 PHE 0 11 ARG 0 12 MET 0 13 ALA 0 14 LEU 0 15 PHE 0 16 VAL 0 17 THR 0 18 GLY 0 19 ILE 0 20 VAL 0 21 ALA 0 22 GLY 0 23 MET 0 24 PHE 0 25 GLY 0 26 PHE 0 27 ARG 0 28 ALA 0 29 LEU 0 30 SER 0 31 LYS 0 32 ARG 0 33 ILE 0 34 SER 0 35 VAL 0 36 ARG 0 37 GLU 0 38 GLU 0 39 MET 0 40 LYS 0 41 GLY 0 42 LYS 0 43 SER 0 44 ALA 0 45 LEU 0 46 TYR 0 47 GLY 0 48 LYS 0 49 ARG 0 50 LYS 0 51 VAL 0 52 PRO 0 53 ALA 0 54 GLY 0 55 GLU 0 56 ASP 0 57 PRO 0 58 TRP 0 59 LYS 0 60 TYR # 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 . -22.720 -3.757 34.520 1.00 53.99 1 A 1 ATOM 2 C CA . MET A 0 1 . -23.591 -3.104 33.515 1.00 53.99 1 A 1 ATOM 3 C C . MET A 0 1 . -23.358 -3.780 32.168 1.00 53.99 1 A 1 ATOM 4 C CB . MET A 0 1 . -23.268 -1.602 33.436 1.00 53.99 1 A 1 ATOM 5 O O . MET A 0 1 . -22.219 -3.803 31.726 1.00 53.99 1 A 1 ATOM 6 C CG . MET A 0 1 . -23.796 -0.832 34.654 1.00 53.99 1 A 1 ATOM 7 S SD . MET A 0 1 . -23.118 0.839 34.777 1.00 53.99 1 A 1 ATOM 8 C CE . MET A 0 1 . -24.278 1.590 35.955 1.00 53.99 1 A 1 ATOM 9 N N . LYS A 0 2 . -24.376 -4.399 31.550 1.00 66.18 2 A 1 ATOM 10 C CA . LYS A 0 2 . -24.269 -4.929 30.177 1.00 66.18 2 A 1 ATOM 11 C C . LYS A 0 2 . -24.584 -3.783 29.213 1.00 66.18 2 A 1 ATOM 12 C CB . LYS A 0 2 . -25.218 -6.128 29.954 1.00 66.18 2 A 1 ATOM 13 O O . LYS A 0 2 . -25.684 -3.244 29.262 1.00 66.18 2 A 1 ATOM 14 C CG . LYS A 0 2 . -24.717 -7.438 30.593 1.00 66.18 2 A 1 ATOM 15 C CD . LYS A 0 2 . -25.702 -8.600 30.356 1.00 66.18 2 A 1 ATOM 16 C CE . LYS A 0 2 . -25.162 -9.916 30.942 1.00 66.18 2 A 1 ATOM 17 N NZ . LYS A 0 2 . -26.139 -11.031 30.816 1.00 66.18 2 A 1 ATOM 18 N N . VAL A 0 3 . -23.620 -3.385 28.385 1.00 70.16 3 A 1 ATOM 19 C CA . VAL A 0 3 . -23.833 -2.376 27.339 1.00 70.16 3 A 1 ATOM 20 C C . VAL A 0 3 . -24.555 -3.062 26.182 1.00 70.16 3 A 1 ATOM 21 C CB . VAL A 0 3 . -22.503 -1.735 26.889 1.00 70.16 3 A 1 ATOM 22 O O . VAL A 0 3 . -23.965 -3.871 25.470 1.00 70.16 3 A 1 ATOM 23 C CG1 . VAL A 0 3 . -22.728 -0.671 25.807 1.00 70.16 3 A 1 ATOM 24 C CG2 . VAL A 0 3 . -21.786 -1.063 28.069 1.00 70.16 3 A 1 ATOM 25 N N . GLN A 0 4 . -25.846 -2.783 26.015 1.00 70.50 4 A 1 ATOM 26 C CA . GLN A 0 4 . -26.611 -3.251 24.864 1.00 70.50 4 A 1 ATOM 27 C C . GLN A 0 4 . -26.362 -2.285 23.703 1.00 70.50 4 A 1 ATOM 28 C CB . GLN A 0 4 . -28.091 -3.397 25.252 1.00 70.50 4 A 1 ATOM 29 O O . GLN A 0 4 . -26.962 -1.216 23.624 1.00 70.50 4 A 1 ATOM 30 C CG . GLN A 0 4 . -28.894 -4.172 24.199 1.00 70.50 4 A 1 ATOM 31 C CD . GLN A 0 4 . -30.320 -4.421 24.677 1.00 70.50 4 A 1 ATOM 32 N NE2 . GLN A 0 4 . -31.304 -3.718 24.162 1.00 70.50 4 A 1 ATOM 33 O OE1 . GLN A 0 4 . -30.566 -5.240 25.545 1.00 70.50 4 A 1 ATOM 34 N N . VAL A 0 5 . -25.425 -2.634 22.824 1.00 65.88 5 A 1 ATOM 35 C CA . VAL A 0 5 . -25.164 -1.852 21.611 1.00 65.88 5 A 1 ATOM 36 C C . VAL A 0 5 . -26.351 -2.037 20.664 1.00 65.88 5 A 1 ATOM 37 C CB . VAL A 0 5 . -23.829 -2.247 20.950 1.00 65.88 5 A 1 ATOM 38 O O . VAL A 0 5 . -26.720 -3.164 20.338 1.00 65.88 5 A 1 ATOM 39 C CG1 . VAL A 0 5 . -23.471 -1.258 19.833 1.00 65.88 5 A 1 ATOM 40 C CG2 . VAL A 0 5 . -22.673 -2.254 21.962 1.00 65.88 5 A 1 ATOM 41 N N . SER A 0 6 . -26.974 -0.936 20.237 1.00 72.93 6 A 1 ATOM 42 C CA . SER A 0 6 . -28.067 -0.971 19.259 1.00 72.93 6 A 1 ATOM 43 C C . SER A 0 6 . -27.595 -1.613 17.948 1.00 72.93 6 A 1 ATOM 44 C CB . SER A 0 6 . -28.593 0.448 19.015 1.00 72.93 6 A 1 ATOM 45 O O . SER A 0 6 . -26.507 -1.299 17.457 1.00 72.93 6 A 1 ATOM 46 O OG . SER A 0 6 . -29.574 0.448 17.996 1.00 72.93 6 A 1 ATOM 47 N N . SER A 0 7 . -28.421 -2.486 17.356 1.00 79.80 7 A 1 ATOM 48 C CA . SER A 0 7 . -28.132 -3.157 16.076 1.00 79.80 7 A 1 ATOM 49 C C . SER A 0 7 . -27.726 -2.158 14.982 1.00 79.80 7 A 1 ATOM 50 C CB . SER A 0 7 . -29.367 -3.949 15.630 1.00 79.80 7 A 1 ATOM 51 O O . SER A 0 7 . -26.775 -2.398 14.238 1.00 79.80 7 A 1 ATOM 52 O OG . SER A 0 7 . -29.141 -4.593 14.392 1.00 79.80 7 A 1 ATOM 53 N N . SER A 0 8 . -28.371 -0.986 14.936 1.00 82.16 8 A 1 ATOM 54 C CA . SER A 0 8 . -28.037 0.082 13.987 1.00 82.16 8 A 1 ATOM 55 C C . SER A 0 8 . -26.629 0.642 14.206 1.00 82.16 8 A 1 ATOM 56 C CB . SER A 0 8 . -29.064 1.214 14.078 1.00 82.16 8 A 1 ATOM 57 O O . SER A 0 8 . -25.894 0.831 13.240 1.00 82.16 8 A 1 ATOM 58 O OG . SER A 0 8 . -30.358 0.695 13.839 1.00 82.16 8 A 1 ATOM 59 N N . SER A 0 9 . -26.214 0.851 15.459 1.00 82.64 9 A 1 ATOM 60 C CA . SER A 0 9 . -24.868 1.338 15.790 1.00 82.64 9 A 1 ATOM 61 C C . SER A 0 9 . -23.790 0.332 15.387 1.00 82.64 9 A 1 ATOM 62 C CB . SER A 0 9 . -24.752 1.629 17.290 1.00 82.64 9 A 1 ATOM 63 O O . SER A 0 9 . -22.761 0.725 14.843 1.00 82.64 9 A 1 ATOM 64 O OG . SER A 0 9 . -25.760 2.533 17.701 1.00 82.64 9 A 1 ATOM 65 N N . PHE A 0 10 . -24.045 -0.966 15.580 1.00 86.64 10 A 1 ATOM 66 C CA . PHE A 0 10 . -23.131 -2.020 15.139 1.00 86.64 10 A 1 ATOM 67 C C . PHE A 0 10 . -22.992 -2.061 13.609 1.00 86.64 10 A 1 ATOM 68 C CB . PHE A 0 10 . -23.605 -3.366 15.698 1.00 86.64 10 A 1 ATOM 69 O O . PHE A 0 10 . -21.879 -2.129 13.092 1.00 86.64 10 A 1 ATOM 70 C CG . PHE A 0 10 . -22.671 -4.510 15.359 1.00 86.64 10 A 1 ATOM 71 C CD1 . PHE A 0 10 . -23.022 -5.447 14.369 1.00 86.64 10 A 1 ATOM 72 C CD2 . PHE A 0 10 . -21.438 -4.628 16.027 1.00 86.64 10 A 1 ATOM 73 C CE1 . PHE A 0 10 . -22.150 -6.506 14.063 1.00 86.64 10 A 1 ATOM 74 C CE2 . PHE A 0 10 . -20.559 -5.677 15.708 1.00 86.64 10 A 1 ATOM 75 C CZ . PHE A 0 10 . -20.915 -6.617 14.726 1.00 86.64 10 A 1 ATOM 76 N N . ARG A 0 11 . -24.103 -1.936 12.868 1.00 89.56 11 A 1 ATOM 77 C CA . ARG A 0 11 . -24.075 -1.865 11.395 1.00 89.56 11 A 1 ATOM 78 C C . ARG A 0 11 . -23.286 -0.653 10.903 1.00 89.56 11 A 1 ATOM 79 C CB . ARG A 0 11 . -25.500 -1.853 10.823 1.00 89.56 11 A 1 ATOM 80 O O . ARG A 0 11 . -22.466 -0.802 10.004 1.00 89.56 11 A 1 ATOM 81 C CG . ARG A 0 11 . -26.212 -3.199 11.024 1.00 89.56 11 A 1 ATOM 82 C CD . ARG A 0 11 . -27.666 -3.146 10.540 1.00 89.56 11 A 1 ATOM 83 N NE . ARG A 0 11 . -27.755 -3.217 9.068 1.00 89.56 11 A 1 ATOM 84 N NH1 . ARG A 0 11 . -29.961 -2.608 8.854 1.00 89.56 11 A 1 ATOM 85 N NH2 . ARG A 0 11 . -28.794 -3.182 7.041 1.00 89.56 11 A 1 ATOM 86 C CZ . ARG A 0 11 . -28.832 -3.001 8.332 1.00 89.56 11 A 1 ATOM 87 N N . MET A 0 12 . -23.488 0.519 11.506 1.00 90.92 12 A 1 ATOM 88 C CA . MET A 0 12 . -22.729 1.725 11.152 1.00 90.92 12 A 1 ATOM 89 C C . MET A 0 12 . -21.235 1.566 11.444 1.00 90.92 12 A 1 ATOM 90 C CB . MET A 0 12 . -23.292 2.954 11.880 1.00 90.92 12 A 1 ATOM 91 O O . MET A 0 12 . -20.419 1.946 10.609 1.00 90.92 12 A 1 ATOM 92 C CG . MET A 0 12 . -24.686 3.344 11.375 1.00 90.92 12 A 1 ATOM 93 S SD . MET A 0 12 . -24.809 3.721 9.604 1.00 90.92 12 A 1 ATOM 94 C CE . MET A 0 12 . -23.997 5.342 9.548 1.00 90.92 12 A 1 ATOM 95 N N . ALA A 0 13 . -20.869 0.950 12.573 1.00 90.60 13 A 1 ATOM 96 C CA . ALA A 0 13 . -19.474 0.640 12.877 1.00 90.60 13 A 1 ATOM 97 C C . ALA A 0 13 . -18.857 -0.271 11.804 1.00 90.60 13 A 1 ATOM 98 C CB . ALA A 0 13 . -19.385 0.030 14.280 1.00 90.60 13 A 1 ATOM 99 O O . ALA A 0 13 . -17.797 0.051 11.277 1.00 90.60 13 A 1 ATOM 100 N N . LEU A 0 14 . -19.552 -1.341 11.399 1.00 93.25 14 A 1 ATOM 101 C CA . LEU A 0 14 . -19.097 -2.218 10.315 1.00 93.25 14 A 1 ATOM 102 C C . LEU A 0 14 . -18.947 -1.483 8.979 1.00 93.25 14 A 1 ATOM 103 C CB . LEU A 0 14 . -20.065 -3.399 10.144 1.00 93.25 14 A 1 ATOM 104 O O . LEU A 0 14 . -17.960 -1.705 8.282 1.00 93.25 14 A 1 ATOM 105 C CG . LEU A 0 14 . -20.022 -4.458 11.257 1.00 93.25 14 A 1 ATOM 106 C CD1 . LEU A 0 14 . -21.070 -5.523 10.933 1.00 93.25 14 A 1 ATOM 107 C CD2 . LEU A 0 14 . -18.658 -5.144 11.358 1.00 93.25 14 A 1 ATOM 108 N N . PHE A 0 15 . -19.880 -0.594 8.624 1.00 94.20 15 A 1 ATOM 109 C CA . PHE A 0 15 . -19.767 0.216 7.408 1.00 94.20 15 A 1 ATOM 110 C C . PHE A 0 15 . -18.545 1.133 7.447 1.00 94.20 15 A 1 ATOM 111 C CB . PHE A 0 15 . -21.045 1.037 7.178 1.00 94.20 15 A 1 ATOM 112 O O . PHE A 0 15 . -17.772 1.157 6.492 1.00 94.20 15 A 1 ATOM 113 C CG . PHE A 0 15 . -22.122 0.289 6.421 1.00 94.20 15 A 1 ATOM 114 C CD1 . PHE A 0 15 . -21.918 -0.036 5.067 1.00 94.20 15 A 1 ATOM 115 C CD2 . PHE A 0 15 . -23.336 -0.054 7.043 1.00 94.20 15 A 1 ATOM 116 C CE1 . PHE A 0 15 . -22.912 -0.719 4.347 1.00 94.20 15 A 1 ATOM 117 C CE2 . PHE A 0 15 . -24.327 -0.748 6.327 1.00 94.20 15 A 1 ATOM 118 C CZ . PHE A 0 15 . -24.114 -1.082 4.978 1.00 94.20 15 A 1 ATOM 119 N N . VAL A 0 16 . -18.329 1.849 8.553 1.00 94.74 16 A 1 ATOM 120 C CA . VAL A 0 16 . -17.170 2.739 8.711 1.00 94.74 16 A 1 ATOM 121 C C . VAL A 0 16 . -15.869 1.939 8.668 1.00 94.74 16 A 1 ATOM 122 C CB . VAL A 0 16 . -17.287 3.569 10.002 1.00 94.74 16 A 1 ATOM 123 O O . VAL A 0 16 . -14.964 2.287 7.911 1.00 94.74 16 A 1 ATOM 124 C CG1 . VAL A 0 16 . -16.021 4.392 10.277 1.00 94.74 16 A 1 ATOM 125 C CG2 . VAL A 0 16 . -18.456 4.560 9.903 1.00 94.74 16 A 1 ATOM 126 N N . THR A 0 17 . -15.777 0.830 9.406 1.00 93.66 17 A 1 ATOM 127 C CA . THR A 0 17 . -14.604 -0.053 9.372 1.00 93.66 17 A 1 ATOM 128 C C . THR A 0 17 . -14.377 -0.631 7.975 1.00 93.66 17 A 1 ATOM 129 C CB . THR A 0 17 . -14.740 -1.189 10.397 1.00 93.66 17 A 1 ATOM 130 O O . THR A 0 17 . -13.236 -0.683 7.524 1.00 93.66 17 A 1 ATOM 131 C CG2 . THR A 0 17 . -13.488 -2.059 10.485 1.00 93.66 17 A 1 ATOM 132 O OG1 . THR A 0 17 . -14.929 -0.661 11.688 1.00 93.66 17 A 1 ATOM 133 N N . GLY A 0 18 . -15.442 -1.001 7.260 1.00 95.01 18 A 1 ATOM 134 C CA . GLY A 0 18 . -15.380 -1.484 5.882 1.00 95.01 18 A 1 ATOM 135 C C . GLY A 0 18 . -14.851 -0.433 4.905 1.00 95.01 18 A 1 ATOM 136 O O . GLY A 0 18 . -13.987 -0.748 4.092 1.00 95.01 18 A 1 ATOM 137 N N . ILE A 0 19 . -15.294 0.824 5.019 1.00 95.46 19 A 1 ATOM 138 C CA . ILE A 0 19 . -14.778 1.941 4.209 1.00 95.46 19 A 1 ATOM 139 C C . ILE A 0 19 . -13.295 2.163 4.499 1.00 95.46 19 A 1 ATOM 140 C CB . ILE A 0 19 . -15.600 3.230 4.450 1.00 95.46 19 A 1 ATOM 141 O O . ILE A 0 19 . -12.497 2.241 3.567 1.00 95.46 19 A 1 ATOM 142 C CG1 . ILE A 0 19 . -17.021 3.067 3.867 1.00 95.46 19 A 1 ATOM 143 C CG2 . ILE A 0 19 . -14.918 4.461 3.815 1.00 95.46 19 A 1 ATOM 144 C CD1 . ILE A 0 19 . -18.007 4.146 4.335 1.00 95.46 19 A 1 ATOM 145 N N . VAL A 0 20 . -12.902 2.214 5.774 1.00 95.25 20 A 1 ATOM 146 C CA . VAL A 0 20 . -11.499 2.406 6.165 1.00 95.25 20 A 1 ATOM 147 C C . VAL A 0 20 . -10.636 1.261 5.630 1.00 95.25 20 A 1 ATOM 148 C CB . VAL A 0 20 . -11.374 2.567 7.693 1.00 95.25 20 A 1 ATOM 149 O O . VAL A 0 20 . -9.653 1.510 4.933 1.00 95.25 20 A 1 ATOM 150 C CG1 . VAL A 0 20 . -9.912 2.618 8.154 1.00 95.25 20 A 1 ATOM 151 C CG2 . VAL A 0 20 . -12.031 3.874 8.156 1.00 95.25 20 A 1 ATOM 152 N N . ALA A 0 21 . -11.028 0.008 5.870 1.00 95.10 21 A 1 ATOM 153 C CA . ALA A 0 21 . -10.325 -1.164 5.354 1.00 95.10 21 A 1 ATOM 154 C C . ALA A 0 21 . -10.253 -1.158 3.818 1.00 95.10 21 A 1 ATOM 155 C CB . ALA A 0 21 . -11.025 -2.423 5.878 1.00 95.10 21 A 1 ATOM 156 O O . ALA A 0 21 . -9.194 -1.428 3.253 1.00 95.10 21 A 1 ATOM 157 N N . GLY A 0 22 . -11.342 -0.779 3.142 1.00 95.00 22 A 1 ATOM 158 C CA . GLY A 0 22 . -11.408 -0.634 1.691 1.00 95.00 22 A 1 ATOM 159 C C . GLY A 0 22 . -10.459 0.439 1.160 1.00 95.00 22 A 1 ATOM 160 O O . GLY A 0 22 . -9.733 0.187 0.204 1.00 95.00 22 A 1 ATOM 161 N N . MET A 0 23 . -10.378 1.604 1.807 1.00 92.83 23 A 1 ATOM 162 C CA . MET A 0 23 . -9.438 2.667 1.438 1.00 92.83 23 A 1 ATOM 163 C C . MET A 0 23 . -7.980 2.236 1.630 1.00 92.83 23 A 1 ATOM 164 C CB . MET A 0 23 . -9.707 3.929 2.268 1.00 92.83 23 A 1 ATOM 165 O O . MET A 0 23 . -7.146 2.467 0.750 1.00 92.83 23 A 1 ATOM 166 C CG . MET A 0 23 . -10.985 4.661 1.851 1.00 92.83 23 A 1 ATOM 167 S SD . MET A 0 23 . -11.291 6.164 2.818 1.00 92.83 23 A 1 ATOM 168 C CE . MET A 0 23 . -10.085 7.295 2.072 1.00 92.83 23 A 1 ATOM 169 N N . PHE A 0 24 . -7.659 1.580 2.750 1.00 91.92 24 A 1 ATOM 170 C CA . PHE A 0 24 . -6.318 1.042 2.994 1.00 91.92 24 A 1 ATOM 171 C C . PHE A 0 24 . -5.958 -0.057 1.987 1.00 91.92 24 A 1 ATOM 172 C CB . PHE A 0 24 . -6.202 0.538 4.441 1.00 91.92 24 A 1 ATOM 173 O O . PHE A 0 24 . -4.864 -0.031 1.419 1.00 91.92 24 A 1 ATOM 174 C CG . PHE A 0 24 . -5.768 1.613 5.420 1.00 91.92 24 A 1 ATOM 175 C CD1 . PHE A 0 24 . -4.402 1.926 5.553 1.00 91.92 24 A 1 ATOM 176 C CD2 . PHE A 0 24 . -6.710 2.300 6.207 1.00 91.92 24 A 1 ATOM 177 C CE1 . PHE A 0 24 . -3.988 2.917 6.462 1.00 91.92 24 A 1 ATOM 178 C CE2 . PHE A 0 24 . -6.300 3.299 7.105 1.00 91.92 24 A 1 ATOM 179 C CZ . PHE A 0 24 . -4.938 3.607 7.234 1.00 91.92 24 A 1 ATOM 180 N N . GLY A 0 25 . -6.890 -0.971 1.710 1.00 91.58 25 A 1 ATOM 181 C CA . GLY A 0 25 . -6.745 -2.027 0.713 1.00 91.58 25 A 1 ATOM 182 C C . GLY A 0 25 . -6.553 -1.468 -0.695 1.00 91.58 25 A 1 ATOM 183 O O . GLY A 0 25 . -5.599 -1.840 -1.372 1.00 91.58 25 A 1 ATOM 184 N N . PHE A 0 26 . -7.378 -0.503 -1.108 1.00 88.76 26 A 1 ATOM 185 C CA . PHE A 0 26 . -7.259 0.179 -2.397 1.00 88.76 26 A 1 ATOM 186 C C . PHE A 0 26 . -5.921 0.907 -2.530 1.00 88.76 26 A 1 ATOM 187 C CB . PHE A 0 26 . -8.419 1.166 -2.576 1.00 88.76 26 A 1 ATOM 188 O O . PHE A 0 26 . -5.274 0.822 -3.571 1.00 88.76 26 A 1 ATOM 189 C CG . PHE A 0 26 . -8.382 1.884 -3.912 1.00 88.76 26 A 1 ATOM 190 C CD1 . PHE A 0 26 . -7.908 3.208 -4.002 1.00 88.76 26 A 1 ATOM 191 C CD2 . PHE A 0 26 . -8.791 1.208 -5.076 1.00 88.76 26 A 1 ATOM 192 C CE1 . PHE A 0 26 . -7.846 3.850 -5.252 1.00 88.76 26 A 1 ATOM 193 C CE2 . PHE A 0 26 . -8.729 1.851 -6.325 1.00 88.76 26 A 1 ATOM 194 C CZ . PHE A 0 26 . -8.255 3.171 -6.413 1.00 88.76 26 A 1 ATOM 195 N N . ARG A 0 27 . -5.447 1.576 -1.472 1.00 84.71 27 A 1 ATOM 196 C CA . ARG A 0 27 . -4.136 2.241 -1.468 1.00 84.71 27 A 1 ATOM 197 C C . ARG A 0 27 . -2.984 1.237 -1.558 1.00 84.71 27 A 1 ATOM 198 C CB . ARG A 0 27 . -4.046 3.138 -0.226 1.00 84.71 27 A 1 ATOM 199 O O . ARG A 0 27 . -2.022 1.489 -2.279 1.00 84.71 27 A 1 ATOM 200 C CG . ARG A 0 27 . -2.842 4.090 -0.254 1.00 84.71 27 A 1 ATOM 201 C CD . ARG A 0 27 . -2.881 4.994 0.987 1.00 84.71 27 A 1 ATOM 202 N NE . ARG A 0 27 . -1.713 5.899 1.074 1.00 84.71 27 A 1 ATOM 203 N NH1 . ARG A 0 27 . -2.592 7.697 -0.067 1.00 84.71 27 A 1 ATOM 204 N NH2 . ARG A 0 27 . -0.551 7.846 0.806 1.00 84.71 27 A 1 ATOM 205 C CZ . ARG A 0 27 . -1.626 7.135 0.602 1.00 84.71 27 A 1 ATOM 206 N N . ALA A 0 28 . -3.068 0.104 -0.860 1.00 85.44 28 A 1 ATOM 207 C CA . ALA A 0 28 . -2.071 -0.964 -0.938 1.00 85.44 28 A 1 ATOM 208 C C . ALA A 0 28 . -2.059 -1.634 -2.319 1.00 85.44 28 A 1 ATOM 209 C CB . ALA A 0 28 . -2.349 -1.980 0.175 1.00 85.44 28 A 1 ATOM 210 O O . ALA A 0 28 . -0.991 -1.856 -2.887 1.00 85.44 28 A 1 ATOM 211 N N . LEU A 0 29 . -3.240 -1.889 -2.886 1.00 83.43 29 A 1 ATOM 212 C CA . LEU A 0 29 . -3.395 -2.436 -4.226 1.00 83.43 29 A 1 ATOM 213 C C . LEU A 0 29 . -2.873 -1.456 -5.275 1.00 83.43 29 A 1 ATOM 214 C CB . LEU A 0 29 . -4.873 -2.784 -4.460 1.00 83.43 29 A 1 ATOM 215 O O . LEU A 0 29 . -2.100 -1.851 -6.134 1.00 83.43 29 A 1 ATOM 216 C CG . LEU A 0 29 . -5.111 -3.526 -5.784 1.00 83.43 29 A 1 ATOM 217 C CD1 . LEU A 0 29 . -4.414 -4.891 -5.791 1.00 83.43 29 A 1 ATOM 218 C CD2 . LEU A 0 29 . -6.607 -3.732 -6.004 1.00 83.43 29 A 1 ATOM 219 N N . SER A 0 30 . -3.197 -0.169 -5.152 1.00 78.45 30 A 1 ATOM 220 C CA . SER A 0 30 . -2.706 0.879 -6.051 1.00 78.45 30 A 1 ATOM 221 C C . SER A 0 30 . -1.183 1.002 -6.015 1.00 78.45 30 A 1 ATOM 222 C CB . SER A 0 30 . -3.317 2.236 -5.700 1.00 78.45 30 A 1 ATOM 223 O O . SER A 0 30 . -0.588 1.257 -7.050 1.00 78.45 30 A 1 ATOM 224 O OG . SER A 0 30 . -4.720 2.218 -5.844 1.00 78.45 30 A 1 ATOM 225 N N . LYS A 0 31 . -0.533 0.775 -4.862 1.00 74.64 31 A 1 ATOM 226 C CA . LYS A 0 31 . 0.938 0.695 -4.754 1.00 74.64 31 A 1 ATOM 227 C C . LYS A 0 31 . 1.537 -0.577 -5.367 1.00 74.64 31 A 1 ATOM 228 C CB . LYS A 0 31 . 1.369 0.763 -3.284 1.00 74.64 31 A 1 ATOM 229 O O . LYS A 0 31 . 2.706 -0.574 -5.727 1.00 74.64 31 A 1 ATOM 230 C CG . LYS A 0 31 . 1.287 2.163 -2.666 1.00 74.64 31 A 1 ATOM 231 C CD . LYS A 0 31 . 1.825 2.079 -1.233 1.00 74.64 31 A 1 ATOM 232 C CE . LYS A 0 31 . 1.815 3.442 -0.540 1.00 74.64 31 A 1 ATOM 233 N NZ . LYS A 0 31 . 2.605 3.387 0.717 1.00 74.64 31 A 1 ATOM 234 N N . ARG A 0 32 . 0.784 -1.678 -5.444 1.00 72.14 32 A 1 ATOM 235 C CA . ARG A 0 32 . 1.240 -2.926 -6.090 1.00 72.14 32 A 1 ATOM 236 C C . ARG A 0 32 . 1.004 -2.907 -7.597 1.00 72.14 32 A 1 ATOM 237 C CB . ARG A 0 32 . 0.555 -4.145 -5.462 1.00 72.14 32 A 1 ATOM 238 O O . ARG A 0 32 . 1.861 -3.336 -8.352 1.00 72.14 32 A 1 ATOM 239 C CG . ARG A 0 32 . 1.085 -4.460 -4.058 1.00 72.14 32 A 1 ATOM 240 C CD . ARG A 0 32 . 0.444 -5.759 -3.560 1.00 72.14 32 A 1 ATOM 241 N NE . ARG A 0 32 . 0.929 -6.127 -2.214 1.00 72.14 32 A 1 ATOM 242 N NH1 . ARG A 0 32 . 1.449 -8.337 -2.620 1.00 72.14 32 A 1 ATOM 243 N NH2 . ARG A 0 32 . 1.708 -7.503 -0.574 1.00 72.14 32 A 1 ATOM 244 C CZ . ARG A 0 32 . 1.357 -7.315 -1.815 1.00 72.14 32 A 1 ATOM 245 N N . ILE A 0 33 . -0.145 -2.381 -8.016 1.00 67.31 33 A 1 ATOM 246 C CA . ILE A 0 33 . -0.528 -2.166 -9.416 1.00 67.31 33 A 1 ATOM 247 C C . ILE A 0 33 . 0.104 -0.883 -9.954 1.00 67.31 33 A 1 ATOM 248 C CB . ILE A 0 33 . -2.074 -2.176 -9.589 1.00 67.31 33 A 1 ATOM 249 O O . ILE A 0 33 . -0.062 -0.576 -11.127 1.00 67.31 33 A 1 ATOM 250 C CG1 . ILE A 0 33 . -2.661 -3.508 -9.068 1.00 67.31 33 A 1 ATOM 251 C CG2 . ILE A 0 33 . -2.517 -1.972 -11.058 1.00 67.31 33 A 1 ATOM 252 C CD1 . ILE A 0 33 . -4.188 -3.607 -9.192 1.00 67.31 33 A 1 ATOM 253 N N . SER A 0 34 . 0.850 -0.111 -9.155 1.00 60.44 34 A 1 ATOM 254 C CA . SER A 0 34 . 1.586 1.033 -9.680 1.00 60.44 34 A 1 ATOM 255 C C . SER A 0 34 . 2.744 0.562 -10.561 1.00 60.44 34 A 1 ATOM 256 C CB . SER A 0 34 . 2.029 2.038 -8.606 1.00 60.44 34 A 1 ATOM 257 O O . SER A 0 34 . 3.906 0.774 -10.240 1.00 60.44 34 A 1 ATOM 258 O OG . SER A 0 34 . 2.900 1.481 -7.656 1.00 60.44 34 A 1 ATOM 259 N N . VAL A 0 35 . 2.400 0.149 -11.781 1.00 61.60 35 A 1 ATOM 260 C CA . VAL A 0 35 . 3.151 0.311 -13.029 1.00 61.60 35 A 1 ATOM 261 C C . VAL A 0 35 . 3.349 1.811 -13.315 1.00 61.60 35 A 1 ATOM 262 C CB . VAL A 0 35 . 2.407 -0.386 -14.207 1.00 61.60 35 A 1 ATOM 263 O O . VAL A 0 35 . 3.600 2.220 -14.432 1.00 61.60 35 A 1 ATOM 264 C CG1 . VAL A 0 35 . 3.363 -0.797 -15.328 1.00 61.60 35 A 1 ATOM 265 C CG2 . VAL A 0 35 . 1.697 -1.692 -13.818 1.00 61.60 35 A 1 ATOM 266 N N . ARG A 0 36 . 3.182 2.688 -12.320 1.00 61.38 36 A 1 ATOM 267 C CA . ARG A 0 36 . 3.218 4.138 -12.442 1.00 61.38 36 A 1 ATOM 268 C C . ARG A 0 36 . 4.604 4.592 -12.854 1.00 61.38 36 A 1 ATOM 269 C CB . ARG A 0 36 . 2.801 4.740 -11.103 1.00 61.38 36 A 1 ATOM 270 O O . ARG A 0 36 . 4.702 5.425 -13.737 1.00 61.38 36 A 1 ATOM 271 C CG . ARG A 0 36 . 2.540 6.238 -11.213 1.00 61.38 36 A 1 ATOM 272 C CD . ARG A 0 36 . 2.177 6.749 -9.822 1.00 61.38 36 A 1 ATOM 273 N NE . ARG A 0 36 . 1.329 7.933 -9.937 1.00 61.38 36 A 1 ATOM 274 N NH1 . ARG A 0 36 . 2.528 9.392 -8.626 1.00 61.38 36 A 1 ATOM 275 N NH2 . ARG A 0 36 . 0.587 9.995 -9.557 1.00 61.38 36 A 1 ATOM 276 C CZ . ARG A 0 36 . 1.501 9.098 -9.370 1.00 61.38 36 A 1 ATOM 277 N N . GLU A 0 37 . 5.644 4.012 -12.260 1.00 62.81 37 A 1 ATOM 278 C CA . GLU A 0 37 . 7.029 4.243 -12.675 1.00 62.81 37 A 1 ATOM 279 C C . GLU A 0 37 . 7.321 3.579 -14.026 1.00 62.81 37 A 1 ATOM 280 C CB . GLU A 0 37 . 7.994 3.738 -11.589 1.00 62.81 37 A 1 ATOM 281 O O . GLU A 0 37 . 7.912 4.194 -14.904 1.00 62.81 37 A 1 ATOM 282 C CG . GLU A 0 37 . 7.826 4.451 -10.234 1.00 62.81 37 A 1 ATOM 283 C CD . GLU A 0 37 . 7.964 5.973 -10.347 1.00 62.81 37 A 1 ATOM 284 O OE1 . GLU A 0 37 . 7.147 6.713 -9.743 1.00 62.81 37 A 1 ATOM 285 O OE2 . GLU A 0 37 . 8.822 6.459 -11.117 1.00 62.81 37 A 1 ATOM 286 N N . GLU A 0 38 . 6.820 2.363 -14.244 1.00 66.78 38 A 1 ATOM 287 C CA . GLU A 0 38 . 7.026 1.618 -15.491 1.00 66.78 38 A 1 ATOM 288 C C . GLU A 0 38 . 6.270 2.194 -16.705 1.00 66.78 38 A 1 ATOM 289 C CB . GLU A 0 38 . 6.601 0.167 -15.260 1.00 66.78 38 A 1 ATOM 290 O O . GLU A 0 38 . 6.706 1.985 -17.835 1.00 66.78 38 A 1 ATOM 291 C CG . GLU A 0 38 . 7.634 -0.685 -14.518 1.00 66.78 38 A 1 ATOM 292 C CD . GLU A 0 38 . 7.137 -2.128 -14.322 1.00 66.78 38 A 1 ATOM 293 O OE1 . GLU A 0 38 . 7.580 -2.755 -13.339 1.00 66.78 38 A 1 ATOM 294 O OE2 . GLU A 0 38 . 6.316 -2.581 -15.152 1.00 66.78 38 A 1 ATOM 295 N N . MET A 0 39 . 5.159 2.911 -16.503 1.00 67.46 39 A 1 ATOM 296 C CA . MET A 0 39 . 4.354 3.576 -17.537 1.00 67.46 39 A 1 ATOM 297 C C . MET A 0 39 . 4.674 5.071 -17.676 1.00 67.46 39 A 1 ATOM 298 C CB . MET A 0 39 . 2.837 3.406 -17.299 1.00 67.46 39 A 1 ATOM 299 O O . MET A 0 39 . 4.124 5.727 -18.570 1.00 67.46 39 A 1 ATOM 300 C CG . MET A 0 39 . 2.277 1.984 -17.400 1.00 67.46 39 A 1 ATOM 301 S SD . MET A 0 39 . 2.815 1.007 -18.833 1.00 67.46 39 A 1 ATOM 302 C CE . MET A 0 39 . 1.759 -0.458 -18.635 1.00 67.46 39 A 1 ATOM 303 N N . LYS A 0 40 . 5.554 5.638 -16.833 1.00 63.22 40 A 1 ATOM 304 C CA . LYS A 0 40 . 6.037 7.016 -17.022 1.00 63.22 40 A 1 ATOM 305 C C . LYS A 0 40 . 6.648 7.138 -18.416 1.00 63.22 40 A 1 ATOM 306 C CB . LYS A 0 40 . 7.066 7.413 -15.951 1.00 63.22 40 A 1 ATOM 307 O O . LYS A 0 40 . 7.460 6.318 -18.829 1.00 63.22 40 A 1 ATOM 308 C CG . LYS A 0 40 . 6.415 8.059 -14.722 1.00 63.22 40 A 1 ATOM 309 C CD . LYS A 0 40 . 7.436 8.255 -13.599 1.00 63.22 40 A 1 ATOM 310 C CE . LYS A 0 40 . 6.736 8.616 -12.287 1.00 63.22 40 A 1 ATOM 311 N NZ . LYS A 0 40 . 7.730 8.874 -11.226 1.00 63.22 40 A 1 ATOM 312 N N . GLY A 0 41 . 6.209 8.143 -19.170 1.00 64.32 41 A 1 ATOM 313 C CA . GLY A 0 41 . 6.693 8.373 -20.532 1.00 64.32 41 A 1 ATOM 314 C C . GLY A 0 41 . 6.273 7.319 -21.572 1.00 64.32 41 A 1 ATOM 315 O O . GLY A 0 41 . 6.772 7.363 -22.690 1.00 64.32 41 A 1 ATOM 316 N N . LYS A 0 42 . 5.357 6.388 -21.259 1.00 70.59 42 A 1 ATOM 317 C CA . LYS A 0 42 . 4.843 5.409 -22.242 1.00 70.59 42 A 1 ATOM 318 C C . LYS A 0 42 . 3.474 5.763 -22.826 1.00 70.59 42 A 1 ATOM 319 C CB . LYS A 0 42 . 4.839 3.995 -21.646 1.00 70.59 42 A 1 ATOM 320 O O . LYS A 0 42 . 3.079 5.194 -23.838 1.00 70.59 42 A 1 ATOM 321 C CG . LYS A 0 42 . 6.257 3.480 -21.356 1.00 70.59 42 A 1 ATOM 322 C CD . LYS A 0 42 . 6.212 1.994 -20.985 1.00 70.59 42 A 1 ATOM 323 C CE . LYS A 0 42 . 7.615 1.479 -20.645 1.00 70.59 42 A 1 ATOM 324 N NZ . LYS A 0 42 . 7.541 0.241 -19.832 1.00 70.59 42 A 1 ATOM 325 N N . SER A 0 43 . 2.735 6.694 -22.222 1.00 73.32 43 A 1 ATOM 326 C CA . SER A 0 43 . 1.442 7.134 -22.762 1.00 73.32 43 A 1 ATOM 327 C C . SER A 0 43 . 1.621 8.082 -23.952 1.00 73.32 43 A 1 ATOM 328 C CB . SER A 0 43 . 0.579 7.757 -21.663 1.00 73.32 43 A 1 ATOM 329 O O . SER A 0 43 . 2.564 8.872 -23.988 1.00 73.32 43 A 1 ATOM 330 O OG . SER A 0 43 . 1.161 8.950 -21.182 1.00 73.32 43 A 1 ATOM 331 N N . ALA A 0 44 . 0.685 8.065 -24.906 1.00 73.16 44 A 1 ATOM 332 C CA . ALA A 0 44 . 0.729 8.940 -26.085 1.00 73.16 44 A 1 ATOM 333 C C . ALA A 0 44 . 0.798 10.442 -25.727 1.00 73.16 44 A 1 ATOM 334 C CB . ALA A 0 44 . -0.502 8.634 -26.948 1.00 73.16 44 A 1 ATOM 335 O O . ALA A 0 44 . 1.417 11.224 -26.445 1.00 73.16 44 A 1 ATOM 336 N N . LEU A 0 45 . 0.206 10.834 -24.591 1.00 69.65 45 A 1 ATOM 337 C CA . LEU A 0 45 . 0.158 12.222 -24.118 1.00 69.65 45 A 1 ATOM 338 C C . LEU A 0 45 . 1.454 12.688 -23.431 1.00 69.65 45 A 1 ATOM 339 C CB . LEU A 0 45 . -1.043 12.377 -23.165 1.00 69.65 45 A 1 ATOM 340 O O . LEU A 0 45 . 1.784 13.873 -23.501 1.00 69.65 45 A 1 ATOM 341 C CG . LEU A 0 45 . -2.424 12.203 -23.826 1.00 69.65 45 A 1 ATOM 342 C CD1 . LEU A 0 45 . -3.509 12.231 -22.750 1.00 69.65 45 A 1 ATOM 343 C CD2 . LEU A 0 45 . -2.720 13.307 -24.842 1.00 69.65 45 A 1 ATOM 344 N N . TYR A 0 46 . 2.193 11.782 -22.781 1.00 67.68 46 A 1 ATOM 345 C CA . TYR A 0 46 . 3.360 12.137 -21.959 1.00 67.68 46 A 1 ATOM 346 C C . TYR A 0 46 . 4.679 11.537 -22.447 1.00 67.68 46 A 1 ATOM 347 C CB . TYR A 0 46 . 3.097 11.797 -20.486 1.00 67.68 46 A 1 ATOM 348 O O . TYR A 0 46 . 5.731 11.951 -21.972 1.00 67.68 46 A 1 ATOM 349 C CG . TYR A 0 46 . 1.964 12.598 -19.876 1.00 67.68 46 A 1 ATOM 350 C CD1 . TYR A 0 46 . 2.222 13.858 -19.300 1.00 67.68 46 A 1 ATOM 351 C CD2 . TYR A 0 46 . 0.645 12.112 -19.921 1.00 67.68 46 A 1 ATOM 352 C CE1 . TYR A 0 46 . 1.171 14.604 -18.730 1.00 67.68 46 A 1 ATOM 353 C CE2 . TYR A 0 46 . -0.404 12.865 -19.368 1.00 67.68 46 A 1 ATOM 354 O OH . TYR A 0 46 . -1.159 14.751 -18.124 1.00 67.68 46 A 1 ATOM 355 C CZ . TYR A 0 46 . -0.141 14.087 -18.727 1.00 67.68 46 A 1 ATOM 356 N N . GLY A 0 47 . 4.671 10.625 -23.423 1.00 69.67 47 A 1 ATOM 357 C CA . GLY A 0 47 . 5.891 9.957 -23.888 1.00 69.67 47 A 1 ATOM 358 C C . GLY A 0 47 . 6.901 10.843 -24.605 1.00 69.67 47 A 1 ATOM 359 O O . GLY A 0 47 . 8.063 10.477 -24.732 1.00 69.67 47 A 1 ATOM 360 N N . LYS A 0 48 . 6.487 12.044 -25.021 1.00 70.55 48 A 1 ATOM 361 C CA . LYS A 0 48 . 7.369 13.060 -25.615 1.00 70.55 48 A 1 ATOM 362 C C . LYS A 0 48 . 7.564 14.294 -24.727 1.00 70.55 48 A 1 ATOM 363 C CB . LYS A 0 48 . 6.866 13.429 -27.020 1.00 70.55 48 A 1 ATOM 364 O O . LYS A 0 48 . 8.234 15.235 -25.143 1.00 70.55 48 A 1 ATOM 365 C CG . LYS A 0 48 . 6.848 12.224 -27.975 1.00 70.55 48 A 1 ATOM 366 C CD . LYS A 0 48 . 6.476 12.665 -29.396 1.00 70.55 48 A 1 ATOM 367 C CE . LYS A 0 48 . 6.427 11.450 -30.330 1.00 70.55 48 A 1 ATOM 368 N NZ . LYS A 0 48 . 6.111 11.841 -31.729 1.00 70.55 48 A 1 ATOM 369 N N . ARG A 0 49 . 6.973 14.330 -23.525 1.00 69.90 49 A 1 ATOM 370 C CA . ARG A 0 49 . 7.100 15.471 -22.606 1.00 69.90 49 A 1 ATOM 371 C C . ARG A 0 49 . 8.238 15.215 -21.624 1.00 69.90 49 A 1 ATOM 372 C CB . ARG A 0 49 . 5.771 15.764 -21.886 1.00 69.90 49 A 1 ATOM 373 O O . ARG A 0 49 . 8.243 14.204 -20.929 1.00 69.90 49 A 1 ATOM 374 C CG . ARG A 0 49 . 4.715 16.347 -22.840 1.00 69.90 49 A 1 ATOM 375 C CD . ARG A 0 49 . 3.464 16.790 -22.069 1.00 69.90 49 A 1 ATOM 376 N NE . ARG A 0 49 . 2.438 17.348 -22.973 1.00 69.90 49 A 1 ATOM 377 N NH1 . ARG A 0 49 . 1.175 18.437 -21.386 1.00 69.90 49 A 1 ATOM 378 N NH2 . ARG A 0 49 . 0.558 18.515 -23.525 1.00 69.90 49 A 1 ATOM 379 C CZ . ARG A 0 49 . 1.401 18.093 -22.624 1.00 69.90 49 A 1 ATOM 380 N N . LYS A 0 50 . 9.185 16.153 -21.542 1.00 67.68 50 A 1 ATOM 381 C CA . LYS A 0 50 . 10.187 16.175 -20.470 1.00 67.68 50 A 1 ATOM 382 C C . LYS A 0 50 . 9.479 16.572 -19.177 1.00 67.68 50 A 1 ATOM 383 C CB . LYS A 0 50 . 11.330 17.152 -20.795 1.00 67.68 50 A 1 ATOM 384 O O . LYS A 0 50 . 9.216 17.749 -18.964 1.00 67.68 50 A 1 ATOM 385 C CG . LYS A 0 50 . 12.228 16.673 -21.945 1.00 67.68 50 A 1 ATOM 386 C CD . LYS A 0 50 . 13.402 17.645 -22.137 1.00 67.68 50 A 1 ATOM 387 C CE . LYS A 0 50 . 14.311 17.185 -23.283 1.00 67.68 50 A 1 ATOM 388 N NZ . LYS A 0 50 . 15.458 18.110 -23.476 1.00 67.68 50 A 1 ATOM 389 N N . VAL A 0 51 . 9.129 15.590 -18.357 1.00 67.79 51 A 1 ATOM 390 C CA . VAL A 0 51 . 8.684 15.841 -16.984 1.00 67.79 51 A 1 ATOM 391 C C . VAL A 0 51 . 9.942 15.972 -16.116 1.00 67.79 51 A 1 ATOM 392 C CB . VAL A 0 51 . 7.748 14.734 -16.477 1.00 67.79 51 A 1 ATOM 393 O O . VAL A 0 51 . 10.798 15.085 -16.196 1.00 67.79 51 A 1 ATOM 394 C CG1 . VAL A 0 51 . 7.236 15.060 -15.074 1.00 67.79 51 A 1 ATOM 395 C CG2 . VAL A 0 51 . 6.529 14.574 -17.400 1.00 67.79 51 A 1 ATOM 396 N N . PRO A 0 52 . 10.106 17.055 -15.336 1.00 71.62 52 A 1 ATOM 397 C CA . PRO A 0 52 . 11.217 17.203 -14.401 1.00 71.62 52 A 1 ATOM 398 C C . PRO A 0 52 . 11.307 16.009 -13.445 1.00 71.62 52 A 1 ATOM 399 C CB . PRO A 0 52 . 10.964 18.511 -13.642 1.00 71.62 52 A 1 ATOM 400 O O . PRO A 0 52 . 10.293 15.451 -13.024 1.00 71.62 52 A 1 ATOM 401 C CG . PRO A 0 52 . 10.073 19.304 -14.591 1.00 71.62 52 A 1 ATOM 402 C CD . PRO A 0 52 . 9.244 18.223 -15.276 1.00 71.62 52 A 1 ATOM 403 N N . ALA A 0 53 . 12.524 15.601 -13.086 1.00 67.57 53 A 1 ATOM 404 C CA . ALA A 0 53 . 12.711 14.517 -12.127 1.00 67.57 53 A 1 ATOM 405 C C . ALA A 0 53 . 12.067 14.896 -10.781 1.00 67.57 53 A 1 ATOM 406 C CB . ALA A 0 53 . 14.206 14.204 -11.996 1.00 67.57 53 A 1 ATOM 407 O O . ALA A 0 53 . 12.401 15.921 -10.195 1.00 67.57 53 A 1 ATOM 408 N N . GLY A 0 54 . 11.131 14.073 -10.307 1.00 71.44 54 A 1 ATOM 409 C CA . GLY A 0 54 . 10.382 14.318 -9.069 1.00 71.44 54 A 1 ATOM 410 C C . GLY A 0 54 . 9.035 15.019 -9.262 1.00 71.44 54 A 1 ATOM 411 O O . GLY A 0 54 . 8.215 14.986 -8.344 1.00 71.44 54 A 1 ATOM 412 N N . GLU A 0 55 . 8.757 15.567 -10.447 1.00 68.04 55 A 1 ATOM 413 C CA . GLU A 0 55 . 7.410 16.005 -10.803 1.00 68.04 55 A 1 ATOM 414 C C . GLU A 0 55 . 6.560 14.827 -11.275 1.00 68.04 55 A 1 ATOM 415 C CB . GLU A 0 55 . 7.412 17.154 -11.820 1.00 68.04 55 A 1 ATOM 416 O O . GLU A 0 55 . 7.001 13.902 -11.962 1.00 68.04 55 A 1 ATOM 417 C CG . GLU A 0 55 . 7.231 18.499 -11.101 1.00 68.04 55 A 1 ATOM 418 C CD . GLU A 0 55 . 7.223 19.701 -12.055 1.00 68.04 55 A 1 ATOM 419 O OE1 . GLU A 0 55 . 7.308 20.835 -11.541 1.00 68.04 55 A 1 ATOM 420 O OE2 . GLU A 0 55 . 7.131 19.484 -13.285 1.00 68.04 55 A 1 ATOM 421 N N . ASP A 0 56 . 5.303 14.864 -10.865 1.00 68.30 56 A 1 ATOM 422 C CA . ASP A 0 56 . 4.314 13.863 -11.188 1.00 68.30 56 A 1 ATOM 423 C C . ASP A 0 56 . 3.217 14.540 -12.003 1.00 68.30 56 A 1 ATOM 424 C CB . ASP A 0 56 . 3.815 13.279 -9.882 1.00 68.30 56 A 1 ATOM 425 O O . ASP A 0 56 . 2.445 15.323 -11.449 1.00 68.30 56 A 1 ATOM 426 C CG . ASP A 0 56 . 2.648 12.334 -10.054 1.00 68.30 56 A 1 ATOM 427 O OD1 . ASP A 0 56 . 2.324 11.866 -11.173 1.00 68.30 56 A 1 ATOM 428 O OD2 . ASP A 0 56 . 2.116 12.000 -8.975 1.00 68.30 56 A 1 ATOM 429 N N . PRO A 0 57 . 3.122 14.253 -13.309 1.00 64.08 57 A 1 ATOM 430 C CA . PRO A 0 57 . 2.229 14.980 -14.202 1.00 64.08 57 A 1 ATOM 431 C C . PRO A 0 57 . 0.744 14.700 -13.926 1.00 64.08 57 A 1 ATOM 432 C CB . PRO A 0 57 . 2.658 14.543 -15.600 1.00 64.08 57 A 1 ATOM 433 O O . PRO A 0 57 . -0.118 15.293 -14.569 1.00 64.08 57 A 1 ATOM 434 C CG . PRO A 0 57 . 3.212 13.135 -15.404 1.00 64.08 57 A 1 ATOM 435 C CD . PRO A 0 57 . 3.814 13.182 -14.006 1.00 64.08 57 A 1 ATOM 436 N N . TRP A 0 58 . 0.453 13.785 -12.997 1.00 65.98 58 A 1 ATOM 437 C CA . TRP A 0 58 . -0.884 13.390 -12.563 1.00 65.98 58 A 1 ATOM 438 C C . TRP A 0 58 . -1.239 13.905 -11.165 1.00 65.98 58 A 1 ATOM 439 C CB . TRP A 0 58 . -0.957 11.865 -12.602 1.00 65.98 58 A 1 ATOM 440 O O . TRP A 0 58 . -2.302 13.571 -10.641 1.00 65.98 58 A 1 ATOM 441 C CG . TRP A 0 58 . -0.563 11.267 -13.911 1.00 65.98 58 A 1 ATOM 442 C CD1 . TRP A 0 58 . 0.607 10.648 -14.180 1.00 65.98 58 A 1 ATOM 443 C CD2 . TRP A 0 58 . -1.320 11.274 -15.153 1.00 65.98 58 A 1 ATOM 444 C CE2 . TRP A 0 58 . -0.570 10.565 -16.135 1.00 65.98 58 A 1 ATOM 445 C CE3 . TRP A 0 58 . -2.572 11.797 -15.540 1.00 65.98 58 A 1 ATOM 446 N NE1 . TRP A 0 58 . 0.606 10.225 -15.497 1.00 65.98 58 A 1 ATOM 447 C CH2 . TRP A 0 58 . -2.341 10.818 -17.763 1.00 65.98 58 A 1 ATOM 448 C CZ2 . TRP A 0 58 . -1.068 10.326 -17.424 1.00 65.98 58 A 1 ATOM 449 C CZ3 . TRP A 0 58 . -3.076 11.575 -16.834 1.00 65.98 58 A 1 ATOM 450 N N . LYS A 0 59 . -0.343 14.667 -10.535 1.00 63.01 59 A 1 ATOM 451 C CA . LYS A 0 59 . -0.578 15.304 -9.243 1.00 63.01 59 A 1 ATOM 452 C C . LYS A 0 59 . -1.131 16.709 -9.497 1.00 63.01 59 A 1 ATOM 453 C CB . LYS A 0 59 . 0.735 15.270 -8.451 1.00 63.01 59 A 1 ATOM 454 O O . LYS A 0 59 . -0.358 17.648 -9.655 1.00 63.01 59 A 1 ATOM 455 C CG . LYS A 0 59 . 0.530 15.537 -6.959 1.00 63.01 59 A 1 ATOM 456 C CD . LYS A 0 59 . 1.880 15.444 -6.244 1.00 63.01 59 A 1 ATOM 457 C CE . LYS A 0 59 . 1.693 15.683 -4.746 1.00 63.01 59 A 1 ATOM 458 N NZ . LYS A 0 59 . 3.004 15.798 -4.065 1.00 63.01 59 A 1 ATOM 459 N N . TYR A 0 60 . -2.455 16.807 -9.608 1.00 55.97 60 A 1 ATOM 460 C CA . TYR A 0 60 . -3.177 18.080 -9.506 1.00 55.97 60 A 1 ATOM 461 C C . TYR A 0 60 . -3.267 18.527 -8.045 1.00 55.97 60 A 1 ATOM 462 C CB . TYR A 0 60 . -4.568 17.971 -10.145 1.00 55.97 60 A 1 ATOM 463 O O . TYR A 0 60 . -3.285 17.634 -7.161 1.00 55.97 60 A 1 ATOM 464 C CG . TYR A 0 60 . -4.562 17.594 -11.614 1.00 55.97 60 A 1 ATOM 465 C CD1 . TYR A 0 60 . -4.269 18.567 -12.588 1.00 55.97 60 A 1 ATOM 466 C CD2 . TYR A 0 60 . -4.844 16.271 -12.003 1.00 55.97 60 A 1 ATOM 467 C CE1 . TYR A 0 60 . -4.265 18.222 -13.954 1.00 55.97 60 A 1 ATOM 468 C CE2 . TYR A 0 60 . -4.842 15.920 -13.367 1.00 55.97 60 A 1 ATOM 469 O OH . TYR A 0 60 . -4.553 16.555 -15.658 1.00 55.97 60 A 1 ATOM 470 C CZ . TYR A 0 60 . -4.552 16.895 -14.342 1.00 55.97 60 A 1 ATOM 471 O OXT . TYR A 0 60 . -3.306 19.757 -7.855 1.00 55.97 60 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 75.44 # loop_ _atom_type.symbol C N O S #