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 CYS 0 3 LYS 0 4 GLU 0 5 GLN 0 6 SER 0 7 SER 0 8 ILE 0 9 LEU 0 10 MET 0 11 ASP 0 12 PHE 0 13 CYS 0 14 GLN 0 15 LYS 0 16 SER 0 17 ILE 0 18 PHE 0 19 HIS 0 20 LYS 0 21 LEU 0 22 LYS 0 23 SER 0 24 SER 0 25 GLY 0 26 TRP 0 27 ASP 0 28 TYR 0 29 ILE 0 30 LYS 0 31 TRP 0 32 TYR 0 33 ALA 0 34 ASP 0 35 SER 0 36 ALA 0 37 LYS 0 38 LEU 0 39 VAL 0 40 PRO 0 41 GLY 0 42 CYS 0 43 THR 0 44 ASN 0 45 PRO 0 46 LEU 0 47 ILE 0 48 LEU 0 49 ALA 0 50 ALA 0 51 LYS 0 52 GLN 0 53 TYR 0 54 SER 0 55 ASN 0 56 VAL 0 57 ASP 0 58 VAL 0 59 VAL 0 60 LYS 0 61 LEU 0 62 LYS 0 63 VAL 0 64 ALA 0 65 VAL 0 66 VAL 0 67 LEU 0 68 MET 0 69 ILE 0 70 PRO 0 71 LEU 0 72 ILE 0 73 ASP 0 74 PHE 0 75 SER 0 76 LYS 0 77 LYS 0 78 ASN 0 79 VAL 0 80 ASP 0 81 ILE 0 82 LEU 0 83 SER 0 84 LEU 0 85 HIS 0 86 SER 0 87 MET 0 88 ILE 0 89 GLU 0 90 THR 0 91 VAL 0 92 GLU 0 93 GLN 0 94 ASN 0 95 ARG 0 96 VAL 0 97 GLY 0 98 PHE 0 99 LEU 0 100 GLU 0 101 GLU 0 102 VAL 0 103 PHE 0 104 HIS 0 105 GLU 0 106 TYR 0 107 LYS 0 108 SER 0 109 SER 0 110 PRO 0 111 ASN 0 112 PHE 0 113 ASP 0 114 ILE 0 115 TYR 0 116 ASP 0 117 SER 0 118 LYS 0 119 THR 0 120 THR 0 121 SER 0 122 PHE 0 123 SER 0 124 VAL 0 125 LYS 0 126 LEU 0 127 GLY 0 128 CYS 0 129 TYR 0 130 GLU 0 131 ASN 0 132 ASP 0 133 GLY 0 134 MET 0 135 PHE 0 136 MET 0 137 LEU 0 138 ILE 0 139 ASN 0 140 ALA 0 141 ALA 0 142 SER 0 143 GLY 0 144 LEU 0 145 SER 0 146 SER 0 147 ASP 0 148 LEU 0 149 SER # 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 . 31.870 5.546 -3.468 1.00 41.19 1 A 1 ATOM 2 C CA . MET A 0 1 . 31.238 6.752 -2.882 1.00 41.19 1 A 1 ATOM 3 C C . MET A 0 1 . 29.760 6.929 -3.300 1.00 41.19 1 A 1 ATOM 4 C CB . MET A 0 1 . 32.080 8.003 -3.226 1.00 41.19 1 A 1 ATOM 5 O O . MET A 0 1 . 29.287 8.050 -3.311 1.00 41.19 1 A 1 ATOM 6 C CG . MET A 0 1 . 33.355 8.113 -2.386 1.00 41.19 1 A 1 ATOM 7 S SD . MET A 0 1 . 34.413 9.499 -2.876 1.00 41.19 1 A 1 ATOM 8 C CE . MET A 0 1 . 33.894 10.797 -1.714 1.00 41.19 1 A 1 ATOM 9 N N . CYS A 0 2 . 28.978 5.868 -3.582 1.00 48.21 2 A 1 ATOM 10 C CA . CYS A 0 2 . 27.592 6.021 -4.092 1.00 48.21 2 A 1 ATOM 11 C C . CYS A 0 2 . 26.454 5.813 -3.074 1.00 48.21 2 A 1 ATOM 12 C CB . CYS A 0 2 . 27.379 5.085 -5.291 1.00 48.21 2 A 1 ATOM 13 O O . CYS A 0 2 . 25.306 6.089 -3.408 1.00 48.21 2 A 1 ATOM 14 S SG . CYS A 0 2 . 28.216 5.753 -6.747 1.00 48.21 2 A 1 ATOM 15 N N . LYS A 0 3 . 26.718 5.315 -1.857 1.00 43.95 3 A 1 ATOM 16 C CA . LYS A 0 3 . 25.628 4.953 -0.928 1.00 43.95 3 A 1 ATOM 17 C C . LYS A 0 3 . 24.876 6.172 -0.381 1.00 43.95 3 A 1 ATOM 18 C CB . LYS A 0 3 . 26.138 4.052 0.210 1.00 43.95 3 A 1 ATOM 19 O O . LYS A 0 3 . 23.656 6.146 -0.321 1.00 43.95 3 A 1 ATOM 20 C CG . LYS A 0 3 . 26.336 2.595 -0.240 1.00 43.95 3 A 1 ATOM 21 C CD . LYS A 0 3 . 26.661 1.687 0.957 1.00 43.95 3 A 1 ATOM 22 C CE . LYS A 0 3 . 26.728 0.214 0.526 1.00 43.95 3 A 1 ATOM 23 N NZ . LYS A 0 3 . 26.966 -0.695 1.678 1.00 43.95 3 A 1 ATOM 24 N N . GLU A 0 4 . 25.596 7.234 -0.035 1.00 45.39 4 A 1 ATOM 25 C CA . GLU A 0 4 . 25.041 8.389 0.687 1.00 45.39 4 A 1 ATOM 26 C C . GLU A 0 4 . 24.155 9.277 -0.202 1.00 45.39 4 A 1 ATOM 27 C CB . GLU A 0 4 . 26.236 9.155 1.269 1.00 45.39 4 A 1 ATOM 28 O O . GLU A 0 4 . 23.079 9.706 0.203 1.00 45.39 4 A 1 ATOM 29 C CG . GLU A 0 4 . 25.948 9.850 2.603 1.00 45.39 4 A 1 ATOM 30 C CD . GLU A 0 4 . 27.252 10.315 3.276 1.00 45.39 4 A 1 ATOM 31 O OE1 . GLU A 0 4 . 27.216 10.540 4.503 1.00 45.39 4 A 1 ATOM 32 O OE2 . GLU A 0 4 . 28.285 10.389 2.565 1.00 45.39 4 A 1 ATOM 33 N N . GLN A 0 5 . 24.544 9.477 -1.466 1.00 45.05 5 A 1 ATOM 34 C CA . GLN A 0 5 . 23.688 10.166 -2.437 1.00 45.05 5 A 1 ATOM 35 C C . GLN A 0 5 . 22.416 9.363 -2.733 1.00 45.05 5 A 1 ATOM 36 C CB . GLN A 0 5 . 24.463 10.433 -3.733 1.00 45.05 5 A 1 ATOM 37 O O . GLN A 0 5 . 21.337 9.941 -2.822 1.00 45.05 5 A 1 ATOM 38 C CG . GLN A 0 5 . 25.485 11.566 -3.566 1.00 45.05 5 A 1 ATOM 39 C CD . GLN A 0 5 . 26.244 11.862 -4.857 1.00 45.05 5 A 1 ATOM 40 N NE2 . GLN A 0 5 . 26.897 12.998 -4.952 1.00 45.05 5 A 1 ATOM 41 O OE1 . GLN A 0 5 . 26.290 11.077 -5.790 1.00 45.05 5 A 1 ATOM 42 N N . SER A 0 6 . 22.525 8.032 -2.833 1.00 52.21 6 A 1 ATOM 43 C CA . SER A 0 6 . 21.366 7.169 -3.073 1.00 52.21 6 A 1 ATOM 44 C C . SER A 0 6 . 20.376 7.179 -1.907 1.00 52.21 6 A 1 ATOM 45 C CB . SER A 0 6 . 21.818 5.735 -3.349 1.00 52.21 6 A 1 ATOM 46 O O . SER A 0 6 . 19.175 7.126 -2.161 1.00 52.21 6 A 1 ATOM 47 O OG . SER A 0 6 . 20.728 4.957 -3.801 1.00 52.21 6 A 1 ATOM 48 N N . SER A 0 7 . 20.842 7.252 -0.653 1.00 55.01 7 A 1 ATOM 49 C CA . SER A 0 7 . 19.952 7.325 0.513 1.00 55.01 7 A 1 ATOM 50 C C . SER A 0 7 . 19.234 8.668 0.599 1.00 55.01 7 A 1 ATOM 51 C CB . SER A 0 7 . 20.695 7.016 1.818 1.00 55.01 7 A 1 ATOM 52 O O . SER A 0 7 . 18.019 8.684 0.750 1.00 55.01 7 A 1 ATOM 53 O OG . SER A 0 7 . 21.805 7.865 2.027 1.00 55.01 7 A 1 ATOM 54 N N . ILE A 0 8 . 19.947 9.786 0.410 1.00 56.22 8 A 1 ATOM 55 C CA . ILE A 0 8 . 19.338 11.129 0.429 1.00 56.22 8 A 1 ATOM 56 C C . ILE A 0 8 . 18.268 11.257 -0.662 1.00 56.22 8 A 1 ATOM 57 C CB . ILE A 0 8 . 20.430 12.213 0.268 1.00 56.22 8 A 1 ATOM 58 O O . ILE A 0 8 . 17.198 11.819 -0.429 1.00 56.22 8 A 1 ATOM 59 C CG1 . ILE A 0 8 . 21.363 12.227 1.501 1.00 56.22 8 A 1 ATOM 60 C CG2 . ILE A 0 8 . 19.810 13.612 0.069 1.00 56.22 8 A 1 ATOM 61 C CD1 . ILE A 0 8 . 22.654 13.029 1.287 1.00 56.22 8 A 1 ATOM 62 N N . LEU A 0 9 . 18.543 10.716 -1.852 1.00 56.12 9 A 1 ATOM 63 C CA . LEU A 0 9 . 17.596 10.734 -2.960 1.00 56.12 9 A 1 ATOM 64 C C . LEU A 0 9 . 16.346 9.905 -2.655 1.00 56.12 9 A 1 ATOM 65 C CB . LEU A 0 9 . 18.301 10.206 -4.215 1.00 56.12 9 A 1 ATOM 66 O O . LEU A 0 9 . 15.233 10.374 -2.887 1.00 56.12 9 A 1 ATOM 67 C CG . LEU A 0 9 . 17.593 10.632 -5.507 1.00 56.12 9 A 1 ATOM 68 C CD1 . LEU A 0 9 . 17.767 12.144 -5.698 1.00 56.12 9 A 1 ATOM 69 C CD2 . LEU A 0 9 . 18.231 9.874 -6.668 1.00 56.12 9 A 1 ATOM 70 N N . MET A 0 10 . 16.521 8.699 -2.099 1.00 61.49 10 A 1 ATOM 71 C CA . MET A 0 10 . 15.402 7.860 -1.665 1.00 61.49 10 A 1 ATOM 72 C C . MET A 0 10 . 14.570 8.550 -0.582 1.00 61.49 10 A 1 ATOM 73 C CB . MET A 0 10 . 15.891 6.484 -1.186 1.00 61.49 10 A 1 ATOM 74 O O . MET A 0 10 . 13.346 8.556 -0.690 1.00 61.49 10 A 1 ATOM 75 C CG . MET A 0 10 . 16.179 5.554 -2.370 1.00 61.49 10 A 1 ATOM 76 S SD . MET A 0 10 . 16.310 3.795 -1.942 1.00 61.49 10 A 1 ATOM 77 C CE . MET A 0 10 . 18.042 3.684 -1.434 1.00 61.49 10 A 1 ATOM 78 N N . ASP A 0 11 . 15.209 9.213 0.384 1.00 68.13 11 A 1 ATOM 79 C CA . ASP A 0 11 . 14.516 9.979 1.424 1.00 68.13 11 A 1 ATOM 80 C C . ASP A 0 11 . 13.699 11.137 0.830 1.00 68.13 11 A 1 ATOM 81 C CB . ASP A 0 11 . 15.529 10.547 2.434 1.00 68.13 11 A 1 ATOM 82 O O . ASP A 0 11 . 12.572 11.397 1.262 1.00 68.13 11 A 1 ATOM 83 C CG . ASP A 0 11 . 16.137 9.524 3.398 1.00 68.13 11 A 1 ATOM 84 O OD1 . ASP A 0 11 . 15.620 8.390 3.482 1.00 68.13 11 A 1 ATOM 85 O OD2 . ASP A 0 11 . 17.082 9.935 4.108 1.00 68.13 11 A 1 ATOM 86 N N . PHE A 0 12 . 14.235 11.840 -0.175 1.00 68.78 12 A 1 ATOM 87 C CA . PHE A 0 12 . 13.513 12.916 -0.858 1.00 68.78 12 A 1 ATOM 88 C C . PHE A 0 12 . 12.318 12.384 -1.660 1.00 68.78 12 A 1 ATOM 89 C CB . PHE A 0 12 . 14.471 13.716 -1.747 1.00 68.78 12 A 1 ATOM 90 O O . PHE A 0 12 . 11.205 12.903 -1.530 1.00 68.78 12 A 1 ATOM 91 C CG . PHE A 0 12 . 13.809 14.938 -2.354 1.00 68.78 12 A 1 ATOM 92 C CD1 . PHE A 0 12 . 13.248 14.879 -3.645 1.00 68.78 12 A 1 ATOM 93 C CD2 . PHE A 0 12 . 13.717 16.128 -1.607 1.00 68.78 12 A 1 ATOM 94 C CE1 . PHE A 0 12 . 12.599 16.005 -4.181 1.00 68.78 12 A 1 ATOM 95 C CE2 . PHE A 0 12 . 13.069 17.254 -2.146 1.00 68.78 12 A 1 ATOM 96 C CZ . PHE A 0 12 . 12.509 17.191 -3.434 1.00 68.78 12 A 1 ATOM 97 N N . CYS A 0 13 . 12.518 11.311 -2.432 1.00 69.69 13 A 1 ATOM 98 C CA . CYS A 0 13 . 11.452 10.651 -3.188 1.00 69.69 13 A 1 ATOM 99 C C . CYS A 0 13 . 10.341 10.160 -2.253 1.00 69.69 13 A 1 ATOM 100 C CB . CYS A 0 13 . 12.033 9.474 -3.985 1.00 69.69 13 A 1 ATOM 101 O O . CYS A 0 13 . 9.165 10.445 -2.479 1.00 69.69 13 A 1 ATOM 102 S SG . CYS A 0 13 . 13.194 10.050 -5.252 1.00 69.69 13 A 1 ATOM 103 N N . GLN A 0 14 . 10.712 9.492 -1.157 1.00 74.96 14 A 1 ATOM 104 C CA . GLN A 0 14 . 9.781 9.012 -0.142 1.00 74.96 14 A 1 ATOM 105 C C . GLN A 0 14 . 8.962 10.164 0.449 1.00 74.96 14 A 1 ATOM 106 C CB . GLN A 0 14 . 10.572 8.267 0.944 1.00 74.96 14 A 1 ATOM 107 O O . GLN A 0 14 . 7.739 10.056 0.534 1.00 74.96 14 A 1 ATOM 108 C CG . GLN A 0 14 . 9.670 7.756 2.077 1.00 74.96 14 A 1 ATOM 109 C CD . GLN A 0 14 . 10.443 7.028 3.170 1.00 74.96 14 A 1 ATOM 110 N NE2 . GLN A 0 14 . 9.836 6.793 4.311 1.00 74.96 14 A 1 ATOM 111 O OE1 . GLN A 0 14 . 11.597 6.667 3.051 1.00 74.96 14 A 1 ATOM 112 N N . LYS A 0 15 . 9.603 11.283 0.820 1.00 78.27 15 A 1 ATOM 113 C CA . LYS A 0 15 . 8.904 12.469 1.346 1.00 78.27 15 A 1 ATOM 114 C C . LYS A 0 15 . 7.914 13.050 0.337 1.00 78.27 15 A 1 ATOM 115 C CB . LYS A 0 15 . 9.920 13.540 1.766 1.00 78.27 15 A 1 ATOM 116 O O . LYS A 0 15 . 6.776 13.334 0.709 1.00 78.27 15 A 1 ATOM 117 C CG . LYS A 0 15 . 10.579 13.215 3.111 1.00 78.27 15 A 1 ATOM 118 C CD . LYS A 0 15 . 11.682 14.234 3.416 1.00 78.27 15 A 1 ATOM 119 C CE . LYS A 0 15 . 12.380 13.860 4.726 1.00 78.27 15 A 1 ATOM 120 N NZ . LYS A 0 15 . 13.512 14.771 5.020 1.00 78.27 15 A 1 ATOM 121 N N . SER A 0 16 . 8.321 13.193 -0.925 1.00 78.32 16 A 1 ATOM 122 C CA . SER A 0 16 . 7.463 13.691 -2.010 1.00 78.32 16 A 1 ATOM 123 C C . SER A 0 16 . 6.231 12.801 -2.208 1.00 78.32 16 A 1 ATOM 124 C CB . SER A 0 16 . 8.284 13.769 -3.304 1.00 78.32 16 A 1 ATOM 125 O O . SER A 0 16 . 5.098 13.291 -2.228 1.00 78.32 16 A 1 ATOM 126 O OG . SER A 0 16 . 7.490 14.134 -4.418 1.00 78.32 16 A 1 ATOM 127 N N . ILE A 0 17 . 6.427 11.480 -2.276 1.00 79.65 17 A 1 ATOM 128 C CA . ILE A 0 17 . 5.330 10.523 -2.453 1.00 79.65 17 A 1 ATOM 129 C C . ILE A 0 17 . 4.401 10.526 -1.239 1.00 79.65 17 A 1 ATOM 130 C CB . ILE A 0 17 . 5.870 9.107 -2.737 1.00 79.65 17 A 1 ATOM 131 O O . ILE A 0 17 . 3.182 10.586 -1.398 1.00 79.65 17 A 1 ATOM 132 C CG1 . ILE A 0 17 . 6.667 9.064 -4.056 1.00 79.65 17 A 1 ATOM 133 C CG2 . ILE A 0 17 . 4.674 8.144 -2.845 1.00 79.65 17 A 1 ATOM 134 C CD1 . ILE A 0 17 . 7.581 7.839 -4.168 1.00 79.65 17 A 1 ATOM 135 N N . PHE A 0 18 . 4.962 10.519 -0.028 1.00 82.06 18 A 1 ATOM 136 C CA . PHE A 0 18 . 4.187 10.581 1.207 1.00 82.06 18 A 1 ATOM 137 C C . PHE A 0 18 . 3.307 11.833 1.243 1.00 82.06 18 A 1 ATOM 138 C CB . PHE A 0 18 . 5.143 10.540 2.403 1.00 82.06 18 A 1 ATOM 139 O O . PHE A 0 18 . 2.111 11.737 1.508 1.00 82.06 18 A 1 ATOM 140 C CG . PHE A 0 18 . 4.446 10.362 3.734 1.00 82.06 18 A 1 ATOM 141 C CD1 . PHE A 0 18 . 3.905 11.468 4.418 1.00 82.06 18 A 1 ATOM 142 C CD2 . PHE A 0 18 . 4.357 9.079 4.301 1.00 82.06 18 A 1 ATOM 143 C CE1 . PHE A 0 18 . 3.280 11.288 5.665 1.00 82.06 18 A 1 ATOM 144 C CE2 . PHE A 0 18 . 3.746 8.905 5.552 1.00 82.06 18 A 1 ATOM 145 C CZ . PHE A 0 18 . 3.198 10.004 6.231 1.00 82.06 18 A 1 ATOM 146 N N . HIS A 0 19 . 3.872 12.998 0.910 1.00 81.41 19 A 1 ATOM 147 C CA . HIS A 0 19 . 3.127 14.253 0.848 1.00 81.41 19 A 1 ATOM 148 C C . HIS A 0 19 . 1.988 14.194 -0.181 1.00 81.41 19 A 1 ATOM 149 C CB . HIS A 0 19 . 4.096 15.402 0.546 1.00 81.41 19 A 1 ATOM 150 O O . HIS A 0 19 . 0.861 14.560 0.142 1.00 81.41 19 A 1 ATOM 151 C CG . HIS A 0 19 . 3.406 16.740 0.522 1.00 81.41 19 A 1 ATOM 152 C CD2 . HIS A 0 19 . 3.251 17.597 1.578 1.00 81.41 19 A 1 ATOM 153 N ND1 . HIS A 0 19 . 2.758 17.303 -0.555 1.00 81.41 19 A 1 ATOM 154 C CE1 . HIS A 0 19 . 2.227 18.471 -0.156 1.00 81.41 19 A 1 ATOM 155 N NE2 . HIS A 0 19 . 2.507 18.693 1.136 1.00 81.41 19 A 1 ATOM 156 N N . LYS A 0 20 . 2.248 13.683 -1.393 1.00 82.33 20 A 1 ATOM 157 C CA . LYS A 0 20 . 1.222 13.531 -2.442 1.00 82.33 20 A 1 ATOM 158 C C . LYS A 0 20 . 0.091 12.584 -2.030 1.00 82.33 20 A 1 ATOM 159 C CB . LYS A 0 20 . 1.873 13.036 -3.743 1.00 82.33 20 A 1 ATOM 160 O O . LYS A 0 20 . -1.077 12.848 -2.316 1.00 82.33 20 A 1 ATOM 161 C CG . LYS A 0 20 . 2.653 14.138 -4.476 1.00 82.33 20 A 1 ATOM 162 C CD . LYS A 0 20 . 3.329 13.572 -5.734 1.00 82.33 20 A 1 ATOM 163 C CE . LYS A 0 20 . 4.063 14.680 -6.501 1.00 82.33 20 A 1 ATOM 164 N NZ . LYS A 0 20 . 4.791 14.152 -7.684 1.00 82.33 20 A 1 ATOM 165 N N . LEU A 0 21 . 0.410 11.481 -1.356 1.00 83.83 21 A 1 ATOM 166 C CA . LEU A 0 21 . -0.599 10.547 -0.851 1.00 83.83 21 A 1 ATOM 167 C C . LEU A 0 21 . -1.425 11.182 0.275 1.00 83.83 21 A 1 ATOM 168 C CB . LEU A 0 21 . 0.086 9.247 -0.404 1.00 83.83 21 A 1 ATOM 169 O O . LEU A 0 21 . -2.653 11.112 0.226 1.00 83.83 21 A 1 ATOM 170 C CG . LEU A 0 21 . 0.579 8.343 -1.545 1.00 83.83 21 A 1 ATOM 171 C CD1 . LEU A 0 21 . 1.351 7.170 -0.943 1.00 83.83 21 A 1 ATOM 172 C CD2 . LEU A 0 21 . -0.568 7.776 -2.385 1.00 83.83 21 A 1 ATOM 173 N N . LYS A 0 22 . -0.780 11.881 1.221 1.00 84.74 22 A 1 ATOM 174 C CA . LYS A 0 22 . -1.475 12.648 2.269 1.00 84.74 22 A 1 ATOM 175 C C . LYS A 0 22 . -2.429 13.679 1.668 1.00 84.74 22 A 1 ATOM 176 C CB . LYS A 0 22 . -0.472 13.357 3.204 1.00 84.74 22 A 1 ATOM 177 O O . LYS A 0 22 . -3.594 13.715 2.050 1.00 84.74 22 A 1 ATOM 178 C CG . LYS A 0 22 . 0.226 12.484 4.259 1.00 84.74 22 A 1 ATOM 179 C CD . LYS A 0 22 . -0.771 11.796 5.199 1.00 84.74 22 A 1 ATOM 180 C CE . LYS A 0 22 . -0.099 11.106 6.386 1.00 84.74 22 A 1 ATOM 181 N NZ . LYS A 0 22 . -1.106 10.580 7.335 1.00 84.74 22 A 1 ATOM 182 N N . SER A 0 23 . -1.975 14.470 0.694 1.00 82.89 23 A 1 ATOM 183 C CA . SER A 0 23 . -2.818 15.482 0.041 1.00 82.89 23 A 1 ATOM 184 C C . SER A 0 23 . -3.972 14.877 -0.763 1.00 82.89 23 A 1 ATOM 185 C CB . SER A 0 23 . -1.976 16.410 -0.843 1.00 82.89 23 A 1 ATOM 186 O O . SER A 0 23 . -4.982 15.538 -0.963 1.00 82.89 23 A 1 ATOM 187 O OG . SER A 0 23 . -1.418 15.736 -1.955 1.00 82.89 23 A 1 ATOM 188 N N . SER A 0 24 . -3.850 13.617 -1.192 1.00 81.58 24 A 1 ATOM 189 C CA . SER A 0 24 . -4.908 12.868 -1.892 1.00 81.58 24 A 1 ATOM 190 C C . SER A 0 24 . -5.891 12.165 -0.936 1.00 81.58 24 A 1 ATOM 191 C CB . SER A 0 24 . -4.295 11.863 -2.871 1.00 81.58 24 A 1 ATOM 192 O O . SER A 0 24 . -6.705 11.339 -1.364 1.00 81.58 24 A 1 ATOM 193 O OG . SER A 0 24 . -3.359 12.480 -3.734 1.00 81.58 24 A 1 ATOM 194 N N . GLY A 0 25 . -5.803 12.451 0.367 1.00 84.99 25 A 1 ATOM 195 C CA . GLY A 0 25 . -6.717 11.942 1.388 1.00 84.99 25 A 1 ATOM 196 C C . GLY A 0 25 . -6.386 10.546 1.912 1.00 84.99 25 A 1 ATOM 197 O O . GLY A 0 25 . -7.285 9.874 2.406 1.00 84.99 25 A 1 ATOM 198 N N . TRP A 0 26 . -5.139 10.082 1.780 1.00 89.03 26 A 1 ATOM 199 C CA . TRP A 0 26 . -4.682 8.875 2.476 1.00 89.03 26 A 1 ATOM 200 C C . TRP A 0 26 . -4.188 9.241 3.868 1.00 89.03 26 A 1 ATOM 201 C CB . TRP A 0 26 . -3.623 8.130 1.661 1.00 89.03 26 A 1 ATOM 202 O O . TRP A 0 26 . -3.247 10.014 4.009 1.00 89.03 26 A 1 ATOM 203 C CG . TRP A 0 26 . -4.148 7.617 0.360 1.00 89.03 26 A 1 ATOM 204 C CD1 . TRP A 0 26 . -4.261 8.335 -0.776 1.00 89.03 26 A 1 ATOM 205 C CD2 . TRP A 0 26 . -4.719 6.310 0.065 1.00 89.03 26 A 1 ATOM 206 C CE2 . TRP A 0 26 . -5.203 6.316 -1.274 1.00 89.03 26 A 1 ATOM 207 C CE3 . TRP A 0 26 . -4.889 5.124 0.799 1.00 89.03 26 A 1 ATOM 208 N NE1 . TRP A 0 26 . -4.902 7.585 -1.735 1.00 89.03 26 A 1 ATOM 209 C CH2 . TRP A 0 26 . -5.910 4.006 -1.112 1.00 89.03 26 A 1 ATOM 210 C CZ2 . TRP A 0 26 . -5.816 5.192 -1.856 1.00 89.03 26 A 1 ATOM 211 C CZ3 . TRP A 0 26 . -5.457 3.977 0.215 1.00 89.03 26 A 1 ATOM 212 N N . ASP A 0 27 . -4.815 8.710 4.905 1.00 85.99 27 A 1 ATOM 213 C CA . ASP A 0 27 . -4.520 9.008 6.304 1.00 85.99 27 A 1 ATOM 214 C C . ASP A 0 27 . -3.514 8.021 6.903 1.00 85.99 27 A 1 ATOM 215 C CB . ASP A 0 27 . -5.813 9.138 7.130 1.00 85.99 27 A 1 ATOM 216 O O . ASP A 0 27 . -2.621 8.463 7.626 1.00 85.99 27 A 1 ATOM 217 C CG . ASP A 0 27 . -6.785 7.971 6.966 1.00 85.99 27 A 1 ATOM 218 O OD1 . ASP A 0 27 . -7.045 7.593 5.811 1.00 85.99 27 A 1 ATOM 219 O OD2 . ASP A 0 27 . -7.283 7.429 7.968 1.00 85.99 27 A 1 ATOM 220 N N . TYR A 0 28 . -3.521 6.749 6.507 1.00 90.86 28 A 1 ATOM 221 C CA . TYR A 0 28 . -2.444 5.817 6.842 1.00 90.86 28 A 1 ATOM 222 C C . TYR A 0 28 . -1.493 5.643 5.660 1.00 90.86 28 A 1 ATOM 223 C CB . TYR A 0 28 . -3.031 4.484 7.280 1.00 90.86 28 A 1 ATOM 224 O O . TYR A 0 28 . -1.918 5.309 4.554 1.00 90.86 28 A 1 ATOM 225 C CG . TYR A 0 28 . -1.973 3.469 7.663 1.00 90.86 28 A 1 ATOM 226 C CD1 . TYR A 0 28 . -1.476 2.561 6.707 1.00 90.86 28 A 1 ATOM 227 C CD2 . TYR A 0 28 . -1.477 3.445 8.979 1.00 90.86 28 A 1 ATOM 228 C CE1 . TYR A 0 28 . -0.507 1.611 7.082 1.00 90.86 28 A 1 ATOM 229 C CE2 . TYR A 0 28 . -0.544 2.468 9.366 1.00 90.86 28 A 1 ATOM 230 O OH . TYR A 0 28 . 0.791 0.561 8.803 1.00 90.86 28 A 1 ATOM 231 C CZ . TYR A 0 28 . -0.067 1.541 8.418 1.00 90.86 28 A 1 ATOM 232 N N . ILE A 0 29 . -0.195 5.863 5.880 1.00 90.56 29 A 1 ATOM 233 C CA . ILE A 0 29 . 0.850 5.646 4.873 1.00 90.56 29 A 1 ATOM 234 C C . ILE A 0 29 . 2.094 5.115 5.583 1.00 90.56 29 A 1 ATOM 235 C CB . ILE A 0 29 . 1.188 6.939 4.095 1.00 90.56 29 A 1 ATOM 236 O O . ILE A 0 29 . 2.615 5.763 6.492 1.00 90.56 29 A 1 ATOM 237 C CG1 . ILE A 0 29 . -0.035 7.610 3.431 1.00 90.56 29 A 1 ATOM 238 C CG2 . ILE A 0 29 . 2.259 6.639 3.023 1.00 90.56 29 A 1 ATOM 239 C CD1 . ILE A 0 29 . 0.251 9.063 3.067 1.00 90.56 29 A 1 ATOM 240 N N . LYS A 0 30 . 2.607 3.973 5.132 1.00 90.63 30 A 1 ATOM 241 C CA . LYS A 0 30 . 3.845 3.372 5.624 1.00 90.63 30 A 1 ATOM 242 C C . LYS A 0 30 . 4.710 2.933 4.449 1.00 90.63 30 A 1 ATOM 243 C CB . LYS A 0 30 . 3.487 2.238 6.593 1.00 90.63 30 A 1 ATOM 244 O O . LYS A 0 30 . 4.240 2.281 3.521 1.00 90.63 30 A 1 ATOM 245 C CG . LYS A 0 30 . 4.697 1.715 7.383 1.00 90.63 30 A 1 ATOM 246 C CD . LYS A 0 30 . 4.201 0.853 8.554 1.00 90.63 30 A 1 ATOM 247 C CE . LYS A 0 30 . 5.315 -0.004 9.177 1.00 90.63 30 A 1 ATOM 248 N NZ . LYS A 0 30 . 4.767 -1.279 9.721 1.00 90.63 30 A 1 ATOM 249 N N . TRP A 0 31 . 5.974 3.341 4.482 1.00 87.83 31 A 1 ATOM 250 C CA . TRP A 0 31 . 6.958 3.042 3.446 1.00 87.83 31 A 1 ATOM 251 C C . TRP A 0 31 . 7.881 1.919 3.903 1.00 87.83 31 A 1 ATOM 252 C CB . TRP A 0 31 . 7.761 4.304 3.123 1.00 87.83 31 A 1 ATOM 253 O O . TRP A 0 31 . 8.400 1.951 5.020 1.00 87.83 31 A 1 ATOM 254 C CG . TRP A 0 31 . 8.861 4.106 2.125 1.00 87.83 31 A 1 ATOM 255 C CD1 . TRP A 0 31 . 10.091 3.613 2.398 1.00 87.83 31 A 1 ATOM 256 C CD2 . TRP A 0 31 . 8.865 4.400 0.696 1.00 87.83 31 A 1 ATOM 257 C CE2 . TRP A 0 31 . 10.119 3.993 0.152 1.00 87.83 31 A 1 ATOM 258 C CE3 . TRP A 0 31 . 7.955 5.015 -0.187 1.00 87.83 31 A 1 ATOM 259 N NE1 . TRP A 0 31 . 10.833 3.540 1.237 1.00 87.83 31 A 1 ATOM 260 C CH2 . TRP A 0 31 . 9.486 4.706 -2.069 1.00 87.83 31 A 1 ATOM 261 C CZ2 . TRP A 0 31 . 10.432 4.130 -1.207 1.00 87.83 31 A 1 ATOM 262 C CZ3 . TRP A 0 31 . 8.262 5.163 -1.553 1.00 87.83 31 A 1 ATOM 263 N N . TYR A 0 32 . 8.142 0.978 3.004 1.00 88.17 32 A 1 ATOM 264 C CA . TYR A 0 32 . 9.076 -0.119 3.201 1.00 88.17 32 A 1 ATOM 265 C C . TYR A 0 32 . 10.151 -0.012 2.134 1.00 88.17 32 A 1 ATOM 266 C CB . TYR A 0 32 . 8.334 -1.455 3.126 1.00 88.17 32 A 1 ATOM 267 O O . TYR A 0 32 . 9.887 -0.256 0.961 1.00 88.17 32 A 1 ATOM 268 C CG . TYR A 0 32 . 7.251 -1.568 4.170 1.00 88.17 32 A 1 ATOM 269 C CD1 . TYR A 0 32 . 7.520 -2.176 5.410 1.00 88.17 32 A 1 ATOM 270 C CD2 . TYR A 0 32 . 5.990 -1.001 3.912 1.00 88.17 32 A 1 ATOM 271 C CE1 . TYR A 0 32 . 6.510 -2.228 6.388 1.00 88.17 32 A 1 ATOM 272 C CE2 . TYR A 0 32 . 4.969 -1.091 4.862 1.00 88.17 32 A 1 ATOM 273 O OH . TYR A 0 32 . 4.249 -1.754 6.999 1.00 88.17 32 A 1 ATOM 274 C CZ . TYR A 0 32 . 5.233 -1.708 6.090 1.00 88.17 32 A 1 ATOM 275 N N . ALA A 0 33 . 11.359 0.378 2.543 1.00 81.95 33 A 1 ATOM 276 C CA . ALA A 0 33 . 12.501 0.468 1.635 1.00 81.95 33 A 1 ATOM 277 C C . ALA A 0 33 . 12.949 -0.915 1.132 1.00 81.95 33 A 1 ATOM 278 C CB . ALA A 0 33 . 13.635 1.199 2.362 1.00 81.95 33 A 1 ATOM 279 O O . ALA A 0 33 . 13.443 -1.027 0.018 1.00 81.95 33 A 1 ATOM 280 N N . ASP A 0 34 . 12.738 -1.945 1.954 1.00 81.06 34 A 1 ATOM 281 C CA . ASP A 0 34 . 12.921 -3.354 1.625 1.00 81.06 34 A 1 ATOM 282 C C . ASP A 0 34 . 11.664 -4.112 2.065 1.00 81.06 34 A 1 ATOM 283 C CB . ASP A 0 34 . 14.186 -3.881 2.314 1.00 81.06 34 A 1 ATOM 284 O O . ASP A 0 34 . 11.287 -4.100 3.244 1.00 81.06 34 A 1 ATOM 285 C CG . ASP A 0 34 . 14.492 -5.353 2.006 1.00 81.06 34 A 1 ATOM 286 O OD1 . ASP A 0 34 . 13.664 -6.018 1.342 1.00 81.06 34 A 1 ATOM 287 O OD2 . ASP A 0 34 . 15.554 -5.809 2.483 1.00 81.06 34 A 1 ATOM 288 N N . SER A 0 35 . 10.991 -4.723 1.097 1.00 82.26 35 A 1 ATOM 289 C CA . SER A 0 35 . 9.724 -5.417 1.286 1.00 82.26 35 A 1 ATOM 290 C C . SER A 0 35 . 9.862 -6.889 1.651 1.00 82.26 35 A 1 ATOM 291 C CB . SER A 0 35 . 8.870 -5.262 0.040 1.00 82.26 35 A 1 ATOM 292 O O . SER A 0 35 . 8.850 -7.511 1.977 1.00 82.26 35 A 1 ATOM 293 O OG . SER A 0 35 . 9.541 -5.614 -1.141 1.00 82.26 35 A 1 ATOM 294 N N . ALA A 0 36 . 11.080 -7.437 1.699 1.00 83.82 36 A 1 ATOM 295 C CA . ALA A 0 36 . 11.305 -8.873 1.858 1.00 83.82 36 A 1 ATOM 296 C C . ALA A 0 36 . 10.732 -9.441 3.167 1.00 83.82 36 A 1 ATOM 297 C CB . ALA A 0 36 . 12.813 -9.127 1.759 1.00 83.82 36 A 1 ATOM 298 O O . ALA A 0 36 . 10.437 -10.631 3.257 1.00 83.82 36 A 1 ATOM 299 N N . LYS A 0 37 . 10.557 -8.588 4.187 1.00 75.77 37 A 1 ATOM 300 C CA . LYS A 0 37 . 9.944 -8.952 5.475 1.00 75.77 37 A 1 ATOM 301 C C . LYS A 0 37 . 8.428 -9.143 5.408 1.00 75.77 37 A 1 ATOM 302 C CB . LYS A 0 37 . 10.271 -7.892 6.532 1.00 75.77 37 A 1 ATOM 303 O O . LYS A 0 37 . 7.891 -9.856 6.245 1.00 75.77 37 A 1 ATOM 304 C CG . LYS A 0 37 . 11.759 -7.877 6.895 1.00 75.77 37 A 1 ATOM 305 C CD . LYS A 0 37 . 12.001 -6.897 8.044 1.00 75.77 37 A 1 ATOM 306 C CE . LYS A 0 37 . 13.483 -6.911 8.421 1.00 75.77 37 A 1 ATOM 307 N NZ . LYS A 0 37 . 13.758 -5.972 9.534 1.00 75.77 37 A 1 ATOM 308 N N . LEU A 0 38 . 7.758 -8.484 4.464 1.00 79.45 38 A 1 ATOM 309 C CA . LEU A 0 38 . 6.307 -8.569 4.267 1.00 79.45 38 A 1 ATOM 310 C C . LEU A 0 38 . 5.940 -9.490 3.112 1.00 79.45 38 A 1 ATOM 311 C CB . LEU A 0 38 . 5.749 -7.167 3.984 1.00 79.45 38 A 1 ATOM 312 O O . LEU A 0 38 . 4.913 -10.155 3.153 1.00 79.45 38 A 1 ATOM 313 C CG . LEU A 0 38 . 5.786 -6.227 5.192 1.00 79.45 38 A 1 ATOM 314 C CD1 . LEU A 0 38 . 5.313 -4.857 4.738 1.00 79.45 38 A 1 ATOM 315 C CD2 . LEU A 0 38 . 4.869 -6.693 6.323 1.00 79.45 38 A 1 ATOM 316 N N . VAL A 0 39 . 6.780 -9.512 2.081 1.00 85.30 39 A 1 ATOM 317 C CA . VAL A 0 39 . 6.586 -10.305 0.874 1.00 85.30 39 A 1 ATOM 318 C C . VAL A 0 39 . 7.898 -11.028 0.597 1.00 85.30 39 A 1 ATOM 319 C CB . VAL A 0 39 . 6.163 -9.412 -0.303 1.00 85.30 39 A 1 ATOM 320 O O . VAL A 0 39 . 8.810 -10.433 0.014 1.00 85.30 39 A 1 ATOM 321 C CG1 . VAL A 0 39 . 5.841 -10.255 -1.538 1.00 85.30 39 A 1 ATOM 322 C CG2 . VAL A 0 39 . 4.913 -8.603 0.043 1.00 85.30 39 A 1 ATOM 323 N N . PRO A 0 40 . 8.035 -12.293 1.028 1.00 82.83 40 A 1 ATOM 324 C CA . PRO A 0 40 . 9.250 -13.062 0.802 1.00 82.83 40 A 1 ATOM 325 C C . PRO A 0 40 . 9.657 -13.051 -0.678 1.00 82.83 40 A 1 ATOM 326 C CB . PRO A 0 40 . 8.939 -14.472 1.316 1.00 82.83 40 A 1 ATOM 327 O O . PRO A 0 40 . 8.867 -13.389 -1.554 1.00 82.83 40 A 1 ATOM 328 C CG . PRO A 0 40 . 7.896 -14.219 2.405 1.00 82.83 40 A 1 ATOM 329 C CD . PRO A 0 40 . 7.092 -13.051 1.841 1.00 82.83 40 A 1 ATOM 330 N N . GLY A 0 41 . 10.897 -12.642 -0.954 1.00 79.45 41 A 1 ATOM 331 C CA . GLY A 0 41 . 11.447 -12.561 -2.312 1.00 79.45 41 A 1 ATOM 332 C C . GLY A 0 41 . 11.202 -11.240 -3.053 1.00 79.45 41 A 1 ATOM 333 O O . GLY A 0 41 . 11.848 -11.010 -4.073 1.00 79.45 41 A 1 ATOM 334 N N . CYS A 0 42 . 10.351 -10.344 -2.544 1.00 80.95 42 A 1 ATOM 335 C CA . CYS A 0 42 . 10.233 -8.989 -3.078 1.00 80.95 42 A 1 ATOM 336 C C . CYS A 0 42 . 11.259 -8.078 -2.394 1.00 80.95 42 A 1 ATOM 337 C CB . CYS A 0 42 . 8.802 -8.484 -2.885 1.00 80.95 42 A 1 ATOM 338 O O . CYS A 0 42 . 11.309 -8.013 -1.172 1.00 80.95 42 A 1 ATOM 339 S SG . CYS A 0 42 . 8.524 -7.024 -3.931 1.00 80.95 42 A 1 ATOM 340 N N . THR A 0 43 . 12.093 -7.386 -3.168 1.00 82.01 43 A 1 ATOM 341 C CA . THR A 0 43 . 13.079 -6.417 -2.644 1.00 82.01 43 A 1 ATOM 342 C C . THR A 0 43 . 12.777 -4.989 -3.079 1.00 82.01 43 A 1 ATOM 343 C CB . THR A 0 43 . 14.500 -6.789 -3.077 1.00 82.01 43 A 1 ATOM 344 O O . THR A 0 43 . 13.419 -4.045 -2.621 1.00 82.01 43 A 1 ATOM 345 C CG2 . THR A 0 43 . 14.930 -8.148 -2.525 1.00 82.01 43 A 1 ATOM 346 O OG1 . THR A 0 43 . 14.575 -6.865 -4.484 1.00 82.01 43 A 1 ATOM 347 N N . ASN A 0 44 . 11.789 -4.813 -3.958 1.00 81.45 44 A 1 ATOM 348 C CA . ASN A 0 44 . 11.340 -3.504 -4.391 1.00 81.45 44 A 1 ATOM 349 C C . ASN A 0 44 . 10.749 -2.734 -3.208 1.00 81.45 44 A 1 ATOM 350 C CB . ASN A 0 44 . 10.316 -3.661 -5.520 1.00 81.45 44 A 1 ATOM 351 O O . ASN A 0 44 . 10.035 -3.329 -2.389 1.00 81.45 44 A 1 ATOM 352 C CG . ASN A 0 44 . 11.002 -4.042 -6.811 1.00 81.45 44 A 1 ATOM 353 N ND2 . ASN A 0 44 . 11.291 -3.072 -7.647 1.00 81.45 44 A 1 ATOM 354 O OD1 . ASN A 0 44 . 11.328 -5.189 -7.062 1.00 81.45 44 A 1 ATOM 355 N N . PRO A 0 45 . 10.977 -1.413 -3.129 1.00 85.43 45 A 1 ATOM 356 C CA . PRO A 0 45 . 10.279 -0.609 -2.152 1.00 85.43 45 A 1 ATOM 357 C C . PRO A 0 45 . 8.771 -0.710 -2.370 1.00 85.43 45 A 1 ATOM 358 C CB . PRO A 0 45 . 10.803 0.821 -2.296 1.00 85.43 45 A 1 ATOM 359 O O . PRO A 0 45 . 8.294 -0.803 -3.506 1.00 85.43 45 A 1 ATOM 360 C CG . PRO A 0 45 . 12.116 0.656 -3.060 1.00 85.43 45 A 1 ATOM 361 C CD . PRO A 0 45 . 11.893 -0.596 -3.906 1.00 85.43 45 A 1 ATOM 362 N N . LEU A 0 46 . 8.011 -0.670 -1.284 1.00 88.95 46 A 1 ATOM 363 C CA . LEU A 0 46 . 6.559 -0.625 -1.360 1.00 88.95 46 A 1 ATOM 364 C C . LEU A 0 46 . 5.969 0.369 -0.377 1.00 88.95 46 A 1 ATOM 365 C CB . LEU A 0 46 . 5.948 -2.039 -1.301 1.00 88.95 46 A 1 ATOM 366 O O . LEU A 0 46 . 6.555 0.696 0.657 1.00 88.95 46 A 1 ATOM 367 C CG . LEU A 0 46 . 6.176 -2.858 -0.019 1.00 88.95 46 A 1 ATOM 368 C CD1 . LEU A 0 46 . 5.190 -2.527 1.098 1.00 88.95 46 A 1 ATOM 369 C CD2 . LEU A 0 46 . 5.926 -4.330 -0.340 1.00 88.95 46 A 1 ATOM 370 N N . ILE A 0 47 . 4.779 0.840 -0.717 1.00 89.98 47 A 1 ATOM 371 C CA . ILE A 0 47 . 3.990 1.733 0.119 1.00 89.98 47 A 1 ATOM 372 C C . ILE A 0 47 . 2.709 1.019 0.478 1.00 89.98 47 A 1 ATOM 373 C CB . ILE A 0 47 . 3.684 3.068 -0.577 1.00 89.98 47 A 1 ATOM 374 O O . ILE A 0 47 . 1.938 0.657 -0.406 1.00 89.98 47 A 1 ATOM 375 C CG1 . ILE A 0 47 . 4.951 3.619 -1.252 1.00 89.98 47 A 1 ATOM 376 C CG2 . ILE A 0 47 . 3.087 4.047 0.451 1.00 89.98 47 A 1 ATOM 377 C CD1 . ILE A 0 47 . 4.735 4.971 -1.917 1.00 89.98 47 A 1 ATOM 378 N N . LEU A 0 48 . 2.460 0.868 1.768 1.00 91.99 48 A 1 ATOM 379 C CA . LEU A 0 48 . 1.153 0.497 2.271 1.00 91.99 48 A 1 ATOM 380 C C . LEU A 0 48 . 0.406 1.780 2.607 1.00 91.99 48 A 1 ATOM 381 C CB . LEU A 0 48 . 1.347 -0.423 3.476 1.00 91.99 48 A 1 ATOM 382 O O . LEU A 0 48 . 0.852 2.560 3.447 1.00 91.99 48 A 1 ATOM 383 C CG . LEU A 0 48 . 0.048 -0.959 4.093 1.00 91.99 48 A 1 ATOM 384 C CD1 . LEU A 0 48 . -0.792 -1.777 3.113 1.00 91.99 48 A 1 ATOM 385 C CD2 . LEU A 0 48 . 0.457 -1.843 5.270 1.00 91.99 48 A 1 ATOM 386 N N . ALA A 0 49 . -0.712 2.014 1.935 1.00 91.82 49 A 1 ATOM 387 C CA . ALA A 0 49 . -1.580 3.142 2.206 1.00 91.82 49 A 1 ATOM 388 C C . ALA A 0 49 . -2.982 2.638 2.531 1.00 91.82 49 A 1 ATOM 389 C CB . ALA A 0 49 . -1.539 4.119 1.027 1.00 91.82 49 A 1 ATOM 390 O O . ALA A 0 49 . -3.477 1.703 1.899 1.00 91.82 49 A 1 ATOM 391 N N . ALA A 0 50 . -3.636 3.266 3.497 1.00 92.19 50 A 1 ATOM 392 C CA . ALA A 0 50 . -5.032 3.007 3.781 1.00 92.19 50 A 1 ATOM 393 C C . ALA A 0 50 . -5.796 4.310 3.999 1.00 92.19 50 A 1 ATOM 394 C CB . ALA A 0 50 . -5.166 1.992 4.914 1.00 92.19 50 A 1 ATOM 395 O O . ALA A 0 50 . -5.214 5.319 4.406 1.00 92.19 50 A 1 ATOM 396 N N . LYS A 0 51 . -7.080 4.285 3.632 1.00 90.68 51 A 1 ATOM 397 C CA . LYS A 0 51 . -8.004 5.358 3.954 1.00 90.68 51 A 1 ATOM 398 C C . LYS A 0 51 . -9.411 4.910 4.233 1.00 90.68 51 A 1 ATOM 399 C CB . LYS A 0 51 . -7.963 6.492 2.924 1.00 90.68 51 A 1 ATOM 400 O O . LYS A 0 51 . -9.954 4.060 3.524 1.00 90.68 51 A 1 ATOM 401 C CG . LYS A 0 51 . -8.588 6.154 1.562 1.00 90.68 51 A 1 ATOM 402 C CD . LYS A 0 51 . -8.560 7.405 0.683 1.00 90.68 51 A 1 ATOM 403 C CE . LYS A 0 51 . -9.204 7.159 -0.680 1.00 90.68 51 A 1 ATOM 404 N NZ . LYS A 0 51 . -9.277 8.435 -1.436 1.00 90.68 51 A 1 ATOM 405 N N . GLN A 0 52 . -10.008 5.529 5.236 1.00 87.71 52 A 1 ATOM 406 C CA . GLN A 0 52 . -11.406 5.337 5.575 1.00 87.71 52 A 1 ATOM 407 C C . GLN A 0 52 . -12.268 6.364 4.838 1.00 87.71 52 A 1 ATOM 408 C CB . GLN A 0 52 . -11.540 5.423 7.090 1.00 87.71 52 A 1 ATOM 409 O O . GLN A 0 52 . -11.922 7.537 4.734 1.00 87.71 52 A 1 ATOM 410 C CG . GLN A 0 52 . -12.912 4.995 7.622 1.00 87.71 52 A 1 ATOM 411 C CD . GLN A 0 52 . -12.916 5.050 9.147 1.00 87.71 52 A 1 ATOM 412 N NE2 . GLN A 0 52 . -13.782 4.351 9.826 1.00 87.71 52 A 1 ATOM 413 O OE1 . GLN A 0 52 . -12.120 5.708 9.783 1.00 87.71 52 A 1 ATOM 414 N N . TYR A 0 53 . -13.403 5.924 4.314 1.00 85.21 53 A 1 ATOM 415 C CA . TYR A 0 53 . -14.411 6.795 3.724 1.00 85.21 53 A 1 ATOM 416 C C . TYR A 0 53 . -15.797 6.193 3.936 1.00 85.21 53 A 1 ATOM 417 C CB . TYR A 0 53 . -14.109 7.042 2.237 1.00 85.21 53 A 1 ATOM 418 O O . TYR A 0 53 . -15.962 4.976 3.980 1.00 85.21 53 A 1 ATOM 419 C CG . TYR A 0 53 . -14.249 5.831 1.331 1.00 85.21 53 A 1 ATOM 420 C CD1 . TYR A 0 53 . -13.255 4.831 1.321 1.00 85.21 53 A 1 ATOM 421 C CD2 . TYR A 0 53 . -15.386 5.697 0.510 1.00 85.21 53 A 1 ATOM 422 C CE1 . TYR A 0 53 . -13.413 3.689 0.515 1.00 85.21 53 A 1 ATOM 423 C CE2 . TYR A 0 53 . -15.523 4.577 -0.332 1.00 85.21 53 A 1 ATOM 424 O OH . TYR A 0 53 . -14.695 2.456 -1.093 1.00 85.21 53 A 1 ATOM 425 C CZ . TYR A 0 53 . -14.540 3.567 -0.323 1.00 85.21 53 A 1 ATOM 426 N N . SER A 0 54 . -16.812 7.038 4.066 1.00 80.37 54 A 1 ATOM 427 C CA . SER A 0 54 . -18.197 6.581 4.193 1.00 80.37 54 A 1 ATOM 428 C C . SER A 0 54 . -18.812 6.388 2.809 1.00 80.37 54 A 1 ATOM 429 C CB . SER A 0 54 . -19.009 7.562 5.038 1.00 80.37 54 A 1 ATOM 430 O O . SER A 0 54 . -18.642 7.230 1.928 1.00 80.37 54 A 1 ATOM 431 O OG . SER A 0 54 . -18.395 7.708 6.306 1.00 80.37 54 A 1 ATOM 432 N N . ASN A 0 55 . -19.527 5.283 2.603 1.00 71.75 55 A 1 ATOM 433 C CA . ASN A 0 55 . -20.271 5.014 1.377 1.00 71.75 55 A 1 ATOM 434 C C . ASN A 0 55 . -21.685 4.538 1.726 1.00 71.75 55 A 1 ATOM 435 C CB . ASN A 0 55 . -19.487 3.994 0.538 1.00 71.75 55 A 1 ATOM 436 O O . ASN A 0 55 . -21.859 3.424 2.224 1.00 71.75 55 A 1 ATOM 437 C CG . ASN A 0 55 . -20.098 3.765 -0.833 1.00 71.75 55 A 1 ATOM 438 N ND2 . ASN A 0 55 . -19.416 3.057 -1.706 1.00 71.75 55 A 1 ATOM 439 O OD1 . ASN A 0 55 . -21.155 4.238 -1.189 1.00 71.75 55 A 1 ATOM 440 N N . VAL A 0 56 . -22.679 5.385 1.442 1.00 75.21 56 A 1 ATOM 441 C CA . VAL A 0 56 . -24.068 5.217 1.898 1.00 75.21 56 A 1 ATOM 442 C C . VAL A 0 56 . -24.072 5.028 3.423 1.00 75.21 56 A 1 ATOM 443 C CB . VAL A 0 56 . -24.824 4.134 1.086 1.00 75.21 56 A 1 ATOM 444 O O . VAL A 0 56 . -23.644 5.935 4.135 1.00 75.21 56 A 1 ATOM 445 C CG1 . VAL A 0 56 . -26.336 4.227 1.308 1.00 75.21 56 A 1 ATOM 446 C CG2 . VAL A 0 56 . -24.606 4.270 -0.427 1.00 75.21 56 A 1 ATOM 447 N N . ASP A 0 57 . -24.433 3.843 3.911 1.00 74.86 57 A 1 ATOM 448 C CA . ASP A 0 57 . -24.551 3.525 5.338 1.00 74.86 57 A 1 ATOM 449 C C . ASP A 0 57 . -23.384 2.671 5.862 1.00 74.86 57 A 1 ATOM 450 C CB . ASP A 0 57 . -25.900 2.836 5.577 1.00 74.86 57 A 1 ATOM 451 O O . ASP A 0 57 . -23.413 2.186 6.993 1.00 74.86 57 A 1 ATOM 452 C CG . ASP A 0 57 . -27.074 3.668 5.058 1.00 74.86 57 A 1 ATOM 453 O OD1 . ASP A 0 57 . -27.111 4.881 5.359 1.00 74.86 57 A 1 ATOM 454 O OD2 . ASP A 0 57 . -27.901 3.083 4.325 1.00 74.86 57 A 1 ATOM 455 N N . VAL A 0 58 . -22.354 2.445 5.037 1.00 76.63 58 A 1 ATOM 456 C CA . VAL A 0 58 . -21.220 1.583 5.378 1.00 76.63 58 A 1 ATOM 457 C C . VAL A 0 58 . -19.924 2.379 5.358 1.00 76.63 58 A 1 ATOM 458 C CB . VAL A 0 58 . -21.155 0.334 4.479 1.00 76.63 58 A 1 ATOM 459 O O . VAL A 0 58 . -19.555 3.013 4.368 1.00 76.63 58 A 1 ATOM 460 C CG1 . VAL A 0 58 . -20.007 -0.597 4.890 1.00 76.63 58 A 1 ATOM 461 C CG2 . VAL A 0 58 . -22.454 -0.480 4.568 1.00 76.63 58 A 1 ATOM 462 N N . VAL A 0 59 . -19.195 2.298 6.465 1.00 81.65 59 A 1 ATOM 463 C CA . VAL A 0 59 . -17.805 2.733 6.549 1.00 81.65 59 A 1 ATOM 464 C C . VAL A 0 59 . -16.956 1.780 5.713 1.00 81.65 59 A 1 ATOM 465 C CB . VAL A 0 59 . -17.367 2.724 8.016 1.00 81.65 59 A 1 ATOM 466 O O . VAL A 0 59 . -16.922 0.579 5.977 1.00 81.65 59 A 1 ATOM 467 C CG1 . VAL A 0 59 . -15.869 2.926 8.180 1.00 81.65 59 A 1 ATOM 468 C CG2 . VAL A 0 59 . -18.077 3.833 8.806 1.00 81.65 59 A 1 ATOM 469 N N . LYS A 0 60 . -16.264 2.315 4.708 1.00 86.70 60 A 1 ATOM 470 C CA . LYS A 0 60 . -15.351 1.557 3.859 1.00 86.70 60 A 1 ATOM 471 C C . LYS A 0 60 . -13.903 1.931 4.129 1.00 86.70 60 A 1 ATOM 472 C CB . LYS A 0 60 . -15.713 1.706 2.377 1.00 86.70 60 A 1 ATOM 473 O O . LYS A 0 60 . -13.542 3.103 4.160 1.00 86.70 60 A 1 ATOM 474 C CG . LYS A 0 60 . -17.033 0.995 2.060 1.00 86.70 60 A 1 ATOM 475 C CD . LYS A 0 60 . -17.282 0.930 0.551 1.00 86.70 60 A 1 ATOM 476 C CE . LYS A 0 60 . -18.589 0.171 0.320 1.00 86.70 60 A 1 ATOM 477 N NZ . LYS A 0 60 . -18.944 0.082 -1.115 1.00 86.70 60 A 1 ATOM 478 N N . LEU A 0 61 . -13.055 0.922 4.246 1.00 88.95 61 A 1 ATOM 479 C CA . LEU A 0 61 . -11.613 1.043 4.214 1.00 88.95 61 A 1 ATOM 480 C C . LEU A 0 61 . -11.118 0.717 2.807 1.00 88.95 61 A 1 ATOM 481 C CB . LEU A 0 61 . -11.008 0.126 5.284 1.00 88.95 61 A 1 ATOM 482 O O . LEU A 0 61 . -11.435 -0.321 2.224 1.00 88.95 61 A 1 ATOM 483 C CG . LEU A 0 61 . -9.483 0.290 5.422 1.00 88.95 61 A 1 ATOM 484 C CD1 . LEU A 0 61 . -9.122 1.638 6.045 1.00 88.95 61 A 1 ATOM 485 C CD2 . LEU A 0 61 . -8.879 -0.794 6.302 1.00 88.95 61 A 1 ATOM 486 N N . LYS A 0 62 . -10.305 1.601 2.246 1.00 90.70 62 A 1 ATOM 487 C CA . LYS A 0 62 . -9.517 1.310 1.057 1.00 90.70 62 A 1 ATOM 488 C C . LYS A 0 62 . -8.083 1.073 1.478 1.00 90.70 62 A 1 ATOM 489 C CB . LYS A 0 62 . -9.635 2.461 0.061 1.00 90.70 62 A 1 ATOM 490 O O . LYS A 0 62 . -7.487 1.958 2.071 1.00 90.70 62 A 1 ATOM 491 C CG . LYS A 0 62 . -9.146 1.988 -1.304 1.00 90.70 62 A 1 ATOM 492 C CD . LYS A 0 62 . -9.438 3.044 -2.364 1.00 90.70 62 A 1 ATOM 493 C CE . LYS A 0 62 . -9.154 2.400 -3.716 1.00 90.70 62 A 1 ATOM 494 N NZ . LYS A 0 62 . -9.849 3.122 -4.795 1.00 90.70 62 A 1 ATOM 495 N N . VAL A 0 63 . -7.528 -0.076 1.125 1.00 91.67 63 A 1 ATOM 496 C CA . VAL A 0 63 . -6.122 -0.419 1.323 1.00 91.67 63 A 1 ATOM 497 C C . VAL A 0 63 . -5.468 -0.565 -0.045 1.00 91.67 63 A 1 ATOM 498 C CB . VAL A 0 63 . -5.961 -1.684 2.184 1.00 91.67 63 A 1 ATOM 499 O O . VAL A 0 63 . -5.991 -1.233 -0.941 1.00 91.67 63 A 1 ATOM 500 C CG1 . VAL A 0 63 . -4.480 -1.951 2.478 1.00 91.67 63 A 1 ATOM 501 C CG2 . VAL A 0 63 . -6.700 -1.543 3.520 1.00 91.67 63 A 1 ATOM 502 N N . ALA A 0 64 . -4.333 0.092 -0.227 1.00 91.69 64 A 1 ATOM 503 C CA . ALA A 0 64 . -3.538 0.020 -1.436 1.00 91.69 64 A 1 ATOM 504 C C . ALA A 0 64 . -2.092 -0.322 -1.086 1.00 91.69 64 A 1 ATOM 505 C CB . ALA A 0 64 . -3.663 1.335 -2.212 1.00 91.69 64 A 1 ATOM 506 O O . ALA A 0 64 . -1.480 0.345 -0.254 1.00 91.69 64 A 1 ATOM 507 N N . VAL A 0 65 . -1.542 -1.327 -1.765 1.00 91.35 65 A 1 ATOM 508 C CA . VAL A 0 65 . -0.100 -1.584 -1.779 1.00 91.35 65 A 1 ATOM 509 C C . VAL A 0 65 . 0.453 -1.057 -3.093 1.00 91.35 65 A 1 ATOM 510 C CB . VAL A 0 65 . 0.240 -3.068 -1.572 1.00 91.35 65 A 1 ATOM 511 O O . VAL A 0 65 . 0.045 -1.508 -4.160 1.00 91.35 65 A 1 ATOM 512 C CG1 . VAL A 0 65 . 1.762 -3.266 -1.558 1.00 91.35 65 A 1 ATOM 513 C CG2 . VAL A 0 65 . -0.310 -3.566 -0.233 1.00 91.35 65 A 1 ATOM 514 N N . VAL A 0 66 . 1.358 -0.087 -3.027 1.00 88.86 66 A 1 ATOM 515 C CA . VAL A 0 66 . 2.024 0.482 -4.199 1.00 88.86 66 A 1 ATOM 516 C C . VAL A 0 66 . 3.424 -0.108 -4.300 1.00 88.86 66 A 1 ATOM 517 C CB . VAL A 0 66 . 2.052 2.021 -4.185 1.00 88.86 66 A 1 ATOM 518 O O . VAL A 0 66 . 4.297 0.229 -3.505 1.00 88.86 66 A 1 ATOM 519 C CG1 . VAL A 0 66 . 2.479 2.545 -5.560 1.00 88.86 66 A 1 ATOM 520 C CG2 . VAL A 0 66 . 0.677 2.623 -3.860 1.00 88.86 66 A 1 ATOM 521 N N . LEU A 0 67 . 3.625 -0.991 -5.272 1.00 86.76 67 A 1 ATOM 522 C CA . LEU A 0 67 . 4.924 -1.533 -5.657 1.00 86.76 67 A 1 ATOM 523 C C . LEU A 0 67 . 5.713 -0.466 -6.418 1.00 86.76 67 A 1 ATOM 524 C CB . LEU A 0 67 . 4.684 -2.758 -6.551 1.00 86.76 67 A 1 ATOM 525 O O . LEU A 0 67 . 5.290 -0.040 -7.493 1.00 86.76 67 A 1 ATOM 526 C CG . LEU A 0 67 . 4.387 -4.068 -5.811 1.00 86.76 67 A 1 ATOM 527 C CD1 . LEU A 0 67 . 3.984 -5.113 -6.855 1.00 86.76 67 A 1 ATOM 528 C CD2 . LEU A 0 67 . 5.632 -4.524 -5.042 1.00 86.76 67 A 1 ATOM 529 N N . MET A 0 68 . 6.842 -0.031 -5.863 1.00 85.24 68 A 1 ATOM 530 C CA . MET A 0 68 . 7.630 1.067 -6.414 1.00 85.24 68 A 1 ATOM 531 C C . MET A 0 68 . 8.748 0.560 -7.325 1.00 85.24 68 A 1 ATOM 532 C CB . MET A 0 68 . 8.189 1.957 -5.300 1.00 85.24 68 A 1 ATOM 533 O O . MET A 0 68 . 9.557 -0.293 -6.952 1.00 85.24 68 A 1 ATOM 534 C CG . MET A 0 68 . 7.102 2.566 -4.403 1.00 85.24 68 A 1 ATOM 535 S SD . MET A 0 68 . 5.890 3.649 -5.220 1.00 85.24 68 A 1 ATOM 536 C CE . MET A 0 68 . 6.984 4.871 -5.980 1.00 85.24 68 A 1 ATOM 537 N N . ILE A 0 69 . 8.825 1.138 -8.522 1.00 80.24 69 A 1 ATOM 538 C CA . ILE A 0 69 . 9.819 0.804 -9.544 1.00 80.24 69 A 1 ATOM 539 C C . ILE A 0 69 . 10.506 2.092 -10.024 1.00 80.24 69 A 1 ATOM 540 C CB . ILE A 0 69 . 9.159 0.022 -10.704 1.00 80.24 69 A 1 ATOM 541 O O . ILE A 0 69 . 9.828 3.088 -10.274 1.00 80.24 69 A 1 ATOM 542 C CG1 . ILE A 0 69 . 8.418 -1.225 -10.160 1.00 80.24 69 A 1 ATOM 543 C CG2 . ILE A 0 69 . 10.217 -0.386 -11.750 1.00 80.24 69 A 1 ATOM 544 C CD1 . ILE A 0 69 . 7.726 -2.067 -11.231 1.00 80.24 69 A 1 ATOM 545 N N . PRO A 0 70 . 11.836 2.124 -10.198 1.00 76.18 70 A 1 ATOM 546 C CA . PRO A 0 70 . 12.495 3.270 -10.817 1.00 76.18 70 A 1 ATOM 547 C C . PRO A 0 70 . 11.983 3.511 -12.246 1.00 76.18 70 A 1 ATOM 548 C CB . PRO A 0 70 . 13.992 2.942 -10.800 1.00 76.18 70 A 1 ATOM 549 O O . PRO A 0 70 . 11.911 2.583 -13.053 1.00 76.18 70 A 1 ATOM 550 C CG . PRO A 0 70 . 14.129 1.896 -9.696 1.00 76.18 70 A 1 ATOM 551 C CD . PRO A 0 70 . 12.809 1.138 -9.757 1.00 76.18 70 A 1 ATOM 552 N N . LEU A 0 71 . 11.684 4.758 -12.619 1.00 72.10 71 A 1 ATOM 553 C CA . LEU A 0 71 . 11.208 5.079 -13.973 1.00 72.10 71 A 1 ATOM 554 C C . LEU A 0 71 . 12.245 4.718 -15.051 1.00 72.10 71 A 1 ATOM 555 C CB . LEU A 0 71 . 10.842 6.572 -14.063 1.00 72.10 71 A 1 ATOM 556 O O . LEU A 0 71 . 11.896 4.293 -16.153 1.00 72.10 71 A 1 ATOM 557 C CG . LEU A 0 71 . 10.190 6.933 -15.417 1.00 72.10 71 A 1 ATOM 558 C CD1 . LEU A 0 71 . 8.794 6.327 -15.555 1.00 72.10 71 A 1 ATOM 559 C CD2 . LEU A 0 71 . 10.040 8.429 -15.596 1.00 72.10 71 A 1 ATOM 560 N N . ILE A 0 72 . 13.535 4.846 -14.731 1.00 65.90 72 A 1 ATOM 561 C CA . ILE A 0 72 . 14.626 4.451 -15.632 1.00 65.90 72 A 1 ATOM 562 C C . ILE A 0 72 . 14.558 2.948 -15.939 1.00 65.90 72 A 1 ATOM 563 C CB . ILE A 0 72 . 15.996 4.852 -15.040 1.00 65.90 72 A 1 ATOM 564 O O . ILE A 0 72 . 14.765 2.554 -17.085 1.00 65.90 72 A 1 ATOM 565 C CG1 . ILE A 0 72 . 16.082 6.390 -14.883 1.00 65.90 72 A 1 ATOM 566 C CG2 . ILE A 0 72 . 17.144 4.345 -15.937 1.00 65.90 72 A 1 ATOM 567 C CD1 . ILE A 0 72 . 17.325 6.875 -14.126 1.00 65.90 72 A 1 ATOM 568 N N . ASP A 0 73 . 14.232 2.114 -14.947 1.00 65.17 73 A 1 ATOM 569 C CA . ASP A 0 73 . 14.036 0.678 -15.161 1.00 65.17 73 A 1 ATOM 570 C C . ASP A 0 73 . 12.806 0.412 -16.030 1.00 65.17 73 A 1 ATOM 571 C CB . ASP A 0 73 . 13.908 -0.061 -13.820 1.00 65.17 73 A 1 ATOM 572 O O . ASP A 0 73 . 12.877 -0.408 -16.943 1.00 65.17 73 A 1 ATOM 573 C CG . ASP A 0 73 . 15.261 -0.379 -13.191 1.00 65.17 73 A 1 ATOM 574 O OD1 . ASP A 0 73 . 16.110 -0.966 -13.907 1.00 65.17 73 A 1 ATOM 575 O OD2 . ASP A 0 73 . 15.417 -0.158 -11.977 1.00 65.17 73 A 1 ATOM 576 N N . PHE A 0 74 . 11.712 1.142 -15.796 1.00 63.34 74 A 1 ATOM 577 C CA . PHE A 0 74 . 10.472 0.993 -16.560 1.00 63.34 74 A 1 ATOM 578 C C . PHE A 0 74 . 10.610 1.417 -18.033 1.00 63.34 74 A 1 ATOM 579 C CB . PHE A 0 74 . 9.360 1.784 -15.858 1.00 63.34 74 A 1 ATOM 580 O O . PHE A 0 74 . 9.993 0.831 -18.912 1.00 63.34 74 A 1 ATOM 581 C CG . PHE A 0 74 . 7.973 1.407 -16.338 1.00 63.34 74 A 1 ATOM 582 C CD1 . PHE A 0 74 . 7.363 2.114 -17.391 1.00 63.34 74 A 1 ATOM 583 C CD2 . PHE A 0 74 . 7.311 0.307 -15.759 1.00 63.34 74 A 1 ATOM 584 C CE1 . PHE A 0 74 . 6.106 1.711 -17.875 1.00 63.34 74 A 1 ATOM 585 C CE2 . PHE A 0 74 . 6.052 -0.093 -16.240 1.00 63.34 74 A 1 ATOM 586 C CZ . PHE A 0 74 . 5.453 0.604 -17.303 1.00 63.34 74 A 1 ATOM 587 N N . SER A 0 75 . 11.422 2.437 -18.316 1.00 63.75 75 A 1 ATOM 588 C CA . SER A 0 75 . 11.604 2.978 -19.673 1.00 63.75 75 A 1 ATOM 589 C C . SER A 0 75 . 12.645 2.231 -20.506 1.00 63.75 75 A 1 ATOM 590 C CB . SER A 0 75 . 11.975 4.463 -19.609 1.00 63.75 75 A 1 ATOM 591 O O . SER A 0 75 . 12.531 2.195 -21.729 1.00 63.75 75 A 1 ATOM 592 O OG . SER A 0 75 . 13.073 4.681 -18.742 1.00 63.75 75 A 1 ATOM 593 N N . LYS A 0 76 . 13.684 1.669 -19.871 1.00 60.61 76 A 1 ATOM 594 C CA . LYS A 0 76 . 14.811 1.036 -20.580 1.00 60.61 76 A 1 ATOM 595 C C . LYS A 0 76 . 14.697 -0.471 -20.707 1.00 60.61 76 A 1 ATOM 596 C CB . LYS A 0 76 . 16.134 1.368 -19.889 1.00 60.61 76 A 1 ATOM 597 O O . LYS A 0 76 . 15.261 -1.039 -21.641 1.00 60.61 76 A 1 ATOM 598 C CG . LYS A 0 76 . 16.503 2.842 -20.058 1.00 60.61 76 A 1 ATOM 599 C CD . LYS A 0 76 . 17.909 3.072 -19.505 1.00 60.61 76 A 1 ATOM 600 C CE . LYS A 0 76 . 18.292 4.537 -19.711 1.00 60.61 76 A 1 ATOM 601 N NZ . LYS A 0 76 . 19.644 4.816 -19.174 1.00 60.61 76 A 1 ATOM 602 N N . LYS A 0 77 . 14.048 -1.136 -19.754 1.00 54.86 77 A 1 ATOM 603 C CA . LYS A 0 77 . 13.813 -2.570 -19.874 1.00 54.86 77 A 1 ATOM 604 C C . LYS A 0 77 . 12.613 -2.744 -20.791 1.00 54.86 77 A 1 ATOM 605 C CB . LYS A 0 77 . 13.667 -3.224 -18.488 1.00 54.86 77 A 1 ATOM 606 O O . LYS A 0 77 . 11.631 -2.018 -20.665 1.00 54.86 77 A 1 ATOM 607 C CG . LYS A 0 77 . 15.008 -3.137 -17.732 1.00 54.86 77 A 1 ATOM 608 C CD . LYS A 0 77 . 14.955 -3.745 -16.328 1.00 54.86 77 A 1 ATOM 609 C CE . LYS A 0 77 . 16.361 -3.693 -15.717 1.00 54.86 77 A 1 ATOM 610 N NZ . LYS A 0 77 . 16.324 -3.717 -14.238 1.00 54.86 77 A 1 ATOM 611 N N . ASN A 0 78 . 12.663 -3.745 -21.667 1.00 58.61 78 A 1 ATOM 612 C CA . ASN A 0 78 . 11.434 -4.454 -21.995 1.00 58.61 78 A 1 ATOM 613 C C . ASN A 0 78 . 10.913 -4.922 -20.647 1.00 58.61 78 A 1 ATOM 614 C CB . ASN A 0 78 . 11.725 -5.650 -22.917 1.00 58.61 78 A 1 ATOM 615 O O . ASN A 0 78 . 11.432 -5.894 -20.100 1.00 58.61 78 A 1 ATOM 616 C CG . ASN A 0 78 . 11.941 -5.260 -24.363 1.00 58.61 78 A 1 ATOM 617 N ND2 . ASN A 0 78 . 12.501 -6.144 -25.153 1.00 58.61 78 A 1 ATOM 618 O OD1 . ASN A 0 78 . 11.606 -4.180 -24.813 1.00 58.61 78 A 1 ATOM 619 N N . VAL A 0 79 . 10.038 -4.120 -20.043 1.00 60.22 79 A 1 ATOM 620 C CA . VAL A 0 79 . 9.440 -4.421 -18.759 1.00 60.22 79 A 1 ATOM 621 C C . VAL A 0 79 . 8.858 -5.801 -18.939 1.00 60.22 79 A 1 ATOM 622 C CB . VAL A 0 79 . 8.368 -3.383 -18.417 1.00 60.22 79 A 1 ATOM 623 O O . VAL A 0 79 . 7.972 -5.993 -19.769 1.00 60.22 79 A 1 ATOM 624 C CG1 . VAL A 0 79 . 7.548 -3.803 -17.208 1.00 60.22 79 A 1 ATOM 625 C CG2 . VAL A 0 79 . 9.026 -2.046 -18.080 1.00 60.22 79 A 1 ATOM 626 N N . ASP A 0 80 . 9.447 -6.774 -18.258 1.00 69.85 80 A 1 ATOM 627 C CA . ASP A 0 80 . 8.984 -8.138 -18.362 1.00 69.85 80 A 1 ATOM 628 C C . ASP A 0 80 . 7.627 -8.179 -17.666 1.00 69.85 80 A 1 ATOM 629 C CB . ASP A 0 80 . 10.026 -9.107 -17.802 1.00 69.85 80 A 1 ATOM 630 O O . ASP A 0 80 . 7.525 -8.230 -16.439 1.00 69.85 80 A 1 ATOM 631 C CG . ASP A 0 80 . 9.518 -10.549 -17.827 1.00 69.85 80 A 1 ATOM 632 O OD1 . ASP A 0 80 . 8.413 -10.792 -18.362 1.00 69.85 80 A 1 ATOM 633 O OD2 . ASP A 0 80 . 10.214 -11.396 -17.234 1.00 69.85 80 A 1 ATOM 634 N N . ILE A 0 81 . 6.580 -8.053 -18.480 1.00 70.71 81 A 1 ATOM 635 C CA . ILE A 0 81 . 5.192 -7.991 -18.038 1.00 70.71 81 A 1 ATOM 636 C C . ILE A 0 81 . 4.861 -9.244 -17.224 1.00 70.71 81 A 1 ATOM 637 C CB . ILE A 0 81 . 4.253 -7.822 -19.258 1.00 70.71 81 A 1 ATOM 638 O O . ILE A 0 81 . 4.120 -9.145 -16.250 1.00 70.71 81 A 1 ATOM 639 C CG1 . ILE A 0 81 . 4.542 -6.489 -19.991 1.00 70.71 81 A 1 ATOM 640 C CG2 . ILE A 0 81 . 2.775 -7.887 -18.830 1.00 70.71 81 A 1 ATOM 641 C CD1 . ILE A 0 81 . 3.727 -6.260 -21.270 1.00 70.71 81 A 1 ATOM 642 N N . LEU A 0 82 . 5.448 -10.399 -17.564 1.00 74.65 82 A 1 ATOM 643 C CA . LEU A 0 82 . 5.248 -11.641 -16.819 1.00 74.65 82 A 1 ATOM 644 C C . LEU A 0 82 . 5.886 -11.559 -15.432 1.00 74.65 82 A 1 ATOM 645 C CB . LEU A 0 82 . 5.822 -12.832 -17.604 1.00 74.65 82 A 1 ATOM 646 O O . LEU A 0 82 . 5.253 -11.935 -14.445 1.00 74.65 82 A 1 ATOM 647 C CG . LEU A 0 82 . 5.188 -13.066 -18.984 1.00 74.65 82 A 1 ATOM 648 C CD1 . LEU A 0 82 . 5.906 -14.219 -19.686 1.00 74.65 82 A 1 ATOM 649 C CD2 . LEU A 0 82 . 3.702 -13.419 -18.874 1.00 74.65 82 A 1 ATOM 650 N N . SER A 0 83 . 7.098 -11.008 -15.336 1.00 76.70 83 A 1 ATOM 651 C CA . SER A 0 83 . 7.748 -10.753 -14.046 1.00 76.70 83 A 1 ATOM 652 C C . SER A 0 83 . 6.964 -9.748 -13.193 1.00 76.70 83 A 1 ATOM 653 C CB . SER A 0 83 . 9.180 -10.250 -14.240 1.00 76.70 83 A 1 ATOM 654 O O . SER A 0 83 . 6.800 -9.965 -11.993 1.00 76.70 83 A 1 ATOM 655 O OG . SER A 0 83 . 10.043 -11.292 -14.647 1.00 76.70 83 A 1 ATOM 656 N N . LEU A 0 84 . 6.426 -8.676 -13.788 1.00 75.84 84 A 1 ATOM 657 C CA . LEU A 0 84 . 5.573 -7.727 -13.062 1.00 75.84 84 A 1 ATOM 658 C C . LEU A 0 84 . 4.270 -8.362 -12.584 1.00 75.84 84 A 1 ATOM 659 C CB . LEU A 0 84 . 5.223 -6.511 -13.930 1.00 75.84 84 A 1 ATOM 660 O O . LEU A 0 84 . 3.877 -8.148 -11.441 1.00 75.84 84 A 1 ATOM 661 C CG . LEU A 0 84 . 6.336 -5.479 -14.133 1.00 75.84 84 A 1 ATOM 662 C CD1 . LEU A 0 84 . 5.694 -4.245 -14.765 1.00 75.84 84 A 1 ATOM 663 C CD2 . LEU A 0 84 . 6.986 -5.017 -12.831 1.00 75.84 84 A 1 ATOM 664 N N . HIS A 0 85 . 3.609 -9.138 -13.441 1.00 79.27 85 A 1 ATOM 665 C CA . HIS A 0 85 . 2.383 -9.842 -13.085 1.00 79.27 85 A 1 ATOM 666 C C . HIS A 0 85 . 2.628 -10.810 -11.928 1.00 79.27 85 A 1 ATOM 667 C CB . HIS A 0 85 . 1.855 -10.581 -14.314 1.00 79.27 85 A 1 ATOM 668 O O . HIS A 0 85 . 1.922 -10.761 -10.927 1.00 79.27 85 A 1 ATOM 669 C CG . HIS A 0 85 . 0.487 -11.158 -14.085 1.00 79.27 85 A 1 ATOM 670 C CD2 . HIS A 0 85 . -0.690 -10.529 -14.382 1.00 79.27 85 A 1 ATOM 671 N ND1 . HIS A 0 85 . 0.167 -12.394 -13.561 1.00 79.27 85 A 1 ATOM 672 C CE1 . HIS A 0 85 . -1.172 -12.505 -13.578 1.00 79.27 85 A 1 ATOM 673 N NE2 . HIS A 0 85 . -1.738 -11.393 -14.075 1.00 79.27 85 A 1 ATOM 674 N N . SER A 0 86 . 3.698 -11.603 -12.017 1.00 82.80 86 A 1 ATOM 675 C CA . SER A 0 86 . 4.101 -12.534 -10.957 1.00 82.80 86 A 1 ATOM 676 C C . SER A 0 86 . 4.393 -11.802 -9.642 1.00 82.80 86 A 1 ATOM 677 C CB . SER A 0 86 . 5.353 -13.313 -11.375 1.00 82.80 86 A 1 ATOM 678 O O . SER A 0 86 . 4.035 -12.274 -8.563 1.00 82.80 86 A 1 ATOM 679 O OG . SER A 0 86 . 5.171 -13.985 -12.607 1.00 82.80 86 A 1 ATOM 680 N N . MET A 0 87 . 5.018 -10.620 -9.706 1.00 81.87 87 A 1 ATOM 681 C CA . MET A 0 87 . 5.270 -9.789 -8.526 1.00 81.87 87 A 1 ATOM 682 C C . MET A 0 87 . 3.968 -9.265 -7.913 1.00 81.87 87 A 1 ATOM 683 C CB . MET A 0 87 . 6.212 -8.637 -8.901 1.00 81.87 87 A 1 ATOM 684 O O . MET A 0 87 . 3.808 -9.327 -6.696 1.00 81.87 87 A 1 ATOM 685 C CG . MET A 0 87 . 6.665 -7.822 -7.683 1.00 81.87 87 A 1 ATOM 686 S SD . MET A 0 87 . 7.676 -6.369 -8.091 1.00 81.87 87 A 1 ATOM 687 C CE . MET A 0 87 . 9.149 -7.174 -8.781 1.00 81.87 87 A 1 ATOM 688 N N . ILE A 0 88 . 3.028 -8.787 -8.734 1.00 83.95 88 A 1 ATOM 689 C CA . ILE A 0 88 . 1.706 -8.342 -8.274 1.00 83.95 88 A 1 ATOM 690 C C . ILE A 0 88 . 0.965 -9.499 -7.599 1.00 83.95 88 A 1 ATOM 691 C CB . ILE A 0 88 . 0.899 -7.730 -9.441 1.00 83.95 88 A 1 ATOM 692 O O . ILE A 0 88 . 0.516 -9.332 -6.468 1.00 83.95 88 A 1 ATOM 693 C CG1 . ILE A 0 88 . 1.512 -6.370 -9.846 1.00 83.95 88 A 1 ATOM 694 C CG2 . ILE A 0 88 . -0.583 -7.546 -9.056 1.00 83.95 88 A 1 ATOM 695 C CD1 . ILE A 0 88 . 1.014 -5.859 -11.203 1.00 83.95 88 A 1 ATOM 696 N N . GLU A 0 89 . 0.908 -10.674 -8.230 1.00 85.46 89 A 1 ATOM 697 C CA . GLU A 0 89 . 0.281 -11.869 -7.652 1.00 85.46 89 A 1 ATOM 698 C C . GLU A 0 89 . 0.923 -12.254 -6.316 1.00 85.46 89 A 1 ATOM 699 C CB . GLU A 0 89 . 0.410 -13.057 -8.614 1.00 85.46 89 A 1 ATOM 700 O O . GLU A 0 89 . 0.221 -12.544 -5.349 1.00 85.46 89 A 1 ATOM 701 C CG . GLU A 0 89 . -0.526 -12.957 -9.823 1.00 85.46 89 A 1 ATOM 702 C CD . GLU A 0 89 . -0.382 -14.170 -10.753 1.00 85.46 89 A 1 ATOM 703 O OE1 . GLU A 0 89 . -1.397 -14.570 -11.361 1.00 85.46 89 A 1 ATOM 704 O OE2 . GLU A 0 89 . 0.750 -14.680 -10.905 1.00 85.46 89 A 1 ATOM 705 N N . THR A 0 90 . 2.254 -12.198 -6.221 1.00 87.56 90 A 1 ATOM 706 C CA . THR A 0 90 . 2.973 -12.496 -4.973 1.00 87.56 90 A 1 ATOM 707 C C . THR A 0 90 . 2.597 -11.504 -3.868 1.00 87.56 90 A 1 ATOM 708 C CB . THR A 0 90 . 4.493 -12.484 -5.192 1.00 87.56 90 A 1 ATOM 709 O O . THR A 0 90 . 2.383 -11.899 -2.721 1.00 87.56 90 A 1 ATOM 710 C CG2 . THR A 0 90 . 5.258 -12.946 -3.951 1.00 87.56 90 A 1 ATOM 711 O OG1 . THR A 0 90 . 4.868 -13.370 -6.221 1.00 87.56 90 A 1 ATOM 712 N N . VAL A 0 91 . 2.466 -10.211 -4.182 1.00 86.95 91 A 1 ATOM 713 C CA . VAL A 0 91 . 1.993 -9.212 -3.209 1.00 86.95 91 A 1 ATOM 714 C C . VAL A 0 91 . 0.539 -9.470 -2.814 1.00 86.95 91 A 1 ATOM 715 C CB . VAL A 0 91 . 2.161 -7.783 -3.749 1.00 86.95 91 A 1 ATOM 716 O O . VAL A 0 91 . 0.212 -9.399 -1.630 1.00 86.95 91 A 1 ATOM 717 C CG1 . VAL A 0 91 . 1.578 -6.711 -2.817 1.00 86.95 91 A 1 ATOM 718 C CG2 . VAL A 0 91 . 3.642 -7.432 -3.885 1.00 86.95 91 A 1 ATOM 719 N N . GLU A 0 92 . -0.330 -9.807 -3.767 1.00 87.10 92 A 1 ATOM 720 C CA . GLU A 0 92 . -1.732 -10.138 -3.494 1.00 87.10 92 A 1 ATOM 721 C C . GLU A 0 92 . -1.877 -11.378 -2.603 1.00 87.10 92 A 1 ATOM 722 C CB . GLU A 0 92 . -2.513 -10.328 -4.804 1.00 87.10 92 A 1 ATOM 723 O O . GLU A 0 92 . -2.707 -11.384 -1.694 1.00 87.10 92 A 1 ATOM 724 C CG . GLU A 0 92 . -2.781 -8.983 -5.492 1.00 87.10 92 A 1 ATOM 725 C CD . GLU A 0 92 . -3.722 -9.065 -6.699 1.00 87.10 92 A 1 ATOM 726 O OE1 . GLU A 0 92 . -4.149 -7.969 -7.136 1.00 87.10 92 A 1 ATOM 727 O OE2 . GLU A 0 92 . -4.063 -10.189 -7.124 1.00 87.10 92 A 1 ATOM 728 N N . GLN A 0 93 . -1.025 -12.390 -2.776 1.00 89.04 93 A 1 ATOM 729 C CA . GLN A 0 93 . -0.978 -13.571 -1.905 1.00 89.04 93 A 1 ATOM 730 C C . GLN A 0 93 . -0.592 -13.225 -0.458 1.00 89.04 93 A 1 ATOM 731 C CB . GLN A 0 93 . 0.013 -14.586 -2.487 1.00 89.04 93 A 1 ATOM 732 O O . GLN A 0 93 . -1.018 -13.906 0.472 1.00 89.04 93 A 1 ATOM 733 C CG . GLN A 0 93 . -0.538 -15.287 -3.738 1.00 89.04 93 A 1 ATOM 734 C CD . GLN A 0 93 . 0.517 -16.123 -4.455 1.00 89.04 93 A 1 ATOM 735 N NE2 . GLN A 0 93 . 0.187 -16.704 -5.586 1.00 89.04 93 A 1 ATOM 736 O OE1 . GLN A 0 93 . 1.644 -16.291 -4.017 1.00 89.04 93 A 1 ATOM 737 N N . ASN A 0 94 . 0.150 -12.133 -0.248 1.00 89.42 94 A 1 ATOM 738 C CA . ASN A 0 94 . 0.528 -11.632 1.077 1.00 89.42 94 A 1 ATOM 739 C C . ASN A 0 94 . -0.473 -10.603 1.644 1.00 89.42 94 A 1 ATOM 740 C CB . ASN A 0 94 . 1.981 -11.133 1.035 1.00 89.42 94 A 1 ATOM 741 O O . ASN A 0 94 . -0.201 -9.964 2.662 1.00 89.42 94 A 1 ATOM 742 C CG . ASN A 0 94 . 2.961 -12.290 0.949 1.00 89.42 94 A 1 ATOM 743 N ND2 . ASN A 0 94 . 3.356 -12.701 -0.231 1.00 89.42 94 A 1 ATOM 744 O OD1 . ASN A 0 94 . 3.358 -12.880 1.936 1.00 89.42 94 A 1 ATOM 745 N N . ARG A 0 95 . -1.660 -10.459 1.030 1.00 90.53 95 A 1 ATOM 746 C CA . ARG A 0 95 . -2.718 -9.518 1.444 1.00 90.53 95 A 1 ATOM 747 C C . ARG A 0 95 . -3.012 -9.546 2.943 1.00 90.53 95 A 1 ATOM 748 C CB . ARG A 0 95 . -3.987 -9.799 0.623 1.00 90.53 95 A 1 ATOM 749 O O . ARG A 0 95 . -3.178 -8.481 3.527 1.00 90.53 95 A 1 ATOM 750 C CG . ARG A 0 95 . -5.208 -9.007 1.108 1.00 90.53 95 A 1 ATOM 751 C CD . ARG A 0 95 . -6.411 -9.261 0.200 1.00 90.53 95 A 1 ATOM 752 N NE . ARG A 0 95 . -7.596 -8.550 0.709 1.00 90.53 95 A 1 ATOM 753 N NH1 . ARG A 0 95 . -9.042 -9.131 -0.969 1.00 90.53 95 A 1 ATOM 754 N NH2 . ARG A 0 95 . -9.760 -7.851 0.725 1.00 90.53 95 A 1 ATOM 755 C CZ . ARG A 0 95 . -8.793 -8.516 0.154 1.00 90.53 95 A 1 ATOM 756 N N . VAL A 0 96 . -3.097 -10.729 3.557 1.00 89.32 96 A 1 ATOM 757 C CA . VAL A 0 96 . -3.444 -10.867 4.984 1.00 89.32 96 A 1 ATOM 758 C C . VAL A 0 96 . -2.459 -10.097 5.865 1.00 89.32 96 A 1 ATOM 759 C CB . VAL A 0 96 . -3.528 -12.348 5.401 1.00 89.32 96 A 1 ATOM 760 O O . VAL A 0 96 . -2.898 -9.284 6.671 1.00 89.32 96 A 1 ATOM 761 C CG1 . VAL A 0 96 . -3.770 -12.527 6.904 1.00 89.32 96 A 1 ATOM 762 C CG2 . VAL A 0 96 . -4.679 -13.040 4.656 1.00 89.32 96 A 1 ATOM 763 N N . GLY A 0 97 . -1.150 -10.249 5.640 1.00 88.65 97 A 1 ATOM 764 C CA . GLY A 0 97 . -0.132 -9.542 6.421 1.00 88.65 97 A 1 ATOM 765 C C . GLY A 0 97 . -0.249 -8.020 6.302 1.00 88.65 97 A 1 ATOM 766 O O . GLY A 0 97 . -0.176 -7.309 7.301 1.00 88.65 97 A 1 ATOM 767 N N . PHE A 0 98 . -0.528 -7.504 5.101 1.00 90.57 98 A 1 ATOM 768 C CA . PHE A 0 98 . -0.760 -6.069 4.906 1.00 90.57 98 A 1 ATOM 769 C C . PHE A 0 98 . -2.013 -5.565 5.622 1.00 90.57 98 A 1 ATOM 770 C CB . PHE A 0 98 . -0.897 -5.764 3.414 1.00 90.57 98 A 1 ATOM 771 O O . PHE A 0 98 . -2.008 -4.469 6.182 1.00 90.57 98 A 1 ATOM 772 C CG . PHE A 0 98 . 0.363 -5.984 2.615 1.00 90.57 98 A 1 ATOM 773 C CD1 . PHE A 0 98 . 1.490 -5.177 2.851 1.00 90.57 98 A 1 ATOM 774 C CD2 . PHE A 0 98 . 0.405 -6.974 1.618 1.00 90.57 98 A 1 ATOM 775 C CE1 . PHE A 0 98 . 2.636 -5.328 2.056 1.00 90.57 98 A 1 ATOM 776 C CE2 . PHE A 0 98 . 1.558 -7.140 0.839 1.00 90.57 98 A 1 ATOM 777 C CZ . PHE A 0 98 . 2.663 -6.297 1.043 1.00 90.57 98 A 1 ATOM 778 N N . LEU A 0 99 . -3.096 -6.343 5.601 1.00 90.66 99 A 1 ATOM 779 C CA . LEU A 0 99 . -4.309 -5.987 6.328 1.00 90.66 99 A 1 ATOM 780 C C . LEU A 0 99 . -4.037 -5.965 7.837 1.00 90.66 99 A 1 ATOM 781 C CB . LEU A 0 99 . -5.456 -6.936 5.946 1.00 90.66 99 A 1 ATOM 782 O O . LEU A 0 99 . -4.377 -4.986 8.489 1.00 90.66 99 A 1 ATOM 783 C CG . LEU A 0 99 . -5.959 -6.813 4.493 1.00 90.66 99 A 1 ATOM 784 C CD1 . LEU A 0 99 . -7.129 -7.776 4.292 1.00 90.66 99 A 1 ATOM 785 C CD2 . LEU A 0 99 . -6.400 -5.405 4.078 1.00 90.66 99 A 1 ATOM 786 N N . GLU A 0 100 . -3.347 -6.955 8.397 1.00 88.31 100 A 1 ATOM 787 C CA . GLU A 0 100 . -2.993 -6.969 9.825 1.00 88.31 100 A 1 ATOM 788 C C . GLU A 0 100 . -2.143 -5.760 10.250 1.00 88.31 100 A 1 ATOM 789 C CB . GLU A 0 100 . -2.251 -8.265 10.162 1.00 88.31 100 A 1 ATOM 790 O O . GLU A 0 100 . -2.338 -5.207 11.339 1.00 88.31 100 A 1 ATOM 791 C CG . GLU A 0 100 . -3.188 -9.476 10.091 1.00 88.31 100 A 1 ATOM 792 C CD . GLU A 0 100 . -2.497 -10.798 10.444 1.00 88.31 100 A 1 ATOM 793 O OE1 . GLU A 0 100 . -3.240 -11.739 10.804 1.00 88.31 100 A 1 ATOM 794 O OE2 . GLU A 0 100 . -1.248 -10.864 10.370 1.00 88.31 100 A 1 ATOM 795 N N . GLU A 0 101 . -1.246 -5.284 9.383 1.00 87.57 101 A 1 ATOM 796 C CA . GLU A 0 101 . -0.497 -4.052 9.639 1.00 87.57 101 A 1 ATOM 797 C C . GLU A 0 101 . -1.394 -2.807 9.693 1.00 87.57 101 A 1 ATOM 798 C CB . GLU A 0 101 . 0.589 -3.847 8.581 1.00 87.57 101 A 1 ATOM 799 O O . GLU A 0 101 . -1.180 -1.937 10.539 1.00 87.57 101 A 1 ATOM 800 C CG . GLU A 0 101 . 1.774 -4.805 8.745 1.00 87.57 101 A 1 ATOM 801 C CD . GLU A 0 101 . 2.983 -4.240 8.007 1.00 87.57 101 A 1 ATOM 802 O OE1 . GLU A 0 101 . 4.051 -4.051 8.639 1.00 87.57 101 A 1 ATOM 803 O OE2 . GLU A 0 101 . 2.827 -3.792 6.851 1.00 87.57 101 A 1 ATOM 804 N N . VAL A 0 102 . -2.412 -2.730 8.830 1.00 89.35 102 A 1 ATOM 805 C CA . VAL A 0 102 . -3.391 -1.627 8.811 1.00 89.35 102 A 1 ATOM 806 C C . VAL A 0 102 . -4.405 -1.752 9.949 1.00 89.35 102 A 1 ATOM 807 C CB . VAL A 0 102 . -4.107 -1.571 7.447 1.00 89.35 102 A 1 ATOM 808 O O . VAL A 0 102 . -4.879 -0.744 10.473 1.00 89.35 102 A 1 ATOM 809 C CG1 . VAL A 0 102 . -5.212 -0.518 7.393 1.00 89.35 102 A 1 ATOM 810 C CG2 . VAL A 0 102 . -3.129 -1.212 6.328 1.00 89.35 102 A 1 ATOM 811 N N . PHE A 0 103 . -4.730 -2.974 10.371 1.00 88.36 103 A 1 ATOM 812 C CA . PHE A 0 103 . -5.737 -3.244 11.395 1.00 88.36 103 A 1 ATOM 813 C C . PHE A 0 103 . -5.453 -2.485 12.690 1.00 88.36 103 A 1 ATOM 814 C CB . PHE A 0 103 . -5.789 -4.752 11.671 1.00 88.36 103 A 1 ATOM 815 O O . PHE A 0 103 . -6.366 -1.932 13.295 1.00 88.36 103 A 1 ATOM 816 C CG . PHE A 0 103 . -6.774 -5.117 12.761 1.00 88.36 103 A 1 ATOM 817 C CD1 . PHE A 0 103 . -6.323 -5.378 14.070 1.00 88.36 103 A 1 ATOM 818 C CD2 . PHE A 0 103 . -8.150 -5.154 12.474 1.00 88.36 103 A 1 ATOM 819 C CE1 . PHE A 0 103 . -7.250 -5.672 15.087 1.00 88.36 103 A 1 ATOM 820 C CE2 . PHE A 0 103 . -9.076 -5.433 13.493 1.00 88.36 103 A 1 ATOM 821 C CZ . PHE A 0 103 . -8.626 -5.693 14.799 1.00 88.36 103 A 1 ATOM 822 N N . HIS A 0 104 . -4.185 -2.398 13.091 1.00 82.64 104 A 1 ATOM 823 C CA . HIS A 0 104 . -3.783 -1.698 14.308 1.00 82.64 104 A 1 ATOM 824 C C . HIS A 0 104 . -4.207 -0.224 14.324 1.00 82.64 104 A 1 ATOM 825 C CB . HIS A 0 104 . -2.268 -1.830 14.473 1.00 82.64 104 A 1 ATOM 826 O O . HIS A 0 104 . -4.542 0.282 15.396 1.00 82.64 104 A 1 ATOM 827 C CG . HIS A 0 104 . -1.860 -3.228 14.854 1.00 82.64 104 A 1 ATOM 828 C CD2 . HIS A 0 104 . -1.600 -3.664 16.124 1.00 82.64 104 A 1 ATOM 829 N ND1 . HIS A 0 104 . -1.728 -4.317 14.018 1.00 82.64 104 A 1 ATOM 830 C CE1 . HIS A 0 104 . -1.394 -5.376 14.771 1.00 82.64 104 A 1 ATOM 831 N NE2 . HIS A 0 104 . -1.311 -5.028 16.067 1.00 82.64 104 A 1 ATOM 832 N N . GLU A 0 105 . -4.233 0.419 13.154 1.00 84.56 105 A 1 ATOM 833 C CA . GLU A 0 105 . -4.636 1.815 12.988 1.00 84.56 105 A 1 ATOM 834 C C . GLU A 0 105 . -6.163 1.975 13.028 1.00 84.56 105 A 1 ATOM 835 C CB . GLU A 0 105 . -4.061 2.336 11.658 1.00 84.56 105 A 1 ATOM 836 O O . GLU A 0 105 . -6.681 2.864 13.698 1.00 84.56 105 A 1 ATOM 837 C CG . GLU A 0 105 . -4.158 3.864 11.535 1.00 84.56 105 A 1 ATOM 838 C CD . GLU A 0 105 . -3.226 4.614 12.504 1.00 84.56 105 A 1 ATOM 839 O OE1 . GLU A 0 105 . -3.452 5.827 12.706 1.00 84.56 105 A 1 ATOM 840 O OE2 . GLU A 0 105 . -2.260 3.993 13.008 1.00 84.56 105 A 1 ATOM 841 N N . TYR A 0 106 . -6.905 1.080 12.363 1.00 84.34 106 A 1 ATOM 842 C CA . TYR A 0 106 . -8.355 1.231 12.169 1.00 84.34 106 A 1 ATOM 843 C C . TYR A 0 106 . -9.227 0.376 13.094 1.00 84.34 106 A 1 ATOM 844 C CB . TYR A 0 106 . -8.722 1.024 10.695 1.00 84.34 106 A 1 ATOM 845 O O . TYR A 0 106 . -10.449 0.474 13.018 1.00 84.34 106 A 1 ATOM 846 C CG . TYR A 0 106 . -8.154 2.095 9.790 1.00 84.34 106 A 1 ATOM 847 C CD1 . TYR A 0 106 . -8.839 3.311 9.589 1.00 84.34 106 A 1 ATOM 848 C CD2 . TYR A 0 106 . -6.899 1.889 9.198 1.00 84.34 106 A 1 ATOM 849 C CE1 . TYR A 0 106 . -8.263 4.314 8.782 1.00 84.34 106 A 1 ATOM 850 C CE2 . TYR A 0 106 . -6.332 2.878 8.380 1.00 84.34 106 A 1 ATOM 851 O OH . TYR A 0 106 . -6.447 5.021 7.369 1.00 84.34 106 A 1 ATOM 852 C CZ . TYR A 0 106 . -7.016 4.086 8.163 1.00 84.34 106 A 1 ATOM 853 N N . LYS A 0 107 . -8.652 -0.424 14.002 1.00 81.23 107 A 1 ATOM 854 C CA . LYS A 0 107 . -9.394 -1.338 14.899 1.00 81.23 107 A 1 ATOM 855 C C . LYS A 0 107 . -10.492 -0.679 15.742 1.00 81.23 107 A 1 ATOM 856 C CB . LYS A 0 107 . -8.420 -2.078 15.833 1.00 81.23 107 A 1 ATOM 857 O O . LYS A 0 107 . -11.394 -1.368 16.201 1.00 81.23 107 A 1 ATOM 858 C CG . LYS A 0 107 . -7.678 -1.128 16.787 1.00 81.23 107 A 1 ATOM 859 C CD . LYS A 0 107 . -6.746 -1.898 17.720 1.00 81.23 107 A 1 ATOM 860 C CE . LYS A 0 107 . -6.048 -0.893 18.637 1.00 81.23 107 A 1 ATOM 861 N NZ . LYS A 0 107 . -5.121 -1.575 19.569 1.00 81.23 107 A 1 ATOM 862 N N . SER A 0 108 . -10.396 0.626 16.003 1.00 79.43 108 A 1 ATOM 863 C CA . SER A 0 108 . -11.391 1.393 16.766 1.00 79.43 108 A 1 ATOM 864 C C . SER A 0 108 . -12.563 1.886 15.912 1.00 79.43 108 A 1 ATOM 865 C CB . SER A 0 108 . -10.714 2.585 17.448 1.00 79.43 108 A 1 ATOM 866 O O . SER A 0 108 . -13.514 2.451 16.453 1.00 79.43 108 A 1 ATOM 867 O OG . SER A 0 108 . -9.987 3.325 16.487 1.00 79.43 108 A 1 ATOM 868 N N . SER A 0 109 . -12.510 1.693 14.593 1.00 74.66 109 A 1 ATOM 869 C CA . SER A 0 109 . -13.563 2.130 13.686 1.00 74.66 109 A 1 ATOM 870 C C . SER A 0 109 . -14.832 1.289 13.869 1.00 74.66 109 A 1 ATOM 871 C CB . SER A 0 109 . -13.095 2.068 12.235 1.00 74.66 109 A 1 ATOM 872 O O . SER A 0 109 . -14.759 0.063 13.955 1.00 74.66 109 A 1 ATOM 873 O OG . SER A 0 109 . -12.116 3.060 12.021 1.00 74.66 109 A 1 ATOM 874 N N . PRO A 0 110 . -16.019 1.915 13.912 1.00 70.92 110 A 1 ATOM 875 C CA . PRO A 0 110 . -17.275 1.186 14.034 1.00 70.92 110 A 1 ATOM 876 C C . PRO A 0 110 . -17.542 0.334 12.787 1.00 70.92 110 A 1 ATOM 877 C CB . PRO A 0 110 . -18.344 2.257 14.258 1.00 70.92 110 A 1 ATOM 878 O O . PRO A 0 110 . -17.250 0.756 11.667 1.00 70.92 110 A 1 ATOM 879 C CG . PRO A 0 110 . -17.754 3.501 13.593 1.00 70.92 110 A 1 ATOM 880 C CD . PRO A 0 110 . -16.253 3.346 13.813 1.00 70.92 110 A 1 ATOM 881 N N . ASN A 0 111 . -18.134 -0.851 12.988 1.00 69.19 111 A 1 ATOM 882 C CA . ASN A 0 111 . -18.469 -1.822 11.932 1.00 69.19 111 A 1 ATOM 883 C C . ASN A 0 111 . -17.275 -2.224 11.052 1.00 69.19 111 A 1 ATOM 884 C CB . ASN A 0 111 . -19.678 -1.317 11.127 1.00 69.19 111 A 1 ATOM 885 O O . ASN A 0 111 . -17.432 -2.548 9.875 1.00 69.19 111 A 1 ATOM 886 C CG . ASN A 0 111 . -20.893 -1.080 11.997 1.00 69.19 111 A 1 ATOM 887 N ND2 . ASN A 0 111 . -21.710 -0.110 11.662 1.00 69.19 111 A 1 ATOM 888 O OD1 . ASN A 0 111 . -21.127 -1.749 12.989 1.00 69.19 111 A 1 ATOM 889 N N . PHE A 0 112 . -16.074 -2.176 11.622 1.00 72.37 112 A 1 ATOM 890 C CA . PHE A 0 112 . -14.850 -2.452 10.901 1.00 72.37 112 A 1 ATOM 891 C C . PHE A 0 112 . -14.481 -3.935 10.977 1.00 72.37 112 A 1 ATOM 892 C CB . PHE A 0 112 . -13.757 -1.534 11.443 1.00 72.37 112 A 1 ATOM 893 O O . PHE A 0 112 . -13.951 -4.408 11.980 1.00 72.37 112 A 1 ATOM 894 C CG . PHE A 0 112 . -12.450 -1.698 10.716 1.00 72.37 112 A 1 ATOM 895 C CD1 . PHE A 0 112 . -11.343 -2.268 11.369 1.00 72.37 112 A 1 ATOM 896 C CD2 . PHE A 0 112 . -12.367 -1.340 9.361 1.00 72.37 112 A 1 ATOM 897 C CE1 . PHE A 0 112 . -10.138 -2.451 10.675 1.00 72.37 112 A 1 ATOM 898 C CE2 . PHE A 0 112 . -11.182 -1.576 8.657 1.00 72.37 112 A 1 ATOM 899 C CZ . PHE A 0 112 . -10.062 -2.109 9.316 1.00 72.37 112 A 1 ATOM 900 N N . ASP A 0 113 . -14.737 -4.651 9.886 1.00 81.34 113 A 1 ATOM 901 C CA . ASP A 0 113 . -14.091 -5.926 9.581 1.00 81.34 113 A 1 ATOM 902 C C . ASP A 0 113 . -13.140 -5.710 8.398 1.00 81.34 113 A 1 ATOM 903 C CB . ASP A 0 113 . -15.140 -7.018 9.323 1.00 81.34 113 A 1 ATOM 904 O O . ASP A 0 113 . -13.559 -5.316 7.305 1.00 81.34 113 A 1 ATOM 905 C CG . ASP A 0 113 . -14.522 -8.409 9.113 1.00 81.34 113 A 1 ATOM 906 O OD1 . ASP A 0 113 . -13.283 -8.492 8.923 1.00 81.34 113 A 1 ATOM 907 O OD2 . ASP A 0 113 . -15.293 -9.388 9.138 1.00 81.34 113 A 1 ATOM 908 N N . ILE A 0 114 . -11.845 -5.927 8.624 1.00 83.46 114 A 1 ATOM 909 C CA . ILE A 0 114 . -10.815 -5.718 7.604 1.00 83.46 114 A 1 ATOM 910 C C . ILE A 0 114 . -10.814 -6.815 6.524 1.00 83.46 114 A 1 ATOM 911 C CB . ILE A 0 114 . -9.448 -5.530 8.286 1.00 83.46 114 A 1 ATOM 912 O O . ILE A 0 114 . -10.278 -6.621 5.431 1.00 83.46 114 A 1 ATOM 913 C CG1 . ILE A 0 114 . -8.501 -4.837 7.293 1.00 83.46 114 A 1 ATOM 914 C CG2 . ILE A 0 114 . -8.880 -6.858 8.822 1.00 83.46 114 A 1 ATOM 915 C CD1 . ILE A 0 114 . -7.222 -4.322 7.940 1.00 83.46 114 A 1 ATOM 916 N N . TYR A 0 115 . -11.430 -7.964 6.806 1.00 83.92 115 A 1 ATOM 917 C CA . TYR A 0 115 . -11.508 -9.100 5.892 1.00 83.92 115 A 1 ATOM 918 C C . TYR A 0 115 . -12.828 -9.154 5.113 1.00 83.92 115 A 1 ATOM 919 C CB . TYR A 0 115 . -11.241 -10.386 6.678 1.00 83.92 115 A 1 ATOM 920 O O . TYR A 0 115 . -12.903 -9.855 4.101 1.00 83.92 115 A 1 ATOM 921 C CG . TYR A 0 115 . -9.866 -10.418 7.319 1.00 83.92 115 A 1 ATOM 922 C CD1 . TYR A 0 115 . -8.722 -10.551 6.508 1.00 83.92 115 A 1 ATOM 923 C CD2 . TYR A 0 115 . -9.729 -10.292 8.716 1.00 83.92 115 A 1 ATOM 924 C CE1 . TYR A 0 115 . -7.444 -10.565 7.094 1.00 83.92 115 A 1 ATOM 925 C CE2 . TYR A 0 115 . -8.450 -10.326 9.308 1.00 83.92 115 A 1 ATOM 926 O OH . TYR A 0 115 . -6.060 -10.518 9.020 1.00 83.92 115 A 1 ATOM 927 C CZ . TYR A 0 115 . -7.306 -10.467 8.493 1.00 83.92 115 A 1 ATOM 928 N N . ASP A 0 116 . -13.842 -8.381 5.510 1.00 86.12 116 A 1 ATOM 929 C CA . ASP A 0 116 . -15.084 -8.259 4.747 1.00 86.12 116 A 1 ATOM 930 C C . ASP A 0 116 . -14.875 -7.387 3.496 1.00 86.12 116 A 1 ATOM 931 C CB . ASP A 0 116 . -16.249 -7.795 5.641 1.00 86.12 116 A 1 ATOM 932 O O . ASP A 0 116 . -14.525 -6.212 3.554 1.00 86.12 116 A 1 ATOM 933 C CG . ASP A 0 116 . -17.575 -7.610 4.879 1.00 86.12 116 A 1 ATOM 934 O OD1 . ASP A 0 116 . -17.657 -8.000 3.685 1.00 86.12 116 A 1 ATOM 935 O OD2 . ASP A 0 116 . -18.539 -7.062 5.455 1.00 86.12 116 A 1 ATOM 936 N N . SER A 0 117 . -15.124 -7.966 2.321 1.00 82.27 117 A 1 ATOM 937 C CA . SER A 0 117 . -15.048 -7.271 1.027 1.00 82.27 117 A 1 ATOM 938 C C . SER A 0 117 . -16.061 -6.127 0.856 1.00 82.27 117 A 1 ATOM 939 C CB . SER A 0 117 . -15.234 -8.287 -0.099 1.00 82.27 117 A 1 ATOM 940 O O . SER A 0 117 . -15.863 -5.257 0.006 1.00 82.27 117 A 1 ATOM 941 O OG . SER A 0 117 . -16.528 -8.863 -0.047 1.00 82.27 117 A 1 ATOM 942 N N . LYS A 0 118 . -17.149 -6.104 1.639 1.00 82.21 118 A 1 ATOM 943 C CA . LYS A 0 118 . -18.139 -5.015 1.611 1.00 82.21 118 A 1 ATOM 944 C C . LYS A 0 118 . -17.620 -3.760 2.304 1.00 82.21 118 A 1 ATOM 945 C CB . LYS A 0 118 . -19.441 -5.461 2.284 1.00 82.21 118 A 1 ATOM 946 O O . LYS A 0 118 . -17.929 -2.653 1.857 1.00 82.21 118 A 1 ATOM 947 C CG . LYS A 0 118 . -20.154 -6.580 1.518 1.00 82.21 118 A 1 ATOM 948 C CD . LYS A 0 118 . -21.442 -6.943 2.259 1.00 82.21 118 A 1 ATOM 949 C CE . LYS A 0 118 . -22.194 -8.043 1.511 1.00 82.21 118 A 1 ATOM 950 N NZ . LYS A 0 118 . -23.403 -8.448 2.266 1.00 82.21 118 A 1 ATOM 951 N N . THR A 0 119 . -16.839 -3.934 3.364 1.00 84.20 119 A 1 ATOM 952 C CA . THR A 0 119 . -16.242 -2.863 4.171 1.00 84.20 119 A 1 ATOM 953 C C . THR A 0 119 . -14.803 -2.580 3.758 1.00 84.20 119 A 1 ATOM 954 C CB . THR A 0 119 . -16.258 -3.238 5.657 1.00 84.20 119 A 1 ATOM 955 O O . THR A 0 119 . -14.347 -1.464 3.956 1.00 84.20 119 A 1 ATOM 956 C CG2 . THR A 0 119 . -17.677 -3.384 6.202 1.00 84.20 119 A 1 ATOM 957 O OG1 . THR A 0 119 . -15.631 -4.485 5.747 1.00 84.20 119 A 1 ATOM 958 N N . THR A 0 120 . -14.086 -3.519 3.138 1.00 87.23 120 A 1 ATOM 959 C CA . THR A 0 120 . -12.663 -3.362 2.815 1.00 87.23 120 A 1 ATOM 960 C C . THR A 0 120 . -12.351 -3.672 1.353 1.00 87.23 120 A 1 ATOM 961 C CB . THR A 0 120 . -11.775 -4.176 3.765 1.00 87.23 120 A 1 ATOM 962 O O . THR A 0 120 . -12.488 -4.795 0.870 1.00 87.23 120 A 1 ATOM 963 C CG2 . THR A 0 120 . -10.291 -3.874 3.517 1.00 87.23 120 A 1 ATOM 964 O OG1 . THR A 0 120 . -12.044 -3.781 5.088 1.00 87.23 120 A 1 ATOM 965 N N . SER A 0 121 . -11.831 -2.669 0.646 1.00 88.66 121 A 1 ATOM 966 C CA . SER A 0 121 . -11.276 -2.804 -0.702 1.00 88.66 121 A 1 ATOM 967 C C . SER A 0 121 . -9.756 -2.858 -0.623 1.00 88.66 121 A 1 ATOM 968 C CB . SER A 0 121 . -11.723 -1.621 -1.564 1.00 88.66 121 A 1 ATOM 969 O O . SER A 0 121 . -9.133 -1.857 -0.285 1.00 88.66 121 A 1 ATOM 970 O OG . SER A 0 121 . -11.125 -1.641 -2.850 1.00 88.66 121 A 1 ATOM 971 N N . PHE A 0 122 . -9.153 -3.977 -1.015 1.00 89.70 122 A 1 ATOM 972 C CA . PHE A 0 122 . -7.701 -4.109 -1.160 1.00 89.70 122 A 1 ATOM 973 C C . PHE A 0 122 . -7.305 -4.037 -2.636 1.00 89.70 122 A 1 ATOM 974 C CB . PHE A 0 122 . -7.244 -5.416 -0.513 1.00 89.70 122 A 1 ATOM 975 O O . PHE A 0 122 . -8.010 -4.574 -3.487 1.00 89.70 122 A 1 ATOM 976 C CG . PHE A 0 122 . -5.742 -5.615 -0.517 1.00 89.70 122 A 1 ATOM 977 C CD1 . PHE A 0 122 . -5.124 -6.313 -1.572 1.00 89.70 122 A 1 ATOM 978 C CD2 . PHE A 0 122 . -4.961 -5.119 0.544 1.00 89.70 122 A 1 ATOM 979 C CE1 . PHE A 0 122 . -3.736 -6.532 -1.551 1.00 89.70 122 A 1 ATOM 980 C CE2 . PHE A 0 122 . -3.572 -5.330 0.557 1.00 89.70 122 A 1 ATOM 981 C CZ . PHE A 0 122 . -2.960 -6.042 -0.488 1.00 89.70 122 A 1 ATOM 982 N N . SER A 0 123 . -6.192 -3.379 -2.951 1.00 88.53 123 A 1 ATOM 983 C CA . SER A 0 123 . -5.653 -3.338 -4.314 1.00 88.53 123 A 1 ATOM 984 C C . SER A 0 123 . -4.132 -3.268 -4.309 1.00 88.53 123 A 1 ATOM 985 C CB . SER A 0 123 . -6.245 -2.156 -5.097 1.00 88.53 123 A 1 ATOM 986 O O . SER A 0 123 . -3.551 -2.566 -3.481 1.00 88.53 123 A 1 ATOM 987 O OG . SER A 0 123 . -5.982 -0.908 -4.466 1.00 88.53 123 A 1 ATOM 988 N N . VAL A 0 124 . -3.496 -3.934 -5.269 1.00 87.73 124 A 1 ATOM 989 C CA . VAL A 0 124 . -2.070 -3.766 -5.559 1.00 87.73 124 A 1 ATOM 990 C C . VAL A 0 124 . -1.925 -2.870 -6.782 1.00 87.73 124 A 1 ATOM 991 C CB . VAL A 0 124 . -1.355 -5.115 -5.726 1.00 87.73 124 A 1 ATOM 992 O O . VAL A 0 124 . -2.672 -2.977 -7.754 1.00 87.73 124 A 1 ATOM 993 C CG1 . VAL A 0 124 . 0.150 -4.928 -5.962 1.00 87.73 124 A 1 ATOM 994 C CG2 . VAL A 0 124 . -1.531 -5.946 -4.453 1.00 87.73 124 A 1 ATOM 995 N N . LYS A 0 125 . -1.002 -1.916 -6.713 1.00 85.11 125 A 1 ATOM 996 C CA . LYS A 0 125 . -0.772 -0.910 -7.749 1.00 85.11 125 A 1 ATOM 997 C C . LYS A 0 125 . 0.713 -0.791 -8.021 1.00 85.11 125 A 1 ATOM 998 C CB . LYS A 0 125 . -1.386 0.434 -7.329 1.00 85.11 125 A 1 ATOM 999 O O . LYS A 0 125 . 1.523 -0.993 -7.125 1.00 85.11 125 A 1 ATOM 1000 C CG . LYS A 0 125 . -2.901 0.284 -7.132 1.00 85.11 125 A 1 ATOM 1001 C CD . LYS A 0 125 . -3.578 1.612 -6.833 1.00 85.11 125 A 1 ATOM 1002 C CE . LYS A 0 125 . -5.091 1.401 -6.801 1.00 85.11 125 A 1 ATOM 1003 N NZ . LYS A 0 125 . -5.802 2.428 -7.591 1.00 85.11 125 A 1 ATOM 1004 N N . LEU A 0 126 . 1.064 -0.421 -9.245 1.00 82.27 126 A 1 ATOM 1005 C CA . LEU A 0 126 . 2.437 -0.074 -9.583 1.00 82.27 126 A 1 ATOM 1006 C C . LEU A 0 126 . 2.602 1.438 -9.469 1.00 82.27 126 A 1 ATOM 1007 C CB . LEU A 0 126 . 2.798 -0.600 -10.977 1.00 82.27 126 A 1 ATOM 1008 O O . LEU A 0 126 . 1.783 2.212 -9.968 1.00 82.27 126 A 1 ATOM 1009 C CG . LEU A 0 126 . 2.727 -2.131 -11.130 1.00 82.27 126 A 1 ATOM 1010 C CD1 . LEU A 0 126 . 2.822 -2.489 -12.610 1.00 82.27 126 A 1 ATOM 1011 C CD2 . LEU A 0 126 . 3.874 -2.824 -10.398 1.00 82.27 126 A 1 ATOM 1012 N N . GLY A 0 127 . 3.665 1.853 -8.803 1.00 81.16 127 A 1 ATOM 1013 C CA . GLY A 0 127 . 4.154 3.217 -8.785 1.00 81.16 127 A 1 ATOM 1014 C C . GLY A 0 127 . 5.517 3.257 -9.448 1.00 81.16 127 A 1 ATOM 1015 O O . GLY A 0 127 . 6.357 2.399 -9.194 1.00 81.16 127 A 1 ATOM 1016 N N . CYS A 0 128 . 5.763 4.259 -10.275 1.00 79.17 128 A 1 ATOM 1017 C CA . CYS A 0 128 . 7.103 4.576 -10.727 1.00 79.17 128 A 1 ATOM 1018 C C . CYS A 0 128 . 7.585 5.866 -10.082 1.00 79.17 128 A 1 ATOM 1019 C CB . CYS A 0 128 . 7.191 4.567 -12.251 1.00 79.17 128 A 1 ATOM 1020 O O . CYS A 0 128 . 6.794 6.778 -9.855 1.00 79.17 128 A 1 ATOM 1021 S SG . CYS A 0 128 . 6.098 5.836 -12.916 1.00 79.17 128 A 1 ATOM 1022 N N . TYR A 0 129 . 8.874 5.942 -9.776 1.00 76.14 129 A 1 ATOM 1023 C CA . TYR A 0 129 . 9.495 7.160 -9.272 1.00 76.14 129 A 1 ATOM 1024 C C . TYR A 0 129 . 10.718 7.526 -10.104 1.00 76.14 129 A 1 ATOM 1025 C CB . TYR A 0 129 . 9.803 7.048 -7.776 1.00 76.14 129 A 1 ATOM 1026 O O . TYR A 0 129 . 11.467 6.665 -10.568 1.00 76.14 129 A 1 ATOM 1027 C CG . TYR A 0 129 . 10.840 5.999 -7.427 1.00 76.14 129 A 1 ATOM 1028 C CD1 . TYR A 0 129 . 10.459 4.651 -7.280 1.00 76.14 129 A 1 ATOM 1029 C CD2 . TYR A 0 129 . 12.188 6.372 -7.268 1.00 76.14 129 A 1 ATOM 1030 C CE1 . TYR A 0 129 . 11.416 3.679 -6.939 1.00 76.14 129 A 1 ATOM 1031 C CE2 . TYR A 0 129 . 13.151 5.402 -6.935 1.00 76.14 129 A 1 ATOM 1032 O OH . TYR A 0 129 . 13.672 3.120 -6.389 1.00 76.14 129 A 1 ATOM 1033 C CZ . TYR A 0 129 . 12.760 4.057 -6.755 1.00 76.14 129 A 1 ATOM 1034 N N . GLU A 0 130 . 10.901 8.818 -10.313 1.00 69.95 130 A 1 ATOM 1035 C CA . GLU A 0 130 . 12.094 9.394 -10.903 1.00 69.95 130 A 1 ATOM 1036 C C . GLU A 0 130 . 13.101 9.769 -9.823 1.00 69.95 130 A 1 ATOM 1037 C CB . GLU A 0 130 . 11.727 10.620 -11.742 1.00 69.95 130 A 1 ATOM 1038 O O . GLU A 0 130 . 12.774 9.922 -8.645 1.00 69.95 130 A 1 ATOM 1039 C CG . GLU A 0 130 . 11.109 10.209 -13.074 1.00 69.95 130 A 1 ATOM 1040 C CD . GLU A 0 130 . 11.010 11.357 -14.090 1.00 69.95 130 A 1 ATOM 1041 O OE1 . GLU A 0 130 . 10.025 11.357 -14.861 1.00 69.95 130 A 1 ATOM 1042 O OE2 . GLU A 0 130 . 11.977 12.139 -14.178 1.00 69.95 130 A 1 ATOM 1043 N N . ASN A 0 131 . 14.347 9.950 -10.252 1.00 63.01 131 A 1 ATOM 1044 C CA . ASN A 0 131 . 15.417 10.413 -9.379 1.00 63.01 131 A 1 ATOM 1045 C C . ASN A 0 131 . 15.137 11.814 -8.813 1.00 63.01 131 A 1 ATOM 1046 C CB . ASN A 0 131 . 16.728 10.391 -10.183 1.00 63.01 131 A 1 ATOM 1047 O O . ASN A 0 131 . 15.642 12.143 -7.751 1.00 63.01 131 A 1 ATOM 1048 C CG . ASN A 0 131 . 17.278 8.993 -10.411 1.00 63.01 131 A 1 ATOM 1049 N ND2 . ASN A 0 131 . 18.204 8.854 -11.329 1.00 63.01 131 A 1 ATOM 1050 O OD1 . ASN A 0 131 . 16.918 8.011 -9.787 1.00 63.01 131 A 1 ATOM 1051 N N . ASP A 0 132 . 14.337 12.642 -9.481 1.00 59.67 132 A 1 ATOM 1052 C CA . ASP A 0 132 . 13.986 13.988 -9.014 1.00 59.67 132 A 1 ATOM 1053 C C . ASP A 0 132 . 12.836 14.004 -7.980 1.00 59.67 132 A 1 ATOM 1054 C CB . ASP A 0 132 . 13.694 14.872 -10.237 1.00 59.67 132 A 1 ATOM 1055 O O . ASP A 0 132 . 12.412 15.070 -7.533 1.00 59.67 132 A 1 ATOM 1056 C CG . ASP A 0 132 . 12.389 14.510 -10.951 1.00 59.67 132 A 1 ATOM 1057 O OD1 . ASP A 0 132 . 11.812 13.453 -10.603 1.00 59.67 132 A 1 ATOM 1058 O OD2 . ASP A 0 132 . 11.960 15.324 -11.793 1.00 59.67 132 A 1 ATOM 1059 N N . GLY A 0 133 . 12.329 12.835 -7.570 1.00 56.01 133 A 1 ATOM 1060 C CA . GLY A 0 133 . 11.205 12.719 -6.641 1.00 56.01 133 A 1 ATOM 1061 C C . GLY A 0 133 . 9.831 12.866 -7.295 1.00 56.01 133 A 1 ATOM 1062 O O . GLY A 0 133 . 8.815 12.895 -6.583 1.00 56.01 133 A 1 ATOM 1063 N N . MET A 0 134 . 9.760 12.935 -8.628 1.00 61.51 134 A 1 ATOM 1064 C CA . MET A 0 134 . 8.512 12.725 -9.347 1.00 61.51 134 A 1 ATOM 1065 C C . MET A 0 134 . 8.085 11.267 -9.225 1.00 61.51 134 A 1 ATOM 1066 C CB . MET A 0 134 . 8.611 13.192 -10.807 1.00 61.51 134 A 1 ATOM 1067 O O . MET A 0 134 . 8.895 10.352 -9.140 1.00 61.51 134 A 1 ATOM 1068 C CG . MET A 0 134 . 8.706 14.720 -10.864 1.00 61.51 134 A 1 ATOM 1069 S SD . MET A 0 134 . 7.183 15.566 -10.326 1.00 61.51 134 A 1 ATOM 1070 C CE . MET A 0 134 . 6.236 15.413 -11.865 1.00 61.51 134 A 1 ATOM 1071 N N . PHE A 0 135 . 6.778 11.049 -9.168 1.00 66.53 135 A 1 ATOM 1072 C CA . PHE A 0 135 . 6.206 9.714 -9.105 1.00 66.53 135 A 1 ATOM 1073 C C . PHE A 0 135 . 4.905 9.700 -9.887 1.00 66.53 135 A 1 ATOM 1074 C CB . PHE A 0 135 . 6.045 9.246 -7.647 1.00 66.53 135 A 1 ATOM 1075 O O . PHE A 0 135 . 4.130 10.660 -9.809 1.00 66.53 135 A 1 ATOM 1076 C CG . PHE A 0 135 . 4.740 8.540 -7.306 1.00 66.53 135 A 1 ATOM 1077 C CD1 . PHE A 0 135 . 3.672 9.285 -6.772 1.00 66.53 135 A 1 ATOM 1078 C CD2 . PHE A 0 135 . 4.595 7.152 -7.487 1.00 66.53 135 A 1 ATOM 1079 C CE1 . PHE A 0 135 . 2.492 8.642 -6.365 1.00 66.53 135 A 1 ATOM 1080 C CE2 . PHE A 0 135 . 3.419 6.507 -7.074 1.00 66.53 135 A 1 ATOM 1081 C CZ . PHE A 0 135 . 2.386 7.249 -6.480 1.00 66.53 135 A 1 ATOM 1082 N N . MET A 0 136 . 4.684 8.616 -10.622 1.00 62.72 136 A 1 ATOM 1083 C CA . MET A 0 136 . 3.441 8.341 -11.328 1.00 62.72 136 A 1 ATOM 1084 C C . MET A 0 136 . 2.916 6.972 -10.910 1.00 62.72 136 A 1 ATOM 1085 C CB . MET A 0 136 . 3.610 8.418 -12.855 1.00 62.72 136 A 1 ATOM 1086 O O . MET A 0 136 . 3.676 6.045 -10.647 1.00 62.72 136 A 1 ATOM 1087 C CG . MET A 0 136 . 4.255 9.713 -13.357 1.00 62.72 136 A 1 ATOM 1088 S SD . MET A 0 136 . 4.478 9.759 -15.156 1.00 62.72 136 A 1 ATOM 1089 C CE . MET A 0 136 . 6.020 8.814 -15.326 1.00 62.72 136 A 1 ATOM 1090 N N . LEU A 0 137 . 1.599 6.824 -10.866 1.00 58.87 137 A 1 ATOM 1091 C CA . LEU A 0 137 . 0.969 5.520 -10.682 1.00 58.87 137 A 1 ATOM 1092 C C . LEU A 0 137 . 0.705 4.897 -12.045 1.00 58.87 137 A 1 ATOM 1093 C CB . LEU A 0 137 . -0.319 5.688 -9.876 1.00 58.87 137 A 1 ATOM 1094 O O . LEU A 0 137 . -0.025 5.467 -12.852 1.00 58.87 137 A 1 ATOM 1095 C CG . LEU A 0 137 . -0.010 5.973 -8.403 1.00 58.87 137 A 1 ATOM 1096 C CD1 . LEU A 0 137 . -1.226 6.628 -7.773 1.00 58.87 137 A 1 ATOM 1097 C CD2 . LEU A 0 137 . 0.348 4.680 -7.657 1.00 58.87 137 A 1 ATOM 1098 N N . ILE A 0 138 . 1.258 3.711 -12.280 1.00 58.13 138 A 1 ATOM 1099 C CA . ILE A 0 138 . 1.092 2.943 -13.516 1.00 58.13 138 A 1 ATOM 1100 C C . ILE A 0 138 . 0.084 1.804 -13.263 1.00 58.13 138 A 1 ATOM 1101 C CB . ILE A 0 138 . 2.462 2.495 -14.090 1.00 58.13 138 A 1 ATOM 1102 O O . ILE A 0 138 . 0.443 0.637 -13.204 1.00 58.13 138 A 1 ATOM 1103 C CG1 . ILE A 0 138 . 3.465 3.675 -14.193 1.00 58.13 138 A 1 ATOM 1104 C CG2 . ILE A 0 138 . 2.242 1.873 -15.485 1.00 58.13 138 A 1 ATOM 1105 C CD1 . ILE A 0 138 . 4.806 3.300 -14.843 1.00 58.13 138 A 1 ATOM 1106 N N . ASN A 0 139 . -1.176 2.175 -13.003 1.00 48.79 139 A 1 ATOM 1107 C CA . ASN A 0 139 . -2.432 1.384 -13.043 1.00 48.79 139 A 1 ATOM 1108 C C . ASN A 0 139 . -3.531 2.317 -12.454 1.00 48.79 139 A 1 ATOM 1109 C CB . ASN A 0 139 . -2.333 0.062 -12.210 1.00 48.79 139 A 1 ATOM 1110 O O . ASN A 0 139 . -3.544 2.542 -11.241 1.00 48.79 139 A 1 ATOM 1111 C CG . ASN A 0 139 . -2.709 -1.190 -12.995 1.00 48.79 139 A 1 ATOM 1112 N ND2 . ASN A 0 139 . -2.466 -2.367 -12.465 1.00 48.79 139 A 1 ATOM 1113 O OD1 . ASN A 0 139 . -3.277 -1.135 -14.067 1.00 48.79 139 A 1 ATOM 1114 N N . ALA A 0 140 . -4.415 3.029 -13.172 1.00 38.78 140 A 1 ATOM 1115 C CA . ALA A 0 140 . -5.262 2.705 -14.331 1.00 38.78 140 A 1 ATOM 1116 C C . ALA A 0 140 . -6.114 1.435 -14.103 1.00 38.78 140 A 1 ATOM 1117 C CB . ALA A 0 140 . -4.469 2.745 -15.650 1.00 38.78 140 A 1 ATOM 1118 O O . ALA A 0 140 . -5.842 0.402 -14.680 1.00 38.78 140 A 1 ATOM 1119 N N . ALA A 0 141 . -7.068 1.388 -13.162 1.00 36.92 141 A 1 ATOM 1120 C CA . ALA A 0 141 . -8.468 1.665 -13.527 1.00 36.92 141 A 1 ATOM 1121 C C . ALA A 0 141 . -9.417 2.057 -12.365 1.00 36.92 141 A 1 ATOM 1122 C CB . ALA A 0 141 . -9.027 0.418 -14.237 1.00 36.92 141 A 1 ATOM 1123 O O . ALA A 0 141 . -10.588 2.309 -12.617 1.00 36.92 141 A 1 ATOM 1124 N N . SER A 0 142 . -8.988 2.150 -11.100 1.00 33.48 142 A 1 ATOM 1125 C CA . SER A 0 142 . -9.887 2.646 -10.033 1.00 33.48 142 A 1 ATOM 1126 C C . SER A 0 142 . -9.154 3.116 -8.766 1.00 33.48 142 A 1 ATOM 1127 C CB . SER A 0 142 . -10.988 1.616 -9.714 1.00 33.48 142 A 1 ATOM 1128 O O . SER A 0 142 . -8.679 2.363 -7.911 1.00 33.48 142 A 1 ATOM 1129 O OG . SER A 0 142 . -10.427 0.343 -9.480 1.00 33.48 142 A 1 ATOM 1130 N N . GLY A 0 143 . -9.055 4.435 -8.617 1.00 35.79 143 A 1 ATOM 1131 C CA . GLY A 0 143 . -9.042 5.113 -7.319 1.00 35.79 143 A 1 ATOM 1132 C C . GLY A 0 143 . -7.759 5.075 -6.487 1.00 35.79 143 A 1 ATOM 1133 O O . GLY A 0 143 . -7.812 4.779 -5.297 1.00 35.79 143 A 1 ATOM 1134 N N . LEU A 0 144 . -6.611 5.411 -7.070 1.00 41.92 144 A 1 ATOM 1135 C CA . LEU A 0 144 . -5.696 6.259 -6.287 1.00 41.92 144 A 1 ATOM 1136 C C . LEU A 0 144 . -5.875 7.745 -6.617 1.00 41.92 144 A 1 ATOM 1137 C CB . LEU A 0 144 . -4.235 5.794 -6.398 1.00 41.92 144 A 1 ATOM 1138 O O . LEU A 0 144 . -5.390 8.573 -5.854 1.00 41.92 144 A 1 ATOM 1139 C CG . LEU A 0 144 . -3.741 4.939 -5.216 1.00 41.92 144 A 1 ATOM 1140 C CD1 . LEU A 0 144 . -2.359 4.349 -5.463 1.00 41.92 144 A 1 ATOM 1141 C CD2 . LEU A 0 144 . -3.566 5.783 -3.969 1.00 41.92 144 A 1 ATOM 1142 N N . SER A 0 145 . -6.638 8.081 -7.667 1.00 38.00 145 A 1 ATOM 1143 C CA . SER A 0 145 . -7.237 9.404 -7.745 1.00 38.00 145 A 1 ATOM 1144 C C . SER A 0 145 . -8.149 9.547 -6.526 1.00 38.00 145 A 1 ATOM 1145 C CB . SER A 0 145 . -7.971 9.620 -9.083 1.00 38.00 145 A 1 ATOM 1146 O O . SER A 0 145 . -9.096 8.776 -6.343 1.00 38.00 145 A 1 ATOM 1147 O OG . SER A 0 145 . -9.065 8.741 -9.251 1.00 38.00 145 A 1 ATOM 1148 N N . SER A 0 146 . -7.840 10.502 -5.651 1.00 37.31 146 A 1 ATOM 1149 C CA . SER A 0 146 . -8.917 11.314 -5.099 1.00 37.31 146 A 1 ATOM 1150 C C . SER A 0 146 . -9.759 11.727 -6.293 1.00 37.31 146 A 1 ATOM 1151 C CB . SER A 0 146 . -8.338 12.563 -4.419 1.00 37.31 146 A 1 ATOM 1152 O O . SER A 0 146 . -9.182 12.119 -7.310 1.00 37.31 146 A 1 ATOM 1153 O OG . SER A 0 146 . -7.379 13.186 -5.256 1.00 37.31 146 A 1 ATOM 1154 N N . ASP A 0 147 . -11.071 11.565 -6.228 1.00 34.36 147 A 1 ATOM 1155 C CA . ASP A 0 147 . -11.939 12.259 -7.163 1.00 34.36 147 A 1 ATOM 1156 C C . ASP A 0 147 . -11.466 13.718 -7.191 1.00 34.36 147 A 1 ATOM 1157 C CB . ASP A 0 147 . -13.396 12.090 -6.715 1.00 34.36 147 A 1 ATOM 1158 O O . ASP A 0 147 . -11.543 14.436 -6.197 1.00 34.36 147 A 1 ATOM 1159 C CG . ASP A 0 147 . -13.802 10.612 -6.752 1.00 34.36 147 A 1 ATOM 1160 O OD1 . ASP A 0 147 . -13.596 9.980 -7.814 1.00 34.36 147 A 1 ATOM 1161 O OD2 . ASP A 0 147 . -14.211 10.089 -5.691 1.00 34.36 147 A 1 ATOM 1162 N N . LEU A 0 148 . -10.802 14.083 -8.289 1.00 29.45 148 A 1 ATOM 1163 C CA . LEU A 0 148 . -10.535 15.457 -8.657 1.00 29.45 148 A 1 ATOM 1164 C C . LEU A 0 148 . -11.910 15.979 -9.058 1.00 29.45 148 A 1 ATOM 1165 C CB . LEU A 0 148 . -9.511 15.504 -9.813 1.00 29.45 148 A 1 ATOM 1166 O O . LEU A 0 148 . -12.295 15.887 -10.221 1.00 29.45 148 A 1 ATOM 1167 C CG . LEU A 0 148 . -8.040 15.360 -9.383 1.00 29.45 148 A 1 ATOM 1168 C CD1 . LEU A 0 148 . -7.181 14.903 -10.567 1.00 29.45 148 A 1 ATOM 1169 C CD2 . LEU A 0 148 . -7.470 16.689 -8.880 1.00 29.45 148 A 1 ATOM 1170 N N . SER A 0 149 . -12.690 16.383 -8.060 1.00 30.90 149 A 1 ATOM 1171 C CA . SER A 0 149 . -13.679 17.437 -8.239 1.00 30.90 149 A 1 ATOM 1172 C C . SER A 0 149 . -12.949 18.767 -8.328 1.00 30.90 149 A 1 ATOM 1173 C CB . SER A 0 149 . -14.679 17.440 -7.089 1.00 30.90 149 A 1 ATOM 1174 O O . SER A 0 149 . -12.095 18.988 -7.435 1.00 30.90 149 A 1 ATOM 1175 O OG . SER A 0 149 . -13.960 17.700 -5.904 1.00 30.90 149 A 1 ATOM 1176 O OXT . SER A 0 149 . -13.282 19.522 -9.258 1.00 30.90 149 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 75.80 # loop_ _atom_type.symbol C N O S #