# By using this file you agree to the legally binding terms of use found at # https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. # To request access to the AlphaFold 3 model parameters, follow the process set # out at https://github.com/google-deepmind/alphafold3. You may only use these if # received directly from Google. Use is subject to terms of use available at # https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. data_spkb38184 # _entry.id spkb38184 # loop_ _atom_type.symbol C N O S # loop_ _audit_author.name _audit_author.pdbx_ordinal "Google DeepMind" 1 "Isomorphic Labs" 2 # _audit_conform.dict_location https://raw.githubusercontent.com/ihmwg/ModelCIF/master/dist/mmcif_ma.dic _audit_conform.dict_name mmcif_ma.dic _audit_conform.dict_version 1.4.5 # loop_ _chem_comp.formula _chem_comp.formula_weight _chem_comp.id _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_smiles _chem_comp.pdbx_synonyms _chem_comp.type "C3 H7 N O2" 89.093 ALA y ALANINE C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N4 O2" 175.209 ARG y ARGININE C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N ? "L-PEPTIDE LINKING" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "L-PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O2" 165.189 PHE y PHENYLALANINE c1ccc(cc1)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" # _citation.book_publisher ? _citation.country UK _citation.id primary _citation.journal_full Nature _citation.journal_id_ASTM NATUAS _citation.journal_id_CSD 0006 _citation.journal_id_ISSN 0028-0836 _citation.journal_volume 630 _citation.page_first 493 _citation.page_last 500 _citation.pdbx_database_id_DOI 10.1038/s41586-024-07487-w _citation.pdbx_database_id_PubMed 38718835 _citation.title "Accurate structure prediction of biomolecular interactions with AlphaFold 3" _citation.year 2024 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary "Google DeepMind" 1 primary "Isomorphic Labs" 2 # _entity.id 1 _entity.pdbx_description . _entity.type polymer # _entity_poly.entity_id 1 _entity_poly.pdbx_strand_id A _entity_poly.type polypeptide(L) # loop_ _entity_poly_seq.entity_id _entity_poly_seq.hetero _entity_poly_seq.mon_id _entity_poly_seq.num 1 n MET 1 1 n ASP 2 1 n LYS 3 1 n PRO 4 1 n LYS 5 1 n ALA 6 1 n TYR 7 1 n CYS 8 1 n ARG 9 1 n LEU 10 1 n PHE 11 1 n LEU 12 1 n PRO 13 1 n SER 14 1 n PHE 15 1 n LEU 16 1 n LEU 17 1 n LEU 18 1 n SER 19 1 n ALA 20 # _ma_data.content_type "model coordinates" _ma_data.id 1 _ma_data.name Model # _ma_model_list.data_id 1 _ma_model_list.model_group_id 1 _ma_model_list.model_group_name "AlphaFold-beta-20231127 (3.0.0 @ 2025-07-04 16:50:46)" _ma_model_list.model_id 1 _ma_model_list.model_name "Top ranked model" _ma_model_list.model_type "Ab initio model" _ma_model_list.ordinal_id 1 # loop_ _ma_protocol_step.method_type _ma_protocol_step.ordinal_id _ma_protocol_step.protocol_id _ma_protocol_step.step_id "coevolution MSA" 1 1 1 "template search" 2 1 2 modeling 3 1 3 # loop_ _ma_qa_metric.id _ma_qa_metric.mode _ma_qa_metric.name _ma_qa_metric.software_group_id _ma_qa_metric.type 1 global pLDDT 1 pLDDT 2 local pLDDT 1 pLDDT # _ma_qa_metric_global.metric_id 1 _ma_qa_metric_global.metric_value 84.94 _ma_qa_metric_global.model_id 1 _ma_qa_metric_global.ordinal_id 1 # loop_ _ma_qa_metric_local.label_asym_id _ma_qa_metric_local.label_comp_id _ma_qa_metric_local.label_seq_id _ma_qa_metric_local.metric_id _ma_qa_metric_local.metric_value _ma_qa_metric_local.model_id _ma_qa_metric_local.ordinal_id A MET 1 2 76.82 1 1 A ASP 2 2 75.52 1 2 A LYS 3 2 75.34 1 3 A PRO 4 2 83.06 1 4 A LYS 5 2 77.93 1 5 A ALA 6 2 88.76 1 6 A TYR 7 2 84.08 1 7 A CYS 8 2 87.77 1 8 A ARG 9 2 81.03 1 9 A LEU 10 2 87.39 1 10 A PHE 11 2 88.94 1 11 A LEU 12 2 87.37 1 12 A PRO 13 2 91.21 1 13 A SER 14 2 91.29 1 14 A PHE 15 2 87.85 1 15 A LEU 16 2 88.61 1 16 A LEU 17 2 88.97 1 17 A LEU 18 2 89.45 1 18 A SER 19 2 88.98 1 19 A ALA 20 2 85.11 1 20 # _ma_software_group.group_id 1 _ma_software_group.ordinal_id 1 _ma_software_group.software_id 1 # _ma_target_entity.data_id 1 _ma_target_entity.entity_id 1 _ma_target_entity.origin . # _ma_target_entity_instance.asym_id A _ma_target_entity_instance.details . _ma_target_entity_instance.entity_id 1 # loop_ _pdbx_data_usage.details _pdbx_data_usage.id _pdbx_data_usage.type _pdbx_data_usage.url ;Non-commercial use only, by using this file you agree to the terms of use found at https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md. To request access to the AlphaFold 3 model parameters, follow the process set out at https://github.com/google-deepmind/alphafold3. You may only use these if received directly from Google. Use is subject to terms of use available at https://github.com/google-deepmind/alphafold3/blob/main/WEIGHTS_TERMS_OF_USE.md. ; 1 license https://github.com/google-deepmind/alphafold3/blob/main/OUTPUT_TERMS_OF_USE.md ;AlphaFold 3 and its output are not intended for, have not been validated for, and are not approved for clinical use. They are provided "as-is" without any warranty of any kind, whether expressed or implied. No warranty is given that use shall not infringe the rights of any third party. ; 2 disclaimer ? # loop_ _pdbx_poly_seq_scheme.asym_id _pdbx_poly_seq_scheme.auth_seq_num _pdbx_poly_seq_scheme.entity_id _pdbx_poly_seq_scheme.hetero _pdbx_poly_seq_scheme.mon_id _pdbx_poly_seq_scheme.pdb_ins_code _pdbx_poly_seq_scheme.pdb_seq_num _pdbx_poly_seq_scheme.pdb_strand_id _pdbx_poly_seq_scheme.seq_id A 1 1 n MET . 1 A 1 A 2 1 n ASP . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n TYR . 7 A 7 A 8 1 n CYS . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _software.classification other _software.date ? _software.description "Structure prediction" _software.name AlphaFold _software.pdbx_ordinal 1 _software.type package _software.version "AlphaFold-beta-20231127 (9ceee3b5f7825b611ab42eaad843248507ced2da1e745fa3b3d93c6c4ad3ca74)" # _struct_asym.entity_id 1 _struct_asym.id A # 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 1 1 ? -14.681 5.650 11.935 1.00 81.14 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.233 5.844 12.123 1.00 83.88 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.447 4.665 11.556 1.00 84.12 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.774 3.949 12.285 1.00 81.47 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.918 5.997 13.610 1.00 81.08 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.353 7.340 14.156 1.00 75.22 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.998 7.489 15.907 1.00 66.32 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.332 9.218 16.153 1.00 61.34 1 A 1 ATOM 9 N N . ASP A 1 2 ? -12.543 4.479 10.271 1.00 78.54 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -11.854 3.380 9.610 1.00 81.45 2 A 1 ATOM 11 C C . ASP A 1 2 ? -10.811 3.916 8.645 1.00 83.31 2 A 1 ATOM 12 O O . ASP A 1 2 ? -10.973 5.001 8.082 1.00 80.62 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -12.860 2.502 8.867 1.00 78.53 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -13.741 1.716 9.819 1.00 69.56 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -13.699 1.979 11.033 1.00 66.01 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -14.475 0.849 9.336 1.00 66.15 2 A 1 ATOM 17 N N . LYS A 1 3 ? -9.746 3.155 8.447 1.00 81.52 3 A 1 ATOM 18 C CA . LYS A 1 3 ? -8.682 3.535 7.529 1.00 84.15 3 A 1 ATOM 19 C C . LYS A 1 3 ? -8.430 2.431 6.510 1.00 84.62 3 A 1 ATOM 20 O O . LYS A 1 3 ? -8.480 1.250 6.851 1.00 83.26 3 A 1 ATOM 21 C CB . LYS A 1 3 ? -7.402 3.848 8.297 1.00 80.80 3 A 1 ATOM 22 C CG . LYS A 1 3 ? -6.822 2.659 9.030 1.00 72.84 3 A 1 ATOM 23 C CD . LYS A 1 3 ? -5.561 3.044 9.768 1.00 69.78 3 A 1 ATOM 24 C CE . LYS A 1 3 ? -4.949 1.845 10.458 1.00 63.69 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? -3.720 2.222 11.206 1.00 57.36 3 A 1 ATOM 26 N N . PRO A 1 4 ? -8.130 2.791 5.272 1.00 82.85 4 A 1 ATOM 27 C CA . PRO A 1 4 ? -7.850 1.803 4.233 1.00 84.92 4 A 1 ATOM 28 C C . PRO A 1 4 ? -6.477 1.166 4.436 1.00 86.27 4 A 1 ATOM 29 O O . PRO A 1 4 ? -5.470 1.641 3.907 1.00 83.50 4 A 1 ATOM 30 C CB . PRO A 1 4 ? -7.905 2.621 2.944 1.00 81.61 4 A 1 ATOM 31 C CG . PRO A 1 4 ? -7.561 4.010 3.359 1.00 79.33 4 A 1 ATOM 32 C CD . PRO A 1 4 ? -8.070 4.154 4.774 1.00 82.95 4 A 1 ATOM 33 N N . LYS A 1 5 ? -6.439 0.107 5.207 1.00 84.63 5 A 1 ATOM 34 C CA . LYS A 1 5 ? -5.186 -0.587 5.502 1.00 85.62 5 A 1 ATOM 35 C C . LYS A 1 5 ? -4.511 -1.080 4.227 1.00 86.41 5 A 1 ATOM 36 O O . LYS A 1 5 ? -3.293 -1.003 4.095 1.00 86.18 5 A 1 ATOM 37 C CB . LYS A 1 5 ? -5.447 -1.753 6.449 1.00 84.55 5 A 1 ATOM 38 C CG . LYS A 1 5 ? -5.833 -1.296 7.842 1.00 76.26 5 A 1 ATOM 39 C CD . LYS A 1 5 ? -5.872 -2.455 8.819 1.00 72.61 5 A 1 ATOM 40 C CE . LYS A 1 5 ? -7.064 -3.354 8.582 1.00 66.31 5 A 1 ATOM 41 N NZ . LYS A 1 5 ? -7.176 -4.388 9.629 1.00 58.82 5 A 1 ATOM 42 N N . ALA A 1 6 ? -5.307 -1.579 3.294 1.00 87.41 6 A 1 ATOM 43 C CA . ALA A 1 6 ? -4.775 -2.056 2.022 1.00 89.15 6 A 1 ATOM 44 C C . ALA A 1 6 ? -4.145 -0.918 1.223 1.00 90.50 6 A 1 ATOM 45 O O . ALA A 1 6 ? -3.102 -1.093 0.598 1.00 89.23 6 A 1 ATOM 46 C CB . ALA A 1 6 ? -5.883 -2.721 1.221 1.00 87.52 6 A 1 ATOM 47 N N . TYR A 1 7 ? -4.764 0.241 1.272 1.00 87.37 7 A 1 ATOM 48 C CA . TYR A 1 7 ? -4.266 1.407 0.550 1.00 88.19 7 A 1 ATOM 49 C C . TYR A 1 7 ? -2.919 1.864 1.108 1.00 89.85 7 A 1 ATOM 50 O O . TYR A 1 7 ? -1.986 2.154 0.361 1.00 89.68 7 A 1 ATOM 51 C CB . TYR A 1 7 ? -5.293 2.538 0.644 1.00 88.05 7 A 1 ATOM 52 C CG . TYR A 1 7 ? -5.505 3.241 -0.675 1.00 83.18 7 A 1 ATOM 53 C CD1 . TYR A 1 7 ? -4.676 4.283 -1.068 1.00 81.82 7 A 1 ATOM 54 C CD2 . TYR A 1 7 ? -6.539 2.858 -1.521 1.00 81.38 7 A 1 ATOM 55 C CE1 . TYR A 1 7 ? -4.870 4.925 -2.279 1.00 79.52 7 A 1 ATOM 56 C CE2 . TYR A 1 7 ? -6.745 3.498 -2.739 1.00 81.24 7 A 1 ATOM 57 C CZ . TYR A 1 7 ? -5.906 4.534 -3.110 1.00 80.84 7 A 1 ATOM 58 O OH . TYR A 1 7 ? -6.101 5.174 -4.313 1.00 77.83 7 A 1 ATOM 59 N N . CYS A 1 8 ? -2.805 1.917 2.415 1.00 89.50 8 A 1 ATOM 60 C CA . CYS A 1 8 ? -1.567 2.344 3.061 1.00 89.50 8 A 1 ATOM 61 C C . CYS A 1 8 ? -0.485 1.269 3.001 1.00 89.94 8 A 1 ATOM 62 O O . CYS A 1 8 ? 0.699 1.579 2.932 1.00 88.50 8 A 1 ATOM 63 C CB . CYS A 1 8 ? -1.849 2.719 4.516 1.00 88.36 8 A 1 ATOM 64 S SG . CYS A 1 8 ? -2.924 4.160 4.649 1.00 80.81 8 A 1 ATOM 65 N N . ARG A 1 9 ? -0.900 0.020 3.037 1.00 90.03 9 A 1 ATOM 66 C CA . ARG A 1 9 ? 0.044 -1.098 3.019 1.00 90.20 9 A 1 ATOM 67 C C . ARG A 1 9 ? 0.461 -1.504 1.610 1.00 91.41 9 A 1 ATOM 68 O O . ARG A 1 9 ? 1.329 -2.361 1.455 1.00 90.29 9 A 1 ATOM 69 C CB . ARG A 1 9 ? -0.562 -2.300 3.738 1.00 89.52 9 A 1 ATOM 70 C CG . ARG A 1 9 ? -0.651 -2.089 5.240 1.00 82.62 9 A 1 ATOM 71 C CD . ARG A 1 9 ? -1.312 -3.279 5.897 1.00 79.85 9 A 1 ATOM 72 N NE . ARG A 1 9 ? -1.379 -3.124 7.352 1.00 75.47 9 A 1 ATOM 73 C CZ . ARG A 1 9 ? -1.860 -4.043 8.171 1.00 70.67 9 A 1 ATOM 74 N NH1 . ARG A 1 9 ? -2.321 -5.191 7.711 1.00 65.68 9 A 1 ATOM 75 N NH2 . ARG A 1 9 ? -1.882 -3.818 9.469 1.00 65.54 9 A 1 ATOM 76 N N . LEU A 1 10 ? -0.143 -0.906 0.605 1.00 89.45 10 A 1 ATOM 77 C CA . LEU A 1 10 ? 0.196 -1.209 -0.785 1.00 90.14 10 A 1 ATOM 78 C C . LEU A 1 10 ? 0.990 -0.078 -1.432 1.00 91.57 10 A 1 ATOM 79 O O . LEU A 1 10 ? 1.910 -0.327 -2.213 1.00 91.01 10 A 1 ATOM 80 C CB . LEU A 1 10 ? -1.081 -1.481 -1.584 1.00 89.93 10 A 1 ATOM 81 C CG . LEU A 1 10 ? -1.747 -2.819 -1.270 1.00 84.48 10 A 1 ATOM 82 C CD1 . LEU A 1 10 ? -3.144 -2.865 -1.865 1.00 80.58 10 A 1 ATOM 83 C CD2 . LEU A 1 10 ? -0.915 -3.971 -1.826 1.00 81.95 10 A 1 ATOM 84 N N . PHE A 1 11 ? 0.639 1.152 -1.109 1.00 91.26 11 A 1 ATOM 85 C CA . PHE A 1 11 ? 1.309 2.310 -1.690 1.00 91.01 11 A 1 ATOM 86 C C . PHE A 1 11 ? 2.549 2.718 -0.907 1.00 92.00 11 A 1 ATOM 87 O O . PHE A 1 11 ? 3.557 3.105 -1.492 1.00 91.24 11 A 1 ATOM 88 C CB . PHE A 1 11 ? 0.338 3.488 -1.759 1.00 90.89 11 A 1 ATOM 89 C CG . PHE A 1 11 ? -0.125 3.773 -3.163 1.00 88.77 11 A 1 ATOM 90 C CD1 . PHE A 1 11 ? 0.653 4.538 -4.015 1.00 86.81 11 A 1 ATOM 91 C CD2 . PHE A 1 11 ? -1.330 3.266 -3.618 1.00 87.48 11 A 1 ATOM 92 C CE1 . PHE A 1 11 ? 0.234 4.799 -5.308 1.00 85.87 11 A 1 ATOM 93 C CE2 . PHE A 1 11 ? -1.753 3.524 -4.915 1.00 86.26 11 A 1 ATOM 94 C CZ . PHE A 1 11 ? -0.971 4.291 -5.755 1.00 86.76 11 A 1 ATOM 95 N N . LEU A 1 12 ? 2.481 2.640 0.406 1.00 90.85 12 A 1 ATOM 96 C CA . LEU A 1 12 ? 3.601 3.045 1.255 1.00 90.68 12 A 1 ATOM 97 C C . LEU A 1 12 ? 4.874 2.241 0.975 1.00 91.80 12 A 1 ATOM 98 O O . LEU A 1 12 ? 5.926 2.835 0.732 1.00 91.39 12 A 1 ATOM 99 C CB . LEU A 1 12 ? 3.200 2.934 2.727 1.00 89.71 12 A 1 ATOM 100 C CG . LEU A 1 12 ? 4.116 3.699 3.671 1.00 83.70 12 A 1 ATOM 101 C CD1 . LEU A 1 12 ? 3.856 5.197 3.568 1.00 79.82 12 A 1 ATOM 102 C CD2 . LEU A 1 12 ? 3.893 3.229 5.100 1.00 80.99 12 A 1 ATOM 103 N N . PRO A 1 13 ? 4.821 0.910 1.015 1.00 92.16 13 A 1 ATOM 104 C CA . PRO A 1 13 ? 6.030 0.114 0.770 1.00 91.65 13 A 1 ATOM 105 C C . PRO A 1 13 ? 6.557 0.271 -0.649 1.00 92.52 13 A 1 ATOM 106 O O . PRO A 1 13 ? 7.769 0.328 -0.859 1.00 91.14 13 A 1 ATOM 107 C CB . PRO A 1 13 ? 5.575 -1.328 1.032 1.00 89.99 13 A 1 ATOM 108 C CG . PRO A 1 13 ? 4.106 -1.311 0.834 1.00 88.75 13 A 1 ATOM 109 C CD . PRO A 1 13 ? 3.657 0.066 1.260 1.00 92.25 13 A 1 ATOM 110 N N . SER A 1 14 ? 5.667 0.350 -1.605 1.00 91.99 14 A 1 ATOM 111 C CA . SER A 1 14 ? 6.066 0.512 -3.003 1.00 92.21 14 A 1 ATOM 112 C C . SER A 1 14 ? 6.730 1.868 -3.228 1.00 92.75 14 A 1 ATOM 113 O O . SER A 1 14 ? 7.731 1.971 -3.939 1.00 92.27 14 A 1 ATOM 114 C CB . SER A 1 14 ? 4.855 0.366 -3.920 1.00 91.69 14 A 1 ATOM 115 O OG . SER A 1 14 ? 4.293 -0.922 -3.806 1.00 86.81 14 A 1 ATOM 116 N N . PHE A 1 15 ? 6.181 2.899 -2.616 1.00 90.82 15 A 1 ATOM 117 C CA . PHE A 1 15 ? 6.720 4.248 -2.742 1.00 90.10 15 A 1 ATOM 118 C C . PHE A 1 15 ? 8.067 4.367 -2.035 1.00 91.70 15 A 1 ATOM 119 O O . PHE A 1 15 ? 8.990 4.998 -2.550 1.00 91.10 15 A 1 ATOM 120 C CB . PHE A 1 15 ? 5.730 5.257 -2.164 1.00 89.38 15 A 1 ATOM 121 C CG . PHE A 1 15 ? 6.041 6.671 -2.565 1.00 86.81 15 A 1 ATOM 122 C CD1 . PHE A 1 15 ? 6.836 7.474 -1.762 1.00 85.75 15 A 1 ATOM 123 C CD2 . PHE A 1 15 ? 5.547 7.182 -3.754 1.00 86.46 15 A 1 ATOM 124 C CE1 . PHE A 1 15 ? 7.130 8.777 -2.140 1.00 84.32 15 A 1 ATOM 125 C CE2 . PHE A 1 15 ? 5.841 8.485 -4.135 1.00 84.37 15 A 1 ATOM 126 C CZ . PHE A 1 15 ? 6.633 9.277 -3.324 1.00 85.50 15 A 1 ATOM 127 N N . LEU A 1 16 ? 8.182 3.748 -0.871 1.00 91.61 16 A 1 ATOM 128 C CA . LEU A 1 16 ? 9.424 3.786 -0.108 1.00 91.06 16 A 1 ATOM 129 C C . LEU A 1 16 ? 10.543 3.054 -0.841 1.00 92.78 16 A 1 ATOM 130 O O . LEU A 1 16 ? 11.690 3.504 -0.836 1.00 92.06 16 A 1 ATOM 131 C CB . LEU A 1 16 ? 9.201 3.163 1.271 1.00 90.50 16 A 1 ATOM 132 C CG . LEU A 1 16 ? 8.408 4.050 2.231 1.00 86.17 16 A 1 ATOM 133 C CD1 . LEU A 1 16 ? 7.959 3.245 3.443 1.00 81.98 16 A 1 ATOM 134 C CD2 . LEU A 1 16 ? 9.255 5.233 2.683 1.00 82.72 16 A 1 ATOM 135 N N . LEU A 1 17 ? 10.223 1.947 -1.472 1.00 91.43 17 A 1 ATOM 136 C CA . LEU A 1 17 ? 11.207 1.172 -2.216 1.00 92.16 17 A 1 ATOM 137 C C . LEU A 1 17 ? 11.709 1.938 -3.435 1.00 93.63 17 A 1 ATOM 138 O O . LEU A 1 17 ? 12.880 1.828 -3.805 1.00 93.00 17 A 1 ATOM 139 C CB . LEU A 1 17 ? 10.589 -0.159 -2.652 1.00 91.53 17 A 1 ATOM 140 C CG . LEU A 1 17 ? 10.464 -1.181 -1.527 1.00 86.05 17 A 1 ATOM 141 C CD1 . LEU A 1 17 ? 9.533 -2.313 -1.945 1.00 81.79 17 A 1 ATOM 142 C CD2 . LEU A 1 17 ? 11.833 -1.744 -1.170 1.00 82.16 17 A 1 ATOM 143 N N . LEU A 1 18 ? 10.838 2.702 -4.054 1.00 92.81 18 A 1 ATOM 144 C CA . LEU A 1 18 ? 11.204 3.498 -5.222 1.00 92.77 18 A 1 ATOM 145 C C . LEU A 1 18 ? 11.951 4.767 -4.821 1.00 93.86 18 A 1 ATOM 146 O O . LEU A 1 18 ? 12.774 5.275 -5.592 1.00 93.13 18 A 1 ATOM 147 C CB . LEU A 1 18 ? 9.946 3.853 -6.018 1.00 91.87 18 A 1 ATOM 148 C CG . LEU A 1 18 ? 9.303 2.672 -6.745 1.00 87.40 18 A 1 ATOM 149 C CD1 . LEU A 1 18 ? 7.893 3.032 -7.190 1.00 82.01 18 A 1 ATOM 150 C CD2 . LEU A 1 18 ? 10.139 2.266 -7.950 1.00 81.73 18 A 1 ATOM 151 N N . SER A 1 19 ? 11.677 5.275 -3.638 1.00 91.97 19 A 1 ATOM 152 C CA . SER A 1 19 ? 12.321 6.491 -3.138 1.00 91.50 19 A 1 ATOM 153 C C . SER A 1 19 ? 13.714 6.209 -2.576 1.00 90.88 19 A 1 ATOM 154 O O . SER A 1 19 ? 14.606 7.052 -2.666 1.00 89.58 19 A 1 ATOM 155 C CB . SER A 1 19 ? 11.442 7.147 -2.072 1.00 89.62 19 A 1 ATOM 156 O OG . SER A 1 19 ? 10.220 7.584 -2.625 1.00 80.32 19 A 1 ATOM 157 N N . ALA A 1 20 ? 13.900 5.033 -1.995 1.00 90.99 20 A 1 ATOM 158 C CA . ALA A 1 20 ? 15.167 4.648 -1.384 1.00 89.68 20 A 1 ATOM 159 C C . ALA A 1 20 ? 16.027 3.851 -2.357 1.00 86.95 20 A 1 ATOM 160 O O . ALA A 1 20 ? 15.564 2.804 -2.841 1.00 82.94 20 A 1 ATOM 161 C CB . ALA A 1 20 ? 14.917 3.851 -0.114 1.00 85.46 20 A 1 ATOM 162 O OXT . ALA A 1 20 ? 17.164 4.258 -2.622 1.00 74.64 20 A 1 #