# 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_spkb22549 # _entry.id spkb22549 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H13 N O2" 131.173 LEU y LEUCINE CC(C)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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C4 H9 N O3" 119.119 THR y THREONINE C[C@H]([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C5 H11 N O2" 117.146 VAL y VALINE CC(C)[C@@H](C(=O)O)N ? "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 ARG 2 1 n SER 3 1 n TRP 4 1 n LEU 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n VAL 9 1 n GLY 10 1 n LEU 11 1 n SER 12 1 n SER 13 1 n TYR 14 1 n PHE 15 1 n ALA 16 1 n LEU 17 1 n SER 18 1 n THR 19 1 n SER 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 @ 2025-07-06 00:06:46)" _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 90.85 _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 83.90 1 1 A ARG 2 2 79.57 1 2 A SER 3 2 90.36 1 3 A TRP 4 2 88.20 1 4 A LEU 5 2 92.15 1 5 A LEU 6 2 93.16 1 6 A LEU 7 2 91.31 1 7 A LEU 8 2 92.91 1 8 A VAL 9 2 95.83 1 9 A GLY 10 2 97.20 1 10 A LEU 11 2 94.06 1 11 A SER 12 2 95.53 1 12 A SER 13 2 96.06 1 13 A TYR 14 2 94.12 1 14 A PHE 15 2 93.06 1 15 A ALA 16 2 97.04 1 16 A LEU 17 2 93.16 1 17 A SER 18 2 91.96 1 18 A THR 19 2 88.38 1 19 A SER 20 2 79.85 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 ARG . 2 A 2 A 3 1 n SER . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n GLY . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n THR . 19 A 19 A 20 1 n SER . 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 ? -11.143 4.143 13.423 1.00 89.51 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.934 3.190 12.306 1.00 91.29 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.443 3.074 11.981 1.00 92.04 1 A 1 ATOM 4 O O . MET A 1 1 ? -8.817 4.060 11.604 1.00 89.51 1 A 1 ATOM 5 C CB . MET A 1 1 ? -11.676 3.675 11.069 1.00 85.23 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.179 3.726 11.309 1.00 79.94 1 A 1 ATOM 7 S SD . MET A 1 1 ? -14.067 4.274 9.841 1.00 77.02 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.731 4.294 10.480 1.00 66.65 1 A 1 ATOM 9 N N . ARG A 1 2 ? -8.872 1.881 12.133 1.00 91.15 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -7.446 1.642 11.867 1.00 92.69 2 A 1 ATOM 11 C C . ARG A 1 2 ? -7.238 0.784 10.612 1.00 92.97 2 A 1 ATOM 12 O O . ARG A 1 2 ? -6.117 0.654 10.129 1.00 90.47 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -6.826 0.949 13.086 1.00 89.24 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -6.714 1.898 14.271 1.00 79.34 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -5.320 2.476 14.351 1.00 77.90 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -5.283 3.778 15.003 1.00 70.56 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -5.326 3.960 16.311 1.00 67.46 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -5.442 2.947 17.140 1.00 61.57 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -5.259 5.185 16.787 1.00 61.93 2 A 1 ATOM 20 N N . SER A 1 3 ? -8.305 0.198 10.095 1.00 92.06 3 A 1 ATOM 21 C CA . SER A 1 3 ? -8.226 -0.660 8.906 1.00 93.87 3 A 1 ATOM 22 C C . SER A 1 3 ? -7.701 0.105 7.692 1.00 95.27 3 A 1 ATOM 23 O O . SER A 1 3 ? -6.990 -0.452 6.855 1.00 92.91 3 A 1 ATOM 24 C CB . SER A 1 3 ? -9.604 -1.241 8.598 1.00 89.77 3 A 1 ATOM 25 O OG . SER A 1 3 ? -9.517 -2.157 7.534 1.00 78.28 3 A 1 ATOM 26 N N . TRP A 1 4 ? -8.045 1.398 7.604 1.00 91.53 4 A 1 ATOM 27 C CA . TRP A 1 4 ? -7.615 2.230 6.474 1.00 93.40 4 A 1 ATOM 28 C C . TRP A 1 4 ? -6.092 2.408 6.463 1.00 95.31 4 A 1 ATOM 29 O O . TRP A 1 4 ? -5.483 2.569 5.406 1.00 94.27 4 A 1 ATOM 30 C CB . TRP A 1 4 ? -8.302 3.595 6.544 1.00 92.05 4 A 1 ATOM 31 C CG . TRP A 1 4 ? -8.110 4.395 5.291 1.00 89.37 4 A 1 ATOM 32 C CD1 . TRP A 1 4 ? -7.805 3.917 4.053 1.00 85.14 4 A 1 ATOM 33 C CD2 . TRP A 1 4 ? -8.201 5.833 5.141 1.00 88.70 4 A 1 ATOM 34 N NE1 . TRP A 1 4 ? -7.698 4.956 3.148 1.00 83.86 4 A 1 ATOM 35 C CE2 . TRP A 1 4 ? -7.942 6.145 3.789 1.00 87.57 4 A 1 ATOM 36 C CE3 . TRP A 1 4 ? -8.486 6.881 6.026 1.00 84.83 4 A 1 ATOM 37 C CZ2 . TRP A 1 4 ? -7.955 7.461 3.316 1.00 86.66 4 A 1 ATOM 38 C CZ3 . TRP A 1 4 ? -8.504 8.188 5.553 1.00 80.85 4 A 1 ATOM 39 C CH2 . TRP A 1 4 ? -8.236 8.469 4.214 1.00 81.32 4 A 1 ATOM 40 N N . LEU A 1 5 ? -5.463 2.349 7.629 1.00 94.86 5 A 1 ATOM 41 C CA . LEU A 1 5 ? -4.007 2.515 7.726 1.00 95.36 5 A 1 ATOM 42 C C . LEU A 1 5 ? -3.281 1.443 6.916 1.00 96.23 5 A 1 ATOM 43 O O . LEU A 1 5 ? -2.233 1.706 6.324 1.00 95.98 5 A 1 ATOM 44 C CB . LEU A 1 5 ? -3.577 2.429 9.194 1.00 95.30 5 A 1 ATOM 45 C CG . LEU A 1 5 ? -4.043 3.625 10.019 1.00 89.14 5 A 1 ATOM 46 C CD1 . LEU A 1 5 ? -3.784 3.372 11.500 1.00 85.23 5 A 1 ATOM 47 C CD2 . LEU A 1 5 ? -3.311 4.891 9.587 1.00 85.09 5 A 1 ATOM 48 N N . LEU A 1 6 ? -3.829 0.241 6.877 1.00 96.40 6 A 1 ATOM 49 C CA . LEU A 1 6 ? -3.220 -0.861 6.125 1.00 96.25 6 A 1 ATOM 50 C C . LEU A 1 6 ? -3.163 -0.534 4.636 1.00 96.64 6 A 1 ATOM 51 O O . LEU A 1 6 ? -2.207 -0.900 3.948 1.00 96.16 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -4.035 -2.139 6.345 1.00 95.87 6 A 1 ATOM 53 C CG . LEU A 1 6 ? -3.967 -2.654 7.783 1.00 90.32 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? -4.973 -3.782 7.985 1.00 87.02 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? -2.562 -3.162 8.096 1.00 86.60 6 A 1 ATOM 56 N N . LEU A 1 7 ? -4.170 0.164 4.139 1.00 95.05 7 A 1 ATOM 57 C CA . LEU A 1 7 ? -4.215 0.544 2.724 1.00 94.96 7 A 1 ATOM 58 C C . LEU A 1 7 ? -3.078 1.513 2.398 1.00 95.99 7 A 1 ATOM 59 O O . LEU A 1 7 ? -2.439 1.406 1.347 1.00 95.51 7 A 1 ATOM 60 C CB . LEU A 1 7 ? -5.567 1.196 2.413 1.00 94.64 7 A 1 ATOM 61 C CG . LEU A 1 7 ? -6.752 0.241 2.546 1.00 87.14 7 A 1 ATOM 62 C CD1 . LEU A 1 7 ? -8.061 1.022 2.500 1.00 83.75 7 A 1 ATOM 63 C CD2 . LEU A 1 7 ? -6.729 -0.793 1.425 1.00 83.41 7 A 1 ATOM 64 N N . LEU A 1 8 ? -2.811 2.441 3.298 1.00 96.19 8 A 1 ATOM 65 C CA . LEU A 1 8 ? -1.745 3.427 3.103 1.00 96.12 8 A 1 ATOM 66 C C . LEU A 1 8 ? -0.378 2.746 3.092 1.00 96.58 8 A 1 ATOM 67 O O . LEU A 1 8 ? 0.506 3.109 2.315 1.00 96.45 8 A 1 ATOM 68 C CB . LEU A 1 8 ? -1.803 4.487 4.214 1.00 95.88 8 A 1 ATOM 69 C CG . LEU A 1 8 ? -2.658 5.709 3.865 1.00 89.42 8 A 1 ATOM 70 C CD1 . LEU A 1 8 ? -2.011 6.491 2.727 1.00 86.03 8 A 1 ATOM 71 C CD2 . LEU A 1 8 ? -4.062 5.282 3.456 1.00 86.60 8 A 1 ATOM 72 N N . VAL A 1 9 ? -0.196 1.754 3.952 1.00 97.25 9 A 1 ATOM 73 C CA . VAL A 1 9 ? 1.075 1.025 4.034 1.00 96.88 9 A 1 ATOM 74 C C . VAL A 1 9 ? 1.335 0.258 2.742 1.00 97.20 9 A 1 ATOM 75 O O . VAL A 1 9 ? 2.464 0.221 2.244 1.00 96.62 9 A 1 ATOM 76 C CB . VAL A 1 9 ? 1.064 0.053 5.226 1.00 96.21 9 A 1 ATOM 77 C CG1 . VAL A 1 9 ? 2.358 -0.757 5.265 1.00 93.14 9 A 1 ATOM 78 C CG2 . VAL A 1 9 ? 0.899 0.823 6.526 1.00 93.48 9 A 1 ATOM 79 N N . GLY A 1 10 ? 0.295 -0.358 2.204 1.00 97.17 10 A 1 ATOM 80 C CA . GLY A 1 10 ? 0.434 -1.121 0.961 1.00 97.07 10 A 1 ATOM 81 C C . GLY A 1 10 ? 0.878 -0.243 -0.196 1.00 97.54 10 A 1 ATOM 82 O O . GLY A 1 10 ? 1.789 -0.595 -0.947 1.00 97.02 10 A 1 ATOM 83 N N . LEU A 1 11 ? 0.240 0.902 -0.345 1.00 97.00 11 A 1 ATOM 84 C CA . LEU A 1 11 ? 0.581 1.838 -1.421 1.00 96.92 11 A 1 ATOM 85 C C . LEU A 1 11 ? 1.983 2.414 -1.217 1.00 97.20 11 A 1 ATOM 86 O O . LEU A 1 11 ? 2.746 2.568 -2.172 1.00 96.71 11 A 1 ATOM 87 C CB . LEU A 1 11 ? -0.447 2.976 -1.459 1.00 96.50 11 A 1 ATOM 88 C CG . LEU A 1 11 ? -0.460 3.705 -2.803 1.00 92.62 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? -1.388 2.987 -3.778 1.00 87.54 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? -0.907 5.147 -2.625 1.00 87.98 11 A 1 ATOM 91 N N . SER A 1 12 ? 2.329 2.721 0.016 1.00 97.64 12 A 1 ATOM 92 C CA . SER A 1 12 ? 3.638 3.288 0.337 1.00 97.49 12 A 1 ATOM 93 C C . SER A 1 12 ? 4.760 2.307 0.017 1.00 97.49 12 A 1 ATOM 94 O O . SER A 1 12 ? 5.815 2.703 -0.477 1.00 96.63 12 A 1 ATOM 95 C CB . SER A 1 12 ? 3.689 3.665 1.814 1.00 96.80 12 A 1 ATOM 96 O OG . SER A 1 12 ? 4.909 4.301 2.106 1.00 87.12 12 A 1 ATOM 97 N N . SER A 1 13 ? 4.546 1.027 0.279 1.00 97.81 13 A 1 ATOM 98 C CA . SER A 1 13 ? 5.564 0.007 0.020 1.00 97.72 13 A 1 ATOM 99 C C . SER A 1 13 ? 5.871 -0.095 -1.471 1.00 97.84 13 A 1 ATOM 100 O O . SER A 1 13 ? 7.033 -0.178 -1.871 1.00 96.80 13 A 1 ATOM 101 C CB . SER A 1 13 ? 5.084 -1.349 0.541 1.00 96.90 13 A 1 ATOM 102 O OG . SER A 1 13 ? 4.043 -1.851 -0.256 1.00 89.29 13 A 1 ATOM 103 N N . TYR A 1 14 ? 4.835 -0.088 -2.298 1.00 97.53 14 A 1 ATOM 104 C CA . TYR A 1 14 ? 5.010 -0.174 -3.754 1.00 97.49 14 A 1 ATOM 105 C C . TYR A 1 14 ? 5.677 1.089 -4.293 1.00 97.67 14 A 1 ATOM 106 O O . TYR A 1 14 ? 6.572 1.021 -5.140 1.00 97.02 14 A 1 ATOM 107 C CB . TYR A 1 14 ? 3.650 -0.377 -4.422 1.00 96.92 14 A 1 ATOM 108 C CG . TYR A 1 14 ? 3.791 -0.657 -5.904 1.00 94.29 14 A 1 ATOM 109 C CD1 . TYR A 1 14 ? 3.815 0.383 -6.827 1.00 91.45 14 A 1 ATOM 110 C CD2 . TYR A 1 14 ? 3.915 -1.966 -6.365 1.00 91.96 14 A 1 ATOM 111 C CE1 . TYR A 1 14 ? 3.960 0.125 -8.187 1.00 90.79 14 A 1 ATOM 112 C CE2 . TYR A 1 14 ? 4.059 -2.226 -7.726 1.00 91.49 14 A 1 ATOM 113 C CZ . TYR A 1 14 ? 4.082 -1.178 -8.628 1.00 92.05 14 A 1 ATOM 114 O OH . TYR A 1 14 ? 4.222 -1.430 -9.973 1.00 90.84 14 A 1 ATOM 115 N N . PHE A 1 15 ? 5.248 2.245 -3.806 1.00 97.21 15 A 1 ATOM 116 C CA . PHE A 1 15 ? 5.806 3.520 -4.256 1.00 96.63 15 A 1 ATOM 117 C C . PHE A 1 15 ? 7.258 3.666 -3.806 1.00 96.90 15 A 1 ATOM 118 O O . PHE A 1 15 ? 8.101 4.150 -4.561 1.00 96.17 15 A 1 ATOM 119 C CB . PHE A 1 15 ? 4.971 4.671 -3.700 1.00 95.91 15 A 1 ATOM 120 C CG . PHE A 1 15 ? 5.147 5.929 -4.509 1.00 93.48 15 A 1 ATOM 121 C CD1 . PHE A 1 15 ? 6.155 6.834 -4.203 1.00 89.48 15 A 1 ATOM 122 C CD2 . PHE A 1 15 ? 4.310 6.188 -5.585 1.00 90.45 15 A 1 ATOM 123 C CE1 . PHE A 1 15 ? 6.327 7.991 -4.957 1.00 88.82 15 A 1 ATOM 124 C CE2 . PHE A 1 15 ? 4.479 7.344 -6.343 1.00 89.17 15 A 1 ATOM 125 C CZ . PHE A 1 15 ? 5.489 8.243 -6.030 1.00 89.49 15 A 1 ATOM 126 N N . ALA A 1 16 ? 7.556 3.240 -2.590 1.00 97.52 16 A 1 ATOM 127 C CA . ALA A 1 16 ? 8.916 3.330 -2.053 1.00 97.32 16 A 1 ATOM 128 C C . ALA A 1 16 ? 9.873 2.423 -2.820 1.00 97.44 16 A 1 ATOM 129 O O . ALA A 1 16 ? 10.999 2.812 -3.125 1.00 96.44 16 A 1 ATOM 130 C CB . ALA A 1 16 ? 8.913 2.953 -0.576 1.00 96.48 16 A 1 ATOM 131 N N . LEU A 1 17 ? 9.438 1.209 -3.138 1.00 97.27 17 A 1 ATOM 132 C CA . LEU A 1 17 ? 10.276 0.260 -3.874 1.00 96.62 17 A 1 ATOM 133 C C . LEU A 1 17 ? 10.505 0.728 -5.307 1.00 96.42 17 A 1 ATOM 134 O O . LEU A 1 17 ? 11.613 0.617 -5.837 1.00 94.95 17 A 1 ATOM 135 C CB . LEU A 1 17 ? 9.617 -1.122 -3.880 1.00 95.86 17 A 1 ATOM 136 C CG . LEU A 1 17 ? 10.627 -2.247 -3.669 1.00 91.93 17 A 1 ATOM 137 C CD1 . LEU A 1 17 ? 10.697 -2.622 -2.196 1.00 86.97 17 A 1 ATOM 138 C CD2 . LEU A 1 17 ? 10.257 -3.462 -4.502 1.00 85.28 17 A 1 ATOM 139 N N . SER A 1 18 ? 9.463 1.247 -5.941 1.00 96.57 18 A 1 ATOM 140 C CA . SER A 1 18 ? 9.551 1.732 -7.318 1.00 95.62 18 A 1 ATOM 141 C C . SER A 1 18 ? 10.446 2.964 -7.422 1.00 94.81 18 A 1 ATOM 142 O O . SER A 1 18 ? 11.203 3.113 -8.382 1.00 90.78 18 A 1 ATOM 143 C CB . SER A 1 18 ? 8.159 2.059 -7.843 1.00 93.56 18 A 1 ATOM 144 O OG . SER A 1 18 ? 8.221 2.360 -9.220 1.00 80.45 18 A 1 ATOM 145 N N . THR A 1 19 ? 10.377 3.838 -6.433 1.00 95.13 19 A 1 ATOM 146 C CA . THR A 1 19 ? 11.179 5.070 -6.414 1.00 93.18 19 A 1 ATOM 147 C C . THR A 1 19 ? 12.374 4.924 -5.471 1.00 90.81 19 A 1 ATOM 148 O O . THR A 1 19 ? 12.601 5.767 -4.603 1.00 84.99 19 A 1 ATOM 149 C CB . THR A 1 19 ? 10.317 6.261 -5.978 1.00 90.54 19 A 1 ATOM 150 O OG1 . THR A 1 19 ? 9.859 6.073 -4.647 1.00 82.69 19 A 1 ATOM 151 C CG2 . THR A 1 19 ? 9.124 6.418 -6.898 1.00 81.30 19 A 1 ATOM 152 N N . SER A 1 20 ? 13.140 3.843 -5.667 1.00 89.85 20 A 1 ATOM 153 C CA . SER A 1 20 ? 14.309 3.567 -4.824 1.00 86.06 20 A 1 ATOM 154 C C . SER A 1 20 ? 15.303 4.731 -4.870 1.00 81.44 20 A 1 ATOM 155 O O . SER A 1 20 ? 15.904 5.036 -3.822 1.00 73.96 20 A 1 ATOM 156 C CB . SER A 1 20 ? 14.996 2.282 -5.281 1.00 79.50 20 A 1 ATOM 157 O OG . SER A 1 20 ? 16.091 1.999 -4.442 1.00 72.69 20 A 1 ATOM 158 O OXT . SER A 1 20 ? 15.485 5.311 -5.956 1.00 75.44 20 A 1 #