# 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_spkb35526 # _entry.id spkb35526 # 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 "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" "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" "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" "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 LYS 2 1 n PHE 3 1 n VAL 4 1 n LEU 5 1 n LEU 6 1 n PHE 7 1 n GLY 8 1 n VAL 9 1 n PHE 10 1 n LEU 11 1 n LEU 12 1 n THR 13 1 n LEU 14 1 n PHE 15 1 n SER 16 1 n TYR 17 1 n SER 18 1 n SER 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 @ 2025-07-12 08:02:29)" _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 89.85 _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 84.84 1 1 A LYS 2 2 84.61 1 2 A PHE 3 2 86.67 1 3 A VAL 4 2 94.14 1 4 A LEU 5 2 92.15 1 5 A LEU 6 2 92.03 1 6 A PHE 7 2 92.35 1 7 A GLY 8 2 94.85 1 8 A VAL 9 2 95.84 1 9 A PHE 10 2 92.67 1 10 A LEU 11 2 92.49 1 11 A LEU 12 2 91.94 1 12 A THR 13 2 93.13 1 13 A LEU 14 2 92.58 1 14 A PHE 15 2 90.88 1 15 A SER 16 2 93.61 1 16 A TYR 17 2 89.79 1 17 A SER 18 2 88.70 1 18 A SER 19 2 82.58 1 19 A SER 20 2 71.41 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 LYS . 2 A 2 A 3 1 n PHE . 3 A 3 A 4 1 n VAL . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n GLY . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 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 ? -13.028 10.497 8.017 1.00 91.48 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.418 9.307 7.397 1.00 93.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.214 9.700 6.545 1.00 92.83 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.370 10.105 5.395 1.00 89.29 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.440 8.590 6.517 1.00 87.55 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.595 8.033 7.318 1.00 80.08 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.806 7.204 6.281 1.00 76.83 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.993 6.710 7.520 1.00 67.49 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.044 9.579 7.112 1.00 94.10 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -8.811 9.931 6.408 1.00 93.72 2 A 1 ATOM 11 C C . LYS A 1 2 ? -7.882 8.722 6.302 1.00 93.05 2 A 1 ATOM 12 O O . LYS A 1 2 ? -6.689 8.873 6.041 1.00 91.51 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -8.120 11.082 7.129 1.00 91.92 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -8.852 12.399 6.978 1.00 83.54 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -8.111 13.517 7.678 1.00 78.93 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -8.688 14.871 7.301 1.00 71.23 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.109 14.993 7.686 1.00 63.45 2 A 1 ATOM 18 N N . PHE A 1 3 ? -8.449 7.543 6.507 1.00 93.70 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -7.665 6.317 6.439 1.00 94.25 3 A 1 ATOM 20 C C . PHE A 1 3 ? -7.366 5.933 4.997 1.00 95.40 3 A 1 ATOM 21 O O . PHE A 1 3 ? -6.390 5.233 4.724 1.00 94.05 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -8.416 5.180 7.131 1.00 92.06 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -8.154 5.135 8.612 1.00 85.19 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -6.963 4.617 9.093 1.00 81.70 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -9.095 5.607 9.507 1.00 80.99 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -6.711 4.569 10.453 1.00 78.71 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -8.851 5.566 10.873 1.00 80.18 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -7.659 5.044 11.345 1.00 77.15 3 A 1 ATOM 29 N N . VAL A 1 4 ? -8.211 6.401 4.086 1.00 95.86 4 A 1 ATOM 30 C CA . VAL A 1 4 ? -8.021 6.116 2.664 1.00 96.39 4 A 1 ATOM 31 C C . VAL A 1 4 ? -6.676 6.653 2.190 1.00 96.73 4 A 1 ATOM 32 O O . VAL A 1 4 ? -5.960 5.996 1.432 1.00 95.69 4 A 1 ATOM 33 C CB . VAL A 1 4 ? -9.148 6.729 1.827 1.00 95.35 4 A 1 ATOM 34 C CG1 . VAL A 1 4 ? -8.953 6.402 0.354 1.00 89.76 4 A 1 ATOM 35 C CG2 . VAL A 1 4 ? -10.495 6.225 2.306 1.00 89.23 4 A 1 ATOM 36 N N . LEU A 1 5 ? -6.343 7.844 2.649 1.00 96.33 5 A 1 ATOM 37 C CA . LEU A 1 5 ? -5.079 8.469 2.279 1.00 96.31 5 A 1 ATOM 38 C C . LEU A 1 5 ? -3.909 7.710 2.890 1.00 96.57 5 A 1 ATOM 39 O O . LEU A 1 5 ? -2.899 7.468 2.229 1.00 96.29 5 A 1 ATOM 40 C CB . LEU A 1 5 ? -5.061 9.923 2.751 1.00 96.03 5 A 1 ATOM 41 C CG . LEU A 1 5 ? -6.094 10.817 2.074 1.00 87.42 5 A 1 ATOM 42 C CD1 . LEU A 1 5 ? -6.179 12.155 2.786 1.00 83.52 5 A 1 ATOM 43 C CD2 . LEU A 1 5 ? -5.736 11.024 0.609 1.00 84.71 5 A 1 ATOM 44 N N . LEU A 1 6 ? -4.063 7.344 4.145 1.00 96.69 6 A 1 ATOM 45 C CA . LEU A 1 6 ? -3.023 6.597 4.846 1.00 96.51 6 A 1 ATOM 46 C C . LEU A 1 6 ? -2.839 5.221 4.221 1.00 96.61 6 A 1 ATOM 47 O O . LEU A 1 6 ? -1.720 4.716 4.125 1.00 96.37 6 A 1 ATOM 48 C CB . LEU A 1 6 ? -3.393 6.460 6.321 1.00 96.11 6 A 1 ATOM 49 C CG . LEU A 1 6 ? -2.301 5.830 7.179 1.00 86.24 6 A 1 ATOM 50 C CD1 . LEU A 1 6 ? -1.070 6.730 7.227 1.00 83.31 6 A 1 ATOM 51 C CD2 . LEU A 1 6 ? -2.814 5.575 8.586 1.00 84.44 6 A 1 ATOM 52 N N . PHE A 1 7 ? -3.945 4.629 3.800 1.00 96.00 7 A 1 ATOM 53 C CA . PHE A 1 7 ? -3.913 3.314 3.172 1.00 95.83 7 A 1 ATOM 54 C C . PHE A 1 7 ? -3.124 3.370 1.871 1.00 96.41 7 A 1 ATOM 55 O O . PHE A 1 7 ? -2.369 2.452 1.549 1.00 95.78 7 A 1 ATOM 56 C CB . PHE A 1 7 ? -5.340 2.841 2.911 1.00 95.23 7 A 1 ATOM 57 C CG . PHE A 1 7 ? -5.443 1.341 2.852 1.00 93.10 7 A 1 ATOM 58 C CD1 . PHE A 1 7 ? -5.336 0.582 4.004 1.00 89.18 7 A 1 ATOM 59 C CD2 . PHE A 1 7 ? -5.647 0.708 1.638 1.00 89.65 7 A 1 ATOM 60 C CE1 . PHE A 1 7 ? -5.428 -0.797 3.951 1.00 87.70 7 A 1 ATOM 61 C CE2 . PHE A 1 7 ? -5.740 -0.676 1.578 1.00 88.34 7 A 1 ATOM 62 C CZ . PHE A 1 7 ? -5.628 -1.430 2.735 1.00 88.67 7 A 1 ATOM 63 N N . GLY A 1 8 ? -3.312 4.456 1.135 1.00 94.59 8 A 1 ATOM 64 C CA . GLY A 1 8 ? -2.594 4.635 -0.122 1.00 94.77 8 A 1 ATOM 65 C C . GLY A 1 8 ? -1.095 4.687 0.097 1.00 95.58 8 A 1 ATOM 66 O O . GLY A 1 8 ? -0.322 4.071 -0.638 1.00 94.47 8 A 1 ATOM 67 N N . VAL A 1 9 ? -0.684 5.405 1.118 1.00 97.36 9 A 1 ATOM 68 C CA . VAL A 1 9 ? 0.734 5.522 1.456 1.00 97.22 9 A 1 ATOM 69 C C . VAL A 1 9 ? 1.277 4.180 1.930 1.00 97.28 9 A 1 ATOM 70 O O . VAL A 1 9 ? 2.418 3.814 1.630 1.00 96.47 9 A 1 ATOM 71 C CB . VAL A 1 9 ? 0.950 6.584 2.546 1.00 96.62 9 A 1 ATOM 72 C CG1 . VAL A 1 9 ? 2.424 6.692 2.915 1.00 93.10 9 A 1 ATOM 73 C CG2 . VAL A 1 9 ? 0.434 7.935 2.075 1.00 92.83 9 A 1 ATOM 74 N N . PHE A 1 10 ? 0.445 3.459 2.653 1.00 96.07 10 A 1 ATOM 75 C CA . PHE A 1 10 ? 0.833 2.149 3.162 1.00 95.97 10 A 1 ATOM 76 C C . PHE A 1 10 ? 1.130 1.195 2.016 1.00 96.38 10 A 1 ATOM 77 O O . PHE A 1 10 ? 2.101 0.436 2.057 1.00 95.94 10 A 1 ATOM 78 C CB . PHE A 1 10 ? -0.287 1.590 4.035 1.00 95.75 10 A 1 ATOM 79 C CG . PHE A 1 10 ? 0.177 0.469 4.926 1.00 93.21 10 A 1 ATOM 80 C CD1 . PHE A 1 10 ? 0.963 0.734 6.036 1.00 88.94 10 A 1 ATOM 81 C CD2 . PHE A 1 10 ? -0.176 -0.837 4.639 1.00 90.36 10 A 1 ATOM 82 C CE1 . PHE A 1 10 ? 1.395 -0.293 6.857 1.00 88.12 10 A 1 ATOM 83 C CE2 . PHE A 1 10 ? 0.257 -1.872 5.458 1.00 88.85 10 A 1 ATOM 84 C CZ . PHE A 1 10 ? 1.041 -1.602 6.565 1.00 89.74 10 A 1 ATOM 85 N N . LEU A 1 11 ? 0.292 1.244 0.997 1.00 96.22 11 A 1 ATOM 86 C CA . LEU A 1 11 ? 0.473 0.386 -0.168 1.00 96.20 11 A 1 ATOM 87 C C . LEU A 1 11 ? 1.752 0.748 -0.906 1.00 96.21 11 A 1 ATOM 88 O O . LEU A 1 11 ? 2.477 -0.125 -1.380 1.00 95.58 11 A 1 ATOM 89 C CB . LEU A 1 11 ? -0.729 0.526 -1.101 1.00 95.65 11 A 1 ATOM 90 C CG . LEU A 1 11 ? -2.018 -0.075 -0.550 1.00 89.81 11 A 1 ATOM 91 C CD1 . LEU A 1 11 ? -3.200 0.320 -1.422 1.00 85.09 11 A 1 ATOM 92 C CD2 . LEU A 1 11 ? -1.908 -1.592 -0.473 1.00 85.13 11 A 1 ATOM 93 N N . LEU A 1 12 ? 2.016 2.033 -0.997 1.00 97.09 12 A 1 ATOM 94 C CA . LEU A 1 12 ? 3.221 2.518 -1.664 1.00 96.63 12 A 1 ATOM 95 C C . LEU A 1 12 ? 4.465 2.060 -0.914 1.00 96.56 12 A 1 ATOM 96 O O . LEU A 1 12 ? 5.464 1.674 -1.526 1.00 95.64 12 A 1 ATOM 97 C CB . LEU A 1 12 ? 3.194 4.042 -1.743 1.00 96.07 12 A 1 ATOM 98 C CG . LEU A 1 12 ? 4.295 4.632 -2.622 1.00 88.62 12 A 1 ATOM 99 C CD1 . LEU A 1 12 ? 4.000 4.364 -4.089 1.00 81.78 12 A 1 ATOM 100 C CD2 . LEU A 1 12 ? 4.421 6.129 -2.375 1.00 83.12 12 A 1 ATOM 101 N N . THR A 1 13 ? 4.393 2.099 0.399 1.00 96.58 13 A 1 ATOM 102 C CA . THR A 1 13 ? 5.517 1.686 1.234 1.00 96.19 13 A 1 ATOM 103 C C . THR A 1 13 ? 5.781 0.196 1.076 1.00 96.06 13 A 1 ATOM 104 O O . THR A 1 13 ? 6.931 -0.233 0.957 1.00 93.91 13 A 1 ATOM 105 C CB . THR A 1 13 ? 5.232 1.999 2.706 1.00 95.20 13 A 1 ATOM 106 O OG1 . THR A 1 13 ? 4.830 3.357 2.838 1.00 88.23 13 A 1 ATOM 107 C CG2 . THR A 1 13 ? 6.472 1.774 3.550 1.00 85.76 13 A 1 ATOM 108 N N . LEU A 1 14 ? 4.710 -0.577 1.070 1.00 96.82 14 A 1 ATOM 109 C CA . LEU A 1 14 ? 4.823 -2.023 0.924 1.00 96.44 14 A 1 ATOM 110 C C . LEU A 1 14 ? 5.375 -2.381 -0.450 1.00 96.26 14 A 1 ATOM 111 O O . LEU A 1 14 ? 6.214 -3.271 -0.586 1.00 95.37 14 A 1 ATOM 112 C CB . LEU A 1 14 ? 3.455 -2.669 1.126 1.00 95.83 14 A 1 ATOM 113 C CG . LEU A 1 14 ? 3.519 -4.156 1.446 1.00 90.38 14 A 1 ATOM 114 C CD1 . LEU A 1 14 ? 4.120 -4.378 2.825 1.00 84.54 14 A 1 ATOM 115 C CD2 . LEU A 1 14 ? 2.127 -4.765 1.381 1.00 85.02 14 A 1 ATOM 116 N N . PHE A 1 15 ? 4.903 -1.680 -1.457 1.00 97.06 15 A 1 ATOM 117 C CA . PHE A 1 15 ? 5.363 -1.905 -2.824 1.00 96.19 15 A 1 ATOM 118 C C . PHE A 1 15 ? 6.839 -1.554 -2.954 1.00 96.09 15 A 1 ATOM 119 O O . PHE A 1 15 ? 7.598 -2.250 -3.630 1.00 94.79 15 A 1 ATOM 120 C CB . PHE A 1 15 ? 4.539 -1.062 -3.793 1.00 95.33 15 A 1 ATOM 121 C CG . PHE A 1 15 ? 4.732 -1.480 -5.224 1.00 91.73 15 A 1 ATOM 122 C CD1 . PHE A 1 15 ? 5.740 -0.922 -5.996 1.00 86.00 15 A 1 ATOM 123 C CD2 . PHE A 1 15 ? 3.909 -2.442 -5.786 1.00 86.96 15 A 1 ATOM 124 C CE1 . PHE A 1 15 ? 5.925 -1.315 -7.311 1.00 84.56 15 A 1 ATOM 125 C CE2 . PHE A 1 15 ? 4.092 -2.838 -7.101 1.00 85.61 15 A 1 ATOM 126 C CZ . PHE A 1 15 ? 5.100 -2.274 -7.861 1.00 85.31 15 A 1 ATOM 127 N N . SER A 1 16 ? 7.229 -0.486 -2.296 1.00 96.91 16 A 1 ATOM 128 C CA . SER A 1 16 ? 8.619 -0.046 -2.322 1.00 96.42 16 A 1 ATOM 129 C C . SER A 1 16 ? 9.521 -1.074 -1.650 1.00 95.87 16 A 1 ATOM 130 O O . SER A 1 16 ? 10.640 -1.324 -2.100 1.00 93.83 16 A 1 ATOM 131 C CB . SER A 1 16 ? 8.755 1.298 -1.617 1.00 95.26 16 A 1 ATOM 132 O OG . SER A 1 16 ? 10.058 1.803 -1.765 1.00 83.40 16 A 1 ATOM 133 N N . TYR A 1 17 ? 9.015 -1.670 -0.590 1.00 96.16 17 A 1 ATOM 134 C CA . TYR A 1 17 ? 9.773 -2.684 0.142 1.00 95.34 17 A 1 ATOM 135 C C . TYR A 1 17 ? 9.962 -3.929 -0.711 1.00 94.62 17 A 1 ATOM 136 O O . TYR A 1 17 ? 11.038 -4.534 -0.717 1.00 92.04 17 A 1 ATOM 137 C CB . TYR A 1 17 ? 9.043 -3.043 1.437 1.00 94.07 17 A 1 ATOM 138 C CG . TYR A 1 17 ? 9.974 -3.620 2.481 1.00 90.02 17 A 1 ATOM 139 C CD1 . TYR A 1 17 ? 10.307 -4.965 2.471 1.00 86.11 17 A 1 ATOM 140 C CD2 . TYR A 1 17 ? 10.514 -2.808 3.468 1.00 86.38 17 A 1 ATOM 141 C CE1 . TYR A 1 17 ? 11.167 -5.494 3.421 1.00 85.19 17 A 1 ATOM 142 C CE2 . TYR A 1 17 ? 11.375 -3.331 4.425 1.00 86.83 17 A 1 ATOM 143 C CZ . TYR A 1 17 ? 11.694 -4.672 4.392 1.00 86.82 17 A 1 ATOM 144 O OH . TYR A 1 17 ? 12.543 -5.194 5.340 1.00 83.84 17 A 1 ATOM 145 N N . SER A 1 18 ? 8.918 -4.302 -1.420 1.00 94.61 18 A 1 ATOM 146 C CA . SER A 1 18 ? 8.965 -5.473 -2.288 1.00 93.20 18 A 1 ATOM 147 C C . SER A 1 18 ? 9.874 -5.229 -3.483 1.00 90.96 18 A 1 ATOM 148 O O . SER A 1 18 ? 10.620 -6.115 -3.902 1.00 85.22 18 A 1 ATOM 149 C CB . SER A 1 18 ? 7.562 -5.832 -2.771 1.00 90.64 18 A 1 ATOM 150 O OG . SER A 1 18 ? 7.588 -7.042 -3.491 1.00 77.55 18 A 1 ATOM 151 N N . SER A 1 19 ? 9.806 -4.028 -4.020 1.00 91.41 19 A 1 ATOM 152 C CA . SER A 1 19 ? 10.631 -3.647 -5.165 1.00 88.27 19 A 1 ATOM 153 C C . SER A 1 19 ? 12.082 -3.436 -4.749 1.00 83.74 19 A 1 ATOM 154 O O . SER A 1 19 ? 12.983 -3.443 -5.587 1.00 76.04 19 A 1 ATOM 155 C CB . SER A 1 19 ? 10.086 -2.375 -5.814 1.00 83.82 19 A 1 ATOM 156 O OG . SER A 1 19 ? 8.790 -2.596 -6.322 1.00 72.20 19 A 1 ATOM 157 N N . SER A 1 20 ? 12.271 -3.255 -3.447 1.00 84.09 20 A 1 ATOM 158 C CA . SER A 1 20 ? 13.597 -3.024 -2.872 1.00 79.25 20 A 1 ATOM 159 C C . SER A 1 20 ? 14.084 -1.612 -3.195 1.00 72.95 20 A 1 ATOM 160 O O . SER A 1 20 ? 14.624 -0.955 -2.292 1.00 65.19 20 A 1 ATOM 161 C CB . SER A 1 20 ? 14.601 -4.061 -3.389 1.00 70.78 20 A 1 ATOM 162 O OG . SER A 1 20 ? 15.848 -3.876 -2.761 1.00 63.58 20 A 1 ATOM 163 O OXT . SER A 1 20 ? 13.854 -1.153 -4.310 1.00 64.05 20 A 1 #