# 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_spkb28835 # _entry.id spkb28835 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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 ILE y ISOLEUCINE CC[C@H](C)[C@@H](C(=O)O)N ? "L-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" "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 ALA 2 1 n LEU 3 1 n SER 4 1 n LEU 5 1 n TYR 6 1 n LEU 7 1 n ILE 8 1 n ALA 9 1 n VAL 10 1 n ILE 11 1 n CYS 12 1 n SER 13 1 n LEU 14 1 n VAL 15 1 n GLY 16 1 n PHE 17 1 n THR 18 1 n ALA 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 @ 2025-07-13 02:04:57)" _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 93.41 _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 85.41 1 1 A ALA 2 2 94.76 1 2 A LEU 3 2 93.34 1 3 A SER 4 2 94.90 1 4 A LEU 5 2 95.06 1 5 A TYR 6 2 95.20 1 6 A LEU 7 2 94.46 1 7 A ILE 8 2 96.12 1 8 A ALA 9 2 97.59 1 9 A VAL 10 2 97.08 1 10 A ILE 11 2 96.17 1 11 A CYS 12 2 96.20 1 12 A SER 13 2 94.98 1 13 A LEU 14 2 94.90 1 14 A VAL 15 2 96.57 1 15 A GLY 16 2 96.14 1 16 A PHE 17 2 90.94 1 17 A THR 18 2 89.96 1 18 A ALA 19 2 90.87 1 19 A SER 20 2 80.38 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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n TYR . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n PHE . 17 A 17 A 18 1 n THR . 18 A 18 A 19 1 n ALA . 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 ? -5.038 -8.911 11.153 1.00 90.72 1 A 1 ATOM 2 C CA . MET A 1 1 ? -5.077 -7.472 10.851 1.00 92.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -3.966 -7.100 9.874 1.00 93.67 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.650 -5.924 9.697 1.00 91.75 1 A 1 ATOM 5 C CB . MET A 1 1 ? -4.924 -6.639 12.120 1.00 87.94 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.085 -6.818 13.094 1.00 81.06 1 A 1 ATOM 7 S SD . MET A 1 1 ? -6.117 -8.455 13.826 1.00 76.98 1 A 1 ATOM 8 C CE . MET A 1 1 ? -7.476 -8.273 14.968 1.00 68.28 1 A 1 ATOM 9 N N . ALA A 1 2 ? -3.399 -8.096 9.262 1.00 92.77 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -2.319 -7.879 8.304 1.00 95.77 2 A 1 ATOM 11 C C . ALA A 1 2 ? -2.798 -7.095 7.092 1.00 96.75 2 A 1 ATOM 12 O O . ALA A 1 2 ? -2.044 -6.316 6.506 1.00 95.56 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -1.739 -9.220 7.872 1.00 92.96 2 A 1 ATOM 14 N N . LEU A 1 3 ? -4.075 -7.305 6.730 1.00 96.96 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -4.652 -6.613 5.586 1.00 97.22 3 A 1 ATOM 16 C C . LEU A 1 3 ? -4.716 -5.111 5.827 1.00 97.79 3 A 1 ATOM 17 O O . LEU A 1 3 ? -4.455 -4.315 4.925 1.00 97.46 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -6.053 -7.159 5.296 1.00 96.36 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -6.657 -6.647 3.991 1.00 89.41 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -5.863 -7.168 2.800 1.00 86.42 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -8.115 -7.081 3.884 1.00 85.10 3 A 1 ATOM 22 N N . SER A 1 4 ? -5.057 -4.718 7.051 1.00 96.38 4 A 1 ATOM 23 C CA . SER A 1 4 ? -5.138 -3.304 7.413 1.00 96.98 4 A 1 ATOM 24 C C . SER A 1 4 ? -3.768 -2.644 7.303 1.00 97.40 4 A 1 ATOM 25 O O . SER A 1 4 ? -3.629 -1.547 6.765 1.00 96.67 4 A 1 ATOM 26 C CB . SER A 1 4 ? -5.676 -3.147 8.832 1.00 95.64 4 A 1 ATOM 27 O OG . SER A 1 4 ? -6.975 -3.696 8.939 1.00 86.32 4 A 1 ATOM 28 N N . LEU A 1 5 ? -2.758 -3.325 7.806 1.00 97.74 5 A 1 ATOM 29 C CA . LEU A 1 5 ? -1.389 -2.827 7.737 1.00 97.79 5 A 1 ATOM 30 C C . LEU A 1 5 ? -0.919 -2.766 6.293 1.00 98.08 5 A 1 ATOM 31 O O . LEU A 1 5 ? -0.134 -1.891 5.917 1.00 97.85 5 A 1 ATOM 32 C CB . LEU A 1 5 ? -0.466 -3.733 8.547 1.00 97.33 5 A 1 ATOM 33 C CG . LEU A 1 5 ? -0.732 -3.709 10.049 1.00 92.23 5 A 1 ATOM 34 C CD1 . LEU A 1 5 ? 0.114 -4.762 10.747 1.00 89.92 5 A 1 ATOM 35 C CD2 . LEU A 1 5 ? -0.436 -2.334 10.624 1.00 89.58 5 A 1 ATOM 36 N N . TYR A 1 6 ? -1.413 -3.696 5.502 1.00 96.85 6 A 1 ATOM 37 C CA . TYR A 1 6 ? -1.075 -3.745 4.084 1.00 97.08 6 A 1 ATOM 38 C C . TYR A 1 6 ? -1.547 -2.481 3.375 1.00 97.58 6 A 1 ATOM 39 O O . TYR A 1 6 ? -0.829 -1.914 2.546 1.00 97.32 6 A 1 ATOM 40 C CB . TYR A 1 6 ? -1.716 -4.977 3.451 1.00 96.94 6 A 1 ATOM 41 C CG . TYR A 1 6 ? -1.355 -5.131 1.994 1.00 95.62 6 A 1 ATOM 42 C CD1 . TYR A 1 6 ? -0.093 -5.582 1.622 1.00 93.58 6 A 1 ATOM 43 C CD2 . TYR A 1 6 ? -2.275 -4.826 1.004 1.00 93.96 6 A 1 ATOM 44 C CE1 . TYR A 1 6 ? 0.240 -5.719 0.285 1.00 93.25 6 A 1 ATOM 45 C CE2 . TYR A 1 6 ? -1.942 -4.961 -0.338 1.00 93.43 6 A 1 ATOM 46 C CZ . TYR A 1 6 ? -0.687 -5.406 -0.689 1.00 93.90 6 A 1 ATOM 47 O OH . TYR A 1 6 ? -0.357 -5.538 -2.011 1.00 92.90 6 A 1 ATOM 48 N N . LEU A 1 7 ? -2.755 -2.032 3.713 1.00 97.10 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -3.314 -0.818 3.120 1.00 97.33 7 A 1 ATOM 50 C C . LEU A 1 7 ? -2.454 0.391 3.467 1.00 97.79 7 A 1 ATOM 51 O O . LEU A 1 7 ? -2.173 1.236 2.615 1.00 97.73 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -4.743 -0.603 3.622 1.00 96.97 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -5.743 -1.644 3.123 1.00 90.98 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -7.075 -1.487 3.842 1.00 88.76 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -5.937 -1.518 1.618 1.00 89.01 7 A 1 ATOM 56 N N . ILE A 1 8 ? -2.034 0.467 4.714 1.00 97.52 8 A 1 ATOM 57 C CA . ILE A 1 8 ? -1.190 1.566 5.177 1.00 97.40 8 A 1 ATOM 58 C C . ILE A 1 8 ? 0.137 1.559 4.428 1.00 97.65 8 A 1 ATOM 59 O O . ILE A 1 8 ? 0.651 2.607 4.029 1.00 97.35 8 A 1 ATOM 60 C CB . ILE A 1 8 ? -0.942 1.463 6.690 1.00 96.98 8 A 1 ATOM 61 C CG1 . ILE A 1 8 ? -2.265 1.569 7.456 1.00 95.50 8 A 1 ATOM 62 C CG2 . ILE A 1 8 ? 0.019 2.561 7.143 1.00 95.24 8 A 1 ATOM 63 C CD1 . ILE A 1 8 ? -2.135 1.240 8.930 1.00 91.33 8 A 1 ATOM 64 N N . ALA A 1 9 ? 0.674 0.377 4.235 1.00 97.72 9 A 1 ATOM 65 C CA . ALA A 1 9 ? 1.941 0.230 3.526 1.00 97.75 9 A 1 ATOM 66 C C . ALA A 1 9 ? 1.823 0.721 2.086 1.00 97.88 9 A 1 ATOM 67 O O . ALA A 1 9 ? 2.719 1.398 1.577 1.00 97.22 9 A 1 ATOM 68 C CB . ALA A 1 9 ? 2.381 -1.230 3.553 1.00 97.37 9 A 1 ATOM 69 N N . VAL A 1 10 ? 0.707 0.385 1.442 1.00 97.79 10 A 1 ATOM 70 C CA . VAL A 1 10 ? 0.461 0.803 0.063 1.00 97.77 10 A 1 ATOM 71 C C . VAL A 1 10 ? 0.343 2.319 -0.027 1.00 97.94 10 A 1 ATOM 72 O O . VAL A 1 10 ? 0.945 2.952 -0.897 1.00 97.41 10 A 1 ATOM 73 C CB . VAL A 1 10 ? -0.812 0.146 -0.491 1.00 97.26 10 A 1 ATOM 74 C CG1 . VAL A 1 10 ? -1.152 0.697 -1.872 1.00 95.77 10 A 1 ATOM 75 C CG2 . VAL A 1 10 ? -0.636 -1.361 -0.561 1.00 95.60 10 A 1 ATOM 76 N N . ILE A 1 11 ? -0.439 2.899 0.878 1.00 97.61 11 A 1 ATOM 77 C CA . ILE A 1 11 ? -0.639 4.345 0.902 1.00 97.50 11 A 1 ATOM 78 C C . ILE A 1 11 ? 0.682 5.056 1.163 1.00 97.57 11 A 1 ATOM 79 O O . ILE A 1 11 ? 1.019 6.033 0.488 1.00 97.15 11 A 1 ATOM 80 C CB . ILE A 1 11 ? -1.669 4.737 1.974 1.00 97.21 11 A 1 ATOM 81 C CG1 . ILE A 1 11 ? -3.042 4.150 1.631 1.00 95.75 11 A 1 ATOM 82 C CG2 . ILE A 1 11 ? -1.769 6.259 2.083 1.00 95.29 11 A 1 ATOM 83 C CD1 . ILE A 1 11 ? -4.028 4.231 2.777 1.00 91.28 11 A 1 ATOM 84 N N . CYS A 1 12 ? 1.418 4.573 2.133 1.00 97.66 12 A 1 ATOM 85 C CA . CYS A 1 12 ? 2.708 5.163 2.480 1.00 97.52 12 A 1 ATOM 86 C C . CYS A 1 12 ? 3.663 5.120 1.292 1.00 97.47 12 A 1 ATOM 87 O O . CYS A 1 12 ? 4.395 6.072 1.033 1.00 96.23 12 A 1 ATOM 88 C CB . CYS A 1 12 ? 3.321 4.419 3.669 1.00 96.79 12 A 1 ATOM 89 S SG . CYS A 1 12 ? 4.851 5.170 4.234 1.00 91.55 12 A 1 ATOM 90 N N . SER A 1 13 ? 3.625 4.018 0.566 1.00 97.10 13 A 1 ATOM 91 C CA . SER A 1 13 ? 4.467 3.844 -0.611 1.00 97.15 13 A 1 ATOM 92 C C . SER A 1 13 ? 4.090 4.838 -1.704 1.00 97.60 13 A 1 ATOM 93 O O . SER A 1 13 ? 4.960 5.465 -2.308 1.00 96.09 13 A 1 ATOM 94 C CB . SER A 1 13 ? 4.339 2.419 -1.143 1.00 96.00 13 A 1 ATOM 95 O OG . SER A 1 13 ? 5.197 2.230 -2.242 1.00 85.96 13 A 1 ATOM 96 N N . LEU A 1 14 ? 2.784 4.986 -1.945 1.00 97.50 14 A 1 ATOM 97 C CA . LEU A 1 14 ? 2.288 5.901 -2.966 1.00 97.52 14 A 1 ATOM 98 C C . LEU A 1 14 ? 2.582 7.346 -2.598 1.00 97.79 14 A 1 ATOM 99 O O . LEU A 1 14 ? 3.000 8.136 -3.450 1.00 97.21 14 A 1 ATOM 100 C CB . LEU A 1 14 ? 0.781 5.712 -3.146 1.00 97.01 14 A 1 ATOM 101 C CG . LEU A 1 14 ? 0.389 4.372 -3.761 1.00 92.42 14 A 1 ATOM 102 C CD1 . LEU A 1 14 ? -1.115 4.170 -3.682 1.00 89.74 14 A 1 ATOM 103 C CD2 . LEU A 1 14 ? 0.858 4.296 -5.207 1.00 89.99 14 A 1 ATOM 104 N N . VAL A 1 15 ? 2.360 7.695 -1.333 1.00 98.04 15 A 1 ATOM 105 C CA . VAL A 1 15 ? 2.604 9.050 -0.854 1.00 97.83 15 A 1 ATOM 106 C C . VAL A 1 15 ? 4.080 9.399 -0.971 1.00 97.91 15 A 1 ATOM 107 O O . VAL A 1 15 ? 4.442 10.474 -1.449 1.00 97.11 15 A 1 ATOM 108 C CB . VAL A 1 15 ? 2.139 9.210 0.598 1.00 96.86 15 A 1 ATOM 109 C CG1 . VAL A 1 15 ? 2.552 10.568 1.151 1.00 93.85 15 A 1 ATOM 110 C CG2 . VAL A 1 15 ? 0.634 9.048 0.686 1.00 94.42 15 A 1 ATOM 111 N N . GLY A 1 16 ? 4.924 8.490 -0.538 1.00 96.52 16 A 1 ATOM 112 C CA . GLY A 1 16 ? 6.361 8.707 -0.610 1.00 96.12 16 A 1 ATOM 113 C C . GLY A 1 16 ? 6.855 8.777 -2.038 1.00 96.51 16 A 1 ATOM 114 O O . GLY A 1 16 ? 7.763 9.546 -2.357 1.00 95.41 16 A 1 ATOM 115 N N . PHE A 1 17 ? 6.249 7.978 -2.900 1.00 95.54 17 A 1 ATOM 116 C CA . PHE A 1 17 ? 6.611 7.954 -4.312 1.00 95.49 17 A 1 ATOM 117 C C . PHE A 1 17 ? 6.170 9.227 -5.024 1.00 96.39 17 A 1 ATOM 118 O O . PHE A 1 17 ? 6.925 9.797 -5.817 1.00 95.52 17 A 1 ATOM 119 C CB . PHE A 1 17 ? 5.975 6.733 -4.981 1.00 94.37 17 A 1 ATOM 120 C CG . PHE A 1 17 ? 6.234 6.671 -6.461 1.00 90.35 17 A 1 ATOM 121 C CD1 . PHE A 1 17 ? 7.489 6.344 -6.940 1.00 87.65 17 A 1 ATOM 122 C CD2 . PHE A 1 17 ? 5.222 6.942 -7.362 1.00 87.51 17 A 1 ATOM 123 C CE1 . PHE A 1 17 ? 7.734 6.289 -8.298 1.00 86.29 17 A 1 ATOM 124 C CE2 . PHE A 1 17 ? 5.464 6.890 -8.731 1.00 85.87 17 A 1 ATOM 125 C CZ . PHE A 1 17 ? 6.720 6.560 -9.193 1.00 85.35 17 A 1 ATOM 126 N N . THR A 1 18 ? 4.945 9.666 -4.743 1.00 94.31 18 A 1 ATOM 127 C CA . THR A 1 18 ? 4.397 10.868 -5.369 1.00 93.62 18 A 1 ATOM 128 C C . THR A 1 18 ? 4.991 12.133 -4.764 1.00 92.61 18 A 1 ATOM 129 O O . THR A 1 18 ? 5.351 13.068 -5.481 1.00 89.70 18 A 1 ATOM 130 C CB . THR A 1 18 ? 2.873 10.909 -5.221 1.00 91.54 18 A 1 ATOM 131 O OG1 . THR A 1 18 ? 2.307 9.720 -5.766 1.00 84.93 18 A 1 ATOM 132 C CG2 . THR A 1 18 ? 2.297 12.109 -5.944 1.00 82.98 18 A 1 ATOM 133 N N . ALA A 1 19 ? 5.079 12.163 -3.438 1.00 93.82 19 A 1 ATOM 134 C CA . ALA A 1 19 ? 5.612 13.317 -2.721 1.00 92.17 19 A 1 ATOM 135 C C . ALA A 1 19 ? 7.084 13.105 -2.381 1.00 91.21 19 A 1 ATOM 136 O O . ALA A 1 19 ? 7.496 13.228 -1.226 1.00 87.55 19 A 1 ATOM 137 C CB . ALA A 1 19 ? 4.801 13.565 -1.454 1.00 89.61 19 A 1 ATOM 138 N N . SER A 1 20 ? 7.847 12.799 -3.407 1.00 90.65 20 A 1 ATOM 139 C CA . SER A 1 20 ? 9.277 12.565 -3.235 1.00 87.68 20 A 1 ATOM 140 C C . SER A 1 20 ? 10.024 13.889 -3.117 1.00 81.74 20 A 1 ATOM 141 O O . SER A 1 20 ? 10.752 14.078 -2.125 1.00 73.60 20 A 1 ATOM 142 C CB . SER A 1 20 ? 9.832 11.759 -4.404 1.00 81.48 20 A 1 ATOM 143 O OG . SER A 1 20 ? 11.192 11.474 -4.188 1.00 73.92 20 A 1 ATOM 144 O OXT . SER A 1 20 ? 9.876 14.717 -4.021 1.00 73.59 20 A 1 #