# 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_spkb34411 # _entry.id spkb34411 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "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" "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 TRP 2 1 n ASP 3 1 n TYR 4 1 n LYS 5 1 n HIS 6 1 n PHE 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n SER 11 1 n LEU 12 1 n ALA 13 1 n PHE 14 1 n THR 15 1 n SER 16 1 n THR 17 1 n VAL 18 1 n THR 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 @ 2025-07-03 22:09:45)" _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 86.18 _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 77.08 1 1 A TRP 2 2 76.79 1 2 A ASP 3 2 84.88 1 3 A TYR 4 2 87.55 1 4 A LYS 5 2 84.07 1 5 A HIS 6 2 86.95 1 6 A PHE 7 2 87.51 1 7 A LEU 8 2 89.70 1 8 A LEU 9 2 89.76 1 9 A LEU 10 2 89.22 1 10 A SER 11 2 92.24 1 11 A LEU 12 2 90.68 1 12 A ALA 13 2 94.29 1 13 A PHE 14 2 87.86 1 14 A THR 15 2 89.92 1 15 A SER 16 2 89.02 1 16 A THR 17 2 86.58 1 17 A VAL 18 2 87.31 1 18 A THR 19 2 82.80 1 19 A ALA 20 2 78.12 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 TRP . 2 A 2 A 3 1 n ASP . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n HIS . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n PHE . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n THR . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n THR . 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 ? -8.090 -4.564 10.776 1.00 82.94 1 A 1 ATOM 2 C CA . MET A 1 1 ? -7.677 -5.542 9.738 1.00 85.09 1 A 1 ATOM 3 C C . MET A 1 1 ? -6.417 -5.075 9.015 1.00 86.16 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.133 -3.881 8.963 1.00 83.03 1 A 1 ATOM 5 C CB . MET A 1 1 ? -8.810 -5.726 8.730 1.00 79.74 1 A 1 ATOM 6 C CG . MET A 1 1 ? -8.815 -7.104 8.098 1.00 73.17 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.337 -8.350 9.259 1.00 66.22 1 A 1 ATOM 8 C CE . MET A 1 1 ? -8.669 -9.806 8.473 1.00 60.31 1 A 1 ATOM 9 N N . TRP A 1 2 ? -5.656 -6.000 8.468 1.00 82.26 2 A 1 ATOM 10 C CA . TRP A 1 2 ? -4.408 -5.680 7.769 1.00 85.98 2 A 1 ATOM 11 C C . TRP A 1 2 ? -4.593 -5.640 6.251 1.00 88.47 2 A 1 ATOM 12 O O . TRP A 1 2 ? -3.686 -5.248 5.519 1.00 85.72 2 A 1 ATOM 13 C CB . TRP A 1 2 ? -3.355 -6.720 8.143 1.00 81.80 2 A 1 ATOM 14 C CG . TRP A 1 2 ? -2.048 -6.495 7.464 1.00 76.40 2 A 1 ATOM 15 C CD1 . TRP A 1 2 ? -1.405 -7.361 6.644 1.00 73.74 2 A 1 ATOM 16 C CD2 . TRP A 1 2 ? -1.217 -5.321 7.531 1.00 76.89 2 A 1 ATOM 17 N NE1 . TRP A 1 2 ? -0.222 -6.809 6.201 1.00 71.12 2 A 1 ATOM 18 C CE2 . TRP A 1 2 ? -0.087 -5.550 6.729 1.00 75.93 2 A 1 ATOM 19 C CE3 . TRP A 1 2 ? -1.339 -4.094 8.193 1.00 71.43 2 A 1 ATOM 20 C CZ2 . TRP A 1 2 ? 0.922 -4.597 6.582 1.00 71.37 2 A 1 ATOM 21 C CZ3 . TRP A 1 2 ? -0.337 -3.149 8.043 1.00 67.65 2 A 1 ATOM 22 C CH2 . TRP A 1 2 ? 0.776 -3.401 7.249 1.00 66.34 2 A 1 ATOM 23 N N . ASP A 1 3 ? -5.772 -6.037 5.795 1.00 88.51 3 A 1 ATOM 24 C CA . ASP A 1 3 ? -6.038 -6.083 4.358 1.00 90.77 3 A 1 ATOM 25 C C . ASP A 1 3 ? -5.952 -4.690 3.732 1.00 92.31 3 A 1 ATOM 26 O O . ASP A 1 3 ? -5.201 -4.466 2.779 1.00 90.68 3 A 1 ATOM 27 C CB . ASP A 1 3 ? -7.421 -6.689 4.109 1.00 86.45 3 A 1 ATOM 28 C CG . ASP A 1 3 ? -7.509 -7.314 2.730 1.00 79.10 3 A 1 ATOM 29 O OD1 . ASP A 1 3 ? -6.594 -7.103 1.924 1.00 76.48 3 A 1 ATOM 30 O OD2 . ASP A 1 3 ? -8.498 -8.022 2.467 1.00 74.73 3 A 1 ATOM 31 N N . TYR A 1 4 ? -6.709 -3.745 4.280 1.00 92.33 4 A 1 ATOM 32 C CA . TYR A 1 4 ? -6.725 -2.379 3.746 1.00 93.13 4 A 1 ATOM 33 C C . TYR A 1 4 ? -5.518 -1.576 4.236 1.00 94.07 4 A 1 ATOM 34 O O . TYR A 1 4 ? -5.044 -0.677 3.542 1.00 93.09 4 A 1 ATOM 35 C CB . TYR A 1 4 ? -8.035 -1.687 4.141 1.00 91.78 4 A 1 ATOM 36 C CG . TYR A 1 4 ? -7.945 -0.978 5.471 1.00 87.37 4 A 1 ATOM 37 C CD1 . TYR A 1 4 ? -7.485 0.335 5.535 1.00 84.75 4 A 1 ATOM 38 C CD2 . TYR A 1 4 ? -8.303 -1.618 6.642 1.00 83.98 4 A 1 ATOM 39 C CE1 . TYR A 1 4 ? -7.391 0.994 6.752 1.00 82.59 4 A 1 ATOM 40 C CE2 . TYR A 1 4 ? -8.205 -0.967 7.866 1.00 83.86 4 A 1 ATOM 41 C CZ . TYR A 1 4 ? -7.752 0.339 7.910 1.00 82.67 4 A 1 ATOM 42 O OH . TYR A 1 4 ? -7.656 0.982 9.113 1.00 80.99 4 A 1 ATOM 43 N N . LYS A 1 5 ? -5.027 -1.879 5.419 1.00 91.56 5 A 1 ATOM 44 C CA . LYS A 1 5 ? -3.879 -1.165 5.989 1.00 91.86 5 A 1 ATOM 45 C C . LYS A 1 5 ? -2.661 -1.306 5.085 1.00 91.78 5 A 1 ATOM 46 O O . LYS A 1 5 ? -1.869 -0.376 4.945 1.00 91.12 5 A 1 ATOM 47 C CB . LYS A 1 5 ? -3.583 -1.696 7.391 1.00 91.74 5 A 1 ATOM 48 C CG . LYS A 1 5 ? -4.627 -1.272 8.397 1.00 84.19 5 A 1 ATOM 49 C CD . LYS A 1 5 ? -4.329 -1.835 9.775 1.00 79.46 5 A 1 ATOM 50 C CE . LYS A 1 5 ? -3.227 -1.045 10.462 1.00 70.97 5 A 1 ATOM 51 N NZ . LYS A 1 5 ? -3.708 0.312 10.837 1.00 63.94 5 A 1 ATOM 52 N N . HIS A 1 6 ? -2.523 -2.453 4.466 1.00 91.01 6 A 1 ATOM 53 C CA . HIS A 1 6 ? -1.405 -2.692 3.551 1.00 91.61 6 A 1 ATOM 54 C C . HIS A 1 6 ? -1.489 -1.735 2.361 1.00 92.90 6 A 1 ATOM 55 O O . HIS A 1 6 ? -0.478 -1.228 1.886 1.00 91.60 6 A 1 ATOM 56 C CB . HIS A 1 6 ? -1.444 -4.143 3.069 1.00 90.41 6 A 1 ATOM 57 C CG . HIS A 1 6 ? -0.091 -4.633 2.645 1.00 88.37 6 A 1 ATOM 58 N ND1 . HIS A 1 6 ? 0.301 -4.713 1.334 1.00 79.56 6 A 1 ATOM 59 C CD2 . HIS A 1 6 ? 0.956 -5.069 3.382 1.00 80.20 6 A 1 ATOM 60 C CE1 . HIS A 1 6 ? 1.538 -5.182 1.280 1.00 81.02 6 A 1 ATOM 61 N NE2 . HIS A 1 6 ? 1.971 -5.411 2.514 1.00 82.83 6 A 1 ATOM 62 N N . PHE A 1 7 ? -2.696 -1.482 1.896 1.00 90.33 7 A 1 ATOM 63 C CA . PHE A 1 7 ? -2.919 -0.565 0.777 1.00 90.62 7 A 1 ATOM 64 C C . PHE A 1 7 ? -2.538 0.863 1.168 1.00 92.46 7 A 1 ATOM 65 O O . PHE A 1 7 ? -1.881 1.571 0.400 1.00 91.85 7 A 1 ATOM 66 C CB . PHE A 1 7 ? -4.391 -0.640 0.362 1.00 89.94 7 A 1 ATOM 67 C CG . PHE A 1 7 ? -4.704 0.208 -0.846 1.00 88.28 7 A 1 ATOM 68 C CD1 . PHE A 1 7 ? -3.719 0.556 -1.748 1.00 85.45 7 A 1 ATOM 69 C CD2 . PHE A 1 7 ? -6.003 0.642 -1.073 1.00 85.52 7 A 1 ATOM 70 C CE1 . PHE A 1 7 ? -4.010 1.335 -2.859 1.00 82.89 7 A 1 ATOM 71 C CE2 . PHE A 1 7 ? -6.300 1.416 -2.185 1.00 83.36 7 A 1 ATOM 72 C CZ . PHE A 1 7 ? -5.303 1.764 -3.072 1.00 81.91 7 A 1 ATOM 73 N N . LEU A 1 8 ? -2.934 1.287 2.360 1.00 92.56 8 A 1 ATOM 74 C CA . LEU A 1 8 ? -2.629 2.637 2.835 1.00 93.07 8 A 1 ATOM 75 C C . LEU A 1 8 ? -1.123 2.827 3.012 1.00 94.15 8 A 1 ATOM 76 O O . LEU A 1 8 ? -0.565 3.855 2.630 1.00 93.97 8 A 1 ATOM 77 C CB . LEU A 1 8 ? -3.358 2.900 4.159 1.00 93.00 8 A 1 ATOM 78 C CG . LEU A 1 8 ? -4.763 3.489 4.002 1.00 85.53 8 A 1 ATOM 79 C CD1 . LEU A 1 8 ? -4.688 4.838 3.310 1.00 82.80 8 A 1 ATOM 80 C CD2 . LEU A 1 8 ? -5.655 2.552 3.210 1.00 82.56 8 A 1 ATOM 81 N N . LEU A 1 9 ? -0.474 1.844 3.596 1.00 93.50 9 A 1 ATOM 82 C CA . LEU A 1 9 ? 0.970 1.917 3.822 1.00 93.42 9 A 1 ATOM 83 C C . LEU A 1 9 ? 1.730 1.915 2.501 1.00 94.23 9 A 1 ATOM 84 O O . LEU A 1 9 ? 2.717 2.636 2.344 1.00 94.06 9 A 1 ATOM 85 C CB . LEU A 1 9 ? 1.415 0.732 4.686 1.00 92.84 9 A 1 ATOM 86 C CG . LEU A 1 9 ? 0.894 0.783 6.119 1.00 84.76 9 A 1 ATOM 87 C CD1 . LEU A 1 9 ? 1.432 -0.397 6.912 1.00 82.93 9 A 1 ATOM 88 C CD2 . LEU A 1 9 ? 1.299 2.086 6.801 1.00 82.31 9 A 1 ATOM 89 N N . LEU A 1 10 ? 1.276 1.117 1.563 1.00 92.39 10 A 1 ATOM 90 C CA . LEU A 1 10 ? 1.919 1.047 0.251 1.00 92.09 10 A 1 ATOM 91 C C . LEU A 1 10 ? 1.795 2.382 -0.473 1.00 93.36 10 A 1 ATOM 92 O O . LEU A 1 10 ? 2.733 2.837 -1.126 1.00 92.87 10 A 1 ATOM 93 C CB . LEU A 1 10 ? 1.288 -0.079 -0.577 1.00 91.43 10 A 1 ATOM 94 C CG . LEU A 1 10 ? 2.142 -1.350 -0.641 1.00 85.98 10 A 1 ATOM 95 C CD1 . LEU A 1 10 ? 3.421 -1.090 -1.406 1.00 82.88 10 A 1 ATOM 96 C CD2 . LEU A 1 10 ? 2.459 -1.841 0.769 1.00 82.74 10 A 1 ATOM 97 N N . SER A 1 11 ? 0.657 3.018 -0.346 1.00 93.47 11 A 1 ATOM 98 C CA . SER A 1 11 ? 0.418 4.309 -0.983 1.00 93.85 11 A 1 ATOM 99 C C . SER A 1 11 ? 1.339 5.375 -0.393 1.00 94.49 11 A 1 ATOM 100 O O . SER A 1 11 ? 1.889 6.205 -1.115 1.00 93.29 11 A 1 ATOM 101 C CB . SER A 1 11 ? -1.042 4.711 -0.797 1.00 93.01 11 A 1 ATOM 102 O OG . SER A 1 11 ? -1.330 5.849 -1.573 1.00 85.35 11 A 1 ATOM 103 N N . LEU A 1 12 ? 1.512 5.350 0.917 1.00 94.13 12 A 1 ATOM 104 C CA . LEU A 1 12 ? 2.386 6.307 1.595 1.00 93.55 12 A 1 ATOM 105 C C . LEU A 1 12 ? 3.832 6.115 1.162 1.00 94.17 12 A 1 ATOM 106 O O . LEU A 1 12 ? 4.533 7.081 0.858 1.00 92.80 12 A 1 ATOM 107 C CB . LEU A 1 12 ? 2.278 6.124 3.109 1.00 92.88 12 A 1 ATOM 108 C CG . LEU A 1 12 ? 3.059 7.181 3.893 1.00 88.66 12 A 1 ATOM 109 C CD1 . LEU A 1 12 ? 2.143 8.321 4.311 1.00 84.49 12 A 1 ATOM 110 C CD2 . LEU A 1 12 ? 3.701 6.559 5.124 1.00 84.73 12 A 1 ATOM 111 N N . ALA A 1 13 ? 4.287 4.876 1.144 1.00 94.70 13 A 1 ATOM 112 C CA . ALA A 1 13 ? 5.657 4.568 0.745 1.00 94.65 13 A 1 ATOM 113 C C . ALA A 1 13 ? 5.888 4.916 -0.722 1.00 95.18 13 A 1 ATOM 114 O O . ALA A 1 13 ? 6.938 5.442 -1.080 1.00 93.33 13 A 1 ATOM 115 C CB . ALA A 1 13 ? 5.945 3.093 0.996 1.00 93.57 13 A 1 ATOM 116 N N . PHE A 1 14 ? 4.913 4.636 -1.550 1.00 93.13 14 A 1 ATOM 117 C CA . PHE A 1 14 ? 5.017 4.912 -2.980 1.00 92.28 14 A 1 ATOM 118 C C . PHE A 1 14 ? 5.119 6.413 -3.232 1.00 93.32 14 A 1 ATOM 119 O O . PHE A 1 14 ? 5.966 6.866 -4.003 1.00 91.51 14 A 1 ATOM 120 C CB . PHE A 1 14 ? 3.798 4.333 -3.696 1.00 90.85 14 A 1 ATOM 121 C CG . PHE A 1 14 ? 3.975 4.288 -5.193 1.00 87.42 14 A 1 ATOM 122 C CD1 . PHE A 1 14 ? 4.960 3.505 -5.760 1.00 84.73 14 A 1 ATOM 123 C CD2 . PHE A 1 14 ? 3.148 5.030 -6.020 1.00 84.49 14 A 1 ATOM 124 C CE1 . PHE A 1 14 ? 5.129 3.459 -7.137 1.00 83.10 14 A 1 ATOM 125 C CE2 . PHE A 1 14 ? 3.312 4.989 -7.400 1.00 82.73 14 A 1 ATOM 126 C CZ . PHE A 1 14 ? 4.302 4.202 -7.956 1.00 82.89 14 A 1 ATOM 127 N N . THR A 1 15 ? 4.276 7.174 -2.584 1.00 94.17 15 A 1 ATOM 128 C CA . THR A 1 15 ? 4.274 8.627 -2.759 1.00 93.68 15 A 1 ATOM 129 C C . THR A 1 15 ? 5.512 9.262 -2.128 1.00 93.56 15 A 1 ATOM 130 O O . THR A 1 15 ? 6.129 10.152 -2.717 1.00 90.12 15 A 1 ATOM 131 C CB . THR A 1 15 ? 3.018 9.239 -2.138 1.00 91.29 15 A 1 ATOM 132 O OG1 . THR A 1 15 ? 1.862 8.563 -2.624 1.00 84.13 15 A 1 ATOM 133 C CG2 . THR A 1 15 ? 2.911 10.705 -2.509 1.00 82.50 15 A 1 ATOM 134 N N . SER A 1 16 ? 5.874 8.825 -0.937 1.00 92.94 16 A 1 ATOM 135 C CA . SER A 1 16 ? 7.040 9.360 -0.235 1.00 92.09 16 A 1 ATOM 136 C C . SER A 1 16 ? 8.333 9.005 -0.956 1.00 92.43 16 A 1 ATOM 137 O O . SER A 1 16 ? 9.259 9.809 -1.005 1.00 88.45 16 A 1 ATOM 138 C CB . SER A 1 16 ? 7.088 8.826 1.193 1.00 89.05 16 A 1 ATOM 139 O OG . SER A 1 16 ? 6.019 9.356 1.946 1.00 79.14 16 A 1 ATOM 140 N N . THR A 1 17 ? 8.399 7.812 -1.496 1.00 90.93 17 A 1 ATOM 141 C CA . THR A 1 17 ? 9.601 7.369 -2.207 1.00 90.54 17 A 1 ATOM 142 C C . THR A 1 17 ? 9.828 8.202 -3.465 1.00 90.47 17 A 1 ATOM 143 O O . THR A 1 17 ? 10.954 8.599 -3.762 1.00 86.34 17 A 1 ATOM 144 C CB . THR A 1 17 ? 9.486 5.888 -2.583 1.00 87.74 17 A 1 ATOM 145 O OG1 . THR A 1 17 ? 9.327 5.111 -1.401 1.00 81.05 17 A 1 ATOM 146 C CG2 . THR A 1 17 ? 10.737 5.416 -3.301 1.00 78.98 17 A 1 ATOM 147 N N . VAL A 1 18 ? 8.774 8.476 -4.196 1.00 91.05 18 A 1 ATOM 148 C CA . VAL A 1 18 ? 8.873 9.271 -5.418 1.00 90.09 18 A 1 ATOM 149 C C . VAL A 1 18 ? 9.136 10.739 -5.090 1.00 90.83 18 A 1 ATOM 150 O O . VAL A 1 18 ? 9.870 11.426 -5.806 1.00 87.95 18 A 1 ATOM 151 C CB . VAL A 1 18 ? 7.594 9.134 -6.253 1.00 86.97 18 A 1 ATOM 152 C CG1 . VAL A 1 18 ? 7.691 9.978 -7.512 1.00 81.84 18 A 1 ATOM 153 C CG2 . VAL A 1 18 ? 7.356 7.680 -6.620 1.00 82.44 18 A 1 ATOM 154 N N . THR A 1 19 ? 8.552 11.214 -4.011 1.00 88.03 19 A 1 ATOM 155 C CA . THR A 1 19 ? 8.712 12.606 -3.582 1.00 88.19 19 A 1 ATOM 156 C C . THR A 1 19 ? 9.717 12.713 -2.438 1.00 87.72 19 A 1 ATOM 157 O O . THR A 1 19 ? 9.489 13.434 -1.466 1.00 82.68 19 A 1 ATOM 158 C CB . THR A 1 19 ? 7.364 13.182 -3.134 1.00 83.38 19 A 1 ATOM 159 O OG1 . THR A 1 19 ? 6.334 12.741 -4.014 1.00 75.76 19 A 1 ATOM 160 C CG2 . THR A 1 19 ? 7.394 14.694 -3.135 1.00 73.81 19 A 1 ATOM 161 N N . ALA A 1 20 ? 10.824 12.005 -2.558 1.00 85.34 20 A 1 ATOM 162 C CA . ALA A 1 20 ? 11.850 11.991 -1.514 1.00 82.93 20 A 1 ATOM 163 C C . ALA A 1 20 ? 12.508 13.365 -1.417 1.00 80.63 20 A 1 ATOM 164 O O . ALA A 1 20 ? 12.395 14.006 -0.358 1.00 74.26 20 A 1 ATOM 165 C CB . ALA A 1 20 ? 12.892 10.920 -1.816 1.00 75.72 20 A 1 ATOM 166 O OXT . ALA A 1 20 ? 13.153 13.767 -2.373 1.00 69.87 20 A 1 #