# 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_spkb31341 # _entry.id spkb31341 # 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 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)O)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" "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" # _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 GLN 2 1 n LEU 3 1 n ASN 4 1 n LYS 5 1 n LEU 6 1 n MET 7 1 n LEU 8 1 n GLY 9 1 n PHE 10 1 n MET 11 1 n LEU 12 1 n CYS 13 1 n ALA 14 1 n SER 15 1 n ALA 16 1 n LEU 17 1 n ALA 18 # _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 18:02:05)" _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 91.44 _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 82.14 1 1 A GLN 2 2 86.27 1 2 A LEU 3 2 91.86 1 3 A ASN 4 2 89.99 1 4 A LYS 5 2 90.65 1 5 A LEU 6 2 92.90 1 6 A MET 7 2 90.20 1 7 A LEU 8 2 92.66 1 8 A GLY 9 2 96.87 1 9 A PHE 10 2 93.20 1 10 A MET 11 2 92.06 1 11 A LEU 12 2 94.39 1 12 A CYS 13 2 95.45 1 13 A ALA 14 2 96.46 1 14 A SER 15 2 94.26 1 15 A ALA 16 2 96.21 1 16 A LEU 17 2 90.68 1 17 A ALA 18 2 86.68 1 18 # _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 GLN . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n MET . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n GLY . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n MET . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -11.267 1.870 7.077 1.00 88.28 1 A 1 ATOM 2 C CA . MET A 1 1 ? -9.853 2.268 7.166 1.00 89.78 1 A 1 ATOM 3 C C . MET A 1 1 ? -8.910 1.288 6.470 1.00 91.64 1 A 1 ATOM 4 O O . MET A 1 1 ? -7.707 1.516 6.452 1.00 88.42 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.448 2.408 8.636 1.00 83.29 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.746 3.789 9.182 1.00 77.92 1 A 1 ATOM 7 S SD . MET A 1 1 ? -9.146 3.975 10.861 1.00 73.40 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.553 5.677 11.156 1.00 64.36 1 A 1 ATOM 9 N N . GLN A 1 2 ? -9.465 0.229 5.923 1.00 91.45 2 A 1 ATOM 10 C CA . GLN A 1 2 ? -8.640 -0.797 5.285 1.00 94.59 2 A 1 ATOM 11 C C . GLN A 1 2 ? -7.953 -0.265 4.028 1.00 95.86 2 A 1 ATOM 12 O O . GLN A 1 2 ? -6.743 -0.429 3.862 1.00 94.02 2 A 1 ATOM 13 C CB . GLN A 1 2 ? -9.501 -2.018 4.963 1.00 92.64 2 A 1 ATOM 14 C CG . GLN A 1 2 ? -10.024 -2.732 6.205 1.00 82.25 2 A 1 ATOM 15 C CD . GLN A 1 2 ? -8.961 -3.573 6.888 1.00 80.08 2 A 1 ATOM 16 O OE1 . GLN A 1 2 ? -7.965 -3.064 7.370 1.00 74.63 2 A 1 ATOM 17 N NE2 . GLN A 1 2 ? -9.151 -4.872 6.922 1.00 70.88 2 A 1 ATOM 18 N N . LEU A 1 3 ? -8.715 0.391 3.150 1.00 94.57 3 A 1 ATOM 19 C CA . LEU A 1 3 ? -8.168 0.933 1.904 1.00 95.27 3 A 1 ATOM 20 C C . LEU A 1 3 ? -7.123 2.012 2.169 1.00 96.25 3 A 1 ATOM 21 O O . LEU A 1 3 ? -6.068 2.033 1.532 1.00 95.25 3 A 1 ATOM 22 C CB . LEU A 1 3 ? -9.305 1.493 1.042 1.00 94.32 3 A 1 ATOM 23 C CG . LEU A 1 3 ? -10.075 0.424 0.274 1.00 89.89 3 A 1 ATOM 24 C CD1 . LEU A 1 3 ? -11.431 0.958 -0.150 1.00 85.44 3 A 1 ATOM 25 C CD2 . LEU A 1 3 ? -9.291 -0.016 -0.958 1.00 83.93 3 A 1 ATOM 26 N N . ASN A 1 4 ? -7.402 2.896 3.117 1.00 93.33 4 A 1 ATOM 27 C CA . ASN A 1 4 ? -6.476 3.975 3.465 1.00 94.01 4 A 1 ATOM 28 C C . ASN A 1 4 ? -5.190 3.414 4.076 1.00 95.10 4 A 1 ATOM 29 O O . ASN A 1 4 ? -4.096 3.892 3.790 1.00 95.16 4 A 1 ATOM 30 C CB . ASN A 1 4 ? -7.159 4.945 4.432 1.00 93.05 4 A 1 ATOM 31 C CG . ASN A 1 4 ? -6.739 6.372 4.161 1.00 88.42 4 A 1 ATOM 32 O OD1 . ASN A 1 4 ? -5.587 6.740 4.302 1.00 80.86 4 A 1 ATOM 33 N ND2 . ASN A 1 4 ? -7.672 7.209 3.759 1.00 80.00 4 A 1 ATOM 34 N N . LYS A 1 5 ? -5.316 2.372 4.889 1.00 95.65 5 A 1 ATOM 35 C CA . LYS A 1 5 ? -4.172 1.695 5.498 1.00 96.03 5 A 1 ATOM 36 C C . LYS A 1 5 ? -3.295 1.062 4.421 1.00 96.45 5 A 1 ATOM 37 O O . LYS A 1 5 ? -2.068 1.146 4.483 1.00 96.37 5 A 1 ATOM 38 C CB . LYS A 1 5 ? -4.677 0.637 6.477 1.00 95.85 5 A 1 ATOM 39 C CG . LYS A 1 5 ? -3.596 0.123 7.411 1.00 90.24 5 A 1 ATOM 40 C CD . LYS A 1 5 ? -3.489 0.985 8.664 1.00 87.19 5 A 1 ATOM 41 C CE . LYS A 1 5 ? -2.538 0.348 9.663 1.00 82.94 5 A 1 ATOM 42 N NZ . LYS A 1 5 ? -2.310 1.222 10.831 1.00 75.12 5 A 1 ATOM 43 N N . LEU A 1 6 ? -3.931 0.441 3.427 1.00 95.61 6 A 1 ATOM 44 C CA . LEU A 1 6 ? -3.232 -0.170 2.305 1.00 95.86 6 A 1 ATOM 45 C C . LEU A 1 6 ? -2.492 0.888 1.492 1.00 96.57 6 A 1 ATOM 46 O O . LEU A 1 6 ? -1.335 0.691 1.118 1.00 96.11 6 A 1 ATOM 47 C CB . LEU A 1 6 ? -4.237 -0.931 1.429 1.00 95.89 6 A 1 ATOM 48 C CG . LEU A 1 6 ? -4.230 -2.456 1.572 1.00 90.17 6 A 1 ATOM 49 C CD1 . LEU A 1 6 ? -2.988 -3.051 0.928 1.00 86.01 6 A 1 ATOM 50 C CD2 . LEU A 1 6 ? -4.325 -2.892 3.017 1.00 86.98 6 A 1 ATOM 51 N N . MET A 1 7 ? -3.150 2.008 1.234 1.00 96.02 7 A 1 ATOM 52 C CA . MET A 1 7 ? -2.543 3.109 0.484 1.00 95.50 7 A 1 ATOM 53 C C . MET A 1 7 ? -1.298 3.647 1.193 1.00 96.06 7 A 1 ATOM 54 O O . MET A 1 7 ? -0.275 3.875 0.550 1.00 95.87 7 A 1 ATOM 55 C CB . MET A 1 7 ? -3.564 4.226 0.281 1.00 95.37 7 A 1 ATOM 56 C CG . MET A 1 7 ? -4.592 3.867 -0.777 1.00 89.18 7 A 1 ATOM 57 S SD . MET A 1 7 ? -5.156 5.306 -1.688 1.00 81.21 7 A 1 ATOM 58 C CE . MET A 1 7 ? -5.852 4.501 -3.116 1.00 72.42 7 A 1 ATOM 59 N N . LEU A 1 8 ? -1.384 3.806 2.498 1.00 95.36 8 A 1 ATOM 60 C CA . LEU A 1 8 ? -0.244 4.269 3.286 1.00 95.61 8 A 1 ATOM 61 C C . LEU A 1 8 ? 0.920 3.285 3.205 1.00 96.31 8 A 1 ATOM 62 O O . LEU A 1 8 ? 2.071 3.687 3.042 1.00 96.01 8 A 1 ATOM 63 C CB . LEU A 1 8 ? -0.658 4.465 4.747 1.00 95.54 8 A 1 ATOM 64 C CG . LEU A 1 8 ? -0.468 5.899 5.238 1.00 88.99 8 A 1 ATOM 65 C CD1 . LEU A 1 8 ? -1.648 6.768 4.823 1.00 86.38 8 A 1 ATOM 66 C CD2 . LEU A 1 8 ? -0.308 5.917 6.743 1.00 87.08 8 A 1 ATOM 67 N N . GLY A 1 9 ? 0.606 1.998 3.304 1.00 96.70 9 A 1 ATOM 68 C CA . GLY A 1 9 ? 1.617 0.950 3.210 1.00 96.72 9 A 1 ATOM 69 C C . GLY A 1 9 ? 2.288 0.928 1.849 1.00 97.19 9 A 1 ATOM 70 O O . GLY A 1 9 ? 3.506 0.792 1.757 1.00 96.87 9 A 1 ATOM 71 N N . PHE A 1 10 ? 1.489 1.080 0.785 1.00 96.16 10 A 1 ATOM 72 C CA . PHE A 1 10 ? 2.009 1.112 -0.577 1.00 96.05 10 A 1 ATOM 73 C C . PHE A 1 10 ? 2.907 2.324 -0.807 1.00 96.52 10 A 1 ATOM 74 O O . PHE A 1 10 ? 3.963 2.205 -1.435 1.00 95.87 10 A 1 ATOM 75 C CB . PHE A 1 10 ? 0.850 1.113 -1.574 1.00 95.73 10 A 1 ATOM 76 C CG . PHE A 1 10 ? 0.407 -0.280 -1.953 1.00 93.45 10 A 1 ATOM 77 C CD1 . PHE A 1 10 ? 1.216 -1.073 -2.758 1.00 90.25 10 A 1 ATOM 78 C CD2 . PHE A 1 10 ? -0.808 -0.780 -1.508 1.00 91.02 10 A 1 ATOM 79 C CE1 . PHE A 1 10 ? 0.819 -2.354 -3.115 1.00 90.17 10 A 1 ATOM 80 C CE2 . PHE A 1 10 ? -1.210 -2.063 -1.861 1.00 89.55 10 A 1 ATOM 81 C CZ . PHE A 1 10 ? -0.394 -2.850 -2.665 1.00 90.44 10 A 1 ATOM 82 N N . MET A 1 11 ? 2.507 3.478 -0.296 1.00 96.21 11 A 1 ATOM 83 C CA . MET A 1 11 ? 3.309 4.699 -0.425 1.00 96.13 11 A 1 ATOM 84 C C . MET A 1 11 ? 4.650 4.557 0.301 1.00 96.54 11 A 1 ATOM 85 O O . MET A 1 11 ? 5.688 4.958 -0.221 1.00 95.35 11 A 1 ATOM 86 C CB . MET A 1 11 ? 2.532 5.895 0.125 1.00 95.49 11 A 1 ATOM 87 C CG . MET A 1 11 ? 1.351 6.263 -0.756 1.00 92.94 11 A 1 ATOM 88 S SD . MET A 1 11 ? 1.271 8.016 -1.095 1.00 85.94 11 A 1 ATOM 89 C CE . MET A 1 11 ? -0.301 8.119 -1.931 1.00 77.84 11 A 1 ATOM 90 N N . LEU A 1 12 ? 4.614 3.959 1.484 1.00 95.97 12 A 1 ATOM 91 C CA . LEU A 1 12 ? 5.831 3.722 2.256 1.00 96.11 12 A 1 ATOM 92 C C . LEU A 1 12 ? 6.750 2.734 1.550 1.00 96.66 12 A 1 ATOM 93 O O . LEU A 1 12 ? 7.961 2.957 1.473 1.00 96.00 12 A 1 ATOM 94 C CB . LEU A 1 12 ? 5.462 3.215 3.654 1.00 95.79 12 A 1 ATOM 95 C CG . LEU A 1 12 ? 5.629 4.279 4.742 1.00 93.31 12 A 1 ATOM 96 C CD1 . LEU A 1 12 ? 4.841 3.889 5.981 1.00 90.50 12 A 1 ATOM 97 C CD2 . LEU A 1 12 ? 7.094 4.451 5.101 1.00 90.79 12 A 1 ATOM 98 N N . CYS A 1 13 ? 6.180 1.664 1.010 1.00 97.01 13 A 1 ATOM 99 C CA . CYS A 1 13 ? 6.947 0.663 0.277 1.00 96.87 13 A 1 ATOM 100 C C . CYS A 1 13 ? 7.594 1.268 -0.967 1.00 96.93 13 A 1 ATOM 101 O O . CYS A 1 13 ? 8.765 1.024 -1.240 1.00 95.66 13 A 1 ATOM 102 C CB . CYS A 1 13 ? 6.043 -0.506 -0.113 1.00 95.87 13 A 1 ATOM 103 S SG . CYS A 1 13 ? 6.050 -1.797 1.147 1.00 90.37 13 A 1 ATOM 104 N N . ALA A 1 14 ? 6.830 2.056 -1.702 1.00 96.74 14 A 1 ATOM 105 C CA . ALA A 1 14 ? 7.336 2.706 -2.910 1.00 96.68 14 A 1 ATOM 106 C C . ALA A 1 14 ? 8.459 3.691 -2.580 1.00 97.12 14 A 1 ATOM 107 O O . ALA A 1 14 ? 9.454 3.767 -3.303 1.00 96.14 14 A 1 ATOM 108 C CB . ALA A 1 14 ? 6.187 3.410 -3.625 1.00 95.60 14 A 1 ATOM 109 N N . SER A 1 15 ? 8.314 4.428 -1.492 1.00 96.51 15 A 1 ATOM 110 C CA . SER A 1 15 ? 9.328 5.384 -1.045 1.00 96.20 15 A 1 ATOM 111 C C . SER A 1 15 ? 10.583 4.673 -0.538 1.00 96.54 15 A 1 ATOM 112 O O . SER A 1 15 ? 11.700 5.138 -0.769 1.00 95.18 15 A 1 ATOM 113 C CB . SER A 1 15 ? 8.754 6.284 0.046 1.00 94.85 15 A 1 ATOM 114 O OG . SER A 1 15 ? 9.600 7.379 0.272 1.00 86.31 15 A 1 ATOM 115 N N . ALA A 1 16 ? 10.406 3.548 0.136 1.00 96.58 16 A 1 ATOM 116 C CA . ALA A 1 16 ? 11.525 2.765 0.660 1.00 96.48 16 A 1 ATOM 117 C C . ALA A 1 16 ? 12.296 2.060 -0.457 1.00 96.95 16 A 1 ATOM 118 O O . ALA A 1 16 ? 13.513 1.893 -0.359 1.00 95.60 16 A 1 ATOM 119 C CB . ALA A 1 16 ? 11.008 1.748 1.673 1.00 95.44 16 A 1 ATOM 120 N N . LEU A 1 17 ? 11.592 1.649 -1.507 1.00 95.38 17 A 1 ATOM 121 C CA . LEU A 1 17 ? 12.213 0.993 -2.657 1.00 94.72 17 A 1 ATOM 122 C C . LEU A 1 17 ? 13.014 1.967 -3.507 1.00 94.91 17 A 1 ATOM 123 O O . LEU A 1 17 ? 14.028 1.587 -4.101 1.00 92.79 17 A 1 ATOM 124 C CB . LEU A 1 17 ? 11.136 0.311 -3.501 1.00 92.82 17 A 1 ATOM 125 C CG . LEU A 1 17 ? 10.705 -1.049 -2.964 1.00 88.52 17 A 1 ATOM 126 C CD1 . LEU A 1 17 ? 9.339 -1.426 -3.507 1.00 83.64 17 A 1 ATOM 127 C CD2 . LEU A 1 17 ? 11.724 -2.114 -3.341 1.00 82.63 17 A 1 ATOM 128 N N . ALA A 1 18 ? 12.561 3.206 -3.580 1.00 91.99 18 A 1 ATOM 129 C CA . ALA A 1 18 ? 13.215 4.241 -4.369 1.00 90.51 18 A 1 ATOM 130 C C . ALA A 1 18 ? 14.378 4.879 -3.608 1.00 89.49 18 A 1 ATOM 131 O O . ALA A 1 18 ? 14.287 5.032 -2.381 1.00 84.06 18 A 1 ATOM 132 C CB . ALA A 1 18 ? 12.202 5.288 -4.798 1.00 85.58 18 A 1 ATOM 133 O OXT . ALA A 1 18 ? 15.367 5.259 -4.237 1.00 78.46 18 A 1 #