# 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_spkb07232 # _entry.id spkb07232 # 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" "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 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 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" # _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 HIS 2 1 n ARG 3 1 n HIS 4 1 n ILE 5 1 n LEU 6 1 n ILE 7 1 n LEU 8 1 n PHE 9 1 n LEU 10 1 n PHE 11 1 n GLY 12 1 n CYS 13 1 n LEU 14 1 n SER 15 1 n ALA 16 # _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 @ 2025-07-08 09:49:13)" _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 85.76 _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 76.84 1 1 A HIS 2 2 78.01 1 2 A ARG 3 2 75.26 1 3 A HIS 4 2 84.83 1 4 A ILE 5 2 87.63 1 5 A LEU 6 2 87.68 1 6 A ILE 7 2 89.96 1 7 A LEU 8 2 89.14 1 8 A PHE 9 2 90.64 1 9 A LEU 10 2 89.53 1 10 A PHE 11 2 88.91 1 11 A GLY 12 2 93.05 1 12 A CYS 13 2 92.62 1 13 A LEU 14 2 85.49 1 14 A SER 15 2 86.98 1 15 A ALA 16 2 83.77 1 16 # _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 HIS . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n GLY . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ALA . 16 A 16 # _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 ? -12.131 7.775 0.193 1.00 81.56 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.747 7.421 0.537 1.00 84.05 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.976 6.965 -0.691 1.00 85.86 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.433 6.088 -1.418 1.00 83.45 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.737 6.303 1.574 1.00 78.33 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.959 6.657 2.824 1.00 72.76 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.930 6.280 4.294 1.00 68.53 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.548 7.698 5.308 1.00 60.20 1 A 1 ATOM 9 N N . HIS A 1 2 ? -8.856 7.569 -0.926 1.00 85.75 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -8.037 7.232 -2.085 1.00 88.03 2 A 1 ATOM 11 C C . HIS A 1 2 ? -6.578 7.055 -1.674 1.00 89.55 2 A 1 ATOM 12 O O . HIS A 1 2 ? -6.098 7.701 -0.751 1.00 85.92 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -8.145 8.333 -3.137 1.00 84.39 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -7.845 7.831 -4.520 1.00 76.35 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -8.534 6.800 -5.110 1.00 68.47 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -6.910 8.236 -5.412 1.00 66.82 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -8.025 6.595 -6.317 1.00 66.48 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -7.044 7.454 -6.527 1.00 68.34 2 A 1 ATOM 19 N N . ARG A 1 3 ? -5.915 6.183 -2.386 1.00 84.90 3 A 1 ATOM 20 C CA . ARG A 1 3 ? -4.499 5.929 -2.113 1.00 88.53 3 A 1 ATOM 21 C C . ARG A 1 3 ? -4.280 5.314 -0.741 1.00 91.36 3 A 1 ATOM 22 O O . ARG A 1 3 ? -3.172 5.353 -0.206 1.00 88.36 3 A 1 ATOM 23 C CB . ARG A 1 3 ? -3.703 7.233 -2.224 1.00 85.17 3 A 1 ATOM 24 C CG . ARG A 1 3 ? -3.711 7.791 -3.627 1.00 76.33 3 A 1 ATOM 25 C CD . ARG A 1 3 ? -3.349 9.272 -3.603 1.00 73.26 3 A 1 ATOM 26 N NE . ARG A 1 3 ? -1.902 9.458 -3.636 1.00 65.99 3 A 1 ATOM 27 C CZ . ARG A 1 3 ? -1.315 10.649 -3.646 1.00 61.70 3 A 1 ATOM 28 N NH1 . ARG A 1 3 ? -2.039 11.755 -3.622 1.00 57.06 3 A 1 ATOM 29 N NH2 . ARG A 1 3 ? 0.003 10.735 -3.673 1.00 55.22 3 A 1 ATOM 30 N N . HIS A 1 4 ? -5.337 4.744 -0.188 1.00 89.79 4 A 1 ATOM 31 C CA . HIS A 1 4 ? -5.234 4.115 1.127 1.00 91.97 4 A 1 ATOM 32 C C . HIS A 1 4 ? -4.357 2.869 1.032 1.00 93.81 4 A 1 ATOM 33 O O . HIS A 1 4 ? -3.587 2.560 1.939 1.00 92.25 4 A 1 ATOM 34 C CB . HIS A 1 4 ? -6.617 3.742 1.647 1.00 90.47 4 A 1 ATOM 35 C CG . HIS A 1 4 ? -6.610 3.465 3.119 1.00 86.46 4 A 1 ATOM 36 N ND1 . HIS A 1 4 ? -5.855 2.477 3.698 1.00 74.29 4 A 1 ATOM 37 C CD2 . HIS A 1 4 ? -7.286 4.071 4.134 1.00 74.32 4 A 1 ATOM 38 C CE1 . HIS A 1 4 ? -6.059 2.489 5.002 1.00 76.54 4 A 1 ATOM 39 N NE2 . HIS A 1 4 ? -6.930 3.444 5.296 1.00 78.37 4 A 1 ATOM 40 N N . ILE A 1 5 ? -4.488 2.173 -0.077 1.00 90.21 5 A 1 ATOM 41 C CA . ILE A 1 5 ? -3.684 0.977 -0.314 1.00 90.62 5 A 1 ATOM 42 C C . ILE A 1 5 ? -2.217 1.353 -0.446 1.00 92.16 5 A 1 ATOM 43 O O . ILE A 1 5 ? -1.323 0.569 -0.119 1.00 91.16 5 A 1 ATOM 44 C CB . ILE A 1 5 ? -4.156 0.254 -1.581 1.00 90.38 5 A 1 ATOM 45 C CG1 . ILE A 1 5 ? -5.631 -0.129 -1.441 1.00 85.51 5 A 1 ATOM 46 C CG2 . ILE A 1 5 ? -3.306 -0.978 -1.854 1.00 85.16 5 A 1 ATOM 47 C CD1 . ILE A 1 5 ? -5.863 -1.176 -0.367 1.00 75.83 5 A 1 ATOM 48 N N . LEU A 1 6 ? -1.996 2.546 -0.928 1.00 91.03 6 A 1 ATOM 49 C CA . LEU A 1 6 ? -0.636 3.040 -1.107 1.00 91.06 6 A 1 ATOM 50 C C . LEU A 1 6 ? 0.065 3.169 0.241 1.00 92.58 6 A 1 ATOM 51 O O . LEU A 1 6 ? 1.266 2.943 0.354 1.00 93.25 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -0.666 4.393 -1.812 1.00 91.76 6 A 1 ATOM 53 C CG . LEU A 1 6 ? 0.602 4.703 -2.596 1.00 82.43 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? 0.665 3.857 -3.861 1.00 79.17 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? 0.660 6.179 -2.938 1.00 80.15 6 A 1 ATOM 56 N N . ILE A 1 7 ? -0.699 3.545 1.238 1.00 92.75 7 A 1 ATOM 57 C CA . ILE A 1 7 ? -0.162 3.699 2.588 1.00 92.56 7 A 1 ATOM 58 C C . ILE A 1 7 ? 0.331 2.358 3.109 1.00 93.23 7 A 1 ATOM 59 O O . ILE A 1 7 ? 1.414 2.257 3.687 1.00 92.73 7 A 1 ATOM 60 C CB . ILE A 1 7 ? -1.235 4.262 3.535 1.00 92.89 7 A 1 ATOM 61 C CG1 . ILE A 1 7 ? -1.809 5.563 2.971 1.00 88.87 7 A 1 ATOM 62 C CG2 . ILE A 1 7 ? -0.637 4.493 4.921 1.00 87.98 7 A 1 ATOM 63 C CD1 . ILE A 1 7 ? -0.803 6.689 2.958 1.00 78.70 7 A 1 ATOM 64 N N . LEU A 1 8 ? -0.499 1.347 2.916 1.00 92.08 8 A 1 ATOM 65 C CA . LEU A 1 8 ? -0.141 0.004 3.358 1.00 91.97 8 A 1 ATOM 66 C C . LEU A 1 8 ? 1.046 -0.524 2.568 1.00 93.11 8 A 1 ATOM 67 O O . LEU A 1 8 ? 1.978 -1.099 3.131 1.00 93.33 8 A 1 ATOM 68 C CB . LEU A 1 8 ? -1.340 -0.927 3.186 1.00 92.21 8 A 1 ATOM 69 C CG . LEU A 1 8 ? -2.071 -1.246 4.482 1.00 84.79 8 A 1 ATOM 70 C CD1 . LEU A 1 8 ? -3.571 -1.288 4.256 1.00 82.20 8 A 1 ATOM 71 C CD2 . LEU A 1 8 ? -1.580 -2.572 5.037 1.00 83.44 8 A 1 ATOM 72 N N . PHE A 1 9 ? 0.988 -0.316 1.271 1.00 93.63 9 A 1 ATOM 73 C CA . PHE A 1 9 ? 2.057 -0.762 0.387 1.00 93.59 9 A 1 ATOM 74 C C . PHE A 1 9 ? 3.372 -0.075 0.741 1.00 94.32 9 A 1 ATOM 75 O O . PHE A 1 9 ? 4.413 -0.720 0.841 1.00 93.59 9 A 1 ATOM 76 C CB . PHE A 1 9 ? 1.678 -0.456 -1.057 1.00 93.58 9 A 1 ATOM 77 C CG . PHE A 1 9 ? 2.803 -0.719 -2.016 1.00 91.15 9 A 1 ATOM 78 C CD1 . PHE A 1 9 ? 3.181 -2.014 -2.317 1.00 87.67 9 A 1 ATOM 79 C CD2 . PHE A 1 9 ? 3.479 0.335 -2.605 1.00 88.09 9 A 1 ATOM 80 C CE1 . PHE A 1 9 ? 4.222 -2.257 -3.199 1.00 87.18 9 A 1 ATOM 81 C CE2 . PHE A 1 9 ? 4.526 0.093 -3.488 1.00 86.64 9 A 1 ATOM 82 C CZ . PHE A 1 9 ? 4.895 -1.203 -3.783 1.00 87.57 9 A 1 ATOM 83 N N . LEU A 1 10 ? 3.297 1.225 0.916 1.00 92.51 10 A 1 ATOM 84 C CA . LEU A 1 10 ? 4.484 2.005 1.259 1.00 92.47 10 A 1 ATOM 85 C C . LEU A 1 10 ? 5.020 1.606 2.626 1.00 93.23 10 A 1 ATOM 86 O O . LEU A 1 10 ? 6.223 1.429 2.811 1.00 92.83 10 A 1 ATOM 87 C CB . LEU A 1 10 ? 4.139 3.494 1.249 1.00 92.38 10 A 1 ATOM 88 C CG . LEU A 1 10 ? 4.937 4.315 0.250 1.00 86.56 10 A 1 ATOM 89 C CD1 . LEU A 1 10 ? 4.218 5.620 -0.056 1.00 82.66 10 A 1 ATOM 90 C CD2 . LEU A 1 10 ? 6.326 4.597 0.792 1.00 83.63 10 A 1 ATOM 91 N N . PHE A 1 11 ? 4.112 1.469 3.572 1.00 93.15 11 A 1 ATOM 92 C CA . PHE A 1 11 ? 4.484 1.090 4.932 1.00 92.57 11 A 1 ATOM 93 C C . PHE A 1 11 ? 5.160 -0.272 4.950 1.00 93.50 11 A 1 ATOM 94 O O . PHE A 1 11 ? 6.188 -0.456 5.601 1.00 91.77 11 A 1 ATOM 95 C CB . PHE A 1 11 ? 3.239 1.059 5.814 1.00 91.91 11 A 1 ATOM 96 C CG . PHE A 1 11 ? 3.559 0.813 7.262 1.00 89.21 11 A 1 ATOM 97 C CD1 . PHE A 1 11 ? 4.185 1.783 8.023 1.00 86.01 11 A 1 ATOM 98 C CD2 . PHE A 1 11 ? 3.232 -0.395 7.855 1.00 86.10 11 A 1 ATOM 99 C CE1 . PHE A 1 11 ? 4.482 1.559 9.358 1.00 85.19 11 A 1 ATOM 100 C CE2 . PHE A 1 11 ? 3.529 -0.626 9.193 1.00 83.93 11 A 1 ATOM 101 C CZ . PHE A 1 11 ? 4.154 0.351 9.944 1.00 84.65 11 A 1 ATOM 102 N N . GLY A 1 12 ? 4.555 -1.208 4.248 1.00 93.40 12 A 1 ATOM 103 C CA . GLY A 1 12 ? 5.110 -2.555 4.190 1.00 92.84 12 A 1 ATOM 104 C C . GLY A 1 12 ? 6.427 -2.596 3.444 1.00 93.88 12 A 1 ATOM 105 O O . GLY A 1 12 ? 7.336 -3.340 3.806 1.00 92.07 12 A 1 ATOM 106 N N . CYS A 1 13 ? 6.523 -1.793 2.404 1.00 94.40 13 A 1 ATOM 107 C CA . CYS A 1 13 ? 7.729 -1.738 1.583 1.00 94.52 13 A 1 ATOM 108 C C . CYS A 1 13 ? 8.899 -1.152 2.367 1.00 94.86 13 A 1 ATOM 109 O O . CYS A 1 13 ? 10.003 -1.689 2.344 1.00 91.98 13 A 1 ATOM 110 C CB . CYS A 1 13 ? 7.466 -0.904 0.332 1.00 92.52 13 A 1 ATOM 111 S SG . CYS A 1 13 ? 8.368 -1.529 -1.090 1.00 87.44 13 A 1 ATOM 112 N N . LEU A 1 14 ? 8.647 -0.049 3.035 1.00 89.51 14 A 1 ATOM 113 C CA . LEU A 1 14 ? 9.694 0.609 3.813 1.00 89.39 14 A 1 ATOM 114 C C . LEU A 1 14 ? 9.981 -0.155 5.098 1.00 90.93 14 A 1 ATOM 115 O O . LEU A 1 14 ? 11.079 -0.059 5.652 1.00 87.73 14 A 1 ATOM 116 C CB . LEU A 1 14 ? 9.261 2.045 4.135 1.00 87.13 14 A 1 ATOM 117 C CG . LEU A 1 14 ? 8.275 2.155 5.294 1.00 83.65 14 A 1 ATOM 118 C CD1 . LEU A 1 14 ? 9.019 2.370 6.603 1.00 78.20 14 A 1 ATOM 119 C CD2 . LEU A 1 14 ? 7.319 3.307 5.044 1.00 77.40 14 A 1 ATOM 120 N N . SER A 1 15 ? 9.000 -0.885 5.583 1.00 90.74 15 A 1 ATOM 121 C CA . SER A 1 15 ? 9.151 -1.662 6.810 1.00 91.03 15 A 1 ATOM 122 C C . SER A 1 15 ? 10.124 -2.814 6.618 1.00 90.64 15 A 1 ATOM 123 O O . SER A 1 15 ? 10.714 -3.309 7.575 1.00 86.33 15 A 1 ATOM 124 C CB . SER A 1 15 ? 7.800 -2.201 7.271 1.00 86.88 15 A 1 ATOM 125 O OG . SER A 1 15 ? 7.882 -2.708 8.575 1.00 76.29 15 A 1 ATOM 126 N N . ALA A 1 16 ? 10.278 -3.230 5.374 1.00 91.55 16 A 1 ATOM 127 C CA . ALA A 1 16 ? 11.160 -4.342 5.042 1.00 89.17 16 A 1 ATOM 128 C C . ALA A 1 16 ? 12.607 -4.066 5.486 1.00 86.81 16 A 1 ATOM 129 O O . ALA A 1 16 ? 12.839 -3.240 6.369 1.00 78.98 16 A 1 ATOM 130 C CB . ALA A 1 16 ? 11.099 -4.609 3.546 1.00 82.86 16 A 1 ATOM 131 O OXT . ALA A 1 16 ? 13.527 -4.684 4.996 1.00 73.24 16 A 1 #