# 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_spkb28832 # _entry.id spkb28832 # 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" "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" "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" "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" "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 THR 3 1 n ILE 4 1 n TRP 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n ALA 9 1 n THR 10 1 n CYS 11 1 n ILE 12 1 n HIS 13 1 n VAL 14 1 n PHE 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 @ 2025-07-11 11:06:32)" _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 91.91 _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 84.79 1 1 A LYS 2 2 84.64 1 2 A THR 3 2 90.60 1 3 A ILE 4 2 92.49 1 4 A TRP 5 2 89.53 1 5 A LEU 6 2 93.50 1 6 A LEU 7 2 94.33 1 7 A LEU 8 2 93.98 1 8 A ALA 9 2 97.06 1 9 A THR 10 2 95.28 1 10 A CYS 11 2 96.74 1 11 A ILE 12 2 95.37 1 12 A HIS 13 2 93.17 1 13 A VAL 14 2 94.82 1 14 A PHE 15 2 90.46 1 15 A ALA 16 2 89.98 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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n ILE . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n CYS . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n HIS . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n PHE . 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 ? -13.396 0.978 -0.332 1.00 90.91 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.408 0.001 0.152 1.00 91.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.066 0.684 0.402 1.00 92.77 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.322 0.947 -0.539 1.00 90.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.207 -1.115 -0.878 1.00 87.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.472 -1.912 -1.119 1.00 81.53 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.249 -3.156 -2.401 1.00 76.55 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.869 -3.892 -2.417 1.00 66.55 1 A 1 ATOM 9 N N . LYS A 1 2 ? -10.765 0.986 1.657 1.00 91.76 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -9.511 1.640 2.012 1.00 93.27 2 A 1 ATOM 11 C C . LYS A 1 2 ? -8.427 0.626 2.367 1.00 94.74 2 A 1 ATOM 12 O O . LYS A 1 2 ? -7.242 0.952 2.372 1.00 93.37 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -9.738 2.621 3.165 1.00 90.67 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -10.544 2.048 4.317 1.00 82.36 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.843 3.121 5.343 1.00 79.33 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.861 2.655 6.364 1.00 71.86 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -12.221 3.749 7.298 1.00 64.38 2 A 1 ATOM 18 N N . THR A 1 3 ? -8.842 -0.605 2.647 1.00 92.46 3 A 1 ATOM 19 C CA . THR A 1 3 ? -7.906 -1.675 2.990 1.00 94.32 3 A 1 ATOM 20 C C . THR A 1 3 ? -7.047 -2.052 1.787 1.00 95.34 3 A 1 ATOM 21 O O . THR A 1 3 ? -5.886 -2.437 1.934 1.00 93.79 3 A 1 ATOM 22 C CB . THR A 1 3 ? -8.652 -2.917 3.490 1.00 92.83 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -9.609 -2.547 4.482 1.00 83.91 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -7.692 -3.930 4.075 1.00 81.56 3 A 1 ATOM 25 N N . ILE A 1 4 ? -7.630 -1.924 0.596 1.00 95.27 4 A 1 ATOM 26 C CA . ILE A 1 4 ? -6.915 -2.226 -0.641 1.00 94.97 4 A 1 ATOM 27 C C . ILE A 1 4 ? -5.729 -1.288 -0.810 1.00 95.57 4 A 1 ATOM 28 O O . ILE A 1 4 ? -4.646 -1.701 -1.223 1.00 94.97 4 A 1 ATOM 29 C CB . ILE A 1 4 ? -7.855 -2.121 -1.859 1.00 94.68 4 A 1 ATOM 30 C CG1 . ILE A 1 4 ? -9.045 -3.083 -1.710 1.00 90.74 4 A 1 ATOM 31 C CG2 . ILE A 1 4 ? -7.097 -2.417 -3.150 1.00 90.04 4 A 1 ATOM 32 C CD1 . ILE A 1 4 ? -8.644 -4.545 -1.631 1.00 83.65 4 A 1 ATOM 33 N N . TRP A 1 5 ? -5.941 -0.010 -0.489 1.00 93.96 5 A 1 ATOM 34 C CA . TRP A 1 5 ? -4.892 0.991 -0.597 1.00 94.20 5 A 1 ATOM 35 C C . TRP A 1 5 ? -3.755 0.694 0.371 1.00 94.97 5 A 1 ATOM 36 O O . TRP A 1 5 ? -2.584 0.881 0.041 1.00 94.27 5 A 1 ATOM 37 C CB . TRP A 1 5 ? -5.464 2.385 -0.334 1.00 93.48 5 A 1 ATOM 38 C CG . TRP A 1 5 ? -6.347 2.871 -1.438 1.00 90.52 5 A 1 ATOM 39 C CD1 . TRP A 1 5 ? -7.695 3.010 -1.406 1.00 87.31 5 A 1 ATOM 40 C CD2 . TRP A 1 5 ? -5.933 3.285 -2.751 1.00 90.68 5 A 1 ATOM 41 N NE1 . TRP A 1 5 ? -8.145 3.481 -2.614 1.00 86.21 5 A 1 ATOM 42 C CE2 . TRP A 1 5 ? -7.087 3.659 -3.458 1.00 89.60 5 A 1 ATOM 43 C CE3 . TRP A 1 5 ? -4.689 3.372 -3.384 1.00 85.54 5 A 1 ATOM 44 C CZ2 . TRP A 1 5 ? -7.028 4.117 -4.776 1.00 86.30 5 A 1 ATOM 45 C CZ3 . TRP A 1 5 ? -4.636 3.829 -4.695 1.00 82.79 5 A 1 ATOM 46 C CH2 . TRP A 1 5 ? -5.797 4.196 -5.377 1.00 83.55 5 A 1 ATOM 47 N N . LEU A 1 6 ? -4.098 0.207 1.553 1.00 96.68 6 A 1 ATOM 48 C CA . LEU A 1 6 ? -3.102 -0.147 2.556 1.00 96.58 6 A 1 ATOM 49 C C . LEU A 1 6 ? -2.266 -1.332 2.086 1.00 97.08 6 A 1 ATOM 50 O O . LEU A 1 6 ? -1.051 -1.368 2.284 1.00 97.01 6 A 1 ATOM 51 C CB . LEU A 1 6 ? -3.791 -0.484 3.880 1.00 96.44 6 A 1 ATOM 52 C CG . LEU A 1 6 ? -4.415 0.709 4.602 1.00 89.98 6 A 1 ATOM 53 C CD1 . LEU A 1 6 ? -5.290 0.240 5.761 1.00 86.44 6 A 1 ATOM 54 C CD2 . LEU A 1 6 ? -3.338 1.650 5.119 1.00 87.82 6 A 1 ATOM 55 N N . LEU A 1 7 ? -2.925 -2.286 1.460 1.00 96.76 7 A 1 ATOM 56 C CA . LEU A 1 7 ? -2.246 -3.467 0.941 1.00 96.67 7 A 1 ATOM 57 C C . LEU A 1 7 ? -1.299 -3.087 -0.187 1.00 97.05 7 A 1 ATOM 58 O O . LEU A 1 7 ? -0.184 -3.603 -0.275 1.00 97.02 7 A 1 ATOM 59 C CB . LEU A 1 7 ? -3.277 -4.487 0.446 1.00 96.81 7 A 1 ATOM 60 C CG . LEU A 1 7 ? -2.706 -5.871 0.139 1.00 92.29 7 A 1 ATOM 61 C CD1 . LEU A 1 7 ? -2.230 -6.559 1.414 1.00 88.23 7 A 1 ATOM 62 C CD2 . LEU A 1 7 ? -3.744 -6.733 -0.559 1.00 89.83 7 A 1 ATOM 63 N N . LEU A 1 8 ? -1.754 -2.183 -1.040 1.00 97.08 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -0.939 -1.707 -2.150 1.00 96.81 8 A 1 ATOM 65 C C . LEU A 1 8 ? 0.239 -0.893 -1.634 1.00 97.07 8 A 1 ATOM 66 O O . LEU A 1 8 ? 1.356 -1.008 -2.141 1.00 96.94 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -1.793 -0.858 -3.093 1.00 96.52 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -1.096 -0.460 -4.389 1.00 91.31 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -0.861 -1.675 -5.273 1.00 87.32 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? -1.911 0.584 -5.133 1.00 88.81 8 A 1 ATOM 71 N N . ALA A 1 9 ? -0.014 -0.084 -0.633 1.00 97.15 9 A 1 ATOM 72 C CA . ALA A 1 9 ? 1.012 0.769 -0.049 1.00 97.15 9 A 1 ATOM 73 C C . ALA A 1 9 ? 2.117 -0.057 0.603 1.00 97.47 9 A 1 ATOM 74 O O . ALA A 1 9 ? 3.290 0.302 0.523 1.00 96.91 9 A 1 ATOM 75 C CB . ALA A 1 9 ? 0.383 1.708 0.974 1.00 96.63 9 A 1 ATOM 76 N N . THR A 1 10 ? 1.750 -1.158 1.227 1.00 97.42 10 A 1 ATOM 77 C CA . THR A 1 10 ? 2.736 -2.003 1.891 1.00 97.27 10 A 1 ATOM 78 C C . THR A 1 10 ? 3.649 -2.672 0.866 1.00 97.53 10 A 1 ATOM 79 O O . THR A 1 10 ? 4.843 -2.846 1.106 1.00 96.57 10 A 1 ATOM 80 C CB . THR A 1 10 ? 2.065 -3.047 2.807 1.00 96.53 10 A 1 ATOM 81 O OG1 . THR A 1 10 ? 3.030 -3.555 3.732 1.00 91.50 10 A 1 ATOM 82 C CG2 . THR A 1 10 ? 1.476 -4.201 2.039 1.00 90.15 10 A 1 ATOM 83 N N . CYS A 1 11 ? 3.092 -3.011 -0.292 1.00 97.73 11 A 1 ATOM 84 C CA . CYS A 1 11 ? 3.874 -3.603 -1.365 1.00 97.76 11 A 1 ATOM 85 C C . CYS A 1 11 ? 4.898 -2.606 -1.892 1.00 97.88 11 A 1 ATOM 86 O O . CYS A 1 11 ? 6.045 -2.956 -2.155 1.00 97.23 11 A 1 ATOM 87 C CB . CYS A 1 11 ? 2.957 -4.061 -2.498 1.00 97.41 11 A 1 ATOM 88 S SG . CYS A 1 11 ? 1.921 -5.454 -2.033 1.00 92.44 11 A 1 ATOM 89 N N . ILE A 1 12 ? 4.460 -1.365 -2.043 1.00 97.34 12 A 1 ATOM 90 C CA . ILE A 1 12 ? 5.332 -0.296 -2.510 1.00 97.28 12 A 1 ATOM 91 C C . ILE A 1 12 ? 6.429 -0.026 -1.487 1.00 97.47 12 A 1 ATOM 92 O O . ILE A 1 12 ? 7.580 0.222 -1.843 1.00 96.82 12 A 1 ATOM 93 C CB . ILE A 1 12 ? 4.526 0.985 -2.781 1.00 96.88 12 A 1 ATOM 94 C CG1 . ILE A 1 12 ? 3.525 0.753 -3.917 1.00 94.42 12 A 1 ATOM 95 C CG2 . ILE A 1 12 ? 5.464 2.141 -3.134 1.00 93.80 12 A 1 ATOM 96 C CD1 . ILE A 1 12 ? 2.490 1.844 -4.040 1.00 88.98 12 A 1 ATOM 97 N N . HIS A 1 13 ? 6.066 -0.086 -0.219 1.00 97.60 13 A 1 ATOM 98 C CA . HIS A 1 13 ? 7.015 0.147 0.868 1.00 97.39 13 A 1 ATOM 99 C C . HIS A 1 13 ? 8.137 -0.890 0.850 1.00 97.74 13 A 1 ATOM 100 O O . HIS A 1 13 ? 9.299 -0.562 1.089 1.00 97.04 13 A 1 ATOM 101 C CB . HIS A 1 13 ? 6.293 0.109 2.213 1.00 96.73 13 A 1 ATOM 102 C CG . HIS A 1 13 ? 7.196 0.376 3.381 1.00 93.70 13 A 1 ATOM 103 N ND1 . HIS A 1 13 ? 7.745 -0.623 4.152 1.00 85.04 13 A 1 ATOM 104 C CD2 . HIS A 1 13 ? 7.655 1.536 3.901 1.00 88.76 13 A 1 ATOM 105 C CE1 . HIS A 1 13 ? 8.500 -0.069 5.093 1.00 87.67 13 A 1 ATOM 106 N NE2 . HIS A 1 13 ? 8.465 1.236 4.970 1.00 90.03 13 A 1 ATOM 107 N N . VAL A 1 14 ? 7.786 -2.136 0.565 1.00 96.92 14 A 1 ATOM 108 C CA . VAL A 1 14 ? 8.776 -3.208 0.497 1.00 96.76 14 A 1 ATOM 109 C C . VAL A 1 14 ? 9.665 -3.051 -0.731 1.00 97.06 14 A 1 ATOM 110 O O . VAL A 1 14 ? 10.875 -3.287 -0.672 1.00 95.71 14 A 1 ATOM 111 C CB . VAL A 1 14 ? 8.094 -4.584 0.477 1.00 95.51 14 A 1 ATOM 112 C CG1 . VAL A 1 14 ? 9.115 -5.697 0.293 1.00 90.81 14 A 1 ATOM 113 C CG2 . VAL A 1 14 ? 7.315 -4.804 1.761 1.00 90.94 14 A 1 ATOM 114 N N . PHE A 1 15 ? 9.055 -2.655 -1.838 1.00 95.42 15 A 1 ATOM 115 C CA . PHE A 1 15 ? 9.780 -2.464 -3.088 1.00 95.03 15 A 1 ATOM 116 C C . PHE A 1 15 ? 10.679 -1.235 -3.037 1.00 95.69 15 A 1 ATOM 117 O O . PHE A 1 15 ? 11.819 -1.272 -3.509 1.00 94.49 15 A 1 ATOM 118 C CB . PHE A 1 15 ? 8.788 -2.339 -4.247 1.00 93.69 15 A 1 ATOM 119 C CG . PHE A 1 15 ? 9.462 -2.134 -5.572 1.00 90.09 15 A 1 ATOM 120 C CD1 . PHE A 1 15 ? 10.105 -3.183 -6.205 1.00 86.77 15 A 1 ATOM 121 C CD2 . PHE A 1 15 ? 9.461 -0.888 -6.173 1.00 86.72 15 A 1 ATOM 122 C CE1 . PHE A 1 15 ? 10.735 -2.992 -7.422 1.00 85.88 15 A 1 ATOM 123 C CE2 . PHE A 1 15 ? 10.096 -0.694 -7.395 1.00 85.77 15 A 1 ATOM 124 C CZ . PHE A 1 15 ? 10.731 -1.749 -8.015 1.00 85.53 15 A 1 ATOM 125 N N . ALA A 1 16 ? 10.153 -0.162 -2.475 1.00 94.72 16 A 1 ATOM 126 C CA . ALA A 1 16 ? 10.881 1.093 -2.398 1.00 93.56 16 A 1 ATOM 127 C C . ALA A 1 16 ? 11.822 1.130 -1.192 1.00 91.62 16 A 1 ATOM 128 O O . ALA A 1 16 ? 11.690 0.281 -0.283 1.00 88.42 16 A 1 ATOM 129 C CB . ALA A 1 16 ? 9.904 2.268 -2.353 1.00 90.54 16 A 1 ATOM 130 O OXT . ALA A 1 16 ? 12.689 2.017 -1.127 1.00 81.01 16 A 1 #