# 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_spkb39607 # _entry.id spkb39607 # 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 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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([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 ILE 2 1 n MET 3 1 n TYR 4 1 n ILE 5 1 n ILE 6 1 n TRP 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n PHE 11 1 n ILE 12 1 n PRO 13 1 n VAL 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 @ 2025-07-10 14:08:16)" _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 93.43 _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 86.84 1 1 A ILE 2 2 91.82 1 2 A MET 3 2 92.39 1 3 A TYR 4 2 93.96 1 4 A ILE 5 2 96.20 1 5 A ILE 6 2 96.11 1 6 A TRP 7 2 93.37 1 7 A ALA 8 2 97.37 1 8 A LEU 9 2 95.99 1 9 A LEU 10 2 95.96 1 10 A PHE 11 2 93.69 1 11 A ILE 12 2 94.32 1 12 A PRO 13 2 95.65 1 13 A VAL 14 2 92.66 1 14 A SER 15 2 89.73 1 15 A ALA 16 2 87.75 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 ILE . 2 A 2 A 3 1 n MET . 3 A 3 A 4 1 n TYR . 4 A 4 A 5 1 n ILE . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n PRO . 13 A 13 A 14 1 n VAL . 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 ? -13.097 -2.775 1.755 1.00 92.71 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.034 -2.081 2.492 1.00 92.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.662 -2.658 2.163 1.00 93.16 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.637 -2.041 2.429 1.00 91.82 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.288 -2.162 3.998 1.00 88.84 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.305 -1.341 4.806 1.00 82.44 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.665 -1.338 6.564 1.00 80.01 1 A 1 ATOM 8 C CE . MET A 1 1 ? -13.109 -0.296 6.596 1.00 72.79 1 A 1 ATOM 9 N N . ILE A 1 2 ? -10.662 -3.835 1.591 1.00 93.24 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -9.407 -4.483 1.236 1.00 95.33 2 A 1 ATOM 11 C C . ILE A 1 2 ? -8.572 -3.598 0.319 1.00 96.57 2 A 1 ATOM 12 O O . ILE A 1 2 ? -7.342 -3.607 0.377 1.00 96.16 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -9.653 -5.842 0.565 1.00 94.07 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -8.329 -6.585 0.409 1.00 88.86 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -10.328 -5.653 -0.783 1.00 87.78 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -8.489 -8.014 -0.006 1.00 82.59 2 A 1 ATOM 17 N N . MET A 1 3 ? -9.243 -2.843 -0.505 1.00 97.32 3 A 1 ATOM 18 C CA . MET A 1 3 ? -8.565 -1.932 -1.419 1.00 97.24 3 A 1 ATOM 19 C C . MET A 1 3 ? -7.761 -0.902 -0.638 1.00 97.63 3 A 1 ATOM 20 O O . MET A 1 3 ? -6.675 -0.504 -1.048 1.00 97.03 3 A 1 ATOM 21 C CB . MET A 1 3 ? -9.577 -1.231 -2.319 1.00 96.04 3 A 1 ATOM 22 C CG . MET A 1 3 ? -10.277 -2.187 -3.262 1.00 91.09 3 A 1 ATOM 23 S SD . MET A 1 3 ? -9.186 -2.854 -4.513 1.00 86.04 3 A 1 ATOM 24 C CE . MET A 1 3 ? -9.010 -1.438 -5.578 1.00 76.75 3 A 1 ATOM 25 N N . TYR A 1 4 ? -8.300 -0.487 0.495 1.00 97.33 4 A 1 ATOM 26 C CA . TYR A 1 4 ? -7.637 0.491 1.346 1.00 97.69 4 A 1 ATOM 27 C C . TYR A 1 4 ? -6.352 -0.099 1.913 1.00 97.98 4 A 1 ATOM 28 O O . TYR A 1 4 ? -5.331 0.583 2.009 1.00 97.69 4 A 1 ATOM 29 C CB . TYR A 1 4 ? -8.555 0.910 2.495 1.00 97.25 4 A 1 ATOM 30 C CG . TYR A 1 4 ? -9.697 1.805 2.055 1.00 94.04 4 A 1 ATOM 31 C CD1 . TYR A 1 4 ? -10.508 1.461 0.986 1.00 91.48 4 A 1 ATOM 32 C CD2 . TYR A 1 4 ? -9.956 2.998 2.723 1.00 91.28 4 A 1 ATOM 33 C CE1 . TYR A 1 4 ? -11.548 2.283 0.575 1.00 90.98 4 A 1 ATOM 34 C CE2 . TYR A 1 4 ? -10.997 3.823 2.326 1.00 90.78 4 A 1 ATOM 35 C CZ . TYR A 1 4 ? -11.788 3.459 1.252 1.00 90.90 4 A 1 ATOM 36 O OH . TYR A 1 4 ? -12.824 4.273 0.853 1.00 90.08 4 A 1 ATOM 37 N N . ILE A 1 5 ? -6.407 -1.380 2.290 1.00 97.41 5 A 1 ATOM 38 C CA . ILE A 1 5 ? -5.256 -2.068 2.854 1.00 97.48 5 A 1 ATOM 39 C C . ILE A 1 5 ? -4.177 -2.243 1.792 1.00 97.74 5 A 1 ATOM 40 O O . ILE A 1 5 ? -2.988 -2.084 2.067 1.00 97.55 5 A 1 ATOM 41 C CB . ILE A 1 5 ? -5.653 -3.443 3.421 1.00 97.27 5 A 1 ATOM 42 C CG1 . ILE A 1 5 ? -6.682 -3.276 4.539 1.00 95.73 5 A 1 ATOM 43 C CG2 . ILE A 1 5 ? -4.420 -4.170 3.947 1.00 95.38 5 A 1 ATOM 44 C CD1 . ILE A 1 5 ? -7.267 -4.588 5.014 1.00 91.01 5 A 1 ATOM 45 N N . ILE A 1 6 ? -4.593 -2.572 0.604 1.00 97.65 6 A 1 ATOM 46 C CA . ILE A 1 6 ? -3.667 -2.753 -0.506 1.00 97.53 6 A 1 ATOM 47 C C . ILE A 1 6 ? -2.908 -1.459 -0.783 1.00 97.65 6 A 1 ATOM 48 O O . ILE A 1 6 ? -1.700 -1.471 -1.015 1.00 97.59 6 A 1 ATOM 49 C CB . ILE A 1 6 ? -4.415 -3.197 -1.774 1.00 97.37 6 A 1 ATOM 50 C CG1 . ILE A 1 6 ? -5.051 -4.569 -1.560 1.00 95.71 6 A 1 ATOM 51 C CG2 . ILE A 1 6 ? -3.457 -3.239 -2.956 1.00 95.21 6 A 1 ATOM 52 C CD1 . ILE A 1 6 ? -5.963 -4.985 -2.693 1.00 90.19 6 A 1 ATOM 53 N N . TRP A 1 7 ? -3.619 -0.357 -0.759 1.00 96.97 7 A 1 ATOM 54 C CA . TRP A 1 7 ? -3.005 0.944 -0.984 1.00 96.81 7 A 1 ATOM 55 C C . TRP A 1 7 ? -1.996 1.252 0.112 1.00 97.14 7 A 1 ATOM 56 O O . TRP A 1 7 ? -0.900 1.739 -0.157 1.00 97.09 7 A 1 ATOM 57 C CB . TRP A 1 7 ? -4.080 2.037 -1.035 1.00 96.53 7 A 1 ATOM 58 C CG . TRP A 1 7 ? -4.971 1.923 -2.234 1.00 95.15 7 A 1 ATOM 59 C CD1 . TRP A 1 7 ? -6.320 1.756 -2.230 1.00 91.83 7 A 1 ATOM 60 C CD2 . TRP A 1 7 ? -4.582 1.962 -3.607 1.00 93.45 7 A 1 ATOM 61 N NE1 . TRP A 1 7 ? -6.790 1.680 -3.518 1.00 91.12 7 A 1 ATOM 62 C CE2 . TRP A 1 7 ? -5.745 1.800 -4.397 1.00 92.98 7 A 1 ATOM 63 C CE3 . TRP A 1 7 ? -3.351 2.111 -4.265 1.00 90.63 7 A 1 ATOM 64 C CZ2 . TRP A 1 7 ? -5.708 1.788 -5.787 1.00 91.59 7 A 1 ATOM 65 C CZ3 . TRP A 1 7 ? -3.320 2.097 -5.644 1.00 87.71 7 A 1 ATOM 66 C CH2 . TRP A 1 7 ? -4.493 1.938 -6.399 1.00 88.13 7 A 1 ATOM 67 N N . ALA A 1 8 ? -2.380 0.945 1.354 1.00 97.37 8 A 1 ATOM 68 C CA . ALA A 1 8 ? -1.510 1.182 2.498 1.00 97.36 8 A 1 ATOM 69 C C . ALA A 1 8 ? -0.234 0.357 2.378 1.00 97.66 8 A 1 ATOM 70 O O . ALA A 1 8 ? 0.864 0.857 2.614 1.00 97.35 8 A 1 ATOM 71 C CB . ALA A 1 8 ? -2.236 0.830 3.790 1.00 97.12 8 A 1 ATOM 72 N N . LEU A 1 9 ? -0.378 -0.902 2.005 1.00 97.48 9 A 1 ATOM 73 C CA . LEU A 1 9 ? 0.761 -1.798 1.860 1.00 97.41 9 A 1 ATOM 74 C C . LEU A 1 9 ? 1.596 -1.412 0.649 1.00 97.64 9 A 1 ATOM 75 O O . LEU A 1 9 ? 2.765 -1.777 0.555 1.00 97.25 9 A 1 ATOM 76 C CB . LEU A 1 9 ? 0.277 -3.242 1.709 1.00 97.23 9 A 1 ATOM 77 C CG . LEU A 1 9 ? -0.413 -3.818 2.940 1.00 95.28 9 A 1 ATOM 78 C CD1 . LEU A 1 9 ? -0.980 -5.195 2.629 1.00 92.70 9 A 1 ATOM 79 C CD2 . LEU A 1 9 ? 0.558 -3.895 4.105 1.00 92.93 9 A 1 ATOM 80 N N . LEU A 1 10 ? 1.000 -0.695 -0.258 1.00 97.68 10 A 1 ATOM 81 C CA . LEU A 1 10 ? 1.688 -0.247 -1.456 1.00 97.52 10 A 1 ATOM 82 C C . LEU A 1 10 ? 2.558 0.969 -1.165 1.00 97.67 10 A 1 ATOM 83 O O . LEU A 1 10 ? 3.631 1.123 -1.744 1.00 97.20 10 A 1 ATOM 84 C CB . LEU A 1 10 ? 0.669 0.098 -2.540 1.00 97.20 10 A 1 ATOM 85 C CG . LEU A 1 10 ? 1.286 0.502 -3.873 1.00 95.15 10 A 1 ATOM 86 C CD1 . LEU A 1 10 ? 1.953 -0.690 -4.530 1.00 92.65 10 A 1 ATOM 87 C CD2 . LEU A 1 10 ? 0.230 1.089 -4.783 1.00 92.63 10 A 1 ATOM 88 N N . PHE A 1 11 ? 2.087 1.823 -0.270 1.00 97.33 11 A 1 ATOM 89 C CA . PHE A 1 11 ? 2.816 3.032 0.084 1.00 97.10 11 A 1 ATOM 90 C C . PHE A 1 11 ? 3.957 2.743 1.051 1.00 97.33 11 A 1 ATOM 91 O O . PHE A 1 11 ? 5.021 3.355 0.967 1.00 96.51 11 A 1 ATOM 92 C CB . PHE A 1 11 ? 1.867 4.054 0.716 1.00 96.24 11 A 1 ATOM 93 C CG . PHE A 1 11 ? 0.773 4.494 -0.225 1.00 94.27 11 A 1 ATOM 94 C CD1 . PHE A 1 11 ? 1.086 5.049 -1.448 1.00 91.20 11 A 1 ATOM 95 C CD2 . PHE A 1 11 ? -0.558 4.344 0.123 1.00 91.01 11 A 1 ATOM 96 C CE1 . PHE A 1 11 ? 0.089 5.456 -2.317 1.00 90.03 11 A 1 ATOM 97 C CE2 . PHE A 1 11 ? -1.558 4.748 -0.743 1.00 90.07 11 A 1 ATOM 98 C CZ . PHE A 1 11 ? -1.232 5.305 -1.963 1.00 89.55 11 A 1 ATOM 99 N N . ILE A 1 12 ? 3.739 1.810 1.982 1.00 96.92 12 A 1 ATOM 100 C CA . ILE A 1 12 ? 4.750 1.461 2.976 1.00 96.53 12 A 1 ATOM 101 C C . ILE A 1 12 ? 6.044 0.963 2.330 1.00 96.51 12 A 1 ATOM 102 O O . ILE A 1 12 ? 7.116 1.514 2.587 1.00 95.44 12 A 1 ATOM 103 C CB . ILE A 1 12 ? 4.212 0.406 3.960 1.00 95.53 12 A 1 ATOM 104 C CG1 . ILE A 1 12 ? 3.095 0.999 4.813 1.00 92.46 12 A 1 ATOM 105 C CG2 . ILE A 1 12 ? 5.342 -0.096 4.849 1.00 92.10 12 A 1 ATOM 106 C CD1 . ILE A 1 12 ? 2.347 -0.039 5.622 1.00 89.04 12 A 1 ATOM 107 N N . PRO A 1 13 ? 5.970 -0.087 1.508 1.00 97.00 13 A 1 ATOM 108 C CA . PRO A 1 13 ? 7.164 -0.635 0.859 1.00 96.45 13 A 1 ATOM 109 C C . PRO A 1 13 ? 7.821 0.358 -0.086 1.00 96.38 13 A 1 ATOM 110 O O . PRO A 1 13 ? 9.039 0.348 -0.255 1.00 94.56 13 A 1 ATOM 111 C CB . PRO A 1 13 ? 6.633 -1.850 0.095 1.00 95.06 13 A 1 ATOM 112 C CG . PRO A 1 13 ? 5.197 -1.549 -0.126 1.00 93.87 13 A 1 ATOM 113 C CD . PRO A 1 13 ? 4.760 -0.800 1.100 1.00 96.22 13 A 1 ATOM 114 N N . VAL A 1 14 ? 7.033 1.206 -0.693 1.00 96.17 14 A 1 ATOM 115 C CA . VAL A 1 14 ? 7.549 2.214 -1.608 1.00 95.05 14 A 1 ATOM 116 C C . VAL A 1 14 ? 8.406 3.230 -0.863 1.00 94.88 14 A 1 ATOM 117 O O . VAL A 1 14 ? 9.410 3.717 -1.393 1.00 92.37 14 A 1 ATOM 118 C CB . VAL A 1 14 ? 6.401 2.941 -2.326 1.00 93.34 14 A 1 ATOM 119 C CG1 . VAL A 1 14 ? 6.941 4.105 -3.138 1.00 88.53 14 A 1 ATOM 120 C CG2 . VAL A 1 14 ? 5.657 1.980 -3.229 1.00 88.30 14 A 1 ATOM 121 N N . SER A 1 15 ? 8.002 3.551 0.355 1.00 93.70 15 A 1 ATOM 122 C CA . SER A 1 15 ? 8.729 4.509 1.178 1.00 92.90 15 A 1 ATOM 123 C C . SER A 1 15 ? 9.868 3.842 1.938 1.00 92.18 15 A 1 ATOM 124 O O . SER A 1 15 ? 10.762 4.516 2.448 1.00 88.01 15 A 1 ATOM 125 C CB . SER A 1 15 ? 7.780 5.180 2.176 1.00 90.44 15 A 1 ATOM 126 O OG . SER A 1 15 ? 7.271 4.241 3.089 1.00 81.16 15 A 1 ATOM 127 N N . ALA A 1 16 ? 9.832 2.510 2.020 1.00 94.19 16 A 1 ATOM 128 C CA . ALA A 1 16 ? 10.838 1.752 2.750 1.00 91.90 16 A 1 ATOM 129 C C . ALA A 1 16 ? 11.923 1.238 1.812 1.00 89.13 16 A 1 ATOM 130 O O . ALA A 1 16 ? 11.576 0.708 0.743 1.00 83.72 16 A 1 ATOM 131 C CB . ALA A 1 16 ? 10.198 0.596 3.500 1.00 88.30 16 A 1 ATOM 132 O OXT . ALA A 1 16 ? 13.107 1.355 2.145 1.00 79.25 16 A 1 #