# 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_spkb13227 # _entry.id spkb13227 # 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" "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" "C5 H11 N O2 S" 149.211 MET y METHIONINE CSCC[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" "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" # _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 CYS 2 1 n CYS 3 1 n TRP 4 1 n PRO 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n TRP 10 1 n GLY 11 1 n LEU 12 1 n LEU 13 1 n PRO 14 1 n GLY 15 1 n THR 16 1 n ALA 17 1 n ALA 18 1 n GLY 19 # _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 04:23:52)" _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 84.87 _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 76.89 1 1 A CYS 2 2 81.25 1 2 A CYS 3 2 84.85 1 3 A TRP 4 2 84.54 1 4 A PRO 5 2 89.83 1 5 A LEU 6 2 85.79 1 6 A LEU 7 2 86.20 1 7 A LEU 8 2 87.47 1 8 A LEU 9 2 88.70 1 9 A TRP 10 2 86.36 1 10 A GLY 11 2 90.70 1 11 A LEU 12 2 88.67 1 12 A LEU 13 2 87.02 1 13 A PRO 14 2 87.91 1 14 A GLY 15 2 85.43 1 15 A THR 16 2 81.23 1 16 A ALA 17 2 81.81 1 17 A ALA 18 2 79.40 1 18 A GLY 19 2 72.62 1 19 # _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 CYS . 2 A 2 A 3 1 n CYS . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n PRO . 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 LEU . 9 A 9 A 10 1 n TRP . 10 A 10 A 11 1 n GLY . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n PRO . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n THR . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n GLY . 19 A 19 # _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 ? -16.726 4.556 5.091 1.00 82.81 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.302 4.188 5.262 1.00 83.59 1 A 1 ATOM 3 C C . MET A 1 1 ? -15.082 2.721 4.908 1.00 83.39 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.889 1.876 5.250 1.00 78.01 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.895 4.426 6.712 1.00 80.03 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.842 5.920 7.005 1.00 74.69 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.101 6.248 8.753 1.00 70.33 1 A 1 ATOM 8 C CE . MET A 1 1 ? -15.558 7.978 8.670 1.00 62.26 1 A 1 ATOM 9 N N . CYS A 1 2 ? -14.006 2.451 4.251 1.00 84.23 2 A 1 ATOM 10 C CA . CYS A 1 2 ? -13.717 1.073 3.835 1.00 85.06 2 A 1 ATOM 11 C C . CYS A 1 2 ? -12.833 0.356 4.862 1.00 86.78 2 A 1 ATOM 12 O O . CYS A 1 2 ? -13.263 0.074 5.968 1.00 81.28 2 A 1 ATOM 13 C CB . CYS A 1 2 ? -13.009 1.114 2.479 1.00 79.59 2 A 1 ATOM 14 S SG . CYS A 1 2 ? -12.641 -0.557 1.878 1.00 70.54 2 A 1 ATOM 15 N N . CYS A 1 3 ? -11.613 0.075 4.480 1.00 86.11 3 A 1 ATOM 16 C CA . CYS A 1 3 ? -10.689 -0.649 5.371 1.00 87.47 3 A 1 ATOM 17 C C . CYS A 1 3 ? -9.403 0.152 5.608 1.00 89.08 3 A 1 ATOM 18 O O . CYS A 1 3 ? -9.337 1.336 5.307 1.00 85.55 3 A 1 ATOM 19 C CB . CYS A 1 3 ? -10.351 -1.983 4.712 1.00 83.72 3 A 1 ATOM 20 S SG . CYS A 1 3 ? -10.351 -1.861 2.910 1.00 77.15 3 A 1 ATOM 21 N N . TRP A 1 4 ? -8.392 -0.503 6.151 1.00 87.48 4 A 1 ATOM 22 C CA . TRP A 1 4 ? -7.118 0.158 6.471 1.00 88.67 4 A 1 ATOM 23 C C . TRP A 1 4 ? -5.908 -0.643 5.973 1.00 90.53 4 A 1 ATOM 24 O O . TRP A 1 4 ? -4.898 -0.069 5.600 1.00 90.21 4 A 1 ATOM 25 C CB . TRP A 1 4 ? -7.035 0.316 7.995 1.00 87.30 4 A 1 ATOM 26 C CG . TRP A 1 4 ? -6.907 1.751 8.393 1.00 84.96 4 A 1 ATOM 27 C CD1 . TRP A 1 4 ? -7.622 2.387 9.350 1.00 82.39 4 A 1 ATOM 28 C CD2 . TRP A 1 4 ? -5.989 2.731 7.868 1.00 84.65 4 A 1 ATOM 29 N NE1 . TRP A 1 4 ? -7.208 3.690 9.458 1.00 81.88 4 A 1 ATOM 30 C CE2 . TRP A 1 4 ? -6.208 3.937 8.557 1.00 84.15 4 A 1 ATOM 31 C CE3 . TRP A 1 4 ? -5.001 2.707 6.880 1.00 82.22 4 A 1 ATOM 32 C CZ2 . TRP A 1 4 ? -5.462 5.093 8.281 1.00 80.98 4 A 1 ATOM 33 C CZ3 . TRP A 1 4 ? -4.263 3.862 6.605 1.00 79.21 4 A 1 ATOM 34 C CH2 . TRP A 1 4 ? -4.493 5.032 7.299 1.00 78.99 4 A 1 ATOM 35 N N . PRO A 1 5 ? -5.986 -1.960 5.990 1.00 91.04 5 A 1 ATOM 36 C CA . PRO A 1 5 ? -4.875 -2.813 5.543 1.00 90.90 5 A 1 ATOM 37 C C . PRO A 1 5 ? -4.472 -2.555 4.098 1.00 91.59 5 A 1 ATOM 38 O O . PRO A 1 5 ? -3.308 -2.713 3.739 1.00 89.22 5 A 1 ATOM 39 C CB . PRO A 1 5 ? -5.432 -4.234 5.720 1.00 88.91 5 A 1 ATOM 40 C CG . PRO A 1 5 ? -6.915 -4.069 5.663 1.00 86.96 5 A 1 ATOM 41 C CD . PRO A 1 5 ? -7.182 -2.745 6.327 1.00 90.16 5 A 1 ATOM 42 N N . LEU A 1 6 ? -5.412 -2.175 3.287 1.00 89.18 6 A 1 ATOM 43 C CA . LEU A 1 6 ? -5.134 -1.914 1.871 1.00 88.81 6 A 1 ATOM 44 C C . LEU A 1 6 ? -4.192 -0.717 1.724 1.00 90.07 6 A 1 ATOM 45 O O . LEU A 1 6 ? -3.179 -0.782 1.043 1.00 88.80 6 A 1 ATOM 46 C CB . LEU A 1 6 ? -6.460 -1.639 1.150 1.00 87.90 6 A 1 ATOM 47 C CG . LEU A 1 6 ? -6.580 -2.405 -0.162 1.00 81.69 6 A 1 ATOM 48 C CD1 . LEU A 1 6 ? -5.408 -2.066 -1.077 1.00 80.42 6 A 1 ATOM 49 C CD2 . LEU A 1 6 ? -6.604 -3.902 0.133 1.00 79.48 6 A 1 ATOM 50 N N . LEU A 1 7 ? -4.536 0.376 2.373 1.00 89.70 7 A 1 ATOM 51 C CA . LEU A 1 7 ? -3.712 1.591 2.306 1.00 89.37 7 A 1 ATOM 52 C C . LEU A 1 7 ? -2.363 1.374 2.995 1.00 90.75 7 A 1 ATOM 53 O O . LEU A 1 7 ? -1.331 1.829 2.517 1.00 89.84 7 A 1 ATOM 54 C CB . LEU A 1 7 ? -4.461 2.735 2.994 1.00 88.53 7 A 1 ATOM 55 C CG . LEU A 1 7 ? -4.246 4.064 2.279 1.00 81.91 7 A 1 ATOM 56 C CD1 . LEU A 1 7 ? -5.125 4.136 1.033 1.00 80.12 7 A 1 ATOM 57 C CD2 . LEU A 1 7 ? -4.594 5.210 3.226 1.00 79.38 7 A 1 ATOM 58 N N . LEU A 1 8 ? -2.386 0.689 4.109 1.00 89.81 8 A 1 ATOM 59 C CA . LEU A 1 8 ? -1.153 0.406 4.863 1.00 89.53 8 A 1 ATOM 60 C C . LEU A 1 8 ? -0.173 -0.397 4.013 1.00 90.94 8 A 1 ATOM 61 O O . LEU A 1 8 ? 0.993 -0.037 3.886 1.00 90.07 8 A 1 ATOM 62 C CB . LEU A 1 8 ? -1.524 -0.387 6.119 1.00 88.79 8 A 1 ATOM 63 C CG . LEU A 1 8 ? -0.311 -1.030 6.783 1.00 84.85 8 A 1 ATOM 64 C CD1 . LEU A 1 8 ? 0.546 0.037 7.459 1.00 83.04 8 A 1 ATOM 65 C CD2 . LEU A 1 8 ? -0.788 -2.038 7.826 1.00 82.73 8 A 1 ATOM 66 N N . LEU A 1 9 ? -0.639 -1.478 3.439 1.00 90.21 9 A 1 ATOM 67 C CA . LEU A 1 9 ? 0.212 -2.340 2.608 1.00 90.40 9 A 1 ATOM 68 C C . LEU A 1 9 ? 0.599 -1.628 1.314 1.00 91.82 9 A 1 ATOM 69 O O . LEU A 1 9 ? 1.694 -1.801 0.800 1.00 91.64 9 A 1 ATOM 70 C CB . LEU A 1 9 ? -0.553 -3.635 2.290 1.00 90.18 9 A 1 ATOM 71 C CG . LEU A 1 9 ? -0.171 -4.780 3.225 1.00 86.13 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? 1.299 -5.134 3.024 1.00 84.79 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? -0.412 -4.383 4.673 1.00 84.42 9 A 1 ATOM 74 N N . TRP A 1 10 ? -0.302 -0.828 0.798 1.00 90.13 10 A 1 ATOM 75 C CA . TRP A 1 10 ? -0.037 -0.108 -0.450 1.00 89.91 10 A 1 ATOM 76 C C . TRP A 1 10 ? 1.081 0.920 -0.258 1.00 91.25 10 A 1 ATOM 77 O O . TRP A 1 10 ? 1.855 1.181 -1.169 1.00 90.57 10 A 1 ATOM 78 C CB . TRP A 1 10 ? -1.316 0.602 -0.886 1.00 89.38 10 A 1 ATOM 79 C CG . TRP A 1 10 ? -1.326 0.820 -2.353 1.00 87.62 10 A 1 ATOM 80 C CD1 . TRP A 1 10 ? -1.543 -0.122 -3.304 1.00 84.28 10 A 1 ATOM 81 C CD2 . TRP A 1 10 ? -1.102 2.067 -3.044 1.00 86.24 10 A 1 ATOM 82 N NE1 . TRP A 1 10 ? -1.464 0.459 -4.546 1.00 83.82 10 A 1 ATOM 83 C CE2 . TRP A 1 10 ? -1.200 1.800 -4.423 1.00 85.45 10 A 1 ATOM 84 C CE3 . TRP A 1 10 ? -0.831 3.371 -2.628 1.00 84.66 10 A 1 ATOM 85 C CZ2 . TRP A 1 10 ? -1.032 2.808 -5.374 1.00 83.22 10 A 1 ATOM 86 C CZ3 . TRP A 1 10 ? -0.665 4.375 -3.575 1.00 81.19 10 A 1 ATOM 87 C CH2 . TRP A 1 10 ? -0.764 4.091 -4.941 1.00 81.29 10 A 1 ATOM 88 N N . GLY A 1 11 ? 1.172 1.482 0.917 1.00 90.76 11 A 1 ATOM 89 C CA . GLY A 1 11 ? 2.214 2.475 1.199 1.00 90.46 11 A 1 ATOM 90 C C . GLY A 1 11 ? 3.507 1.830 1.668 1.00 91.70 11 A 1 ATOM 91 O O . GLY A 1 11 ? 4.585 2.400 1.525 1.00 89.86 11 A 1 ATOM 92 N N . LEU A 1 12 ? 3.411 0.649 2.234 1.00 91.89 12 A 1 ATOM 93 C CA . LEU A 1 12 ? 4.592 -0.073 2.734 1.00 91.41 12 A 1 ATOM 94 C C . LEU A 1 12 ? 5.210 -0.947 1.647 1.00 92.24 12 A 1 ATOM 95 O O . LEU A 1 12 ? 6.429 -1.043 1.540 1.00 89.80 12 A 1 ATOM 96 C CB . LEU A 1 12 ? 4.174 -0.936 3.927 1.00 90.12 12 A 1 ATOM 97 C CG . LEU A 1 12 ? 5.147 -0.801 5.090 1.00 87.28 12 A 1 ATOM 98 C CD1 . LEU A 1 12 ? 4.381 -0.753 6.407 1.00 84.39 12 A 1 ATOM 99 C CD2 . LEU A 1 12 ? 6.120 -1.966 5.086 1.00 82.24 12 A 1 ATOM 100 N N . LEU A 1 13 ? 4.373 -1.574 0.845 1.00 90.36 13 A 1 ATOM 101 C CA . LEU A 1 13 ? 4.848 -2.447 -0.234 1.00 89.84 13 A 1 ATOM 102 C C . LEU A 1 13 ? 5.853 -1.717 -1.127 1.00 90.57 13 A 1 ATOM 103 O O . LEU A 1 13 ? 7.008 -2.120 -1.228 1.00 88.99 13 A 1 ATOM 104 C CB . LEU A 1 13 ? 3.641 -2.922 -1.055 1.00 88.68 13 A 1 ATOM 105 C CG . LEU A 1 13 ? 3.622 -4.436 -1.229 1.00 85.04 13 A 1 ATOM 106 C CD1 . LEU A 1 13 ? 4.875 -4.900 -1.946 1.00 82.03 13 A 1 ATOM 107 C CD2 . LEU A 1 13 ? 3.511 -5.093 0.137 1.00 80.62 13 A 1 ATOM 108 N N . PRO A 1 14 ? 5.441 -0.639 -1.772 1.00 91.06 14 A 1 ATOM 109 C CA . PRO A 1 14 ? 6.332 0.120 -2.658 1.00 89.45 14 A 1 ATOM 110 C C . PRO A 1 14 ? 7.407 0.874 -1.891 1.00 89.89 14 A 1 ATOM 111 O O . PRO A 1 14 ? 8.444 1.220 -2.446 1.00 84.98 14 A 1 ATOM 112 C CB . PRO A 1 14 ? 5.374 1.090 -3.357 1.00 86.68 14 A 1 ATOM 113 C CG . PRO A 1 14 ? 4.269 1.278 -2.367 1.00 84.71 14 A 1 ATOM 114 C CD . PRO A 1 14 ? 4.098 -0.072 -1.701 1.00 88.59 14 A 1 ATOM 115 N N . GLY A 1 15 ? 7.171 1.123 -0.633 1.00 86.34 15 A 1 ATOM 116 C CA . GLY A 1 15 ? 8.141 1.841 0.189 1.00 84.88 15 A 1 ATOM 117 C C . GLY A 1 15 ? 9.337 0.979 0.542 1.00 86.59 15 A 1 ATOM 118 O O . GLY A 1 15 ? 10.478 1.426 0.496 1.00 83.90 15 A 1 ATOM 119 N N . THR A 1 16 ? 9.085 -0.253 0.893 1.00 85.59 16 A 1 ATOM 120 C CA . THR A 1 16 ? 10.166 -1.189 1.256 1.00 85.67 16 A 1 ATOM 121 C C . THR A 1 16 ? 10.645 -1.979 0.044 1.00 85.81 16 A 1 ATOM 122 O O . THR A 1 16 ? 11.838 -2.178 -0.139 1.00 82.27 16 A 1 ATOM 123 C CB . THR A 1 16 ? 9.655 -2.175 2.305 1.00 82.57 16 A 1 ATOM 124 O OG1 . THR A 1 16 ? 9.183 -1.448 3.422 1.00 74.07 16 A 1 ATOM 125 C CG2 . THR A 1 16 ? 10.782 -3.086 2.758 1.00 72.64 16 A 1 ATOM 126 N N . ALA A 1 17 ? 9.734 -2.423 -0.769 1.00 84.15 17 A 1 ATOM 127 C CA . ALA A 1 17 ? 10.078 -3.195 -1.969 1.00 82.16 17 A 1 ATOM 128 C C . ALA A 1 17 ? 10.655 -2.291 -3.052 1.00 83.51 17 A 1 ATOM 129 O O . ALA A 1 17 ? 11.111 -2.767 -4.080 1.00 79.55 17 A 1 ATOM 130 C CB . ALA A 1 17 ? 8.830 -3.897 -2.489 1.00 79.69 17 A 1 ATOM 131 N N . ALA A 1 18 ? 10.637 -1.003 -2.831 1.00 81.94 18 A 1 ATOM 132 C CA . ALA A 1 18 ? 11.153 -0.052 -3.821 1.00 79.72 18 A 1 ATOM 133 C C . ALA A 1 18 ? 12.643 -0.282 -4.055 1.00 81.66 18 A 1 ATOM 134 O O . ALA A 1 18 ? 13.271 -1.083 -3.378 1.00 76.32 18 A 1 ATOM 135 C CB . ALA A 1 18 ? 10.909 1.362 -3.323 1.00 77.36 18 A 1 ATOM 136 N N . GLY A 1 19 ? 13.211 0.445 -5.027 1.00 79.90 19 A 1 ATOM 137 C CA . GLY A 1 19 ? 14.642 0.266 -5.341 1.00 75.67 19 A 1 ATOM 138 C C . GLY A 1 19 ? 15.518 0.601 -4.144 1.00 72.75 19 A 1 ATOM 139 O O . GLY A 1 19 ? 16.277 1.560 -4.228 1.00 65.98 19 A 1 ATOM 140 O OXT . GLY A 1 19 ? 15.445 -0.115 -3.133 1.00 68.79 19 A 1 #