# 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_spkb41114 # _entry.id spkb41114 # 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" "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" "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" "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 ARG 2 1 n ALA 3 1 n LEU 4 1 n SER 5 1 n ALA 6 1 n ASN 7 1 n LEU 8 1 n PHE 9 1 n ALA 10 1 n VAL 11 1 n LEU 12 1 n LEU 13 1 n MET 14 1 n CYS 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 @ 2025-07-07 16:17:34)" _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 95.14 _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 87.50 1 1 A ARG 2 2 86.37 1 2 A ALA 3 2 94.50 1 3 A LEU 4 2 94.12 1 4 A SER 5 2 95.44 1 5 A ALA 6 2 98.22 1 6 A ASN 7 2 96.58 1 7 A LEU 8 2 97.08 1 8 A PHE 9 2 96.64 1 9 A ALA 10 2 98.35 1 10 A VAL 11 2 97.81 1 11 A LEU 12 2 97.17 1 12 A LEU 13 2 97.09 1 13 A MET 14 2 94.97 1 14 A CYS 15 2 98.05 1 15 A ALA 16 2 98.49 1 16 A LEU 17 2 97.18 1 17 A ALA 18 2 93.80 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 ARG . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n VAL . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n CYS . 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 ? -16.183 -1.724 -2.089 1.00 93.19 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.946 -2.476 -2.375 1.00 93.10 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.784 -1.990 -1.519 1.00 94.37 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.765 -0.841 -1.087 1.00 92.26 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.578 -2.335 -3.852 1.00 89.65 1 A 1 ATOM 6 C CG . MET A 1 1 ? -14.667 -3.645 -4.608 1.00 86.34 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.714 -3.529 -6.066 1.00 80.96 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.935 -4.771 -5.684 1.00 70.12 1 A 1 ATOM 9 N N . ARG A 1 2 ? -12.815 -2.852 -1.284 1.00 92.82 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -11.662 -2.528 -0.449 1.00 95.54 2 A 1 ATOM 11 C C . ARG A 1 2 ? -10.439 -2.166 -1.292 1.00 97.00 2 A 1 ATOM 12 O O . ARG A 1 2 ? -9.308 -2.478 -0.928 1.00 96.22 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -11.350 -3.705 0.465 1.00 93.19 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -11.061 -3.273 1.891 1.00 86.53 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -9.853 -4.010 2.433 1.00 84.88 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -9.293 -3.339 3.601 1.00 80.25 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -8.110 -3.647 4.115 1.00 79.20 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -7.376 -4.616 3.588 1.00 72.37 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -7.664 -2.978 5.160 1.00 72.04 2 A 1 ATOM 20 N N . ALA A 1 3 ? -10.664 -1.519 -2.414 1.00 92.55 3 A 1 ATOM 21 C CA . ALA A 1 3 ? -9.582 -1.141 -3.325 1.00 94.94 3 A 1 ATOM 22 C C . ALA A 1 3 ? -8.839 0.101 -2.840 1.00 96.64 3 A 1 ATOM 23 O O . ALA A 1 3 ? -7.657 0.276 -3.130 1.00 95.33 3 A 1 ATOM 24 C CB . ALA A 1 3 ? -10.143 -0.912 -4.719 1.00 93.06 3 A 1 ATOM 25 N N . LEU A 1 4 ? -9.524 0.953 -2.093 1.00 96.05 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -8.935 2.184 -1.569 1.00 95.96 4 A 1 ATOM 27 C C . LEU A 1 4 ? -7.789 1.876 -0.609 1.00 97.25 4 A 1 ATOM 28 O O . LEU A 1 4 ? -6.708 2.459 -0.712 1.00 96.98 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -10.012 3.020 -0.868 1.00 95.87 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -9.754 4.523 -0.836 1.00 92.86 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -8.588 4.868 0.074 1.00 88.94 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -9.527 5.061 -2.234 1.00 89.02 4 A 1 ATOM 33 N N . SER A 1 5 ? -8.028 0.972 0.313 1.00 97.06 5 A 1 ATOM 34 C CA . SER A 1 5 ? -7.018 0.593 1.299 1.00 97.57 5 A 1 ATOM 35 C C . SER A 1 5 ? -5.890 -0.215 0.669 1.00 97.92 5 A 1 ATOM 36 O O . SER A 1 5 ? -4.723 -0.050 1.019 1.00 97.54 5 A 1 ATOM 37 C CB . SER A 1 5 ? -7.664 -0.207 2.424 1.00 96.55 5 A 1 ATOM 38 O OG . SER A 1 5 ? -7.415 0.404 3.666 1.00 85.98 5 A 1 ATOM 39 N N . ALA A 1 6 ? -6.238 -1.093 -0.265 1.00 98.10 6 A 1 ATOM 40 C CA . ALA A 1 6 ? -5.249 -1.938 -0.939 1.00 98.29 6 A 1 ATOM 41 C C . ALA A 1 6 ? -4.275 -1.109 -1.771 1.00 98.50 6 A 1 ATOM 42 O O . ALA A 1 6 ? -3.072 -1.365 -1.766 1.00 98.25 6 A 1 ATOM 43 C CB . ALA A 1 6 ? -5.956 -2.958 -1.822 1.00 97.94 6 A 1 ATOM 44 N N . ASN A 1 7 ? -4.803 -0.124 -2.487 1.00 98.26 7 A 1 ATOM 45 C CA . ASN A 1 7 ? -3.969 0.738 -3.322 1.00 98.28 7 A 1 ATOM 46 C C . ASN A 1 7 ? -3.063 1.622 -2.476 1.00 98.45 7 A 1 ATOM 47 O O . ASN A 1 7 ? -1.882 1.787 -2.783 1.00 98.25 7 A 1 ATOM 48 C CB . ASN A 1 7 ? -4.842 1.603 -4.228 1.00 98.06 7 A 1 ATOM 49 C CG . ASN A 1 7 ? -5.121 0.936 -5.558 1.00 96.48 7 A 1 ATOM 50 O OD1 . ASN A 1 7 ? -6.266 0.701 -5.917 1.00 92.70 7 A 1 ATOM 51 N ND2 . ASN A 1 7 ? -4.079 0.637 -6.311 1.00 92.18 7 A 1 ATOM 52 N N . LEU A 1 8 ? -3.614 2.182 -1.414 1.00 98.27 8 A 1 ATOM 53 C CA . LEU A 1 8 ? -2.845 3.042 -0.518 1.00 98.31 8 A 1 ATOM 54 C C . LEU A 1 8 ? -1.695 2.283 0.131 1.00 98.47 8 A 1 ATOM 55 O O . LEU A 1 8 ? -0.590 2.813 0.268 1.00 98.41 8 A 1 ATOM 56 C CB . LEU A 1 8 ? -3.764 3.613 0.560 1.00 98.28 8 A 1 ATOM 57 C CG . LEU A 1 8 ? -4.167 5.061 0.322 1.00 96.54 8 A 1 ATOM 58 C CD1 . LEU A 1 8 ? -5.433 5.396 1.087 1.00 94.07 8 A 1 ATOM 59 C CD2 . LEU A 1 8 ? -3.041 5.995 0.732 1.00 94.33 8 A 1 ATOM 60 N N . PHE A 1 9 ? -1.960 1.054 0.524 1.00 98.45 9 A 1 ATOM 61 C CA . PHE A 1 9 ? -0.940 0.224 1.158 1.00 98.39 9 A 1 ATOM 62 C C . PHE A 1 9 ? 0.167 -0.128 0.174 1.00 98.52 9 A 1 ATOM 63 O O . PHE A 1 9 ? 1.344 -0.166 0.538 1.00 98.40 9 A 1 ATOM 64 C CB . PHE A 1 9 ? -1.578 -1.050 1.705 1.00 98.11 9 A 1 ATOM 65 C CG . PHE A 1 9 ? -0.869 -1.569 2.929 1.00 96.78 9 A 1 ATOM 66 C CD1 . PHE A 1 9 ? -1.036 -0.945 4.156 1.00 95.34 9 A 1 ATOM 67 C CD2 . PHE A 1 9 ? -0.043 -2.675 2.843 1.00 95.40 9 A 1 ATOM 68 C CE1 . PHE A 1 9 ? -0.382 -1.410 5.285 1.00 94.71 9 A 1 ATOM 69 C CE2 . PHE A 1 9 ? 0.618 -3.149 3.972 1.00 94.21 9 A 1 ATOM 70 C CZ . PHE A 1 9 ? 0.448 -2.517 5.194 1.00 94.71 9 A 1 ATOM 71 N N . ALA A 1 10 ? -0.199 -0.387 -1.073 1.00 98.45 10 A 1 ATOM 72 C CA . ALA A 1 10 ? 0.771 -0.735 -2.111 1.00 98.42 10 A 1 ATOM 73 C C . ALA A 1 10 ? 1.729 0.425 -2.375 1.00 98.55 10 A 1 ATOM 74 O O . ALA A 1 10 ? 2.932 0.222 -2.541 1.00 98.23 10 A 1 ATOM 75 C CB . ALA A 1 10 ? 0.043 -1.116 -3.392 1.00 98.09 10 A 1 ATOM 76 N N . VAL A 1 11 ? 1.200 1.633 -2.407 1.00 98.43 11 A 1 ATOM 77 C CA . VAL A 1 11 ? 2.008 2.827 -2.643 1.00 98.41 11 A 1 ATOM 78 C C . VAL A 1 11 ? 2.928 3.099 -1.459 1.00 98.57 11 A 1 ATOM 79 O O . VAL A 1 11 ? 4.083 3.493 -1.636 1.00 98.33 11 A 1 ATOM 80 C CB . VAL A 1 11 ? 1.112 4.049 -2.910 1.00 98.08 11 A 1 ATOM 81 C CG1 . VAL A 1 11 ? 1.954 5.297 -3.139 1.00 96.51 11 A 1 ATOM 82 C CG2 . VAL A 1 11 ? 0.226 3.795 -4.119 1.00 96.36 11 A 1 ATOM 83 N N . LEU A 1 12 ? 2.406 2.888 -0.263 1.00 98.35 12 A 1 ATOM 84 C CA . LEU A 1 12 ? 3.188 3.107 0.952 1.00 98.38 12 A 1 ATOM 85 C C . LEU A 1 12 ? 4.371 2.149 1.026 1.00 98.56 12 A 1 ATOM 86 O O . LEU A 1 12 ? 5.466 2.535 1.436 1.00 98.47 12 A 1 ATOM 87 C CB . LEU A 1 12 ? 2.296 2.928 2.180 1.00 98.28 12 A 1 ATOM 88 C CG . LEU A 1 12 ? 1.545 4.191 2.591 1.00 96.36 12 A 1 ATOM 89 C CD1 . LEU A 1 12 ? 0.299 3.839 3.383 1.00 94.49 12 A 1 ATOM 90 C CD2 . LEU A 1 12 ? 2.453 5.098 3.408 1.00 94.49 12 A 1 ATOM 91 N N . LEU A 1 13 ? 4.151 0.909 0.620 1.00 98.45 13 A 1 ATOM 92 C CA . LEU A 1 13 ? 5.205 -0.103 0.629 1.00 98.37 13 A 1 ATOM 93 C C . LEU A 1 13 ? 6.316 0.268 -0.344 1.00 98.56 13 A 1 ATOM 94 O O . LEU A 1 13 ? 7.502 0.134 -0.035 1.00 98.47 13 A 1 ATOM 95 C CB . LEU A 1 13 ? 4.617 -1.466 0.263 1.00 98.15 13 A 1 ATOM 96 C CG . LEU A 1 13 ? 4.510 -2.429 1.444 1.00 95.57 13 A 1 ATOM 97 C CD1 . LEU A 1 13 ? 3.397 -3.440 1.204 1.00 94.52 13 A 1 ATOM 98 C CD2 . LEU A 1 13 ? 5.832 -3.136 1.671 1.00 94.63 13 A 1 ATOM 99 N N . MET A 1 14 ? 5.940 0.739 -1.525 1.00 98.36 14 A 1 ATOM 100 C CA . MET A 1 14 ? 6.910 1.147 -2.536 1.00 98.40 14 A 1 ATOM 101 C C . MET A 1 14 ? 7.702 2.368 -2.078 1.00 98.61 14 A 1 ATOM 102 O O . MET A 1 14 ? 8.885 2.498 -2.377 1.00 98.36 14 A 1 ATOM 103 C CB . MET A 1 14 ? 6.188 1.451 -3.842 1.00 98.07 14 A 1 ATOM 104 C CG . MET A 1 14 ? 5.930 0.197 -4.655 1.00 95.33 14 A 1 ATOM 105 S SD . MET A 1 14 ? 7.301 -0.150 -5.753 1.00 89.94 14 A 1 ATOM 106 C CE . MET A 1 14 ? 6.421 -0.859 -7.147 1.00 82.68 14 A 1 ATOM 107 N N . CYS A 1 15 ? 7.052 3.249 -1.361 1.00 98.59 15 A 1 ATOM 108 C CA . CYS A 1 15 ? 7.688 4.458 -0.851 1.00 98.60 15 A 1 ATOM 109 C C . CYS A 1 15 ? 8.729 4.128 0.216 1.00 98.70 15 A 1 ATOM 110 O O . CYS A 1 15 ? 9.785 4.754 0.278 1.00 98.39 15 A 1 ATOM 111 C CB . CYS A 1 15 ? 6.624 5.396 -0.274 1.00 98.27 15 A 1 ATOM 112 S SG . CYS A 1 15 ? 6.852 7.106 -0.785 1.00 95.78 15 A 1 ATOM 113 N N . ALA A 1 16 ? 8.423 3.153 1.041 1.00 98.58 16 A 1 ATOM 114 C CA . ALA A 1 16 ? 9.328 2.738 2.113 1.00 98.56 16 A 1 ATOM 115 C C . ALA A 1 16 ? 10.540 1.991 1.565 1.00 98.66 16 A 1 ATOM 116 O O . ALA A 1 16 ? 11.630 2.064 2.133 1.00 98.35 16 A 1 ATOM 117 C CB . ALA A 1 16 ? 8.578 1.866 3.114 1.00 98.28 16 A 1 ATOM 118 N N . LEU A 1 17 ? 10.347 1.268 0.471 1.00 98.53 17 A 1 ATOM 119 C CA . LEU A 1 17 ? 11.421 0.500 -0.153 1.00 98.38 17 A 1 ATOM 120 C C . LEU A 1 17 ? 12.096 1.269 -1.280 1.00 98.49 17 A 1 ATOM 121 O O . LEU A 1 17 ? 13.044 0.768 -1.890 1.00 98.03 17 A 1 ATOM 122 C CB . LEU A 1 17 ? 10.866 -0.827 -0.684 1.00 97.99 17 A 1 ATOM 123 C CG . LEU A 1 17 ? 10.670 -1.907 0.384 1.00 96.71 17 A 1 ATOM 124 C CD1 . LEU A 1 17 ? 9.617 -2.905 -0.054 1.00 95.12 17 A 1 ATOM 125 C CD2 . LEU A 1 17 ? 11.995 -2.613 0.653 1.00 94.18 17 A 1 ATOM 126 N N . ALA A 1 18 ? 11.628 2.475 -1.545 1.00 97.51 18 A 1 ATOM 127 C CA . ALA A 1 18 ? 12.173 3.297 -2.624 1.00 96.47 18 A 1 ATOM 128 C C . ALA A 1 18 ? 13.638 3.641 -2.354 1.00 95.41 18 A 1 ATOM 129 O O . ALA A 1 18 ? 14.445 3.591 -3.298 1.00 93.34 18 A 1 ATOM 130 C CB . ALA A 1 18 ? 11.338 4.561 -2.786 1.00 94.17 18 A 1 ATOM 131 O OXT . ALA A 1 18 ? 13.977 3.970 -1.239 1.00 85.90 18 A 1 #