# 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_spkb34203 # _entry.id spkb34203 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "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 VAL 3 1 n GLY 4 1 n TYR 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n ASN 9 1 n PHE 10 1 n LEU 11 1 n VAL 12 1 n ALA 13 1 n VAL 14 1 n VAL 15 1 n ARG 16 1 n ALA 17 # _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 15:27:55)" _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 94.04 _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 82.63 1 1 A ILE 2 2 88.17 1 2 A VAL 3 2 95.14 1 3 A GLY 4 2 97.50 1 4 A TYR 5 2 93.83 1 5 A LEU 6 2 96.07 1 6 A LEU 7 2 96.30 1 7 A LEU 8 2 96.40 1 8 A ASN 9 2 95.49 1 9 A PHE 10 2 95.25 1 10 A LEU 11 2 95.91 1 11 A VAL 12 2 97.23 1 12 A ALA 13 2 98.27 1 13 A VAL 14 2 96.80 1 14 A VAL 15 2 96.65 1 15 A ARG 16 2 89.77 1 16 A ALA 17 2 92.72 1 17 # _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 VAL . 3 A 3 A 4 1 n GLY . 4 A 4 A 5 1 n TYR . 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 ASN . 9 A 9 A 10 1 n PHE . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n ALA . 17 A 17 # _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 ? -2.978 7.774 12.847 1.00 87.68 1 A 1 ATOM 2 C CA . MET A 1 1 ? -2.517 7.712 11.456 1.00 89.85 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.335 6.262 11.004 1.00 90.20 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.478 5.953 10.178 1.00 86.27 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.189 8.457 11.307 1.00 83.98 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.307 9.923 11.666 1.00 78.35 1 A 1 ATOM 7 S SD . MET A 1 1 ? 0.275 10.772 11.607 1.00 76.12 1 A 1 ATOM 8 C CE . MET A 1 1 ? -0.241 12.418 12.059 1.00 68.61 1 A 1 ATOM 9 N N . ILE A 1 2 ? -3.154 5.386 11.562 1.00 86.89 2 A 1 ATOM 10 C CA . ILE A 1 2 ? -3.068 3.959 11.263 1.00 92.10 2 A 1 ATOM 11 C C . ILE A 1 2 ? -3.704 3.640 9.917 1.00 95.10 2 A 1 ATOM 12 O O . ILE A 1 2 ? -3.175 2.861 9.122 1.00 94.55 2 A 1 ATOM 13 C CB . ILE A 1 2 ? -3.748 3.139 12.371 1.00 89.91 2 A 1 ATOM 14 C CG1 . ILE A 1 2 ? -3.135 3.476 13.736 1.00 85.47 2 A 1 ATOM 15 C CG2 . ILE A 1 2 ? -3.629 1.656 12.076 1.00 83.88 2 A 1 ATOM 16 C CD1 . ILE A 1 2 ? -1.653 3.163 13.815 1.00 77.48 2 A 1 ATOM 17 N N . VAL A 1 3 ? -4.869 4.247 9.661 1.00 96.39 3 A 1 ATOM 18 C CA . VAL A 1 3 ? -5.604 4.005 8.421 1.00 96.83 3 A 1 ATOM 19 C C . VAL A 1 3 ? -4.766 4.379 7.204 1.00 97.50 3 A 1 ATOM 20 O O . VAL A 1 3 ? -4.692 3.625 6.231 1.00 97.06 3 A 1 ATOM 21 C CB . VAL A 1 3 ? -6.930 4.782 8.412 1.00 95.84 3 A 1 ATOM 22 C CG1 . VAL A 1 3 ? -7.664 4.560 7.097 1.00 90.87 3 A 1 ATOM 23 C CG2 . VAL A 1 3 ? -7.799 4.359 9.582 1.00 91.47 3 A 1 ATOM 24 N N . GLY A 1 4 ? -4.133 5.546 7.254 1.00 97.15 4 A 1 ATOM 25 C CA . GLY A 1 4 ? -3.298 6.001 6.147 1.00 97.34 4 A 1 ATOM 26 C C . GLY A 1 4 ? -2.158 5.044 5.860 1.00 97.86 4 A 1 ATOM 27 O O . GLY A 1 4 ? -1.858 4.741 4.705 1.00 97.63 4 A 1 ATOM 28 N N . TYR A 1 5 ? -1.517 4.553 6.919 1.00 97.59 5 A 1 ATOM 29 C CA . TYR A 1 5 ? -0.408 3.611 6.788 1.00 97.50 5 A 1 ATOM 30 C C . TYR A 1 5 ? -0.885 2.291 6.184 1.00 97.93 5 A 1 ATOM 31 O O . TYR A 1 5 ? -0.228 1.718 5.314 1.00 97.61 5 A 1 ATOM 32 C CB . TYR A 1 5 ? 0.229 3.369 8.157 1.00 97.10 5 A 1 ATOM 33 C CG . TYR A 1 5 ? 1.397 2.415 8.086 1.00 94.18 5 A 1 ATOM 34 C CD1 . TYR A 1 5 ? 2.620 2.831 7.570 1.00 91.99 5 A 1 ATOM 35 C CD2 . TYR A 1 5 ? 1.272 1.109 8.528 1.00 91.65 5 A 1 ATOM 36 C CE1 . TYR A 1 5 ? 3.692 1.962 7.498 1.00 90.24 5 A 1 ATOM 37 C CE2 . TYR A 1 5 ? 2.345 0.229 8.455 1.00 89.63 5 A 1 ATOM 38 C CZ . TYR A 1 5 ? 3.549 0.662 7.942 1.00 90.81 5 A 1 ATOM 39 O OH . TYR A 1 5 ? 4.609 -0.208 7.871 1.00 89.71 5 A 1 ATOM 40 N N . LEU A 1 6 ? -2.041 1.816 6.635 1.00 97.94 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -2.605 0.566 6.130 1.00 97.93 6 A 1 ATOM 42 C C . LEU A 1 6 ? -2.952 0.680 4.652 1.00 98.26 6 A 1 ATOM 43 O O . LEU A 1 6 ? -2.671 -0.231 3.868 1.00 98.12 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -3.855 0.202 6.932 1.00 97.79 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -3.565 -0.230 8.365 1.00 94.72 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -4.861 -0.373 9.141 1.00 91.83 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -2.794 -1.542 8.384 1.00 91.98 6 A 1 ATOM 48 N N . LEU A 1 7 ? -3.552 1.800 4.264 1.00 97.97 7 A 1 ATOM 49 C CA . LEU A 1 7 ? -3.922 2.031 2.869 1.00 98.05 7 A 1 ATOM 50 C C . LEU A 1 7 ? -2.685 2.077 1.983 1.00 98.31 7 A 1 ATOM 51 O O . LEU A 1 7 ? -2.649 1.458 0.918 1.00 98.20 7 A 1 ATOM 52 C CB . LEU A 1 7 ? -4.703 3.339 2.746 1.00 97.91 7 A 1 ATOM 53 C CG . LEU A 1 7 ? -6.102 3.289 3.353 1.00 94.75 7 A 1 ATOM 54 C CD1 . LEU A 1 7 ? -6.720 4.681 3.367 1.00 92.88 7 A 1 ATOM 55 C CD2 . LEU A 1 7 ? -6.990 2.331 2.575 1.00 92.32 7 A 1 ATOM 56 N N . LEU A 1 8 ? -1.673 2.802 2.429 1.00 98.05 8 A 1 ATOM 57 C CA . LEU A 1 8 ? -0.429 2.903 1.673 1.00 98.05 8 A 1 ATOM 58 C C . LEU A 1 8 ? 0.237 1.539 1.556 1.00 98.25 8 A 1 ATOM 59 O O . LEU A 1 8 ? 0.710 1.155 0.484 1.00 98.15 8 A 1 ATOM 60 C CB . LEU A 1 8 ? 0.516 3.893 2.352 1.00 97.83 8 A 1 ATOM 61 C CG . LEU A 1 8 ? 1.825 4.113 1.601 1.00 95.13 8 A 1 ATOM 62 C CD1 . LEU A 1 8 ? 1.568 4.722 0.230 1.00 93.03 8 A 1 ATOM 63 C CD2 . LEU A 1 8 ? 2.749 5.010 2.411 1.00 92.74 8 A 1 ATOM 64 N N . ASN A 1 9 ? 0.268 0.804 2.656 1.00 97.73 9 A 1 ATOM 65 C CA . ASN A 1 9 ? 0.865 -0.528 2.681 1.00 97.76 9 A 1 ATOM 66 C C . ASN A 1 9 ? 0.135 -1.468 1.731 1.00 98.04 9 A 1 ATOM 67 O O . ASN A 1 9 ? 0.752 -2.275 1.034 1.00 97.87 9 A 1 ATOM 68 C CB . ASN A 1 9 ? 0.830 -1.089 4.100 1.00 97.32 9 A 1 ATOM 69 C CG . ASN A 1 9 ? 1.648 -2.355 4.213 1.00 95.37 9 A 1 ATOM 70 O OD1 . ASN A 1 9 ? 2.327 -2.761 3.283 1.00 90.28 9 A 1 ATOM 71 N ND2 . ASN A 1 9 ? 1.598 -2.993 5.371 1.00 89.56 9 A 1 ATOM 72 N N . PHE A 1 10 ? -1.193 -1.357 1.697 1.00 98.06 10 A 1 ATOM 73 C CA . PHE A 1 10 ? -2.007 -2.173 0.802 1.00 98.03 10 A 1 ATOM 74 C C . PHE A 1 10 ? -1.677 -1.876 -0.657 1.00 98.24 10 A 1 ATOM 75 O O . PHE A 1 10 ? -1.469 -2.795 -1.456 1.00 97.84 10 A 1 ATOM 76 C CB . PHE A 1 10 ? -3.492 -1.916 1.071 1.00 97.85 10 A 1 ATOM 77 C CG . PHE A 1 10 ? -4.396 -2.673 0.137 1.00 95.93 10 A 1 ATOM 78 C CD1 . PHE A 1 10 ? -4.518 -4.047 0.240 1.00 92.83 10 A 1 ATOM 79 C CD2 . PHE A 1 10 ? -5.109 -2.004 -0.839 1.00 93.35 10 A 1 ATOM 80 C CE1 . PHE A 1 10 ? -5.343 -4.752 -0.621 1.00 92.01 10 A 1 ATOM 81 C CE2 . PHE A 1 10 ? -5.937 -2.706 -1.709 1.00 91.76 10 A 1 ATOM 82 C CZ . PHE A 1 10 ? -6.054 -4.080 -1.598 1.00 91.86 10 A 1 ATOM 83 N N . LEU A 1 11 ? -1.622 -0.595 -1.003 1.00 97.98 11 A 1 ATOM 84 C CA . LEU A 1 11 ? -1.314 -0.191 -2.374 1.00 97.94 11 A 1 ATOM 85 C C . LEU A 1 11 ? 0.077 -0.661 -2.781 1.00 98.18 11 A 1 ATOM 86 O O . LEU A 1 11 ? 0.269 -1.193 -3.877 1.00 97.93 11 A 1 ATOM 87 C CB . LEU A 1 11 ? -1.411 1.329 -2.504 1.00 97.68 11 A 1 ATOM 88 C CG . LEU A 1 11 ? -2.828 1.880 -2.367 1.00 94.28 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? -2.800 3.399 -2.284 1.00 91.52 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? -3.694 1.436 -3.540 1.00 91.81 11 A 1 ATOM 91 N N . VAL A 1 12 ? 1.034 -0.473 -1.898 1.00 98.17 12 A 1 ATOM 92 C CA . VAL A 1 12 ? 2.407 -0.892 -2.159 1.00 98.01 12 A 1 ATOM 93 C C . VAL A 1 12 ? 2.479 -2.402 -2.339 1.00 98.14 12 A 1 ATOM 94 O O . VAL A 1 12 ? 3.174 -2.902 -3.225 1.00 97.82 12 A 1 ATOM 95 C CB . VAL A 1 12 ? 3.337 -0.449 -1.023 1.00 97.50 12 A 1 ATOM 96 C CG1 . VAL A 1 12 ? 4.732 -1.038 -1.205 1.00 95.36 12 A 1 ATOM 97 C CG2 . VAL A 1 12 ? 3.417 1.067 -0.975 1.00 95.62 12 A 1 ATOM 98 N N . ALA A 1 13 ? 1.754 -3.132 -1.502 1.00 98.41 13 A 1 ATOM 99 C CA . ALA A 1 13 ? 1.736 -4.589 -1.578 1.00 98.35 13 A 1 ATOM 100 C C . ALA A 1 13 ? 1.150 -5.066 -2.901 1.00 98.46 13 A 1 ATOM 101 O O . ALA A 1 13 ? 1.659 -6.010 -3.507 1.00 98.09 13 A 1 ATOM 102 C CB . ALA A 1 13 ? 0.936 -5.162 -0.411 1.00 98.02 13 A 1 ATOM 103 N N . VAL A 1 14 ? 0.080 -4.422 -3.353 1.00 98.24 14 A 1 ATOM 104 C CA . VAL A 1 14 ? -0.566 -4.790 -4.613 1.00 98.10 14 A 1 ATOM 105 C C . VAL A 1 14 ? 0.363 -4.550 -5.798 1.00 98.18 14 A 1 ATOM 106 O O . VAL A 1 14 ? 0.498 -5.403 -6.680 1.00 97.44 14 A 1 ATOM 107 C CB . VAL A 1 14 ? -1.876 -4.006 -4.807 1.00 97.39 14 A 1 ATOM 108 C CG1 . VAL A 1 14 ? -2.460 -4.264 -6.192 1.00 94.07 14 A 1 ATOM 109 C CG2 . VAL A 1 14 ? -2.883 -4.400 -3.741 1.00 94.15 14 A 1 ATOM 110 N N . VAL A 1 15 ? 0.983 -3.384 -5.835 1.00 98.10 15 A 1 ATOM 111 C CA . VAL A 1 15 ? 1.876 -3.028 -6.938 1.00 97.95 15 A 1 ATOM 112 C C . VAL A 1 15 ? 3.170 -3.837 -6.891 1.00 98.03 15 A 1 ATOM 113 O O . VAL A 1 15 ? 3.681 -4.279 -7.924 1.00 97.34 15 A 1 ATOM 114 C CB . VAL A 1 15 ? 2.198 -1.525 -6.914 1.00 97.28 15 A 1 ATOM 115 C CG1 . VAL A 1 15 ? 3.206 -1.170 -7.998 1.00 93.88 15 A 1 ATOM 116 C CG2 . VAL A 1 15 ? 0.928 -0.712 -7.098 1.00 93.96 15 A 1 ATOM 117 N N . ARG A 1 16 ? 3.699 -4.010 -5.695 1.00 97.71 16 A 1 ATOM 118 C CA . ARG A 1 16 ? 4.963 -4.722 -5.509 1.00 97.31 16 A 1 ATOM 119 C C . ARG A 1 16 ? 4.794 -6.236 -5.612 1.00 97.22 16 A 1 ATOM 120 O O . ARG A 1 16 ? 5.754 -6.953 -5.892 1.00 95.60 16 A 1 ATOM 121 C CB . ARG A 1 16 ? 5.569 -4.340 -4.156 1.00 95.74 16 A 1 ATOM 122 C CG . ARG A 1 16 ? 6.959 -4.885 -3.943 1.00 90.47 16 A 1 ATOM 123 C CD . ARG A 1 16 ? 7.565 -4.330 -2.667 1.00 88.97 16 A 1 ATOM 124 N NE . ARG A 1 16 ? 7.875 -2.897 -2.814 1.00 85.10 16 A 1 ATOM 125 C CZ . ARG A 1 16 ? 8.213 -2.099 -1.807 1.00 83.75 16 A 1 ATOM 126 N NH1 . ARG A 1 16 ? 8.288 -2.563 -0.577 1.00 77.28 16 A 1 ATOM 127 N NH2 . ARG A 1 16 ? 8.473 -0.822 -2.039 1.00 78.31 16 A 1 ATOM 128 N N . ALA A 1 17 ? 3.580 -6.697 -5.403 1.00 96.23 17 A 1 ATOM 129 C CA . ALA A 1 17 ? 3.294 -8.137 -5.453 1.00 95.56 17 A 1 ATOM 130 C C . ALA A 1 17 ? 2.901 -8.560 -6.865 1.00 94.86 17 A 1 ATOM 131 O O . ALA A 1 17 ? 1.821 -9.130 -7.066 1.00 92.08 17 A 1 ATOM 132 C CB . ALA A 1 17 ? 2.202 -8.477 -4.453 1.00 93.01 17 A 1 ATOM 133 O OXT . ALA A 1 17 ? 3.711 -8.307 -7.784 1.00 84.58 17 A 1 #