# 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_spkb32745 # _entry.id spkb32745 # 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" "C4 H8 N2 O3" 132.118 ASN y ASPARAGINE C([C@@H](C(=O)O)N)C(=O)N ? "L-PEPTIDE LINKING" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[C@@H](C(=O)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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)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" "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 ASN 2 1 n TYR 3 1 n LEU 4 1 n VAL 5 1 n MET 6 1 n ILE 7 1 n SER 8 1 n LEU 9 1 n ALA 10 1 n LEU 11 1 n LEU 12 1 n PHE 13 1 n MET 14 1 n THR 15 1 n GLY 16 1 n VAL 17 1 n GLU 18 1 n SER 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 @ 2025-07-02 17:09:23)" _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 88.81 _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 76.92 1 1 A ASN 2 2 86.49 1 2 A TYR 3 2 88.96 1 3 A LEU 4 2 91.79 1 4 A VAL 5 2 94.55 1 5 A MET 6 2 88.83 1 6 A ILE 7 2 94.65 1 7 A SER 8 2 93.40 1 8 A LEU 9 2 92.59 1 9 A ALA 10 2 96.41 1 10 A LEU 11 2 94.08 1 11 A LEU 12 2 93.02 1 12 A PHE 13 2 89.56 1 13 A MET 14 2 88.36 1 14 A THR 15 2 91.10 1 15 A GLY 16 2 90.36 1 16 A VAL 17 2 87.35 1 17 A GLU 18 2 76.95 1 18 A SER 19 2 77.40 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 ASN . 2 A 2 A 3 1 n TYR . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n MET . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n MET . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n GLU . 18 A 18 A 19 1 n SER . 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 ? -14.009 5.221 3.683 1.00 83.92 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.944 4.411 4.292 1.00 87.26 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.986 3.865 3.232 1.00 87.81 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.028 3.164 3.545 1.00 81.62 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.549 3.256 5.096 1.00 78.79 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.591 2.692 6.138 1.00 71.23 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.397 1.507 7.217 1.00 65.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.086 1.196 8.394 1.00 58.80 1 A 1 ATOM 9 N N . ASN A 1 2 ? -12.260 4.195 1.999 1.00 88.94 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -11.428 3.752 0.889 1.00 92.21 2 A 1 ATOM 11 C C . ASN A 1 2 ? -10.021 4.332 0.962 1.00 93.24 2 A 1 ATOM 12 O O . ASN A 1 2 ? -9.070 3.740 0.449 1.00 90.66 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -12.076 4.140 -0.437 1.00 87.85 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -12.393 5.619 -0.507 1.00 82.58 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -13.073 6.156 0.356 1.00 78.99 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -11.910 6.283 -1.538 1.00 77.43 2 A 1 ATOM 17 N N . TYR A 1 3 ? -9.884 5.489 1.607 1.00 95.03 3 A 1 ATOM 18 C CA . TYR A 1 3 ? -8.580 6.139 1.737 1.00 95.57 3 A 1 ATOM 19 C C . TYR A 1 3 ? -7.628 5.287 2.575 1.00 96.19 3 A 1 ATOM 20 O O . TYR A 1 3 ? -6.407 5.374 2.426 1.00 95.40 3 A 1 ATOM 21 C CB . TYR A 1 3 ? -8.737 7.528 2.357 1.00 94.43 3 A 1 ATOM 22 C CG . TYR A 1 3 ? -9.093 7.487 3.828 1.00 89.82 3 A 1 ATOM 23 C CD1 . TYR A 1 3 ? -8.095 7.394 4.796 1.00 86.08 3 A 1 ATOM 24 C CD2 . TYR A 1 3 ? -10.416 7.541 4.238 1.00 84.99 3 A 1 ATOM 25 C CE1 . TYR A 1 3 ? -8.415 7.349 6.144 1.00 83.01 3 A 1 ATOM 26 C CE2 . TYR A 1 3 ? -10.742 7.493 5.590 1.00 83.25 3 A 1 ATOM 27 C CZ . TYR A 1 3 ? -9.736 7.399 6.533 1.00 82.80 3 A 1 ATOM 28 O OH . TYR A 1 3 ? -10.055 7.352 7.867 1.00 80.95 3 A 1 ATOM 29 N N . LEU A 1 4 ? -8.183 4.474 3.461 1.00 95.68 4 A 1 ATOM 30 C CA . LEU A 1 4 ? -7.385 3.604 4.321 1.00 95.98 4 A 1 ATOM 31 C C . LEU A 1 4 ? -6.598 2.604 3.485 1.00 96.54 4 A 1 ATOM 32 O O . LEU A 1 4 ? -5.453 2.272 3.787 1.00 96.22 4 A 1 ATOM 33 C CB . LEU A 1 4 ? -8.289 2.861 5.311 1.00 95.31 4 A 1 ATOM 34 C CG . LEU A 1 4 ? -7.798 2.875 6.757 1.00 86.68 4 A 1 ATOM 35 C CD1 . LEU A 1 4 ? -6.399 2.301 6.873 1.00 84.18 4 A 1 ATOM 36 C CD2 . LEU A 1 4 ? -7.839 4.297 7.302 1.00 83.71 4 A 1 ATOM 37 N N . VAL A 1 5 ? -7.226 2.125 2.425 1.00 96.11 5 A 1 ATOM 38 C CA . VAL A 1 5 ? -6.586 1.173 1.520 1.00 96.04 5 A 1 ATOM 39 C C . VAL A 1 5 ? -5.403 1.825 0.812 1.00 96.42 5 A 1 ATOM 40 O O . VAL A 1 5 ? -4.358 1.203 0.617 1.00 95.82 5 A 1 ATOM 41 C CB . VAL A 1 5 ? -7.582 0.647 0.478 1.00 94.99 5 A 1 ATOM 42 C CG1 . VAL A 1 5 ? -6.919 -0.376 -0.431 1.00 91.33 5 A 1 ATOM 43 C CG2 . VAL A 1 5 ? -8.797 0.046 1.163 1.00 91.11 5 A 1 ATOM 44 N N . MET A 1 6 ? -5.576 3.083 0.438 1.00 95.08 6 A 1 ATOM 45 C CA . MET A 1 6 ? -4.520 3.830 -0.240 1.00 95.36 6 A 1 ATOM 46 C C . MET A 1 6 ? -3.305 4.015 0.668 1.00 95.83 6 A 1 ATOM 47 O O . MET A 1 6 ? -2.165 3.875 0.234 1.00 95.27 6 A 1 ATOM 48 C CB . MET A 1 6 ? -5.042 5.196 -0.679 1.00 94.19 6 A 1 ATOM 49 C CG . MET A 1 6 ? -6.128 5.097 -1.739 1.00 86.25 6 A 1 ATOM 50 S SD . MET A 1 6 ? -5.510 4.446 -3.282 1.00 80.06 6 A 1 ATOM 51 C CE . MET A 1 6 ? -7.001 4.500 -4.271 1.00 68.57 6 A 1 ATOM 52 N N . ILE A 1 7 ? -3.562 4.327 1.927 1.00 96.24 7 A 1 ATOM 53 C CA . ILE A 1 7 ? -2.496 4.522 2.906 1.00 96.45 7 A 1 ATOM 54 C C . ILE A 1 7 ? -1.726 3.226 3.135 1.00 96.86 7 A 1 ATOM 55 O O . ILE A 1 7 ? -0.493 3.217 3.156 1.00 96.45 7 A 1 ATOM 56 C CB . ILE A 1 7 ? -3.063 5.033 4.238 1.00 96.05 7 A 1 ATOM 57 C CG1 . ILE A 1 7 ? -3.721 6.398 4.047 1.00 93.86 7 A 1 ATOM 58 C CG2 . ILE A 1 7 ? -1.955 5.121 5.287 1.00 93.03 7 A 1 ATOM 59 C CD1 . ILE A 1 7 ? -4.490 6.868 5.262 1.00 88.27 7 A 1 ATOM 60 N N . SER A 1 8 ? -2.455 2.134 3.307 1.00 95.38 8 A 1 ATOM 61 C CA . SER A 1 8 ? -1.835 0.834 3.539 1.00 95.37 8 A 1 ATOM 62 C C . SER A 1 8 ? -0.971 0.419 2.356 1.00 95.92 8 A 1 ATOM 63 O O . SER A 1 8 ? 0.145 -0.070 2.530 1.00 95.25 8 A 1 ATOM 64 C CB . SER A 1 8 ? -2.904 -0.227 3.786 1.00 94.57 8 A 1 ATOM 65 O OG . SER A 1 8 ? -3.659 0.090 4.935 1.00 83.90 8 A 1 ATOM 66 N N . LEU A 1 9 ? -1.488 0.626 1.158 1.00 95.98 9 A 1 ATOM 67 C CA . LEU A 1 9 ? -0.764 0.285 -0.060 1.00 95.94 9 A 1 ATOM 68 C C . LEU A 1 9 ? 0.501 1.123 -0.197 1.00 96.51 9 A 1 ATOM 69 O O . LEU A 1 9 ? 1.553 0.618 -0.591 1.00 96.29 9 A 1 ATOM 70 C CB . LEU A 1 9 ? -1.664 0.503 -1.275 1.00 95.13 9 A 1 ATOM 71 C CG . LEU A 1 9 ? -1.058 0.055 -2.600 1.00 88.67 9 A 1 ATOM 72 C CD1 . LEU A 1 9 ? -0.887 -1.452 -2.628 1.00 86.11 9 A 1 ATOM 73 C CD2 . LEU A 1 9 ? -1.936 0.508 -3.756 1.00 86.06 9 A 1 ATOM 74 N N . ALA A 1 10 ? 0.397 2.406 0.133 1.00 96.36 10 A 1 ATOM 75 C CA . ALA A 1 10 ? 1.527 3.324 0.054 1.00 96.55 10 A 1 ATOM 76 C C . ALA A 1 10 ? 2.638 2.912 1.013 1.00 96.88 10 A 1 ATOM 77 O O . ALA A 1 10 ? 3.813 2.921 0.652 1.00 96.16 10 A 1 ATOM 78 C CB . ALA A 1 10 ? 1.073 4.744 0.366 1.00 96.09 10 A 1 ATOM 79 N N . LEU A 1 11 ? 2.266 2.552 2.238 1.00 96.88 11 A 1 ATOM 80 C CA . LEU A 1 11 ? 3.227 2.120 3.245 1.00 96.88 11 A 1 ATOM 81 C C . LEU A 1 11 ? 3.950 0.858 2.808 1.00 96.93 11 A 1 ATOM 82 O O . LEU A 1 11 ? 5.161 0.731 2.977 1.00 96.21 11 A 1 ATOM 83 C CB . LEU A 1 11 ? 2.528 1.874 4.579 1.00 96.34 11 A 1 ATOM 84 C CG . LEU A 1 11 ? 2.634 3.034 5.563 1.00 91.75 11 A 1 ATOM 85 C CD1 . LEU A 1 11 ? 1.879 4.247 5.045 1.00 88.55 11 A 1 ATOM 86 C CD2 . LEU A 1 11 ? 2.100 2.623 6.924 1.00 89.09 11 A 1 ATOM 87 N N . LEU A 1 12 ? 3.200 -0.076 2.247 1.00 96.66 12 A 1 ATOM 88 C CA . LEU A 1 12 ? 3.769 -1.331 1.771 1.00 96.16 12 A 1 ATOM 89 C C . LEU A 1 12 ? 4.798 -1.082 0.677 1.00 96.02 12 A 1 ATOM 90 O O . LEU A 1 12 ? 5.875 -1.677 0.676 1.00 95.10 12 A 1 ATOM 91 C CB . LEU A 1 12 ? 2.661 -2.238 1.239 1.00 95.37 12 A 1 ATOM 92 C CG . LEU A 1 12 ? 3.138 -3.609 0.772 1.00 90.66 12 A 1 ATOM 93 C CD1 . LEU A 1 12 ? 3.616 -4.438 1.956 1.00 87.22 12 A 1 ATOM 94 C CD2 . LEU A 1 12 ? 2.021 -4.334 0.041 1.00 87.00 12 A 1 ATOM 95 N N . PHE A 1 13 ? 4.456 -0.200 -0.246 1.00 95.96 13 A 1 ATOM 96 C CA . PHE A 1 13 ? 5.345 0.134 -1.351 1.00 95.23 13 A 1 ATOM 97 C C . PHE A 1 13 ? 6.598 0.845 -0.852 1.00 95.24 13 A 1 ATOM 98 O O . PHE A 1 13 ? 7.708 0.542 -1.291 1.00 93.78 13 A 1 ATOM 99 C CB . PHE A 1 13 ? 4.615 1.013 -2.362 1.00 94.16 13 A 1 ATOM 100 C CG . PHE A 1 13 ? 5.409 1.249 -3.616 1.00 90.72 13 A 1 ATOM 101 C CD1 . PHE A 1 13 ? 5.559 0.243 -4.554 1.00 84.77 13 A 1 ATOM 102 C CD2 . PHE A 1 13 ? 6.005 2.477 -3.849 1.00 85.14 13 A 1 ATOM 103 C CE1 . PHE A 1 13 ? 6.290 0.457 -5.709 1.00 83.89 13 A 1 ATOM 104 C CE2 . PHE A 1 13 ? 6.747 2.695 -5.004 1.00 83.47 13 A 1 ATOM 105 C CZ . PHE A 1 13 ? 6.887 1.684 -5.937 1.00 82.76 13 A 1 ATOM 106 N N . MET A 1 14 ? 6.418 1.781 0.074 1.00 95.39 14 A 1 ATOM 107 C CA . MET A 1 14 ? 7.539 2.537 0.629 1.00 95.32 14 A 1 ATOM 108 C C . MET A 1 14 ? 8.495 1.639 1.403 1.00 95.07 14 A 1 ATOM 109 O O . MET A 1 14 ? 9.698 1.876 1.413 1.00 92.67 14 A 1 ATOM 110 C CB . MET A 1 14 ? 7.031 3.647 1.541 1.00 93.89 14 A 1 ATOM 111 C CG . MET A 1 14 ? 6.436 4.805 0.778 1.00 86.92 14 A 1 ATOM 112 S SD . MET A 1 14 ? 6.100 6.228 1.812 1.00 78.57 14 A 1 ATOM 113 C CE . MET A 1 14 ? 4.754 5.608 2.797 1.00 69.03 14 A 1 ATOM 114 N N . THR A 1 15 ? 7.962 0.614 2.049 1.00 95.44 15 A 1 ATOM 115 C CA . THR A 1 15 ? 8.783 -0.321 2.817 1.00 95.00 15 A 1 ATOM 116 C C . THR A 1 15 ? 9.817 -0.994 1.927 1.00 94.47 15 A 1 ATOM 117 O O . THR A 1 15 ? 10.982 -1.130 2.300 1.00 89.71 15 A 1 ATOM 118 C CB . THR A 1 15 ? 7.920 -1.399 3.478 1.00 93.23 15 A 1 ATOM 119 O OG1 . THR A 1 15 ? 6.967 -0.788 4.337 1.00 84.96 15 A 1 ATOM 120 C CG2 . THR A 1 15 ? 8.780 -2.347 4.298 1.00 84.89 15 A 1 ATOM 121 N N . GLY A 1 16 ? 9.390 -1.417 0.746 1.00 92.53 16 A 1 ATOM 122 C CA . GLY A 1 16 ? 10.288 -2.067 -0.196 1.00 90.93 16 A 1 ATOM 123 C C . GLY A 1 16 ? 11.268 -1.104 -0.833 1.00 90.40 16 A 1 ATOM 124 O O . GLY A 1 16 ? 12.416 -1.458 -1.096 1.00 87.57 16 A 1 ATOM 125 N N . VAL A 1 17 ? 10.819 0.121 -1.067 1.00 91.98 17 A 1 ATOM 126 C CA . VAL A 1 17 ? 11.656 1.151 -1.680 1.00 91.47 17 A 1 ATOM 127 C C . VAL A 1 17 ? 12.700 1.683 -0.708 1.00 90.69 17 A 1 ATOM 128 O O . VAL A 1 17 ? 13.834 1.961 -1.093 1.00 86.94 17 A 1 ATOM 129 C CB . VAL A 1 17 ? 10.805 2.316 -2.195 1.00 88.90 17 A 1 ATOM 130 C CG1 . VAL A 1 17 ? 11.689 3.416 -2.769 1.00 80.08 17 A 1 ATOM 131 C CG2 . VAL A 1 17 ? 9.827 1.831 -3.240 1.00 81.36 17 A 1 ATOM 132 N N . GLU A 1 18 ? 12.308 1.824 0.553 1.00 89.01 18 A 1 ATOM 133 C CA . GLU A 1 18 ? 13.202 2.350 1.578 1.00 87.84 18 A 1 ATOM 134 C C . GLU A 1 18 ? 14.380 1.419 1.826 1.00 85.67 18 A 1 ATOM 135 O O . GLU A 1 18 ? 15.503 1.870 2.054 1.00 78.77 18 A 1 ATOM 136 C CB . GLU A 1 18 ? 12.445 2.562 2.888 1.00 83.12 18 A 1 ATOM 137 C CG . GLU A 1 18 ? 13.291 3.226 3.955 1.00 74.06 18 A 1 ATOM 138 C CD . GLU A 1 18 ? 12.526 3.416 5.255 1.00 68.53 18 A 1 ATOM 139 O OE1 . GLU A 1 18 ? 11.359 3.002 5.330 1.00 61.64 18 A 1 ATOM 140 O OE2 . GLU A 1 18 ? 13.113 3.974 6.197 1.00 63.93 18 A 1 ATOM 141 N N . SER A 1 19 ? 14.128 0.126 1.804 1.00 85.35 19 A 1 ATOM 142 C CA . SER A 1 19 ? 15.163 -0.873 2.048 1.00 84.24 19 A 1 ATOM 143 C C . SER A 1 19 ? 16.213 -0.864 0.942 1.00 80.04 19 A 1 ATOM 144 O O . SER A 1 19 ? 17.411 -0.906 1.261 1.00 73.28 19 A 1 ATOM 145 C CB . SER A 1 19 ? 14.545 -2.262 2.166 1.00 78.22 19 A 1 ATOM 146 O OG . SER A 1 19 ? 13.653 -2.319 3.260 1.00 70.40 19 A 1 ATOM 147 O OXT . SER A 1 19 ? 15.831 -0.817 -0.230 1.00 70.30 19 A 1 #