# 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_spkb25738 # _entry.id spkb25738 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "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 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" "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 ALA 2 1 n ARG 3 1 n ASN 4 1 n VAL 5 1 n GLY 6 1 n PHE 7 1 n PHE 8 1 n ILE 9 1 n CYS 10 1 n ILE 11 1 n LEU 12 1 n ILE 13 1 n LEU 14 1 n ALA 15 1 n MET 16 1 n ASP 17 1 n VAL 18 1 n SER 19 1 n ALA 20 # _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 @ 2025-07-06 00:02:56)" _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 91.98 _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 80.71 1 1 A ALA 2 2 88.10 1 2 A ARG 3 2 81.36 1 3 A ASN 4 2 90.16 1 4 A VAL 5 2 94.99 1 5 A GLY 6 2 96.73 1 6 A PHE 7 2 94.35 1 7 A PHE 8 2 93.35 1 8 A ILE 9 2 95.10 1 9 A CYS 10 2 95.72 1 10 A ILE 11 2 95.54 1 11 A LEU 12 2 94.61 1 12 A ILE 13 2 95.78 1 13 A LEU 14 2 94.57 1 14 A ALA 15 2 97.05 1 15 A MET 16 2 90.94 1 16 A ASP 17 2 93.55 1 17 A VAL 18 2 94.68 1 18 A SER 19 2 91.29 1 19 A ALA 20 2 86.47 1 20 # _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 ALA . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n ASN . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n GLY . 6 A 6 A 7 1 n PHE . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n ILE . 9 A 9 A 10 1 n CYS . 10 A 10 A 11 1 n ILE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n ILE . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n MET . 16 A 16 A 17 1 n ASP . 17 A 17 A 18 1 n VAL . 18 A 18 A 19 1 n SER . 19 A 19 A 20 1 n ALA . 20 A 20 # _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 ? -15.533 1.929 2.987 1.00 86.64 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.274 2.546 2.521 1.00 88.75 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.094 2.002 3.345 1.00 90.15 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.440 2.745 4.073 1.00 86.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.384 4.072 2.638 1.00 82.67 1 A 1 ATOM 6 C CG . MET A 1 1 ? -13.304 4.832 1.876 1.00 75.56 1 A 1 ATOM 7 S SD . MET A 1 1 ? -13.644 6.602 1.850 1.00 72.11 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.203 7.215 0.990 1.00 63.76 1 A 1 ATOM 9 N N . ALA A 1 2 ? -12.853 0.703 3.252 1.00 84.93 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -11.809 0.046 4.049 1.00 90.01 2 A 1 ATOM 11 C C . ALA A 1 2 ? -10.645 -0.449 3.186 1.00 91.80 2 A 1 ATOM 12 O O . ALA A 1 2 ? -9.485 -0.367 3.587 1.00 87.59 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -12.424 -1.108 4.838 1.00 86.17 2 A 1 ATOM 14 N N . ARG A 1 3 ? -10.963 -0.957 1.986 1.00 92.18 3 A 1 ATOM 15 C CA . ARG A 1 3 ? -9.941 -1.512 1.088 1.00 94.26 3 A 1 ATOM 16 C C . ARG A 1 3 ? -8.997 -0.425 0.568 1.00 94.91 3 A 1 ATOM 17 O O . ARG A 1 3 ? -7.804 -0.662 0.381 1.00 92.88 3 A 1 ATOM 18 C CB . ARG A 1 3 ? -10.627 -2.238 -0.072 1.00 91.19 3 A 1 ATOM 19 C CG . ARG A 1 3 ? -9.771 -3.366 -0.632 1.00 81.57 3 A 1 ATOM 20 C CD . ARG A 1 3 ? -10.554 -4.665 -0.705 1.00 79.97 3 A 1 ATOM 21 N NE . ARG A 1 3 ? -9.682 -5.802 -1.006 1.00 72.45 3 A 1 ATOM 22 C CZ . ARG A 1 3 ? -9.764 -6.997 -0.434 1.00 69.33 3 A 1 ATOM 23 N NH1 . ARG A 1 3 ? -10.680 -7.257 0.470 1.00 64.01 3 A 1 ATOM 24 N NH2 . ARG A 1 3 ? -8.923 -7.950 -0.773 1.00 62.16 3 A 1 ATOM 25 N N . ASN A 1 4 ? -9.524 0.778 0.342 1.00 92.75 4 A 1 ATOM 26 C CA . ASN A 1 4 ? -8.732 1.902 -0.161 1.00 94.92 4 A 1 ATOM 27 C C . ASN A 1 4 ? -7.726 2.387 0.888 1.00 96.03 4 A 1 ATOM 28 O O . ASN A 1 4 ? -6.616 2.801 0.554 1.00 94.93 4 A 1 ATOM 29 C CB . ASN A 1 4 ? -9.670 3.041 -0.587 1.00 92.92 4 A 1 ATOM 30 C CG . ASN A 1 4 ? -9.305 3.610 -1.941 1.00 87.90 4 A 1 ATOM 31 O OD1 . ASN A 1 4 ? -8.475 3.074 -2.661 1.00 82.31 4 A 1 ATOM 32 N ND2 . ASN A 1 4 ? -9.934 4.711 -2.312 1.00 79.50 4 A 1 ATOM 33 N N . VAL A 1 5 ? -8.098 2.316 2.167 1.00 96.21 5 A 1 ATOM 34 C CA . VAL A 1 5 ? -7.218 2.709 3.274 1.00 96.63 5 A 1 ATOM 35 C C . VAL A 1 5 ? -6.017 1.766 3.357 1.00 97.06 5 A 1 ATOM 36 O O . VAL A 1 5 ? -4.878 2.212 3.518 1.00 96.35 5 A 1 ATOM 37 C CB . VAL A 1 5 ? -7.989 2.732 4.606 1.00 95.82 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? -7.070 3.080 5.772 1.00 91.17 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? -9.136 3.733 4.540 1.00 91.66 5 A 1 ATOM 40 N N . GLY A 1 6 ? -6.267 0.462 3.229 1.00 96.20 6 A 1 ATOM 41 C CA . GLY A 1 6 ? -5.194 -0.532 3.245 1.00 96.56 6 A 1 ATOM 42 C C . GLY A 1 6 ? -4.205 -0.323 2.106 1.00 97.25 6 A 1 ATOM 43 O O . GLY A 1 6 ? -2.992 -0.427 2.296 1.00 96.91 6 A 1 ATOM 44 N N . PHE A 1 7 ? -4.728 0.002 0.915 1.00 96.18 7 A 1 ATOM 45 C CA . PHE A 1 7 ? -3.893 0.281 -0.260 1.00 96.56 7 A 1 ATOM 46 C C . PHE A 1 7 ? -2.996 1.504 -0.019 1.00 97.15 7 A 1 ATOM 47 O O . PHE A 1 7 ? -1.806 1.484 -0.337 1.00 96.98 7 A 1 ATOM 48 C CB . PHE A 1 7 ? -4.794 0.495 -1.483 1.00 96.15 7 A 1 ATOM 49 C CG . PHE A 1 7 ? -4.026 0.765 -2.754 1.00 94.88 7 A 1 ATOM 50 C CD1 . PHE A 1 7 ? -3.219 -0.219 -3.316 1.00 92.87 7 A 1 ATOM 51 C CD2 . PHE A 1 7 ? -4.127 1.998 -3.386 1.00 93.02 7 A 1 ATOM 52 C CE1 . PHE A 1 7 ? -2.514 0.022 -4.491 1.00 91.49 7 A 1 ATOM 53 C CE2 . PHE A 1 7 ? -3.422 2.247 -4.565 1.00 90.96 7 A 1 ATOM 54 C CZ . PHE A 1 7 ? -2.614 1.259 -5.116 1.00 91.63 7 A 1 ATOM 55 N N . PHE A 1 8 ? -3.561 2.561 0.572 1.00 96.12 8 A 1 ATOM 56 C CA . PHE A 1 8 ? -2.811 3.783 0.882 1.00 96.47 8 A 1 ATOM 57 C C . PHE A 1 8 ? -1.694 3.505 1.895 1.00 96.92 8 A 1 ATOM 58 O O . PHE A 1 8 ? -0.574 4.001 1.749 1.00 96.79 8 A 1 ATOM 59 C CB . PHE A 1 8 ? -3.773 4.847 1.418 1.00 96.27 8 A 1 ATOM 60 C CG . PHE A 1 8 ? -3.141 6.215 1.529 1.00 93.84 8 A 1 ATOM 61 C CD1 . PHE A 1 8 ? -2.886 6.972 0.390 1.00 90.78 8 A 1 ATOM 62 C CD2 . PHE A 1 8 ? -2.811 6.734 2.775 1.00 90.84 8 A 1 ATOM 63 C CE1 . PHE A 1 8 ? -2.305 8.233 0.493 1.00 89.57 8 A 1 ATOM 64 C CE2 . PHE A 1 8 ? -2.223 7.995 2.882 1.00 89.51 8 A 1 ATOM 65 C CZ . PHE A 1 8 ? -1.970 8.745 1.742 1.00 89.72 8 A 1 ATOM 66 N N . ILE A 1 9 ? -1.989 2.687 2.908 1.00 96.71 9 A 1 ATOM 67 C CA . ILE A 1 9 ? -1.002 2.303 3.923 1.00 96.80 9 A 1 ATOM 68 C C . ILE A 1 9 ? 0.131 1.493 3.284 1.00 97.17 9 A 1 ATOM 69 O O . ILE A 1 9 ? 1.305 1.712 3.597 1.00 97.04 9 A 1 ATOM 70 C CB . ILE A 1 9 ? -1.679 1.519 5.066 1.00 96.64 9 A 1 ATOM 71 C CG1 . ILE A 1 9 ? -2.615 2.446 5.861 1.00 94.70 9 A 1 ATOM 72 C CG2 . ILE A 1 9 ? -0.635 0.911 6.010 1.00 94.07 9 A 1 ATOM 73 C CD1 . ILE A 1 9 ? -3.567 1.705 6.787 1.00 87.64 9 A 1 ATOM 74 N N . CYS A 1 10 ? -0.204 0.579 2.372 1.00 96.76 10 A 1 ATOM 75 C CA . CYS A 1 10 ? 0.802 -0.222 1.671 1.00 97.04 10 A 1 ATOM 76 C C . CYS A 1 10 ? 1.770 0.664 0.877 1.00 97.40 10 A 1 ATOM 77 O O . CYS A 1 10 ? 2.975 0.424 0.877 1.00 96.80 10 A 1 ATOM 78 C CB . CYS A 1 10 ? 0.117 -1.226 0.740 1.00 96.39 10 A 1 ATOM 79 S SG . CYS A 1 10 ? -0.663 -2.577 1.651 1.00 89.90 10 A 1 ATOM 80 N N . ILE A 1 11 ? 1.247 1.691 0.214 1.00 97.03 11 A 1 ATOM 81 C CA . ILE A 1 11 ? 2.077 2.632 -0.547 1.00 97.00 11 A 1 ATOM 82 C C . ILE A 1 11 ? 3.015 3.401 0.391 1.00 97.36 11 A 1 ATOM 83 O O . ILE A 1 11 ? 4.198 3.578 0.081 1.00 97.15 11 A 1 ATOM 84 C CB . ILE A 1 11 ? 1.197 3.604 -1.360 1.00 96.69 11 A 1 ATOM 85 C CG1 . ILE A 1 11 ? 0.475 2.845 -2.483 1.00 94.90 11 A 1 ATOM 86 C CG2 . ILE A 1 11 ? 2.043 4.736 -1.962 1.00 94.49 11 A 1 ATOM 87 C CD1 . ILE A 1 11 ? -0.624 3.646 -3.147 1.00 89.67 11 A 1 ATOM 88 N N . LEU A 1 12 ? 2.508 3.834 1.541 1.00 97.14 12 A 1 ATOM 89 C CA . LEU A 1 12 ? 3.316 4.562 2.521 1.00 97.17 12 A 1 ATOM 90 C C . LEU A 1 12 ? 4.449 3.691 3.065 1.00 97.48 12 A 1 ATOM 91 O O . LEU A 1 12 ? 5.583 4.158 3.191 1.00 97.31 12 A 1 ATOM 92 C CB . LEU A 1 12 ? 2.427 5.054 3.668 1.00 96.76 12 A 1 ATOM 93 C CG . LEU A 1 12 ? 1.579 6.280 3.329 1.00 91.71 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? 0.554 6.527 4.435 1.00 89.82 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? 2.459 7.516 3.163 1.00 89.45 12 A 1 ATOM 96 N N . ILE A 1 13 ? 4.159 2.421 3.363 1.00 97.44 13 A 1 ATOM 97 C CA . ILE A 1 13 ? 5.165 1.485 3.869 1.00 97.29 13 A 1 ATOM 98 C C . ILE A 1 13 ? 6.258 1.264 2.819 1.00 97.47 13 A 1 ATOM 99 O O . ILE A 1 13 ? 7.452 1.313 3.138 1.00 96.95 13 A 1 ATOM 100 C CB . ILE A 1 13 ? 4.508 0.150 4.278 1.00 96.84 13 A 1 ATOM 101 C CG1 . ILE A 1 13 ? 3.598 0.355 5.502 1.00 95.23 13 A 1 ATOM 102 C CG2 . ILE A 1 13 ? 5.578 -0.903 4.597 1.00 94.83 13 A 1 ATOM 103 C CD1 . ILE A 1 13 ? 2.660 -0.813 5.767 1.00 90.18 13 A 1 ATOM 104 N N . LEU A 1 14 ? 5.862 1.055 1.567 1.00 97.43 14 A 1 ATOM 105 C CA . LEU A 1 14 ? 6.817 0.854 0.477 1.00 97.24 14 A 1 ATOM 106 C C . LEU A 1 14 ? 7.663 2.106 0.249 1.00 97.46 14 A 1 ATOM 107 O O . LEU A 1 14 ? 8.875 2.012 0.033 1.00 96.83 14 A 1 ATOM 108 C CB . LEU A 1 14 ? 6.065 0.473 -0.804 1.00 96.62 14 A 1 ATOM 109 C CG . LEU A 1 14 ? 5.479 -0.941 -0.793 1.00 91.76 14 A 1 ATOM 110 C CD1 . LEU A 1 14 ? 4.513 -1.127 -1.958 1.00 89.89 14 A 1 ATOM 111 C CD2 . LEU A 1 14 ? 6.587 -1.989 -0.872 1.00 89.34 14 A 1 ATOM 112 N N . ALA A 1 15 ? 7.049 3.281 0.310 1.00 97.45 15 A 1 ATOM 113 C CA . ALA A 1 15 ? 7.756 4.549 0.131 1.00 97.31 15 A 1 ATOM 114 C C . ALA A 1 15 ? 8.794 4.766 1.236 1.00 97.28 15 A 1 ATOM 115 O O . ALA A 1 15 ? 9.908 5.217 0.964 1.00 96.42 15 A 1 ATOM 116 C CB . ALA A 1 15 ? 6.753 5.704 0.099 1.00 96.79 15 A 1 ATOM 117 N N . MET A 1 16 ? 8.439 4.442 2.481 1.00 96.76 16 A 1 ATOM 118 C CA . MET A 1 16 ? 9.361 4.568 3.615 1.00 96.46 16 A 1 ATOM 119 C C . MET A 1 16 ? 10.495 3.549 3.520 1.00 96.40 16 A 1 ATOM 120 O O . MET A 1 16 ? 11.640 3.874 3.827 1.00 94.96 16 A 1 ATOM 121 C CB . MET A 1 16 ? 8.608 4.405 4.939 1.00 95.35 16 A 1 ATOM 122 C CG . MET A 1 16 ? 7.720 5.594 5.255 1.00 90.08 16 A 1 ATOM 123 S SD . MET A 1 16 ? 6.971 5.515 6.901 1.00 84.28 16 A 1 ATOM 124 C CE . MET A 1 16 ? 8.353 6.070 7.897 1.00 73.22 16 A 1 ATOM 125 N N . ASP A 1 17 ? 10.184 2.337 3.078 1.00 96.55 17 A 1 ATOM 126 C CA . ASP A 1 17 ? 11.178 1.271 2.930 1.00 96.84 17 A 1 ATOM 127 C C . ASP A 1 17 ? 12.223 1.633 1.869 1.00 97.18 17 A 1 ATOM 128 O O . ASP A 1 17 ? 13.418 1.393 2.053 1.00 96.17 17 A 1 ATOM 129 C CB . ASP A 1 17 ? 10.473 -0.043 2.565 1.00 95.89 17 A 1 ATOM 130 C CG . ASP A 1 17 ? 11.390 -1.248 2.681 1.00 91.36 17 A 1 ATOM 131 O OD1 . ASP A 1 17 ? 12.216 -1.288 3.613 1.00 87.67 17 A 1 ATOM 132 O OD2 . ASP A 1 17 ? 11.272 -2.160 1.844 1.00 86.75 17 A 1 ATOM 133 N N . VAL A 1 18 ? 11.791 2.234 0.762 1.00 97.14 18 A 1 ATOM 134 C CA . VAL A 1 18 ? 12.691 2.663 -0.317 1.00 96.78 18 A 1 ATOM 135 C C . VAL A 1 18 ? 13.503 3.893 0.100 1.00 96.66 18 A 1 ATOM 136 O O . VAL A 1 18 ? 14.655 4.058 -0.319 1.00 95.22 18 A 1 ATOM 137 C CB . VAL A 1 18 ? 11.889 2.940 -1.608 1.00 95.73 18 A 1 ATOM 138 C CG1 . VAL A 1 18 ? 12.767 3.534 -2.705 1.00 90.71 18 A 1 ATOM 139 C CG2 . VAL A 1 18 ? 11.254 1.655 -2.125 1.00 90.51 18 A 1 ATOM 140 N N . SER A 1 19 ? 12.924 4.750 0.921 1.00 94.86 19 A 1 ATOM 141 C CA . SER A 1 19 ? 13.582 5.973 1.389 1.00 94.62 19 A 1 ATOM 142 C C . SER A 1 19 ? 14.599 5.700 2.500 1.00 93.76 19 A 1 ATOM 143 O O . SER A 1 19 ? 15.527 6.489 2.696 1.00 90.62 19 A 1 ATOM 144 C CB . SER A 1 19 ? 12.535 6.972 1.881 1.00 92.61 19 A 1 ATOM 145 O OG . SER A 1 19 ? 13.129 8.220 2.169 1.00 81.26 19 A 1 ATOM 146 N N . ALA A 1 20 ? 14.432 4.597 3.236 1.00 92.98 20 A 1 ATOM 147 C CA . ALA A 1 20 ? 15.302 4.239 4.359 1.00 91.69 20 A 1 ATOM 148 C C . ALA A 1 20 ? 16.565 3.520 3.869 1.00 88.19 20 A 1 ATOM 149 O O . ALA A 1 20 ? 17.648 3.777 4.423 1.00 82.85 20 A 1 ATOM 150 C CB . ALA A 1 20 ? 14.531 3.373 5.361 1.00 86.88 20 A 1 ATOM 151 O OXT . ALA A 1 20 ? 16.476 2.685 2.954 1.00 76.24 20 A 1 #