# 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_spkb16582 # _entry.id spkb16582 # 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" "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 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" "C6 H15 N2 O2" 147.195 LYS y LYSINE C(CC[NH3+])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" "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 LYS 2 1 n VAL 3 1 n LEU 4 1 n VAL 5 1 n ILE 6 1 n CYS 7 1 n ALA 8 1 n VAL 9 1 n LEU 10 1 n PHE 11 1 n LEU 12 1 n THR 13 1 n ILE 14 1 n PHE 15 1 n SER 16 1 n ASN 17 1 n SER 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 @ 2025-07-08 14:12:53)" _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 93.34 _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 87.85 1 1 A LYS 2 2 88.53 1 2 A VAL 3 2 94.94 1 3 A LEU 4 2 94.07 1 4 A VAL 5 2 97.21 1 5 A ILE 6 2 96.72 1 6 A CYS 7 2 96.78 1 7 A ALA 8 2 97.82 1 8 A VAL 9 2 97.34 1 9 A LEU 10 2 94.57 1 10 A PHE 11 2 94.06 1 11 A LEU 12 2 93.94 1 12 A THR 13 2 95.70 1 13 A ILE 14 2 95.86 1 14 A PHE 15 2 93.72 1 15 A SER 16 2 95.54 1 16 A ASN 17 2 90.32 1 17 A SER 18 2 92.18 1 18 A SER 19 2 88.16 1 19 A ALA 20 2 81.78 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 LYS . 2 A 2 A 3 1 n VAL . 3 A 3 A 4 1 n LEU . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n THR . 13 A 13 A 14 1 n ILE . 14 A 14 A 15 1 n PHE . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n SER . 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 ? -14.165 -1.354 6.331 1.00 94.64 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.099 -0.346 6.159 1.00 95.46 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.272 -0.639 4.911 1.00 95.91 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.363 -1.464 4.942 1.00 93.07 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.175 -0.348 7.370 1.00 91.86 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.884 0.071 8.642 1.00 83.54 1 A 1 ATOM 7 S SD . MET A 1 1 ? -11.799 0.023 10.073 1.00 78.89 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.900 0.642 11.334 1.00 69.47 1 A 1 ATOM 9 N N . LYS A 1 2 ? -12.612 0.027 3.822 1.00 97.08 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.898 -0.171 2.561 1.00 96.98 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.784 0.860 2.398 1.00 96.91 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.717 0.559 1.869 1.00 95.92 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -12.880 -0.069 1.392 1.00 95.89 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -14.010 -1.081 1.483 1.00 87.24 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -14.949 -0.958 0.299 1.00 82.88 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -16.165 -1.849 0.472 1.00 75.94 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -15.794 -3.280 0.598 1.00 67.89 2 A 1 ATOM 18 N N . VAL A 1 3 ? -11.044 2.063 2.851 1.00 97.11 3 A 1 ATOM 19 C CA . VAL A 1 3 ? -10.058 3.140 2.758 1.00 97.49 3 A 1 ATOM 20 C C . VAL A 1 3 ? -8.786 2.787 3.525 1.00 97.87 3 A 1 ATOM 21 O O . VAL A 1 3 ? -7.675 3.110 3.102 1.00 97.06 3 A 1 ATOM 22 C CB . VAL A 1 3 ? -10.634 4.458 3.296 1.00 96.16 3 A 1 ATOM 23 C CG1 . VAL A 1 3 ? -9.609 5.575 3.170 1.00 88.86 3 A 1 ATOM 24 C CG2 . VAL A 1 3 ? -11.910 4.820 2.558 1.00 90.01 3 A 1 ATOM 25 N N . LEU A 1 4 ? -8.966 2.125 4.646 1.00 97.66 4 A 1 ATOM 26 C CA . LEU A 1 4 ? -7.833 1.724 5.478 1.00 97.90 4 A 1 ATOM 27 C C . LEU A 1 4 ? -6.906 0.781 4.720 1.00 98.07 4 A 1 ATOM 28 O O . LEU A 1 4 ? -5.684 0.900 4.780 1.00 97.93 4 A 1 ATOM 29 C CB . LEU A 1 4 ? -8.337 1.049 6.763 1.00 97.65 4 A 1 ATOM 30 C CG . LEU A 1 4 ? -7.921 1.773 8.043 1.00 90.22 4 A 1 ATOM 31 C CD1 . LEU A 1 4 ? -6.404 1.782 8.168 1.00 86.16 4 A 1 ATOM 32 C CD2 . LEU A 1 4 ? -8.462 3.194 8.036 1.00 87.00 4 A 1 ATOM 33 N N . VAL A 1 5 ? -7.505 -0.157 4.006 1.00 98.23 5 A 1 ATOM 34 C CA . VAL A 1 5 ? -6.731 -1.125 3.225 1.00 98.21 5 A 1 ATOM 35 C C . VAL A 1 5 ? -5.946 -0.411 2.127 1.00 98.25 5 A 1 ATOM 36 O O . VAL A 1 5 ? -4.756 -0.667 1.923 1.00 97.97 5 A 1 ATOM 37 C CB . VAL A 1 5 ? -7.651 -2.187 2.599 1.00 97.82 5 A 1 ATOM 38 C CG1 . VAL A 1 5 ? -6.837 -3.186 1.789 1.00 95.00 5 A 1 ATOM 39 C CG2 . VAL A 1 5 ? -8.441 -2.906 3.683 1.00 94.98 5 A 1 ATOM 40 N N . ILE A 1 6 ? -6.618 0.472 1.429 1.00 98.26 6 A 1 ATOM 41 C CA . ILE A 1 6 ? -5.983 1.227 0.349 1.00 98.03 6 A 1 ATOM 42 C C . ILE A 1 6 ? -4.872 2.109 0.910 1.00 98.06 6 A 1 ATOM 43 O O . ILE A 1 6 ? -3.786 2.214 0.330 1.00 97.92 6 A 1 ATOM 44 C CB . ILE A 1 6 ? -7.023 2.093 -0.386 1.00 97.90 6 A 1 ATOM 45 C CG1 . ILE A 1 6 ? -8.112 1.209 -0.998 1.00 96.27 6 A 1 ATOM 46 C CG2 . ILE A 1 6 ? -6.337 2.923 -1.474 1.00 95.69 6 A 1 ATOM 47 C CD1 . ILE A 1 6 ? -9.304 2.001 -1.501 1.00 91.64 6 A 1 ATOM 48 N N . CYS A 1 7 ? -5.150 2.727 2.026 1.00 98.08 7 A 1 ATOM 49 C CA . CYS A 1 7 ? -4.174 3.596 2.673 1.00 97.96 7 A 1 ATOM 50 C C . CYS A 1 7 ? -2.928 2.808 3.075 1.00 98.09 7 A 1 ATOM 51 O O . CYS A 1 7 ? -1.803 3.278 2.918 1.00 97.79 7 A 1 ATOM 52 C CB . CYS A 1 7 ? -4.801 4.251 3.905 1.00 97.36 7 A 1 ATOM 53 S SG . CYS A 1 7 ? -3.710 5.470 4.651 1.00 91.37 7 A 1 ATOM 54 N N . ALA A 1 8 ? -3.144 1.609 3.590 1.00 97.86 8 A 1 ATOM 55 C CA . ALA A 1 8 ? -2.038 0.753 4.010 1.00 97.90 8 A 1 ATOM 56 C C . ALA A 1 8 ? -1.154 0.382 2.824 1.00 98.09 8 A 1 ATOM 57 O O . ALA A 1 8 ? 0.074 0.455 2.904 1.00 97.70 8 A 1 ATOM 58 C CB . ALA A 1 8 ? -2.586 -0.509 4.668 1.00 97.56 8 A 1 ATOM 59 N N . VAL A 1 9 ? -1.780 -0.016 1.730 1.00 98.24 9 A 1 ATOM 60 C CA . VAL A 1 9 ? -1.044 -0.390 0.524 1.00 98.12 9 A 1 ATOM 61 C C . VAL A 1 9 ? -0.285 0.812 -0.027 1.00 98.20 9 A 1 ATOM 62 O O . VAL A 1 9 ? 0.881 0.704 -0.417 1.00 97.91 9 A 1 ATOM 63 C CB . VAL A 1 9 ? -1.997 -0.937 -0.552 1.00 97.78 9 A 1 ATOM 64 C CG1 . VAL A 1 9 ? -1.234 -1.254 -1.833 1.00 95.64 9 A 1 ATOM 65 C CG2 . VAL A 1 9 ? -2.707 -2.181 -0.040 1.00 95.50 9 A 1 ATOM 66 N N . LEU A 1 10 ? -0.948 1.942 -0.054 1.00 97.98 10 A 1 ATOM 67 C CA . LEU A 1 10 ? -0.338 3.171 -0.548 1.00 97.76 10 A 1 ATOM 68 C C . LEU A 1 10 ? 0.868 3.553 0.306 1.00 97.88 10 A 1 ATOM 69 O O . LEU A 1 10 ? 1.931 3.892 -0.213 1.00 97.75 10 A 1 ATOM 70 C CB . LEU A 1 10 ? -1.364 4.305 -0.530 1.00 97.54 10 A 1 ATOM 71 C CG . LEU A 1 10 ? -0.841 5.622 -1.100 1.00 91.25 10 A 1 ATOM 72 C CD1 . LEU A 1 10 ? -0.584 5.486 -2.597 1.00 87.09 10 A 1 ATOM 73 C CD2 . LEU A 1 10 ? -1.827 6.742 -0.833 1.00 89.29 10 A 1 ATOM 74 N N . PHE A 1 11 ? 0.694 3.491 1.607 1.00 97.74 11 A 1 ATOM 75 C CA . PHE A 1 11 ? 1.767 3.821 2.537 1.00 97.56 11 A 1 ATOM 76 C C . PHE A 1 11 ? 2.957 2.894 2.344 1.00 97.64 11 A 1 ATOM 77 O O . PHE A 1 11 ? 4.108 3.335 2.321 1.00 97.30 11 A 1 ATOM 78 C CB . PHE A 1 11 ? 1.255 3.716 3.971 1.00 97.10 11 A 1 ATOM 79 C CG . PHE A 1 11 ? 2.327 4.007 4.988 1.00 94.38 11 A 1 ATOM 80 C CD1 . PHE A 1 11 ? 2.723 5.309 5.241 1.00 90.83 11 A 1 ATOM 81 C CD2 . PHE A 1 11 ? 2.935 2.968 5.670 1.00 91.35 11 A 1 ATOM 82 C CE1 . PHE A 1 11 ? 3.713 5.581 6.169 1.00 89.96 11 A 1 ATOM 83 C CE2 . PHE A 1 11 ? 3.935 3.235 6.600 1.00 90.27 11 A 1 ATOM 84 C CZ . PHE A 1 11 ? 4.321 4.540 6.850 1.00 90.50 11 A 1 ATOM 85 N N . LEU A 1 12 ? 2.672 1.609 2.207 1.00 98.08 12 A 1 ATOM 86 C CA . LEU A 1 12 ? 3.725 0.618 2.011 1.00 97.85 12 A 1 ATOM 87 C C . LEU A 1 12 ? 4.492 0.889 0.723 1.00 97.92 12 A 1 ATOM 88 O O . LEU A 1 12 ? 5.721 0.804 0.694 1.00 97.53 12 A 1 ATOM 89 C CB . LEU A 1 12 ? 3.116 -0.784 1.964 1.00 97.48 12 A 1 ATOM 90 C CG . LEU A 1 12 ? 4.146 -1.906 1.861 1.00 90.41 12 A 1 ATOM 91 C CD1 . LEU A 1 12 ? 4.993 -1.961 3.125 1.00 85.05 12 A 1 ATOM 92 C CD2 . LEU A 1 12 ? 3.451 -3.240 1.637 1.00 87.21 12 A 1 ATOM 93 N N . THR A 1 13 ? 3.769 1.217 -0.328 1.00 98.02 13 A 1 ATOM 94 C CA . THR A 1 13 ? 4.383 1.494 -1.622 1.00 97.78 13 A 1 ATOM 95 C C . THR A 1 13 ? 5.290 2.719 -1.543 1.00 97.80 13 A 1 ATOM 96 O O . THR A 1 13 ? 6.433 2.692 -2.005 1.00 97.09 13 A 1 ATOM 97 C CB . THR A 1 13 ? 3.306 1.732 -2.687 1.00 97.24 13 A 1 ATOM 98 O OG1 . THR A 1 13 ? 2.426 0.616 -2.739 1.00 91.52 13 A 1 ATOM 99 C CG2 . THR A 1 13 ? 3.948 1.918 -4.056 1.00 90.46 13 A 1 ATOM 100 N N . ILE A 1 14 ? 4.784 3.780 -0.956 1.00 98.09 14 A 1 ATOM 101 C CA . ILE A 1 14 ? 5.552 5.016 -0.824 1.00 97.63 14 A 1 ATOM 102 C C . ILE A 1 14 ? 6.761 4.803 0.076 1.00 97.48 14 A 1 ATOM 103 O O . ILE A 1 14 ? 7.870 5.244 -0.234 1.00 97.11 14 A 1 ATOM 104 C CB . ILE A 1 14 ? 4.677 6.143 -0.253 1.00 97.19 14 A 1 ATOM 105 C CG1 . ILE A 1 14 ? 3.519 6.449 -1.202 1.00 95.05 14 A 1 ATOM 106 C CG2 . ILE A 1 14 ? 5.524 7.395 -0.029 1.00 94.21 14 A 1 ATOM 107 C CD1 . ILE A 1 14 ? 2.468 7.342 -0.577 1.00 90.12 14 A 1 ATOM 108 N N . PHE A 1 15 ? 6.538 4.123 1.186 1.00 97.74 15 A 1 ATOM 109 C CA . PHE A 1 15 ? 7.613 3.859 2.133 1.00 97.24 15 A 1 ATOM 110 C C . PHE A 1 15 ? 8.706 3.021 1.488 1.00 97.18 15 A 1 ATOM 111 O O . PHE A 1 15 ? 9.893 3.316 1.631 1.00 96.67 15 A 1 ATOM 112 C CB . PHE A 1 15 ? 7.059 3.135 3.358 1.00 96.72 15 A 1 ATOM 113 C CG . PHE A 1 15 ? 8.109 2.908 4.409 1.00 94.12 15 A 1 ATOM 114 C CD1 . PHE A 1 15 ? 8.519 3.942 5.232 1.00 90.50 15 A 1 ATOM 115 C CD2 . PHE A 1 15 ? 8.693 1.659 4.555 1.00 90.93 15 A 1 ATOM 116 C CE1 . PHE A 1 15 ? 9.491 3.740 6.193 1.00 89.56 15 A 1 ATOM 117 C CE2 . PHE A 1 15 ? 9.675 1.452 5.517 1.00 90.38 15 A 1 ATOM 118 C CZ . PHE A 1 15 ? 10.069 2.494 6.334 1.00 89.87 15 A 1 ATOM 119 N N . SER A 1 16 ? 8.298 1.986 0.770 1.00 97.92 16 A 1 ATOM 120 C CA . SER A 1 16 ? 9.248 1.105 0.100 1.00 97.59 16 A 1 ATOM 121 C C . SER A 1 16 ? 10.031 1.865 -0.964 1.00 97.20 16 A 1 ATOM 122 O O . SER A 1 16 ? 11.244 1.700 -1.094 1.00 95.89 16 A 1 ATOM 123 C CB . SER A 1 16 ? 8.516 -0.073 -0.542 1.00 96.84 16 A 1 ATOM 124 O OG . SER A 1 16 ? 9.446 -0.952 -1.137 1.00 87.82 16 A 1 ATOM 125 N N . ASN A 1 17 ? 9.338 2.696 -1.712 1.00 96.69 17 A 1 ATOM 126 C CA . ASN A 1 17 ? 9.968 3.484 -2.768 1.00 95.84 17 A 1 ATOM 127 C C . ASN A 1 17 ? 10.954 4.489 -2.190 1.00 95.34 17 A 1 ATOM 128 O O . ASN A 1 17 ? 12.058 4.667 -2.706 1.00 94.55 17 A 1 ATOM 129 C CB . ASN A 1 17 ? 8.898 4.214 -3.579 1.00 94.54 17 A 1 ATOM 130 C CG . ASN A 1 17 ? 9.469 4.771 -4.865 1.00 86.69 17 A 1 ATOM 131 O OD1 . ASN A 1 17 ? 10.595 5.234 -4.923 1.00 80.06 17 A 1 ATOM 132 N ND2 . ASN A 1 17 ? 8.681 4.734 -5.931 1.00 78.82 17 A 1 ATOM 133 N N . SER A 1 18 ? 10.552 5.137 -1.121 1.00 96.27 18 A 1 ATOM 134 C CA . SER A 1 18 ? 11.397 6.134 -0.471 1.00 95.71 18 A 1 ATOM 135 C C . SER A 1 18 ? 12.614 5.491 0.182 1.00 95.01 18 A 1 ATOM 136 O O . SER A 1 18 ? 13.721 6.023 0.114 1.00 92.14 18 A 1 ATOM 137 C CB . SER A 1 18 ? 10.603 6.900 0.582 1.00 93.85 18 A 1 ATOM 138 O OG . SER A 1 18 ? 11.407 7.904 1.158 1.00 80.10 18 A 1 ATOM 139 N N . SER A 1 19 ? 12.400 4.353 0.821 1.00 93.08 19 A 1 ATOM 140 C CA . SER A 1 19 ? 13.481 3.633 1.493 1.00 92.35 19 A 1 ATOM 141 C C . SER A 1 19 ? 14.437 2.996 0.496 1.00 90.17 19 A 1 ATOM 142 O O . SER A 1 19 ? 15.642 2.924 0.729 1.00 86.26 19 A 1 ATOM 143 C CB . SER A 1 19 ? 12.908 2.558 2.413 1.00 89.72 19 A 1 ATOM 144 O OG . SER A 1 19 ? 12.167 3.151 3.458 1.00 77.37 19 A 1 ATOM 145 N N . ALA A 1 20 ? 13.892 2.521 -0.609 1.00 89.95 20 A 1 ATOM 146 C CA . ALA A 1 20 ? 14.679 1.862 -1.634 1.00 87.93 20 A 1 ATOM 147 C C . ALA A 1 20 ? 15.391 2.878 -2.531 1.00 82.72 20 A 1 ATOM 148 O O . ALA A 1 20 ? 14.868 3.985 -2.717 1.00 77.45 20 A 1 ATOM 149 C CB . ALA A 1 20 ? 13.795 0.944 -2.466 1.00 81.87 20 A 1 ATOM 150 O OXT . ALA A 1 20 ? 16.463 2.537 -3.074 1.00 70.78 20 A 1 #