# 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_spkb42803 # _entry.id spkb42803 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "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" "C5 H9 N O2" 115.130 PRO y PROLINE C1C[C@H](NC1)C(=O)O ? "L-PEPTIDE LINKING" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C11 H12 N2 O2" 204.225 TRP y TRYPTOPHAN c1ccc2c(c1)c(c[nH]2)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 LEU 3 1 n ARG 4 1 n MET 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n LEU 9 1 n LEU 10 1 n LEU 11 1 n LEU 12 1 n TRP 13 1 n CYS 14 1 n SER 15 1 n ASN 16 1 n PRO 17 1 n GLY 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 @ 2025-07-09 17:37:51)" _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 86.99 _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 80.42 1 1 A ALA 2 2 92.27 1 2 A LEU 3 2 91.42 1 3 A ARG 4 2 83.75 1 4 A MET 5 2 88.94 1 5 A LEU 6 2 92.50 1 6 A LEU 7 2 92.38 1 7 A LEU 8 2 90.63 1 8 A LEU 9 2 90.35 1 9 A LEU 10 2 90.70 1 10 A LEU 11 2 92.25 1 11 A LEU 12 2 91.07 1 12 A TRP 13 2 86.45 1 13 A CYS 14 2 91.55 1 14 A SER 15 2 89.69 1 15 A ASN 16 2 81.80 1 16 A PRO 17 2 82.43 1 17 A GLY 18 2 80.86 1 18 A SER 19 2 74.47 1 19 A ALA 20 2 70.38 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 LEU . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n MET . 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 LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n TRP . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n PRO . 17 A 17 A 18 1 n GLY . 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 ? -16.205 2.892 4.700 1.00 88.37 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.959 2.296 5.208 1.00 89.30 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.858 2.355 4.157 1.00 90.61 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.956 1.699 3.126 1.00 86.54 1 A 1 ATOM 5 C CB . MET A 1 1 ? -15.190 0.837 5.605 1.00 82.49 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.885 0.702 6.948 1.00 74.92 1 A 1 ATOM 7 S SD . MET A 1 1 ? -16.081 -1.010 7.430 1.00 70.31 1 A 1 ATOM 8 C CE . MET A 1 1 ? -16.627 -0.801 9.119 1.00 60.83 1 A 1 ATOM 9 N N . ALA A 1 2 ? -12.835 3.140 4.423 1.00 90.75 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -11.697 3.281 3.516 1.00 93.01 2 A 1 ATOM 11 C C . ALA A 1 2 ? -10.379 2.966 4.229 1.00 94.65 2 A 1 ATOM 12 O O . ALA A 1 2 ? -9.306 3.354 3.763 1.00 93.02 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -11.664 4.693 2.943 1.00 89.91 2 A 1 ATOM 14 N N . LEU A 1 3 ? -10.473 2.270 5.352 1.00 95.29 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -9.285 1.924 6.138 1.00 95.35 3 A 1 ATOM 16 C C . LEU A 1 3 ? -8.379 0.962 5.378 1.00 95.87 3 A 1 ATOM 17 O O . LEU A 1 3 ? -7.155 1.100 5.403 1.00 94.93 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -9.709 1.307 7.471 1.00 94.59 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -8.557 1.075 8.444 1.00 88.31 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -7.974 2.401 8.912 1.00 83.64 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -9.041 0.262 9.633 1.00 83.37 3 A 1 ATOM 22 N N . ARG A 1 4 ? -8.991 -0.012 4.705 1.00 94.95 4 A 1 ATOM 23 C CA . ARG A 1 4 ? -8.232 -0.999 3.932 1.00 95.26 4 A 1 ATOM 24 C C . ARG A 1 4 ? -7.456 -0.327 2.805 1.00 95.97 4 A 1 ATOM 25 O O . ARG A 1 4 ? -6.292 -0.641 2.570 1.00 95.26 4 A 1 ATOM 26 C CB . ARG A 1 4 ? -9.181 -2.061 3.364 1.00 94.37 4 A 1 ATOM 27 C CG . ARG A 1 4 ? -8.470 -3.192 2.655 1.00 84.97 4 A 1 ATOM 28 C CD . ARG A 1 4 ? -7.603 -4.006 3.598 1.00 82.02 4 A 1 ATOM 29 N NE . ARG A 1 4 ? -8.404 -4.671 4.637 1.00 75.72 4 A 1 ATOM 30 C CZ . ARG A 1 4 ? -7.894 -5.430 5.598 1.00 71.92 4 A 1 ATOM 31 N NH1 . ARG A 1 4 ? -6.594 -5.635 5.677 1.00 63.64 4 A 1 ATOM 32 N NH2 . ARG A 1 4 ? -8.694 -5.983 6.486 1.00 67.20 4 A 1 ATOM 33 N N . MET A 1 5 ? -8.110 0.600 2.116 1.00 95.39 5 A 1 ATOM 34 C CA . MET A 1 5 ? -7.471 1.334 1.024 1.00 95.09 5 A 1 ATOM 35 C C . MET A 1 5 ? -6.294 2.163 1.537 1.00 95.67 5 A 1 ATOM 36 O O . MET A 1 5 ? -5.228 2.197 0.920 1.00 94.78 5 A 1 ATOM 37 C CB . MET A 1 5 ? -8.488 2.248 0.344 1.00 94.33 5 A 1 ATOM 38 C CG . MET A 1 5 ? -9.586 1.466 -0.367 1.00 87.52 5 A 1 ATOM 39 S SD . MET A 1 5 ? -8.960 0.603 -1.802 1.00 79.09 5 A 1 ATOM 40 C CE . MET A 1 5 ? -10.461 -0.168 -2.388 1.00 69.61 5 A 1 ATOM 41 N N . LEU A 1 6 ? -6.498 2.809 2.665 1.00 95.77 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -5.450 3.623 3.276 1.00 95.41 6 A 1 ATOM 43 C C . LEU A 1 6 ? -4.259 2.766 3.687 1.00 95.92 6 A 1 ATOM 44 O O . LEU A 1 6 ? -3.106 3.154 3.487 1.00 95.73 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -6.013 4.366 4.488 1.00 95.27 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -5.046 5.361 5.122 1.00 89.63 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -4.765 6.526 4.171 1.00 85.52 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -5.613 5.884 6.428 1.00 86.79 6 A 1 ATOM 49 N N . LEU A 1 7 ? -4.542 1.603 4.259 1.00 95.58 7 A 1 ATOM 50 C CA . LEU A 1 7 ? -3.494 0.681 4.692 1.00 95.31 7 A 1 ATOM 51 C C . LEU A 1 7 ? -2.659 0.207 3.507 1.00 95.62 7 A 1 ATOM 52 O O . LEU A 1 7 ? -1.430 0.154 3.586 1.00 95.73 7 A 1 ATOM 53 C CB . LEU A 1 7 ? -4.123 -0.517 5.403 1.00 95.31 7 A 1 ATOM 54 C CG . LEU A 1 7 ? -3.113 -1.476 6.032 1.00 89.11 7 A 1 ATOM 55 C CD1 . LEU A 1 7 ? -2.371 -0.805 7.186 1.00 85.56 7 A 1 ATOM 56 C CD2 . LEU A 1 7 ? -3.817 -2.728 6.526 1.00 86.85 7 A 1 ATOM 57 N N . LEU A 1 8 ? -3.328 -0.132 2.414 1.00 95.18 8 A 1 ATOM 58 C CA . LEU A 1 8 ? -2.641 -0.582 1.205 1.00 94.33 8 A 1 ATOM 59 C C . LEU A 1 8 ? -1.742 0.514 0.644 1.00 94.70 8 A 1 ATOM 60 O O . LEU A 1 8 ? -0.610 0.250 0.227 1.00 94.50 8 A 1 ATOM 61 C CB . LEU A 1 8 ? -3.666 -1.008 0.154 1.00 94.08 8 A 1 ATOM 62 C CG . LEU A 1 8 ? -4.369 -2.325 0.462 1.00 85.59 8 A 1 ATOM 63 C CD1 . LEU A 1 8 ? -5.563 -2.514 -0.461 1.00 82.69 8 A 1 ATOM 64 C CD2 . LEU A 1 8 ? -3.406 -3.500 0.312 1.00 83.98 8 A 1 ATOM 65 N N . LEU A 1 9 ? -2.229 1.733 0.642 1.00 94.91 9 A 1 ATOM 66 C CA . LEU A 1 9 ? -1.455 2.874 0.158 1.00 94.13 9 A 1 ATOM 67 C C . LEU A 1 9 ? -0.224 3.104 1.028 1.00 94.34 9 A 1 ATOM 68 O O . LEU A 1 9 ? 0.859 3.395 0.516 1.00 93.82 9 A 1 ATOM 69 C CB . LEU A 1 9 ? -2.333 4.127 0.147 1.00 93.64 9 A 1 ATOM 70 C CG . LEU A 1 9 ? -3.368 4.157 -0.975 1.00 85.13 9 A 1 ATOM 71 C CD1 . LEU A 1 9 ? -4.383 5.263 -0.726 1.00 82.80 9 A 1 ATOM 72 C CD2 . LEU A 1 9 ? -2.695 4.363 -2.323 1.00 84.04 9 A 1 ATOM 73 N N . LEU A 1 10 ? -0.388 2.961 2.327 1.00 94.67 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 0.714 3.130 3.270 1.00 94.08 10 A 1 ATOM 75 C C . LEU A 1 10 ? 1.800 2.089 3.030 1.00 94.31 10 A 1 ATOM 76 O O . LEU A 1 10 ? 2.989 2.410 3.018 1.00 93.61 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 0.194 3.023 4.702 1.00 93.82 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 1.230 3.363 5.776 1.00 86.97 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 1.591 4.846 5.730 1.00 83.48 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 0.699 2.998 7.151 1.00 84.69 10 A 1 ATOM 81 N N . LEU A 1 11 ? 1.390 0.837 2.833 1.00 95.44 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 2.332 -0.249 2.576 1.00 94.85 11 A 1 ATOM 83 C C . LEU A 1 11 ? 3.085 -0.013 1.274 1.00 94.88 11 A 1 ATOM 84 O O . LEU A 1 11 ? 4.295 -0.243 1.198 1.00 93.86 11 A 1 ATOM 85 C CB . LEU A 1 11 ? 1.583 -1.585 2.514 1.00 94.62 11 A 1 ATOM 86 C CG . LEU A 1 11 ? 1.086 -2.089 3.867 1.00 90.20 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? 0.108 -3.239 3.673 1.00 86.80 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? 2.248 -2.535 4.740 1.00 87.31 11 A 1 ATOM 89 N N . LEU A 1 12 ? 2.384 0.451 0.268 1.00 94.82 12 A 1 ATOM 90 C CA . LEU A 1 12 ? 2.990 0.756 -1.026 1.00 93.88 12 A 1 ATOM 91 C C . LEU A 1 12 ? 4.034 1.855 -0.882 1.00 94.12 12 A 1 ATOM 92 O O . LEU A 1 12 ? 5.113 1.782 -1.468 1.00 93.05 12 A 1 ATOM 93 C CB . LEU A 1 12 ? 1.913 1.179 -2.022 1.00 93.49 12 A 1 ATOM 94 C CG . LEU A 1 12 ? 2.420 1.393 -3.446 1.00 88.86 12 A 1 ATOM 95 C CD1 . LEU A 1 12 ? 2.851 0.073 -4.076 1.00 85.03 12 A 1 ATOM 96 C CD2 . LEU A 1 12 ? 1.344 2.049 -4.290 1.00 85.34 12 A 1 ATOM 97 N N . TRP A 1 13 ? 3.717 2.860 -0.090 1.00 93.27 13 A 1 ATOM 98 C CA . TRP A 1 13 ? 4.627 3.973 0.148 1.00 93.02 13 A 1 ATOM 99 C C . TRP A 1 13 ? 5.901 3.495 0.841 1.00 93.49 13 A 1 ATOM 100 O O . TRP A 1 13 ? 7.006 3.889 0.471 1.00 91.80 13 A 1 ATOM 101 C CB . TRP A 1 13 ? 3.934 5.042 0.988 1.00 91.99 13 A 1 ATOM 102 C CG . TRP A 1 13 ? 4.252 6.429 0.539 1.00 88.79 13 A 1 ATOM 103 C CD1 . TRP A 1 13 ? 3.741 7.060 -0.549 1.00 82.90 13 A 1 ATOM 104 C CD2 . TRP A 1 13 ? 5.163 7.357 1.157 1.00 86.13 13 A 1 ATOM 105 N NE1 . TRP A 1 13 ? 4.279 8.322 -0.648 1.00 82.24 13 A 1 ATOM 106 C CE2 . TRP A 1 13 ? 5.150 8.537 0.381 1.00 85.45 13 A 1 ATOM 107 C CE3 . TRP A 1 13 ? 5.984 7.306 2.284 1.00 81.75 13 A 1 ATOM 108 C CZ2 . TRP A 1 13 ? 5.930 9.649 0.708 1.00 81.97 13 A 1 ATOM 109 C CZ3 . TRP A 1 13 ? 6.762 8.413 2.611 1.00 78.40 13 A 1 ATOM 110 C CH2 . TRP A 1 13 ? 6.729 9.570 1.823 1.00 79.14 13 A 1 ATOM 111 N N . CYS A 1 14 ? 5.750 2.631 1.829 1.00 94.19 14 A 1 ATOM 112 C CA . CYS A 1 14 ? 6.891 2.082 2.554 1.00 93.78 14 A 1 ATOM 113 C C . CYS A 1 14 ? 7.751 1.190 1.664 1.00 93.59 14 A 1 ATOM 114 O O . CYS A 1 14 ? 8.960 1.089 1.865 1.00 90.82 14 A 1 ATOM 115 C CB . CYS A 1 14 ? 6.404 1.286 3.766 1.00 92.10 14 A 1 ATOM 116 S SG . CYS A 1 14 ? 5.734 2.349 5.054 1.00 84.83 14 A 1 ATOM 117 N N . SER A 1 15 ? 7.125 0.537 0.696 1.00 93.91 15 A 1 ATOM 118 C CA . SER A 1 15 ? 7.824 -0.355 -0.225 1.00 93.03 15 A 1 ATOM 119 C C . SER A 1 15 ? 8.439 0.400 -1.400 1.00 92.48 15 A 1 ATOM 120 O O . SER A 1 15 ? 9.060 -0.207 -2.276 1.00 88.29 15 A 1 ATOM 121 C CB . SER A 1 15 ? 6.873 -1.433 -0.741 1.00 90.80 15 A 1 ATOM 122 O OG . SER A 1 15 ? 6.372 -2.207 0.332 1.00 79.60 15 A 1 ATOM 123 N N . ASN A 1 16 ? 8.274 1.709 -1.427 1.00 89.08 16 A 1 ATOM 124 C CA . ASN A 1 16 ? 8.804 2.541 -2.504 1.00 88.22 16 A 1 ATOM 125 C C . ASN A 1 16 ? 9.757 3.611 -1.970 1.00 88.42 16 A 1 ATOM 126 O O . ASN A 1 16 ? 9.441 4.802 -2.008 1.00 84.72 16 A 1 ATOM 127 C CB . ASN A 1 16 ? 7.653 3.185 -3.281 1.00 84.40 16 A 1 ATOM 128 C CG . ASN A 1 16 ? 6.996 2.218 -4.233 1.00 77.01 16 A 1 ATOM 129 O OD1 . ASN A 1 16 ? 6.132 1.449 -3.856 1.00 70.45 16 A 1 ATOM 130 N ND2 . ASN A 1 16 ? 7.409 2.256 -5.488 1.00 72.08 16 A 1 ATOM 131 N N . PRO A 1 17 ? 10.936 3.211 -1.483 1.00 87.46 17 A 1 ATOM 132 C CA . PRO A 1 17 ? 11.933 4.156 -0.973 1.00 85.67 17 A 1 ATOM 133 C C . PRO A 1 17 ? 12.697 4.819 -2.119 1.00 84.82 17 A 1 ATOM 134 O O . PRO A 1 17 ? 13.643 4.247 -2.663 1.00 75.19 17 A 1 ATOM 135 C CB . PRO A 1 17 ? 12.860 3.284 -0.128 1.00 81.63 17 A 1 ATOM 136 C CG . PRO A 1 17 ? 12.768 1.918 -0.726 1.00 79.26 17 A 1 ATOM 137 C CD . PRO A 1 17 ? 11.396 1.812 -1.359 1.00 82.96 17 A 1 ATOM 138 N N . GLY A 1 18 ? 12.302 6.016 -2.479 1.00 84.88 18 A 1 ATOM 139 C CA . GLY A 1 18 ? 12.952 6.743 -3.569 1.00 81.50 18 A 1 ATOM 140 C C . GLY A 1 18 ? 14.196 7.492 -3.122 1.00 81.07 18 A 1 ATOM 141 O O . GLY A 1 18 ? 14.432 8.619 -3.552 1.00 76.01 18 A 1 ATOM 142 N N . SER A 1 19 ? 14.978 6.869 -2.258 1.00 80.76 19 A 1 ATOM 143 C CA . SER A 1 19 ? 16.208 7.466 -1.737 1.00 78.62 19 A 1 ATOM 144 C C . SER A 1 19 ? 17.131 6.392 -1.175 1.00 77.03 19 A 1 ATOM 145 O O . SER A 1 19 ? 16.675 5.334 -0.760 1.00 70.83 19 A 1 ATOM 146 C CB . SER A 1 19 ? 15.883 8.487 -0.650 1.00 74.91 19 A 1 ATOM 147 O OG . SER A 1 19 ? 15.160 9.577 -1.184 1.00 64.65 19 A 1 ATOM 148 N N . ALA A 1 20 ? 18.436 6.683 -1.160 1.00 78.73 20 A 1 ATOM 149 C CA . ALA A 1 20 ? 19.437 5.752 -0.627 1.00 76.29 20 A 1 ATOM 150 C C . ALA A 1 20 ? 19.414 4.413 -1.371 1.00 73.19 20 A 1 ATOM 151 O O . ALA A 1 20 ? 18.660 3.515 -0.994 1.00 66.20 20 A 1 ATOM 152 C CB . ALA A 1 20 ? 19.232 5.539 0.861 1.00 67.89 20 A 1 ATOM 153 O OXT . ALA A 1 20 ? 20.178 4.276 -2.362 1.00 59.96 20 A 1 #