# 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_spkb21724 # _entry.id spkb21724 # 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" "C4 H7 N O4" 133.103 ASP y "ASPARTIC ACID" C([C@@H](C(=O)O)N)C(=O)O ? "L-PEPTIDE LINKING" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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" "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" "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" "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 ASP 2 1 n LEU 3 1 n TRP 4 1 n GLN 5 1 n LEU 6 1 n LEU 7 1 n LEU 8 1 n THR 9 1 n LEU 10 1 n ALA 11 1 n VAL 12 1 n VAL 13 1 n GLY 14 1 n SER 15 1 n SER 16 1 n ASN 17 1 n ALA 18 # _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 @ 2025-07-10 02:11:01)" _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 87.69 _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 78.32 1 1 A ASP 2 2 86.43 1 2 A LEU 3 2 92.18 1 3 A TRP 4 2 90.50 1 4 A GLN 5 2 89.47 1 5 A LEU 6 2 91.58 1 6 A LEU 7 2 91.92 1 7 A LEU 8 2 91.47 1 8 A THR 9 2 91.38 1 9 A LEU 10 2 90.58 1 10 A ALA 11 2 93.10 1 11 A VAL 12 2 92.04 1 12 A VAL 13 2 89.51 1 13 A GLY 14 2 89.42 1 14 A SER 15 2 84.91 1 15 A SER 16 2 83.12 1 16 A ASN 17 2 76.82 1 17 A ALA 18 2 71.56 1 18 # _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 ASP . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n TRP . 4 A 4 A 5 1 n GLN . 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 THR . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n GLY . 14 A 14 A 15 1 n SER . 15 A 15 A 16 1 n SER . 16 A 16 A 17 1 n ASN . 17 A 17 A 18 1 n ALA . 18 A 18 # _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 ? -9.478 -3.707 -3.563 1.00 85.74 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.494 -2.932 -2.780 1.00 88.42 1 A 1 ATOM 3 C C . MET A 1 1 ? -9.153 -1.758 -2.075 1.00 89.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -9.865 -0.976 -2.702 1.00 85.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.380 -2.407 -3.689 1.00 79.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.018 -2.973 -3.340 1.00 71.98 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.792 -2.596 -4.596 1.00 67.14 1 A 1 ATOM 8 C CE . MET A 1 1 ? -3.341 -3.347 -3.865 1.00 58.55 1 A 1 ATOM 9 N N . ASP A 1 2 ? -8.932 -1.646 -0.798 1.00 87.77 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -9.517 -0.571 -0.008 1.00 93.50 2 A 1 ATOM 11 C C . ASP A 1 2 ? -8.687 0.707 -0.128 1.00 95.48 2 A 1 ATOM 12 O O . ASP A 1 2 ? -7.479 0.658 -0.365 1.00 93.84 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -9.608 -0.989 1.458 1.00 89.08 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -10.684 -0.218 2.199 1.00 79.80 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -11.528 0.407 1.537 1.00 76.88 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -10.672 -0.256 3.442 1.00 75.07 2 A 1 ATOM 17 N N . LEU A 1 3 ? -9.354 1.835 0.033 1.00 95.79 3 A 1 ATOM 18 C CA . LEU A 1 3 ? -8.676 3.132 -0.047 1.00 96.28 3 A 1 ATOM 19 C C . LEU A 1 3 ? -7.601 3.248 1.031 1.00 96.80 3 A 1 ATOM 20 O O . LEU A 1 3 ? -6.510 3.766 0.798 1.00 96.47 3 A 1 ATOM 21 C CB . LEU A 1 3 ? -9.704 4.259 0.113 1.00 95.36 3 A 1 ATOM 22 C CG . LEU A 1 3 ? -9.698 5.288 -1.017 1.00 88.47 3 A 1 ATOM 23 C CD1 . LEU A 1 3 ? -8.349 5.955 -1.149 1.00 84.60 3 A 1 ATOM 24 C CD2 . LEU A 1 3 ? -10.099 4.623 -2.327 1.00 83.64 3 A 1 ATOM 25 N N . TRP A 1 4 ? -7.942 2.756 2.222 1.00 94.48 4 A 1 ATOM 26 C CA . TRP A 1 4 ? -7.011 2.798 3.351 1.00 94.86 4 A 1 ATOM 27 C C . TRP A 1 4 ? -5.779 1.944 3.083 1.00 95.99 4 A 1 ATOM 28 O O . TRP A 1 4 ? -4.662 2.315 3.440 1.00 95.55 4 A 1 ATOM 29 C CB . TRP A 1 4 ? -7.716 2.314 4.617 1.00 93.81 4 A 1 ATOM 30 C CG . TRP A 1 4 ? -6.985 2.718 5.848 1.00 92.39 4 A 1 ATOM 31 C CD1 . TRP A 1 4 ? -6.229 1.909 6.640 1.00 88.55 4 A 1 ATOM 32 C CD2 . TRP A 1 4 ? -6.916 4.033 6.428 1.00 90.15 4 A 1 ATOM 33 N NE1 . TRP A 1 4 ? -5.698 2.642 7.675 1.00 88.27 4 A 1 ATOM 34 C CE2 . TRP A 1 4 ? -6.096 3.947 7.578 1.00 89.75 4 A 1 ATOM 35 C CE3 . TRP A 1 4 ? -7.470 5.274 6.086 1.00 87.83 4 A 1 ATOM 36 C CZ2 . TRP A 1 4 ? -5.831 5.066 8.374 1.00 87.96 4 A 1 ATOM 37 C CZ3 . TRP A 1 4 ? -7.201 6.380 6.884 1.00 83.93 4 A 1 ATOM 38 C CH2 . TRP A 1 4 ? -6.387 6.274 8.015 1.00 83.52 4 A 1 ATOM 39 N N . GLN A 1 5 ? -5.987 0.790 2.449 1.00 94.85 5 A 1 ATOM 40 C CA . GLN A 1 5 ? -4.882 -0.111 2.122 1.00 95.60 5 A 1 ATOM 41 C C . GLN A 1 5 ? -3.894 0.569 1.179 1.00 96.10 5 A 1 ATOM 42 O O . GLN A 1 5 ? -2.681 0.428 1.325 1.00 94.77 5 A 1 ATOM 43 C CB . GLN A 1 5 ? -5.419 -1.388 1.475 1.00 94.91 5 A 1 ATOM 44 C CG . GLN A 1 5 ? -5.793 -2.441 2.502 1.00 88.29 5 A 1 ATOM 45 C CD . GLN A 1 5 ? -6.057 -3.785 1.851 1.00 84.62 5 A 1 ATOM 46 O OE1 . GLN A 1 5 ? -6.393 -3.856 0.670 1.00 78.77 5 A 1 ATOM 47 N NE2 . GLN A 1 5 ? -5.902 -4.861 2.595 1.00 77.34 5 A 1 ATOM 48 N N . LEU A 1 6 ? -4.422 1.293 0.221 1.00 95.37 6 A 1 ATOM 49 C CA . LEU A 1 6 ? -3.586 2.014 -0.734 1.00 95.07 6 A 1 ATOM 50 C C . LEU A 1 6 ? -2.748 3.074 -0.021 1.00 95.33 6 A 1 ATOM 51 O O . LEU A 1 6 ? -1.561 3.238 -0.301 1.00 94.57 6 A 1 ATOM 52 C CB . LEU A 1 6 ? -4.460 2.672 -1.805 1.00 94.46 6 A 1 ATOM 53 C CG . LEU A 1 6 ? -3.897 2.547 -3.217 1.00 88.13 6 A 1 ATOM 54 C CD1 . LEU A 1 6 ? -4.307 1.212 -3.835 1.00 85.09 6 A 1 ATOM 55 C CD2 . LEU A 1 6 ? -4.374 3.689 -4.088 1.00 84.66 6 A 1 ATOM 56 N N . LEU A 1 7 ? -3.391 3.776 0.884 1.00 95.38 7 A 1 ATOM 57 C CA . LEU A 1 7 ? -2.713 4.824 1.653 1.00 95.15 7 A 1 ATOM 58 C C . LEU A 1 7 ? -1.574 4.242 2.482 1.00 95.29 7 A 1 ATOM 59 O O . LEU A 1 7 ? -0.477 4.804 2.531 1.00 94.98 7 A 1 ATOM 60 C CB . LEU A 1 7 ? -3.723 5.529 2.562 1.00 94.56 7 A 1 ATOM 61 C CG . LEU A 1 7 ? -3.180 6.780 3.246 1.00 88.36 7 A 1 ATOM 62 C CD1 . LEU A 1 7 ? -4.095 7.972 2.992 1.00 86.18 7 A 1 ATOM 63 C CD2 . LEU A 1 7 ? -3.043 6.547 4.742 1.00 85.46 7 A 1 ATOM 64 N N . LEU A 1 8 ? -1.844 3.106 3.130 1.00 94.56 8 A 1 ATOM 65 C CA . LEU A 1 8 ? -0.839 2.440 3.955 1.00 94.32 8 A 1 ATOM 66 C C . LEU A 1 8 ? 0.332 1.963 3.105 1.00 94.06 8 A 1 ATOM 67 O O . LEU A 1 8 ? 1.494 2.148 3.460 1.00 93.04 8 A 1 ATOM 68 C CB . LEU A 1 8 ? -1.471 1.250 4.685 1.00 93.91 8 A 1 ATOM 69 C CG . LEU A 1 8 ? -1.173 1.217 6.183 1.00 88.71 8 A 1 ATOM 70 C CD1 . LEU A 1 8 ? -2.069 2.205 6.923 1.00 86.69 8 A 1 ATOM 71 C CD2 . LEU A 1 8 ? -1.377 -0.185 6.730 1.00 86.44 8 A 1 ATOM 72 N N . THR A 1 9 ? 0.010 1.346 1.981 1.00 94.23 9 A 1 ATOM 73 C CA . THR A 1 9 ? 1.033 0.836 1.068 1.00 93.96 9 A 1 ATOM 74 C C . THR A 1 9 ? 1.906 1.975 0.546 1.00 94.02 9 A 1 ATOM 75 O O . THR A 1 9 ? 3.129 1.848 0.463 1.00 92.61 9 A 1 ATOM 76 C CB . THR A 1 9 ? 0.385 0.108 -0.115 1.00 93.01 9 A 1 ATOM 77 O OG1 . THR A 1 9 ? -0.455 -0.934 0.366 1.00 86.96 9 A 1 ATOM 78 C CG2 . THR A 1 9 ? 1.443 -0.507 -1.018 1.00 84.89 9 A 1 ATOM 79 N N . LEU A 1 10 ? 1.274 3.071 0.194 1.00 94.10 10 A 1 ATOM 80 C CA . LEU A 1 10 ? 1.990 4.235 -0.320 1.00 93.40 10 A 1 ATOM 81 C C . LEU A 1 10 ? 2.976 4.764 0.719 1.00 93.03 10 A 1 ATOM 82 O O . LEU A 1 10 ? 4.118 5.093 0.405 1.00 91.41 10 A 1 ATOM 83 C CB . LEU A 1 10 ? 0.990 5.332 -0.710 1.00 92.54 10 A 1 ATOM 84 C CG . LEU A 1 10 ? 1.075 5.791 -2.164 1.00 88.26 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? 2.425 6.401 -2.465 1.00 86.37 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? 0.795 4.617 -3.089 1.00 85.50 10 A 1 ATOM 87 N N . ALA A 1 11 ? 2.509 4.848 1.960 1.00 94.44 11 A 1 ATOM 88 C CA . ALA A 1 11 ? 3.344 5.336 3.054 1.00 94.04 11 A 1 ATOM 89 C C . ALA A 1 11 ? 4.535 4.414 3.295 1.00 93.53 11 A 1 ATOM 90 O O . ALA A 1 11 ? 5.653 4.879 3.514 1.00 90.31 11 A 1 ATOM 91 C CB . ALA A 1 11 ? 2.510 5.458 4.326 1.00 93.18 11 A 1 ATOM 92 N N . VAL A 1 12 ? 4.291 3.108 3.258 1.00 94.44 12 A 1 ATOM 93 C CA . VAL A 1 12 ? 5.348 2.121 3.476 1.00 93.82 12 A 1 ATOM 94 C C . VAL A 1 12 ? 6.389 2.188 2.365 1.00 93.13 12 A 1 ATOM 95 O O . VAL A 1 12 ? 7.593 2.167 2.630 1.00 90.34 12 A 1 ATOM 96 C CB . VAL A 1 12 ? 4.759 0.703 3.555 1.00 92.61 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? 5.867 -0.341 3.602 1.00 89.57 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? 3.870 0.565 4.779 1.00 90.39 12 A 1 ATOM 99 N N . VAL A 1 13 ? 5.930 2.254 1.135 1.00 93.36 13 A 1 ATOM 100 C CA . VAL A 1 13 ? 6.828 2.316 -0.018 1.00 92.34 13 A 1 ATOM 101 C C . VAL A 1 13 ? 7.669 3.588 0.012 1.00 91.78 13 A 1 ATOM 102 O O . VAL A 1 13 ? 8.872 3.561 -0.268 1.00 87.88 13 A 1 ATOM 103 C CB . VAL A 1 13 ? 6.031 2.244 -1.332 1.00 90.34 13 A 1 ATOM 104 C CG1 . VAL A 1 13 ? 6.943 2.470 -2.529 1.00 84.40 13 A 1 ATOM 105 C CG2 . VAL A 1 13 ? 5.339 0.896 -1.459 1.00 86.45 13 A 1 ATOM 106 N N . GLY A 1 14 ? 7.034 4.688 0.347 1.00 90.80 14 A 1 ATOM 107 C CA . GLY A 1 14 ? 7.730 5.968 0.410 1.00 89.83 14 A 1 ATOM 108 C C . GLY A 1 14 ? 8.694 6.051 1.580 1.00 90.03 14 A 1 ATOM 109 O O . GLY A 1 14 ? 9.713 6.738 1.508 1.00 87.01 14 A 1 ATOM 110 N N . SER A 1 15 ? 8.382 5.348 2.658 1.00 89.33 15 A 1 ATOM 111 C CA . SER A 1 15 ? 9.217 5.338 3.856 1.00 88.70 15 A 1 ATOM 112 C C . SER A 1 15 ? 10.188 4.159 3.862 1.00 88.58 15 A 1 ATOM 113 O O . SER A 1 15 ? 10.922 3.953 4.826 1.00 83.09 15 A 1 ATOM 114 C CB . SER A 1 15 ? 8.342 5.288 5.110 1.00 85.20 15 A 1 ATOM 115 O OG . SER A 1 15 ? 9.071 5.670 6.251 1.00 74.55 15 A 1 ATOM 116 N N . SER A 1 16 ? 10.197 3.396 2.783 1.00 86.59 16 A 1 ATOM 117 C CA . SER A 1 16 ? 11.064 2.225 2.669 1.00 85.91 16 A 1 ATOM 118 C C . SER A 1 16 ? 12.537 2.633 2.650 1.00 86.35 16 A 1 ATOM 119 O O . SER A 1 16 ? 12.873 3.784 2.370 1.00 81.30 16 A 1 ATOM 120 C CB . SER A 1 16 ? 10.726 1.436 1.407 1.00 82.66 16 A 1 ATOM 121 O OG . SER A 1 16 ? 10.110 0.212 1.727 1.00 75.93 16 A 1 ATOM 122 N N . ASN A 1 17 ? 13.402 1.674 2.971 1.00 83.16 17 A 1 ATOM 123 C CA . ASN A 1 17 ? 14.842 1.926 2.992 1.00 82.79 17 A 1 ATOM 124 C C . ASN A 1 17 ? 15.532 1.229 1.822 1.00 82.85 17 A 1 ATOM 125 O O . ASN A 1 17 ? 16.658 0.742 1.942 1.00 76.57 17 A 1 ATOM 126 C CB . ASN A 1 17 ? 15.436 1.439 4.314 1.00 78.65 17 A 1 ATOM 127 C CG . ASN A 1 17 ? 16.790 2.071 4.582 1.00 73.89 17 A 1 ATOM 128 O OD1 . ASN A 1 17 ? 17.103 3.145 4.087 1.00 67.50 17 A 1 ATOM 129 N ND2 . ASN A 1 17 ? 17.611 1.397 5.377 1.00 69.13 17 A 1 ATOM 130 N N . ALA A 1 18 ? 14.823 1.184 0.691 1.00 78.30 18 A 1 ATOM 131 C CA . ALA A 1 18 ? 15.319 0.521 -0.516 1.00 76.72 18 A 1 ATOM 132 C C . ALA A 1 18 ? 15.448 -0.991 -0.308 1.00 74.71 18 A 1 ATOM 133 O O . ALA A 1 18 ? 15.220 -1.483 0.807 1.00 67.76 18 A 1 ATOM 134 C CB . ALA A 1 18 ? 16.667 1.124 -0.932 1.00 68.64 18 A 1 ATOM 135 O OXT . ALA A 1 18 ? 15.719 -1.702 -1.285 1.00 63.25 18 A 1 #