# 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_spkb31482 # _entry.id spkb31482 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)C[C@@H](C(=O)O)N ? "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" "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" # _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 HIS 2 1 n LEU 3 1 n SER 4 1 n SER 5 1 n SER 6 1 n LEU 7 1 n LEU 8 1 n PHE 9 1 n THR 10 1 n SER 11 1 n ALA 12 1 n LEU 13 1 n LEU 14 1 n ALA 15 1 n GLY 16 1 n GLY 17 1 n ILE 18 1 n ASN 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 @ 2025-07-13 12:18:45)" _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 84.26 _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 69.26 1 1 A HIS 2 2 64.89 1 2 A LEU 3 2 75.72 1 3 A SER 4 2 84.17 1 4 A SER 5 2 89.01 1 5 A SER 6 2 90.59 1 6 A LEU 7 2 89.33 1 7 A LEU 8 2 89.00 1 8 A PHE 9 2 87.37 1 9 A THR 10 2 89.16 1 10 A SER 11 2 90.88 1 11 A ALA 12 2 93.10 1 12 A LEU 13 2 90.74 1 13 A LEU 14 2 89.87 1 14 A ALA 15 2 91.94 1 15 A GLY 16 2 91.17 1 16 A GLY 17 2 89.35 1 17 A ILE 18 2 81.70 1 18 A ASN 19 2 77.85 1 19 A ALA 20 2 80.01 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 HIS . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n SER . 5 A 5 A 6 1 n SER . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n PHE . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n ALA . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n GLY . 17 A 17 A 18 1 n ILE . 18 A 18 A 19 1 n ASN . 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 ? -14.961 -1.911 2.102 1.00 71.29 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.983 -1.079 2.835 1.00 76.58 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.620 -1.155 2.152 1.00 78.38 1 A 1 ATOM 4 O O . MET A 1 1 ? -11.894 -2.123 2.334 1.00 72.29 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.851 -1.553 4.291 1.00 69.73 1 A 1 ATOM 6 C CG . MET A 1 1 ? -15.150 -1.427 5.060 1.00 67.10 1 A 1 ATOM 7 S SD . MET A 1 1 ? -15.010 -2.020 6.757 1.00 63.56 1 A 1 ATOM 8 C CE . MET A 1 1 ? -14.469 -0.517 7.577 1.00 55.13 1 A 1 ATOM 9 N N . HIS A 1 2 ? -12.297 -0.144 1.355 1.00 71.64 2 A 1 ATOM 10 C CA . HIS A 1 2 ? -11.033 -0.097 0.613 1.00 75.72 2 A 1 ATOM 11 C C . HIS A 1 2 ? -10.061 0.926 1.216 1.00 79.14 2 A 1 ATOM 12 O O . HIS A 1 2 ? -8.893 0.980 0.845 1.00 74.57 2 A 1 ATOM 13 C CB . HIS A 1 2 ? -11.325 0.224 -0.859 1.00 68.29 2 A 1 ATOM 14 C CG . HIS A 1 2 ? -10.124 0.127 -1.749 1.00 63.08 2 A 1 ATOM 15 N ND1 . HIS A 1 2 ? -9.602 1.183 -2.447 1.00 57.07 2 A 1 ATOM 16 C CD2 . HIS A 1 2 ? -9.349 -0.945 -2.036 1.00 54.33 2 A 1 ATOM 17 C CE1 . HIS A 1 2 ? -8.547 0.751 -3.133 1.00 52.33 2 A 1 ATOM 18 N NE2 . HIS A 1 2 ? -8.362 -0.531 -2.909 1.00 52.69 2 A 1 ATOM 19 N N . LEU A 1 3 ? -10.539 1.730 2.162 1.00 76.90 3 A 1 ATOM 20 C CA . LEU A 1 3 ? -9.733 2.794 2.769 1.00 81.02 3 A 1 ATOM 21 C C . LEU A 1 3 ? -8.538 2.240 3.553 1.00 84.67 3 A 1 ATOM 22 O O . LEU A 1 3 ? -7.415 2.711 3.380 1.00 81.74 3 A 1 ATOM 23 C CB . LEU A 1 3 ? -10.613 3.663 3.673 1.00 76.66 3 A 1 ATOM 24 C CG . LEU A 1 3 ? -11.696 4.456 2.935 1.00 71.53 3 A 1 ATOM 25 C CD1 . LEU A 1 3 ? -12.648 5.086 3.935 1.00 68.51 3 A 1 ATOM 26 C CD2 . LEU A 1 3 ? -11.082 5.535 2.054 1.00 64.74 3 A 1 ATOM 27 N N . SER A 1 4 ? -8.763 1.238 4.388 1.00 84.68 4 A 1 ATOM 28 C CA . SER A 1 4 ? -7.700 0.629 5.193 1.00 86.89 4 A 1 ATOM 29 C C . SER A 1 4 ? -6.654 -0.076 4.326 1.00 88.71 4 A 1 ATOM 30 O O . SER A 1 4 ? -5.451 0.102 4.526 1.00 87.36 4 A 1 ATOM 31 C CB . SER A 1 4 ? -8.301 -0.357 6.193 1.00 83.82 4 A 1 ATOM 32 O OG . SER A 1 4 ? -9.113 -1.305 5.539 1.00 73.56 4 A 1 ATOM 33 N N . SER A 1 5 ? -7.107 -0.845 3.343 1.00 90.63 5 A 1 ATOM 34 C CA . SER A 1 5 ? -6.215 -1.561 2.429 1.00 91.53 5 A 1 ATOM 35 C C . SER A 1 5 ? -5.414 -0.594 1.556 1.00 92.68 5 A 1 ATOM 36 O O . SER A 1 5 ? -4.212 -0.775 1.361 1.00 91.22 5 A 1 ATOM 37 C CB . SER A 1 5 ? -7.020 -2.514 1.548 1.00 88.81 5 A 1 ATOM 38 O OG . SER A 1 5 ? -7.764 -3.415 2.343 1.00 79.18 5 A 1 ATOM 39 N N . SER A 1 6 ? -6.070 0.451 1.065 1.00 92.03 6 A 1 ATOM 40 C CA . SER A 1 6 ? -5.429 1.475 0.239 1.00 92.65 6 A 1 ATOM 41 C C . SER A 1 6 ? -4.379 2.257 1.033 1.00 93.78 6 A 1 ATOM 42 O O . SER A 1 6 ? -3.293 2.540 0.531 1.00 92.39 6 A 1 ATOM 43 C CB . SER A 1 6 ? -6.486 2.430 -0.315 1.00 90.76 6 A 1 ATOM 44 O OG . SER A 1 6 ? -5.912 3.305 -1.251 1.00 81.95 6 A 1 ATOM 45 N N . LEU A 1 7 ? -4.691 2.573 2.283 1.00 92.87 7 A 1 ATOM 46 C CA . LEU A 1 7 ? -3.777 3.291 3.172 1.00 93.20 7 A 1 ATOM 47 C C . LEU A 1 7 ? -2.495 2.492 3.410 1.00 94.26 7 A 1 ATOM 48 O O . LEU A 1 7 ? -1.392 3.027 3.301 1.00 94.09 7 A 1 ATOM 49 C CB . LEU A 1 7 ? -4.476 3.571 4.509 1.00 92.47 7 A 1 ATOM 50 C CG . LEU A 1 7 ? -3.721 4.555 5.404 1.00 85.64 7 A 1 ATOM 51 C CD1 . LEU A 1 7 ? -4.026 5.994 5.000 1.00 81.33 7 A 1 ATOM 52 C CD2 . LEU A 1 7 ? -4.100 4.338 6.859 1.00 80.77 7 A 1 ATOM 53 N N . LEU A 1 8 ? -2.636 1.210 3.707 1.00 91.90 8 A 1 ATOM 54 C CA . LEU A 1 8 ? -1.494 0.327 3.953 1.00 92.25 8 A 1 ATOM 55 C C . LEU A 1 8 ? -0.630 0.158 2.703 1.00 93.08 8 A 1 ATOM 56 O O . LEU A 1 8 ? 0.597 0.231 2.777 1.00 93.14 8 A 1 ATOM 57 C CB . LEU A 1 8 ? -1.995 -1.039 4.438 1.00 91.71 8 A 1 ATOM 58 C CG . LEU A 1 8 ? -2.504 -1.041 5.882 1.00 85.63 8 A 1 ATOM 59 C CD1 . LEU A 1 8 ? -3.291 -2.316 6.157 1.00 82.58 8 A 1 ATOM 60 C CD2 . LEU A 1 8 ? -1.342 -0.940 6.862 1.00 81.67 8 A 1 ATOM 61 N N . PHE A 1 9 ? -1.270 -0.041 1.559 1.00 90.80 9 A 1 ATOM 62 C CA . PHE A 1 9 ? -0.571 -0.226 0.288 1.00 90.19 9 A 1 ATOM 63 C C . PHE A 1 9 ? 0.242 1.013 -0.092 1.00 91.37 9 A 1 ATOM 64 O O . PHE A 1 9 ? 1.431 0.916 -0.403 1.00 90.93 9 A 1 ATOM 65 C CB . PHE A 1 9 ? -1.588 -0.565 -0.803 1.00 89.72 9 A 1 ATOM 66 C CG . PHE A 1 9 ? -0.943 -0.983 -2.103 1.00 87.66 9 A 1 ATOM 67 C CD1 . PHE A 1 9 ? -0.770 -0.064 -3.138 1.00 84.93 9 A 1 ATOM 68 C CD2 . PHE A 1 9 ? -0.512 -2.295 -2.278 1.00 84.52 9 A 1 ATOM 69 C CE1 . PHE A 1 9 ? -0.167 -0.448 -4.335 1.00 83.92 9 A 1 ATOM 70 C CE2 . PHE A 1 9 ? 0.094 -2.679 -3.474 1.00 83.41 9 A 1 ATOM 71 C CZ . PHE A 1 9 ? 0.266 -1.759 -4.501 1.00 83.64 9 A 1 ATOM 72 N N . THR A 1 10 ? -0.395 2.171 -0.025 1.00 91.02 10 A 1 ATOM 73 C CA . THR A 1 10 ? 0.265 3.435 -0.370 1.00 90.67 10 A 1 ATOM 74 C C . THR A 1 10 ? 1.383 3.763 0.626 1.00 91.84 10 A 1 ATOM 75 O O . THR A 1 10 ? 2.475 4.170 0.232 1.00 90.95 10 A 1 ATOM 76 C CB . THR A 1 10 ? -0.754 4.584 -0.407 1.00 89.89 10 A 1 ATOM 77 O OG1 . THR A 1 10 ? -1.830 4.254 -1.272 1.00 85.64 10 A 1 ATOM 78 C CG2 . THR A 1 10 ? -0.119 5.867 -0.924 1.00 84.09 10 A 1 ATOM 79 N N . SER A 1 11 ? 1.123 3.564 1.906 1.00 93.00 11 A 1 ATOM 80 C CA . SER A 1 11 ? 2.099 3.822 2.963 1.00 92.39 11 A 1 ATOM 81 C C . SER A 1 11 ? 3.326 2.925 2.821 1.00 92.84 11 A 1 ATOM 82 O O . SER A 1 11 ? 4.453 3.382 3.003 1.00 91.73 11 A 1 ATOM 83 C CB . SER A 1 11 ? 1.457 3.613 4.334 1.00 91.60 11 A 1 ATOM 84 O OG . SER A 1 11 ? 2.357 3.960 5.359 1.00 83.71 11 A 1 ATOM 85 N N . ALA A 1 12 ? 3.121 1.663 2.476 1.00 93.56 12 A 1 ATOM 86 C CA . ALA A 1 12 ? 4.216 0.710 2.291 1.00 93.36 12 A 1 ATOM 87 C C . ALA A 1 12 ? 5.150 1.133 1.155 1.00 94.07 12 A 1 ATOM 88 O O . ALA A 1 12 ? 6.373 1.072 1.298 1.00 92.11 12 A 1 ATOM 89 C CB . ALA A 1 12 ? 3.641 -0.681 2.023 1.00 92.38 12 A 1 ATOM 90 N N . LEU A 1 13 ? 4.585 1.588 0.045 1.00 93.48 13 A 1 ATOM 91 C CA . LEU A 1 13 ? 5.368 2.052 -1.100 1.00 92.91 13 A 1 ATOM 92 C C . LEU A 1 13 ? 6.192 3.292 -0.749 1.00 93.26 13 A 1 ATOM 93 O O . LEU A 1 13 ? 7.383 3.368 -1.067 1.00 92.53 13 A 1 ATOM 94 C CB . LEU A 1 13 ? 4.439 2.352 -2.282 1.00 92.13 13 A 1 ATOM 95 C CG . LEU A 1 13 ? 3.799 1.115 -2.920 1.00 88.97 13 A 1 ATOM 96 C CD1 . LEU A 1 13 ? 2.737 1.546 -3.922 1.00 86.59 13 A 1 ATOM 97 C CD2 . LEU A 1 13 ? 4.842 0.249 -3.616 1.00 86.02 13 A 1 ATOM 98 N N . LEU A 1 14 ? 5.573 4.247 -0.073 1.00 93.38 14 A 1 ATOM 99 C CA . LEU A 1 14 ? 6.244 5.481 0.332 1.00 92.85 14 A 1 ATOM 100 C C . LEU A 1 14 ? 7.339 5.207 1.365 1.00 93.32 14 A 1 ATOM 101 O O . LEU A 1 14 ? 8.450 5.731 1.243 1.00 92.79 14 A 1 ATOM 102 C CB . LEU A 1 14 ? 5.216 6.468 0.891 1.00 91.60 14 A 1 ATOM 103 C CG . LEU A 1 14 ? 4.262 7.055 -0.156 1.00 86.85 14 A 1 ATOM 104 C CD1 . LEU A 1 14 ? 3.115 7.781 0.529 1.00 83.84 14 A 1 ATOM 105 C CD2 . LEU A 1 14 ? 4.994 8.009 -1.089 1.00 84.29 14 A 1 ATOM 106 N N . ALA A 1 15 ? 7.038 4.379 2.356 1.00 92.90 15 A 1 ATOM 107 C CA . ALA A 1 15 ? 7.993 4.023 3.405 1.00 92.52 15 A 1 ATOM 108 C C . ALA A 1 15 ? 9.205 3.289 2.832 1.00 93.08 15 A 1 ATOM 109 O O . ALA A 1 15 ? 10.341 3.563 3.214 1.00 90.54 15 A 1 ATOM 110 C CB . ALA A 1 15 ? 7.297 3.171 4.465 1.00 90.67 15 A 1 ATOM 111 N N . GLY A 1 16 ? 8.970 2.380 1.894 1.00 91.81 16 A 1 ATOM 112 C CA . GLY A 1 16 ? 10.057 1.650 1.243 1.00 91.09 16 A 1 ATOM 113 C C . GLY A 1 16 ? 10.945 2.557 0.405 1.00 92.15 16 A 1 ATOM 114 O O . GLY A 1 16 ? 12.166 2.403 0.398 1.00 89.63 16 A 1 ATOM 115 N N . GLY A 1 17 ? 10.341 3.521 -0.280 1.00 89.99 17 A 1 ATOM 116 C CA . GLY A 1 17 ? 11.077 4.468 -1.117 1.00 89.21 17 A 1 ATOM 117 C C . GLY A 1 17 ? 11.980 5.399 -0.321 1.00 90.08 17 A 1 ATOM 118 O O . GLY A 1 17 ? 13.127 5.629 -0.703 1.00 88.14 17 A 1 ATOM 119 N N . ILE A 1 18 ? 11.481 5.925 0.787 1.00 86.76 18 A 1 ATOM 120 C CA . ILE A 1 18 ? 12.256 6.843 1.631 1.00 86.10 18 A 1 ATOM 121 C C . ILE A 1 18 ? 13.373 6.131 2.396 1.00 86.67 18 A 1 ATOM 122 O O . ILE A 1 18 ? 14.369 6.752 2.764 1.00 83.92 18 A 1 ATOM 123 C CB . ILE A 1 18 ? 11.351 7.600 2.627 1.00 83.46 18 A 1 ATOM 124 C CG1 . ILE A 1 18 ? 10.603 6.625 3.548 1.00 80.66 18 A 1 ATOM 125 C CG2 . ILE A 1 18 ? 10.382 8.511 1.873 1.00 76.24 18 A 1 ATOM 126 C CD1 . ILE A 1 18 ? 9.953 7.287 4.746 1.00 69.82 18 A 1 ATOM 127 N N . ASN A 1 19 ? 13.203 4.844 2.647 1.00 81.55 19 A 1 ATOM 128 C CA . ASN A 1 19 ? 14.179 4.046 3.393 1.00 82.11 19 A 1 ATOM 129 C C . ASN A 1 19 ? 15.284 3.496 2.494 1.00 81.97 19 A 1 ATOM 130 O O . ASN A 1 19 ? 16.325 3.055 2.982 1.00 80.48 19 A 1 ATOM 131 C CB . ASN A 1 19 ? 13.466 2.895 4.119 1.00 79.61 19 A 1 ATOM 132 C CG . ASN A 1 19 ? 13.879 2.779 5.565 1.00 75.46 19 A 1 ATOM 133 O OD1 . ASN A 1 19 ? 13.715 3.691 6.347 1.00 71.48 19 A 1 ATOM 134 N ND2 . ASN A 1 19 ? 14.415 1.635 5.952 1.00 70.16 19 A 1 ATOM 135 N N . ALA A 1 20 ? 15.065 3.514 1.185 1.00 85.73 20 A 1 ATOM 136 C CA . ALA A 1 20 ? 16.015 3.000 0.207 1.00 84.52 20 A 1 ATOM 137 C C . ALA A 1 20 ? 17.137 4.003 -0.089 1.00 82.00 20 A 1 ATOM 138 O O . ALA A 1 20 ? 16.952 5.211 0.141 1.00 77.98 20 A 1 ATOM 139 C CB . ALA A 1 20 ? 15.279 2.608 -1.070 1.00 79.02 20 A 1 ATOM 140 O OXT . ALA A 1 20 ? 18.203 3.558 -0.572 1.00 70.80 20 A 1 #