# 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_spkb18004 # _entry.id spkb18004 # 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 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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" "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" "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 ASP 2 1 n ILE 3 1 n ARG 4 1 n PRO 5 1 n ILE 6 1 n ILE 7 1 n ILE 8 1 n SER 9 1 n LEU 10 1 n LEU 11 1 n ILE 12 1 n SER 13 1 n THR 14 1 n CYS 15 1 n VAL 16 1 n GLN 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 @ 2025-07-06 16:03:57)" _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 92.42 _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 84.02 1 1 A ASP 2 2 86.87 1 2 A ILE 3 2 89.42 1 3 A ARG 4 2 86.29 1 4 A PRO 5 2 95.99 1 5 A ILE 6 2 94.51 1 6 A ILE 7 2 94.97 1 7 A ILE 8 2 94.59 1 8 A SER 9 2 94.69 1 9 A LEU 10 2 94.08 1 10 A LEU 11 2 94.72 1 11 A ILE 12 2 95.31 1 12 A SER 13 2 94.73 1 13 A THR 14 2 94.92 1 14 A CYS 15 2 94.90 1 15 A VAL 16 2 95.36 1 16 A GLN 17 2 92.59 1 17 A ALA 18 2 90.15 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 ILE . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n PRO . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n ILE . 8 A 8 A 9 1 n SER . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n ILE . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n CYS . 15 A 15 A 16 1 n VAL . 16 A 16 A 17 1 n GLN . 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 ? -13.511 6.303 8.316 1.00 91.45 1 A 1 ATOM 2 C CA . MET A 1 1 ? -12.487 6.235 7.253 1.00 92.18 1 A 1 ATOM 3 C C . MET A 1 1 ? -11.305 5.391 7.732 1.00 92.62 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.697 5.707 8.747 1.00 90.15 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.022 7.646 6.882 1.00 88.27 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.185 7.687 5.608 1.00 79.69 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.926 9.379 5.029 1.00 72.86 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.781 9.096 3.687 1.00 64.93 1 A 1 ATOM 9 N N . ASP A 1 2 ? -11.004 4.313 7.021 1.00 89.35 2 A 1 ATOM 10 C CA . ASP A 1 2 ? -9.911 3.419 7.405 1.00 92.97 2 A 1 ATOM 11 C C . ASP A 1 2 ? -8.585 3.879 6.803 1.00 93.73 2 A 1 ATOM 12 O O . ASP A 1 2 ? -8.502 4.148 5.604 1.00 92.14 2 A 1 ATOM 13 C CB . ASP A 1 2 ? -10.231 2.002 6.959 1.00 89.12 2 A 1 ATOM 14 C CG . ASP A 1 2 ? -11.337 1.395 7.797 1.00 80.42 2 A 1 ATOM 15 O OD1 . ASP A 1 2 ? -11.225 1.436 9.032 1.00 79.86 2 A 1 ATOM 16 O OD2 . ASP A 1 2 ? -12.307 0.893 7.205 1.00 77.35 2 A 1 ATOM 17 N N . ILE A 1 3 ? -7.551 3.951 7.641 1.00 94.48 3 A 1 ATOM 18 C CA . ILE A 1 3 ? -6.235 4.397 7.192 1.00 94.23 3 A 1 ATOM 19 C C . ILE A 1 3 ? -5.319 3.216 6.849 1.00 94.81 3 A 1 ATOM 20 O O . ILE A 1 3 ? -4.287 3.387 6.198 1.00 92.87 3 A 1 ATOM 21 C CB . ILE A 1 3 ? -5.596 5.285 8.282 1.00 92.36 3 A 1 ATOM 22 C CG1 . ILE A 1 3 ? -4.407 6.072 7.732 1.00 85.58 3 A 1 ATOM 23 C CG2 . ILE A 1 3 ? -5.171 4.438 9.484 1.00 83.65 3 A 1 ATOM 24 C CD1 . ILE A 1 3 ? -4.751 7.475 7.355 1.00 77.36 3 A 1 ATOM 25 N N . ARG A 1 4 ? -5.712 2.021 7.270 1.00 93.78 4 A 1 ATOM 26 C CA . ARG A 1 4 ? -4.905 0.812 7.061 1.00 95.03 4 A 1 ATOM 27 C C . ARG A 1 4 ? -4.564 0.567 5.583 1.00 95.17 4 A 1 ATOM 28 O O . ARG A 1 4 ? -3.392 0.387 5.254 1.00 94.79 4 A 1 ATOM 29 C CB . ARG A 1 4 ? -5.621 -0.402 7.676 1.00 93.80 4 A 1 ATOM 30 C CG . ARG A 1 4 ? -4.638 -1.478 8.079 1.00 88.45 4 A 1 ATOM 31 C CD . ARG A 1 4 ? -5.346 -2.778 8.430 1.00 85.97 4 A 1 ATOM 32 N NE . ARG A 1 4 ? -5.909 -2.745 9.788 1.00 80.34 4 A 1 ATOM 33 C CZ . ARG A 1 4 ? -6.419 -3.806 10.399 1.00 78.28 4 A 1 ATOM 34 N NH1 . ARG A 1 4 ? -6.475 -4.979 9.795 1.00 72.64 4 A 1 ATOM 35 N NH2 . ARG A 1 4 ? -6.887 -3.700 11.628 1.00 70.97 4 A 1 ATOM 36 N N . PRO A 1 5 ? -5.552 0.561 4.677 1.00 96.21 5 A 1 ATOM 37 C CA . PRO A 1 5 ? -5.252 0.342 3.253 1.00 96.73 5 A 1 ATOM 38 C C . PRO A 1 5 ? -4.386 1.452 2.662 1.00 97.19 5 A 1 ATOM 39 O O . PRO A 1 5 ? -3.586 1.209 1.758 1.00 96.37 5 A 1 ATOM 40 C CB . PRO A 1 5 ? -6.635 0.302 2.587 1.00 95.52 5 A 1 ATOM 41 C CG . PRO A 1 5 ? -7.540 1.011 3.543 1.00 94.16 5 A 1 ATOM 42 C CD . PRO A 1 5 ? -6.981 0.731 4.914 1.00 95.76 5 A 1 ATOM 43 N N . ILE A 1 6 ? -4.520 2.651 3.172 1.00 96.28 6 A 1 ATOM 44 C CA . ILE A 1 6 ? -3.726 3.790 2.710 1.00 96.41 6 A 1 ATOM 45 C C . ILE A 1 6 ? -2.253 3.590 3.074 1.00 96.87 6 A 1 ATOM 46 O O . ILE A 1 6 ? -1.363 3.832 2.256 1.00 96.32 6 A 1 ATOM 47 C CB . ILE A 1 6 ? -4.255 5.109 3.309 1.00 96.19 6 A 1 ATOM 48 C CG1 . ILE A 1 6 ? -5.717 5.335 2.893 1.00 93.13 6 A 1 ATOM 49 C CG2 . ILE A 1 6 ? -3.383 6.280 2.854 1.00 92.69 6 A 1 ATOM 50 C CD1 . ILE A 1 6 ? -6.386 6.485 3.632 1.00 88.22 6 A 1 ATOM 51 N N . ILE A 1 7 ? -2.003 3.133 4.290 1.00 96.42 7 A 1 ATOM 52 C CA . ILE A 1 7 ? -0.639 2.882 4.760 1.00 96.55 7 A 1 ATOM 53 C C . ILE A 1 7 ? 0.023 1.797 3.910 1.00 96.81 7 A 1 ATOM 54 O O . ILE A 1 7 ? 1.183 1.929 3.508 1.00 96.57 7 A 1 ATOM 55 C CB . ILE A 1 7 ? -0.645 2.477 6.246 1.00 96.52 7 A 1 ATOM 56 C CG1 . ILE A 1 7 ? -1.142 3.644 7.113 1.00 94.46 7 A 1 ATOM 57 C CG2 . ILE A 1 7 ? 0.760 2.061 6.696 1.00 93.94 7 A 1 ATOM 58 C CD1 . ILE A 1 7 ? -1.475 3.231 8.536 1.00 88.47 7 A 1 ATOM 59 N N . ILE A 1 8 ? -0.716 0.734 3.619 1.00 96.45 8 A 1 ATOM 60 C CA . ILE A 1 8 ? -0.201 -0.369 2.809 1.00 96.11 8 A 1 ATOM 61 C C . ILE A 1 8 ? 0.156 0.127 1.407 1.00 96.43 8 A 1 ATOM 62 O O . ILE A 1 8 ? 1.222 -0.195 0.875 1.00 96.21 8 A 1 ATOM 63 C CB . ILE A 1 8 ? -1.229 -1.512 2.739 1.00 95.99 8 A 1 ATOM 64 C CG1 . ILE A 1 8 ? -1.437 -2.127 4.131 1.00 93.77 8 A 1 ATOM 65 C CG2 . ILE A 1 8 ? -0.763 -2.591 1.758 1.00 93.14 8 A 1 ATOM 66 C CD1 . ILE A 1 8 ? -2.666 -3.023 4.216 1.00 88.61 8 A 1 ATOM 67 N N . SER A 1 9 ? -0.712 0.908 0.818 1.00 96.21 9 A 1 ATOM 68 C CA . SER A 1 9 ? -0.486 1.456 -0.519 1.00 96.24 9 A 1 ATOM 69 C C . SER A 1 9 ? 0.758 2.346 -0.541 1.00 96.57 9 A 1 ATOM 70 O O . SER A 1 9 ? 1.551 2.308 -1.484 1.00 95.59 9 A 1 ATOM 71 C CB . SER A 1 9 ? -1.713 2.251 -0.961 1.00 95.53 9 A 1 ATOM 72 O OG . SER A 1 9 ? -1.651 2.541 -2.331 1.00 87.98 9 A 1 ATOM 73 N N . LEU A 1 10 ? 0.944 3.121 0.507 1.00 96.19 10 A 1 ATOM 74 C CA . LEU A 1 10 ? 2.100 4.011 0.628 1.00 96.11 10 A 1 ATOM 75 C C . LEU A 1 10 ? 3.391 3.201 0.749 1.00 96.60 10 A 1 ATOM 76 O O . LEU A 1 10 ? 4.413 3.551 0.156 1.00 95.99 10 A 1 ATOM 77 C CB . LEU A 1 10 ? 1.906 4.921 1.849 1.00 95.93 10 A 1 ATOM 78 C CG . LEU A 1 10 ? 2.557 6.292 1.706 1.00 91.81 10 A 1 ATOM 79 C CD1 . LEU A 1 10 ? 1.619 7.384 2.215 1.00 89.34 10 A 1 ATOM 80 C CD2 . LEU A 1 10 ? 3.860 6.344 2.477 1.00 90.69 10 A 1 ATOM 81 N N . LEU A 1 11 ? 3.332 2.109 1.495 1.00 96.74 11 A 1 ATOM 82 C CA . LEU A 1 11 ? 4.483 1.229 1.685 1.00 96.65 11 A 1 ATOM 83 C C . LEU A 1 11 ? 4.902 0.599 0.362 1.00 96.84 11 A 1 ATOM 84 O O . LEU A 1 11 ? 6.090 0.537 0.037 1.00 96.22 11 A 1 ATOM 85 C CB . LEU A 1 11 ? 4.122 0.151 2.715 1.00 96.36 11 A 1 ATOM 86 C CG . LEU A 1 11 ? 5.200 -0.082 3.766 1.00 93.23 11 A 1 ATOM 87 C CD1 . LEU A 1 11 ? 4.588 -0.661 5.035 1.00 90.55 11 A 1 ATOM 88 C CD2 . LEU A 1 11 ? 6.266 -1.018 3.233 1.00 91.17 11 A 1 ATOM 89 N N . ILE A 1 12 ? 3.928 0.146 -0.417 1.00 97.12 12 A 1 ATOM 90 C CA . ILE A 1 12 ? 4.192 -0.455 -1.722 1.00 96.88 12 A 1 ATOM 91 C C . ILE A 1 12 ? 4.844 0.573 -2.649 1.00 97.13 12 A 1 ATOM 92 O O . ILE A 1 12 ? 5.814 0.264 -3.347 1.00 96.62 12 A 1 ATOM 93 C CB . ILE A 1 12 ? 2.891 -1.000 -2.336 1.00 96.33 12 A 1 ATOM 94 C CG1 . ILE A 1 12 ? 2.348 -2.164 -1.497 1.00 94.55 12 A 1 ATOM 95 C CG2 . ILE A 1 12 ? 3.137 -1.471 -3.774 1.00 94.06 12 A 1 ATOM 96 C CD1 . ILE A 1 12 ? 0.906 -2.517 -1.823 1.00 89.83 12 A 1 ATOM 97 N N . SER A 1 13 ? 4.338 1.781 -2.647 1.00 97.14 13 A 1 ATOM 98 C CA . SER A 1 13 ? 4.886 2.853 -3.477 1.00 96.96 13 A 1 ATOM 99 C C . SER A 1 13 ? 6.345 3.134 -3.117 1.00 97.19 13 A 1 ATOM 100 O O . SER A 1 13 ? 7.180 3.351 -3.995 1.00 96.17 13 A 1 ATOM 101 C CB . SER A 1 13 ? 4.056 4.124 -3.308 1.00 95.89 13 A 1 ATOM 102 O OG . SER A 1 13 ? 2.751 3.942 -3.806 1.00 85.05 13 A 1 ATOM 103 N N . THR A 1 14 ? 6.657 3.100 -1.830 1.00 97.14 14 A 1 ATOM 104 C CA . THR A 1 14 ? 8.019 3.320 -1.355 1.00 96.97 14 A 1 ATOM 105 C C . THR A 1 14 ? 8.943 2.199 -1.828 1.00 97.11 14 A 1 ATOM 106 O O . THR A 1 14 ? 10.078 2.456 -2.239 1.00 95.83 14 A 1 ATOM 107 C CB . THR A 1 14 ? 8.038 3.399 0.179 1.00 96.13 14 A 1 ATOM 108 O OG1 . THR A 1 14 ? 7.110 4.383 0.626 1.00 90.73 14 A 1 ATOM 109 C CG2 . THR A 1 14 ? 9.419 3.781 0.688 1.00 90.54 14 A 1 ATOM 110 N N . CYS A 1 15 ? 8.462 0.958 -1.796 1.00 96.44 15 A 1 ATOM 111 C CA . CYS A 1 15 ? 9.238 -0.194 -2.248 1.00 96.38 15 A 1 ATOM 112 C C . CYS A 1 15 ? 9.570 -0.088 -3.735 1.00 96.44 15 A 1 ATOM 113 O O . CYS A 1 15 ? 10.672 -0.426 -4.155 1.00 94.72 15 A 1 ATOM 114 C CB . CYS A 1 15 ? 8.463 -1.486 -1.972 1.00 95.17 15 A 1 ATOM 115 S SG . CYS A 1 15 ? 8.485 -1.936 -0.229 1.00 90.26 15 A 1 ATOM 116 N N . VAL A 1 16 ? 8.622 0.376 -4.525 1.00 97.04 16 A 1 ATOM 117 C CA . VAL A 1 16 ? 8.822 0.537 -5.966 1.00 97.08 16 A 1 ATOM 118 C C . VAL A 1 16 ? 9.825 1.654 -6.257 1.00 97.28 16 A 1 ATOM 119 O O . VAL A 1 16 ? 10.612 1.566 -7.202 1.00 96.32 16 A 1 ATOM 120 C CB . VAL A 1 16 ? 7.480 0.822 -6.660 1.00 96.05 16 A 1 ATOM 121 C CG1 . VAL A 1 16 ? 7.678 1.111 -8.139 1.00 92.04 16 A 1 ATOM 122 C CG2 . VAL A 1 16 ? 6.534 -0.355 -6.493 1.00 91.74 16 A 1 ATOM 123 N N . GLN A 1 17 ? 9.802 2.694 -5.451 1.00 97.23 17 A 1 ATOM 124 C CA . GLN A 1 17 ? 10.717 3.822 -5.619 1.00 97.18 17 A 1 ATOM 125 C C . GLN A 1 17 ? 12.153 3.455 -5.260 1.00 97.18 17 A 1 ATOM 126 O O . GLN A 1 17 ? 13.088 3.979 -5.863 1.00 95.62 17 A 1 ATOM 127 C CB . GLN A 1 17 ? 10.261 4.998 -4.747 1.00 96.22 17 A 1 ATOM 128 C CG . GLN A 1 17 ? 9.173 5.821 -5.414 1.00 91.66 17 A 1 ATOM 129 C CD . GLN A 1 17 ? 8.830 7.071 -4.630 1.00 89.57 17 A 1 ATOM 130 O OE1 . GLN A 1 17 ? 9.021 7.144 -3.422 1.00 85.34 17 A 1 ATOM 131 N NE2 . GLN A 1 17 ? 8.325 8.088 -5.304 1.00 83.28 17 A 1 ATOM 132 N N . ALA A 1 18 ? 12.312 2.563 -4.290 1.00 94.75 18 A 1 ATOM 133 C CA . ALA A 1 18 ? 13.634 2.143 -3.828 1.00 93.93 18 A 1 ATOM 134 C C . ALA A 1 18 ? 14.408 1.430 -4.941 1.00 92.36 18 A 1 ATOM 135 O O . ALA A 1 18 ? 15.602 1.732 -5.119 1.00 88.58 18 A 1 ATOM 136 C CB . ALA A 1 18 ? 13.491 1.244 -2.599 1.00 90.81 18 A 1 ATOM 137 O OXT . ALA A 1 18 ? 13.835 0.582 -5.622 1.00 80.48 18 A 1 #