# 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_spkb07282 # _entry.id spkb07282 # 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" "C5 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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 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" "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" "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" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 GLY 2 1 n LYS 3 1 n PRO 4 1 n PHE 5 1 n TRP 6 1 n ARG 7 1 n SER 8 1 n VAL 9 1 n GLU 10 1 n TYR 11 1 n PHE 12 1 n PHE 13 1 n THR 14 1 n GLY 15 1 n ASN 16 1 n TYR 17 1 n SER 18 1 n ALA 19 # _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 @ 2025-07-05 06:39:02)" _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 87.55 _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 70.27 1 1 A GLY 2 2 84.65 1 2 A LYS 3 2 77.50 1 3 A PRO 4 2 88.84 1 4 A PHE 5 2 87.07 1 5 A TRP 6 2 89.62 1 6 A ARG 7 2 83.72 1 7 A SER 8 2 93.16 1 8 A VAL 9 2 94.11 1 9 A GLU 10 2 89.00 1 10 A TYR 11 2 89.00 1 11 A PHE 12 2 91.71 1 12 A PHE 13 2 92.08 1 13 A THR 14 2 92.87 1 14 A GLY 15 2 94.27 1 15 A ASN 16 2 87.93 1 16 A TYR 17 2 87.85 1 17 A SER 18 2 88.10 1 18 A ALA 19 2 82.64 1 19 # _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 GLY . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n PRO . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n TRP . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n SER . 8 A 8 A 9 1 n VAL . 9 A 9 A 10 1 n GLU . 10 A 10 A 11 1 n TYR . 11 A 11 A 12 1 n PHE . 12 A 12 A 13 1 n PHE . 13 A 13 A 14 1 n THR . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n ASN . 16 A 16 A 17 1 n TYR . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -14.695 5.531 11.148 1.00 78.10 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.650 4.774 10.426 1.00 78.04 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.007 4.617 8.951 1.00 78.29 1 A 1 ATOM 4 O O . MET A 1 1 ? -15.176 4.476 8.606 1.00 71.14 1 A 1 ATOM 5 C CB . MET A 1 1 ? -13.474 3.381 11.046 1.00 71.18 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.895 3.436 12.444 1.00 66.64 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.698 1.796 13.160 1.00 62.77 1 A 1 ATOM 8 C CE . MET A 1 1 ? -11.892 2.218 14.695 1.00 55.97 1 A 1 ATOM 9 N N . GLY A 1 2 ? -12.991 4.654 8.094 1.00 82.05 2 A 1 ATOM 10 C CA . GLY A 1 2 ? -13.207 4.490 6.663 1.00 85.27 2 A 1 ATOM 11 C C . GLY A 1 2 ? -12.017 3.836 5.992 1.00 87.42 2 A 1 ATOM 12 O O . GLY A 1 2 ? -12.034 2.647 5.688 1.00 83.87 2 A 1 ATOM 13 N N . LYS A 1 3 ? -10.946 4.609 5.750 1.00 84.91 3 A 1 ATOM 14 C CA . LYS A 1 3 ? -9.734 4.116 5.102 1.00 86.00 3 A 1 ATOM 15 C C . LYS A 1 3 ? -8.802 3.458 6.122 1.00 87.57 3 A 1 ATOM 16 O O . LYS A 1 3 ? -8.517 4.055 7.155 1.00 85.02 3 A 1 ATOM 17 C CB . LYS A 1 3 ? -9.022 5.274 4.408 1.00 81.07 3 A 1 ATOM 18 C CG . LYS A 1 3 ? -7.797 4.862 3.612 1.00 75.07 3 A 1 ATOM 19 C CD . LYS A 1 3 ? -7.325 6.013 2.727 1.00 73.10 3 A 1 ATOM 20 C CE . LYS A 1 3 ? -6.017 5.681 2.022 1.00 65.59 3 A 1 ATOM 21 N NZ . LYS A 1 3 ? -4.869 5.745 2.964 1.00 59.19 3 A 1 ATOM 22 N N . PRO A 1 4 ? -8.312 2.233 5.838 1.00 89.40 4 A 1 ATOM 23 C CA . PRO A 1 4 ? -7.409 1.526 6.750 1.00 90.89 4 A 1 ATOM 24 C C . PRO A 1 4 ? -6.033 2.191 6.806 1.00 92.56 4 A 1 ATOM 25 O O . PRO A 1 4 ? -5.549 2.722 5.802 1.00 89.77 4 A 1 ATOM 26 C CB . PRO A 1 4 ? -7.324 0.114 6.155 1.00 86.62 4 A 1 ATOM 27 C CG . PRO A 1 4 ? -7.649 0.286 4.710 1.00 84.52 4 A 1 ATOM 28 C CD . PRO A 1 4 ? -8.614 1.443 4.642 1.00 88.15 4 A 1 ATOM 29 N N . PHE A 1 5 ? -5.397 2.152 7.977 1.00 91.81 5 A 1 ATOM 30 C CA . PHE A 1 5 ? -4.090 2.772 8.185 1.00 92.20 5 A 1 ATOM 31 C C . PHE A 1 5 ? -3.001 2.126 7.328 1.00 93.73 5 A 1 ATOM 32 O O . PHE A 1 5 ? -2.189 2.827 6.723 1.00 92.54 5 A 1 ATOM 33 C CB . PHE A 1 5 ? -3.714 2.687 9.666 1.00 90.41 5 A 1 ATOM 34 C CG . PHE A 1 5 ? -2.303 3.130 9.939 1.00 86.25 5 A 1 ATOM 35 C CD1 . PHE A 1 5 ? -1.960 4.470 9.878 1.00 84.96 5 A 1 ATOM 36 C CD2 . PHE A 1 5 ? -1.319 2.198 10.239 1.00 84.02 5 A 1 ATOM 37 C CE1 . PHE A 1 5 ? -0.658 4.885 10.118 1.00 81.46 5 A 1 ATOM 38 C CE2 . PHE A 1 5 ? -0.013 2.606 10.476 1.00 81.40 5 A 1 ATOM 39 C CZ . PHE A 1 5 ? 0.316 3.951 10.419 1.00 78.98 5 A 1 ATOM 40 N N . TRP A 1 6 ? -2.988 0.792 7.271 1.00 93.57 6 A 1 ATOM 41 C CA . TRP A 1 6 ? -1.957 0.060 6.530 1.00 93.99 6 A 1 ATOM 42 C C . TRP A 1 6 ? -1.975 0.395 5.040 1.00 94.28 6 A 1 ATOM 43 O O . TRP A 1 6 ? -0.957 0.264 4.361 1.00 93.18 6 A 1 ATOM 44 C CB . TRP A 1 6 ? -2.111 -1.450 6.749 1.00 93.33 6 A 1 ATOM 45 C CG . TRP A 1 6 ? -3.492 -1.991 6.488 1.00 91.08 6 A 1 ATOM 46 C CD1 . TRP A 1 6 ? -4.067 -2.194 5.273 1.00 88.90 6 A 1 ATOM 47 C CD2 . TRP A 1 6 ? -4.463 -2.411 7.467 1.00 90.40 6 A 1 ATOM 48 N NE1 . TRP A 1 6 ? -5.337 -2.702 5.431 1.00 86.89 6 A 1 ATOM 49 C CE2 . TRP A 1 6 ? -5.608 -2.853 6.768 1.00 89.54 6 A 1 ATOM 50 C CE3 . TRP A 1 6 ? -4.458 -2.460 8.864 1.00 86.13 6 A 1 ATOM 51 C CZ2 . TRP A 1 6 ? -6.744 -3.332 7.429 1.00 86.45 6 A 1 ATOM 52 C CZ3 . TRP A 1 6 ? -5.589 -2.942 9.523 1.00 83.97 6 A 1 ATOM 53 C CH2 . TRP A 1 6 ? -6.720 -3.371 8.805 1.00 82.98 6 A 1 ATOM 54 N N . ARG A 1 7 ? -3.112 0.847 4.520 1.00 92.99 7 A 1 ATOM 55 C CA . ARG A 1 7 ? -3.222 1.209 3.105 1.00 92.42 7 A 1 ATOM 56 C C . ARG A 1 7 ? -2.344 2.419 2.788 1.00 92.79 7 A 1 ATOM 57 O O . ARG A 1 7 ? -1.728 2.486 1.725 1.00 91.41 7 A 1 ATOM 58 C CB . ARG A 1 7 ? -4.687 1.486 2.752 1.00 91.10 7 A 1 ATOM 59 C CG . ARG A 1 7 ? -4.928 1.442 1.251 1.00 84.93 7 A 1 ATOM 60 C CD . ARG A 1 7 ? -6.415 1.445 0.929 1.00 83.42 7 A 1 ATOM 61 N NE . ARG A 1 7 ? -6.656 1.197 -0.499 1.00 77.95 7 A 1 ATOM 62 C CZ . ARG A 1 7 ? -7.859 1.022 -1.042 1.00 75.57 7 A 1 ATOM 63 N NH1 . ARG A 1 7 ? -8.950 1.083 -0.301 1.00 70.30 7 A 1 ATOM 64 N NH2 . ARG A 1 7 ? -7.967 0.790 -2.340 1.00 67.99 7 A 1 ATOM 65 N N . SER A 1 8 ? -2.248 3.359 3.702 1.00 94.29 8 A 1 ATOM 66 C CA . SER A 1 8 ? -1.403 4.542 3.531 1.00 94.15 8 A 1 ATOM 67 C C . SER A 1 8 ? 0.077 4.156 3.529 1.00 94.87 8 A 1 ATOM 68 O O . SER A 1 8 ? 0.871 4.722 2.779 1.00 93.96 8 A 1 ATOM 69 C CB . SER A 1 8 ? -1.677 5.550 4.641 1.00 93.34 8 A 1 ATOM 70 O OG . SER A 1 8 ? -3.036 5.956 4.612 1.00 88.36 8 A 1 ATOM 71 N N . VAL A 1 9 ? 0.439 3.177 4.350 1.00 94.81 9 A 1 ATOM 72 C CA . VAL A 1 9 ? 1.817 2.687 4.425 1.00 94.94 9 A 1 ATOM 73 C C . VAL A 1 9 ? 2.211 1.987 3.126 1.00 95.21 9 A 1 ATOM 74 O O . VAL A 1 9 ? 3.338 2.136 2.646 1.00 94.40 9 A 1 ATOM 75 C CB . VAL A 1 9 ? 1.988 1.728 5.616 1.00 94.59 9 A 1 ATOM 76 C CG1 . VAL A 1 9 ? 3.422 1.218 5.697 1.00 92.80 9 A 1 ATOM 77 C CG2 . VAL A 1 9 ? 1.601 2.415 6.915 1.00 92.05 9 A 1 ATOM 78 N N . GLU A 1 10 ? 1.289 1.234 2.542 1.00 94.47 10 A 1 ATOM 79 C CA . GLU A 1 10 ? 1.543 0.522 1.293 1.00 93.73 10 A 1 ATOM 80 C C . GLU A 1 10 ? 1.835 1.492 0.151 1.00 94.08 10 A 1 ATOM 81 O O . GLU A 1 10 ? 2.738 1.256 -0.656 1.00 93.92 10 A 1 ATOM 82 C CB . GLU A 1 10 ? 0.343 -0.357 0.931 1.00 93.71 10 A 1 ATOM 83 C CG . GLU A 1 10 ? 0.237 -1.599 1.785 1.00 87.56 10 A 1 ATOM 84 C CD . GLU A 1 10 ? -0.953 -2.453 1.397 1.00 83.44 10 A 1 ATOM 85 O OE1 . GLU A 1 10 ? -1.808 -2.697 2.260 1.00 79.52 10 A 1 ATOM 86 O OE2 . GLU A 1 10 ? -1.028 -2.878 0.225 1.00 80.55 10 A 1 ATOM 87 N N . TYR A 1 11 ? 1.088 2.587 0.072 1.00 93.83 11 A 1 ATOM 88 C CA . TYR A 1 11 ? 1.302 3.585 -0.975 1.00 93.12 11 A 1 ATOM 89 C C . TYR A 1 11 ? 2.671 4.253 -0.826 1.00 94.01 11 A 1 ATOM 90 O O . TYR A 1 11 ? 3.364 4.498 -1.814 1.00 93.10 11 A 1 ATOM 91 C CB . TYR A 1 11 ? 0.197 4.643 -0.928 1.00 92.21 11 A 1 ATOM 92 C CG . TYR A 1 11 ? -1.102 4.180 -1.555 1.00 89.80 11 A 1 ATOM 93 C CD1 . TYR A 1 11 ? -1.166 3.865 -2.910 1.00 86.73 11 A 1 ATOM 94 C CD2 . TYR A 1 11 ? -2.261 4.070 -0.793 1.00 86.89 11 A 1 ATOM 95 C CE1 . TYR A 1 11 ? -2.357 3.441 -3.490 1.00 85.42 11 A 1 ATOM 96 C CE2 . TYR A 1 11 ? -3.454 3.644 -1.367 1.00 85.30 11 A 1 ATOM 97 C CZ . TYR A 1 11 ? -3.496 3.333 -2.712 1.00 84.85 11 A 1 ATOM 98 O OH . TYR A 1 11 ? -4.672 2.916 -3.285 1.00 82.68 11 A 1 ATOM 99 N N . PHE A 1 12 ? 3.073 4.529 0.399 1.00 93.28 12 A 1 ATOM 100 C CA . PHE A 1 12 ? 4.376 5.138 0.668 1.00 93.16 12 A 1 ATOM 101 C C . PHE A 1 12 ? 5.516 4.185 0.304 1.00 94.14 12 A 1 ATOM 102 O O . PHE A 1 12 ? 6.497 4.593 -0.325 1.00 93.76 12 A 1 ATOM 103 C CB . PHE A 1 12 ? 4.467 5.525 2.143 1.00 92.97 12 A 1 ATOM 104 C CG . PHE A 1 12 ? 5.769 6.200 2.493 1.00 92.51 12 A 1 ATOM 105 C CD1 . PHE A 1 12 ? 5.995 7.523 2.141 1.00 90.18 12 A 1 ATOM 106 C CD2 . PHE A 1 12 ? 6.763 5.504 3.169 1.00 90.25 12 A 1 ATOM 107 C CE1 . PHE A 1 12 ? 7.192 8.149 2.456 1.00 89.57 12 A 1 ATOM 108 C CE2 . PHE A 1 12 ? 7.969 6.125 3.484 1.00 89.46 12 A 1 ATOM 109 C CZ . PHE A 1 12 ? 8.180 7.449 3.129 1.00 89.52 12 A 1 ATOM 110 N N . PHE A 1 13 ? 5.382 2.920 0.691 1.00 94.51 13 A 1 ATOM 111 C CA . PHE A 1 13 ? 6.397 1.910 0.408 1.00 94.18 13 A 1 ATOM 112 C C . PHE A 1 13 ? 6.496 1.640 -1.092 1.00 94.85 13 A 1 ATOM 113 O O . PHE A 1 13 ? 7.593 1.480 -1.627 1.00 94.21 13 A 1 ATOM 114 C CB . PHE A 1 13 ? 6.068 0.618 1.160 1.00 93.61 13 A 1 ATOM 115 C CG . PHE A 1 13 ? 7.154 -0.418 1.063 1.00 92.66 13 A 1 ATOM 116 C CD1 . PHE A 1 13 ? 8.324 -0.278 1.792 1.00 89.66 13 A 1 ATOM 117 C CD2 . PHE A 1 13 ? 7.003 -1.524 0.237 1.00 90.08 13 A 1 ATOM 118 C CE1 . PHE A 1 13 ? 9.334 -1.227 1.705 1.00 89.83 13 A 1 ATOM 119 C CE2 . PHE A 1 13 ? 8.013 -2.476 0.140 1.00 89.32 13 A 1 ATOM 120 C CZ . PHE A 1 13 ? 9.180 -2.328 0.876 1.00 89.92 13 A 1 ATOM 121 N N . THR A 1 14 ? 5.361 1.608 -1.776 1.00 95.79 14 A 1 ATOM 122 C CA . THR A 1 14 ? 5.325 1.367 -3.222 1.00 95.41 14 A 1 ATOM 123 C C . THR A 1 14 ? 6.035 2.494 -3.973 1.00 95.40 14 A 1 ATOM 124 O O . THR A 1 14 ? 6.731 2.252 -4.959 1.00 93.45 14 A 1 ATOM 125 C CB . THR A 1 14 ? 3.875 1.243 -3.718 1.00 93.93 14 A 1 ATOM 126 O OG1 . THR A 1 14 ? 3.209 0.196 -3.012 1.00 88.26 14 A 1 ATOM 127 C CG2 . THR A 1 14 ? 3.829 0.922 -5.202 1.00 87.83 14 A 1 ATOM 128 N N . GLY A 1 15 ? 5.878 3.724 -3.516 1.00 94.80 15 A 1 ATOM 129 C CA . GLY A 1 15 ? 6.541 4.867 -4.129 1.00 94.10 15 A 1 ATOM 130 C C . GLY A 1 15 ? 8.053 4.767 -4.027 1.00 94.78 15 A 1 ATOM 131 O O . GLY A 1 15 ? 8.769 5.044 -4.993 1.00 93.42 15 A 1 ATOM 132 N N . ASN A 1 16 ? 8.549 4.368 -2.862 1.00 92.00 16 A 1 ATOM 133 C CA . ASN A 1 16 ? 9.983 4.192 -2.643 1.00 92.35 16 A 1 ATOM 134 C C . ASN A 1 16 ? 10.520 2.985 -3.404 1.00 93.11 16 A 1 ATOM 135 O O . ASN A 1 16 ? 11.667 2.991 -3.857 1.00 91.80 16 A 1 ATOM 136 C CB . ASN A 1 16 ? 10.270 4.021 -1.148 1.00 90.17 16 A 1 ATOM 137 C CG . ASN A 1 16 ? 10.013 5.294 -0.376 1.00 85.41 16 A 1 ATOM 138 O OD1 . ASN A 1 16 ? 9.902 6.378 -0.936 1.00 80.16 16 A 1 ATOM 139 N ND2 . ASN A 1 16 ? 9.931 5.180 0.937 1.00 78.46 16 A 1 ATOM 140 N N . TYR A 1 17 ? 9.690 1.941 -3.547 1.00 92.35 17 A 1 ATOM 141 C CA . TYR A 1 17 ? 10.065 0.723 -4.265 1.00 91.66 17 A 1 ATOM 142 C C . TYR A 1 17 ? 10.291 1.007 -5.748 1.00 92.09 17 A 1 ATOM 143 O O . TYR A 1 17 ? 11.175 0.416 -6.375 1.00 90.76 17 A 1 ATOM 144 C CB . TYR A 1 17 ? 8.965 -0.331 -4.084 1.00 89.92 17 A 1 ATOM 145 C CG . TYR A 1 17 ? 9.205 -1.613 -4.849 1.00 87.75 17 A 1 ATOM 146 C CD1 . TYR A 1 17 ? 8.731 -1.770 -6.147 1.00 86.74 17 A 1 ATOM 147 C CD2 . TYR A 1 17 ? 9.906 -2.662 -4.268 1.00 86.45 17 A 1 ATOM 148 C CE1 . TYR A 1 17 ? 8.955 -2.943 -6.849 1.00 84.23 17 A 1 ATOM 149 C CE2 . TYR A 1 17 ? 10.134 -3.841 -4.967 1.00 85.02 17 A 1 ATOM 150 C CZ . TYR A 1 17 ? 9.655 -3.971 -6.255 1.00 85.18 17 A 1 ATOM 151 O OH . TYR A 1 17 ? 9.878 -5.134 -6.954 1.00 82.10 17 A 1 ATOM 152 N N . SER A 1 18 ? 9.508 1.909 -6.323 1.00 91.77 18 A 1 ATOM 153 C CA . SER A 1 18 ? 9.613 2.264 -7.736 1.00 90.98 18 A 1 ATOM 154 C C . SER A 1 18 ? 10.766 3.230 -7.997 1.00 90.71 18 A 1 ATOM 155 O O . SER A 1 18 ? 11.224 3.357 -9.134 1.00 87.52 18 A 1 ATOM 156 C CB . SER A 1 18 ? 8.300 2.881 -8.221 1.00 87.79 18 A 1 ATOM 157 O OG . SER A 1 18 ? 7.232 1.958 -8.095 1.00 79.81 18 A 1 ATOM 158 N N . ALA A 1 19 ? 11.238 3.910 -6.958 1.00 88.73 19 A 1 ATOM 159 C CA . ALA A 1 19 ? 12.326 4.883 -7.078 1.00 87.31 19 A 1 ATOM 160 C C . ALA A 1 19 ? 13.680 4.169 -7.067 1.00 84.26 19 A 1 ATOM 161 O O . ALA A 1 19 ? 14.392 4.209 -8.084 1.00 79.92 19 A 1 ATOM 162 C CB . ALA A 1 19 ? 12.239 5.905 -5.949 1.00 81.73 19 A 1 ATOM 163 O OXT . ALA A 1 19 ? 14.032 3.589 -6.043 1.00 73.86 19 A 1 #