# 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_spkb09437 # _entry.id spkb09437 # 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" "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" "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 ASN 2 1 n ARG 3 1 n CYS 4 1 n TRP 5 1 n ALA 6 1 n LEU 7 1 n PHE 8 1 n LEU 9 1 n SER 10 1 n LEU 11 1 n CYS 12 1 n CYS 13 1 n TYR 14 1 n LEU 15 1 n ARG 16 1 n LEU 17 1 n VAL 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 @ 2025-07-10 08:36:20)" _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 88.25 _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 75.44 1 1 A ASN 2 2 79.86 1 2 A ARG 3 2 78.27 1 3 A CYS 4 2 90.47 1 4 A TRP 5 2 85.64 1 5 A ALA 6 2 94.16 1 6 A LEU 7 2 90.47 1 7 A PHE 8 2 91.80 1 8 A LEU 9 2 90.21 1 9 A SER 10 2 93.10 1 10 A LEU 11 2 91.16 1 11 A CYS 12 2 92.51 1 12 A CYS 13 2 93.69 1 13 A TYR 14 2 91.88 1 14 A LEU 15 2 93.58 1 15 A ARG 16 2 85.82 1 16 A LEU 17 2 91.93 1 17 A VAL 18 2 91.98 1 18 A SER 19 2 88.64 1 19 A ALA 20 2 83.70 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 ASN . 2 A 2 A 3 1 n ARG . 3 A 3 A 4 1 n CYS . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n ALA . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n TYR . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n ARG . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n VAL . 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 ? -6.203 13.827 -2.086 1.00 81.63 1 A 1 ATOM 2 C CA . MET A 1 1 ? -6.080 12.384 -1.820 1.00 83.37 1 A 1 ATOM 3 C C . MET A 1 1 ? -5.584 12.122 -0.403 1.00 86.09 1 A 1 ATOM 4 O O . MET A 1 1 ? -4.904 12.962 0.183 1.00 80.97 1 A 1 ATOM 5 C CB . MET A 1 1 ? -5.106 11.747 -2.805 1.00 77.09 1 A 1 ATOM 6 C CG . MET A 1 1 ? -5.565 11.844 -4.243 1.00 70.22 1 A 1 ATOM 7 S SD . MET A 1 1 ? -4.384 11.101 -5.381 1.00 66.21 1 A 1 ATOM 8 C CE . MET A 1 1 ? -4.097 12.458 -6.493 1.00 57.98 1 A 1 ATOM 9 N N . ASN A 1 2 ? -5.916 10.984 0.148 1.00 81.97 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -5.513 10.616 1.498 1.00 86.31 2 A 1 ATOM 11 C C . ASN A 1 2 ? -4.136 9.965 1.511 1.00 88.64 2 A 1 ATOM 12 O O . ASN A 1 2 ? -3.870 9.058 0.723 1.00 85.38 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -6.531 9.667 2.104 1.00 80.92 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -7.877 10.326 2.297 1.00 74.19 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -7.964 11.496 2.632 1.00 69.81 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -8.937 9.565 2.084 1.00 71.69 2 A 1 ATOM 17 N N . ARG A 1 3 ? -3.275 10.433 2.413 1.00 87.74 3 A 1 ATOM 18 C CA . ARG A 1 3 ? -1.926 9.878 2.542 1.00 89.78 3 A 1 ATOM 19 C C . ARG A 1 3 ? -1.981 8.465 3.112 1.00 91.50 3 A 1 ATOM 20 O O . ARG A 1 3 ? -1.254 7.581 2.662 1.00 89.02 3 A 1 ATOM 21 C CB . ARG A 1 3 ? -1.078 10.775 3.445 1.00 87.19 3 A 1 ATOM 22 C CG . ARG A 1 3 ? -0.127 11.662 2.680 1.00 78.54 3 A 1 ATOM 23 C CD . ARG A 1 3 ? 1.180 10.937 2.369 1.00 76.95 3 A 1 ATOM 24 N NE . ARG A 1 3 ? 2.041 10.851 3.554 1.00 70.78 3 A 1 ATOM 25 C CZ . ARG A 1 3 ? 3.283 10.386 3.527 1.00 67.98 3 A 1 ATOM 26 N NH1 . ARG A 1 3 ? 3.817 9.948 2.400 1.00 62.16 3 A 1 ATOM 27 N NH2 . ARG A 1 3 ? 4.003 10.349 4.637 1.00 59.28 3 A 1 ATOM 28 N N . CYS A 1 4 ? -2.860 8.267 4.086 1.00 91.47 4 A 1 ATOM 29 C CA . CYS A 1 4 ? -3.032 6.961 4.710 1.00 93.01 4 A 1 ATOM 30 C C . CYS A 1 4 ? -3.569 5.939 3.715 1.00 94.16 4 A 1 ATOM 31 O O . CYS A 1 4 ? -3.211 4.766 3.760 1.00 92.37 4 A 1 ATOM 32 C CB . CYS A 1 4 ? -3.977 7.080 5.900 1.00 90.15 4 A 1 ATOM 33 S SG . CYS A 1 4 ? -3.332 8.172 7.189 1.00 81.68 4 A 1 ATOM 34 N N . TRP A 1 5 ? -4.425 6.410 2.805 1.00 91.73 5 A 1 ATOM 35 C CA . TRP A 1 5 ? -5.007 5.542 1.791 1.00 92.02 5 A 1 ATOM 36 C C . TRP A 1 5 ? -3.923 5.033 0.847 1.00 93.18 5 A 1 ATOM 37 O O . TRP A 1 5 ? -3.863 3.845 0.534 1.00 92.25 5 A 1 ATOM 38 C CB . TRP A 1 5 ? -6.079 6.288 0.999 1.00 91.34 5 A 1 ATOM 39 C CG . TRP A 1 5 ? -7.089 5.370 0.391 1.00 87.18 5 A 1 ATOM 40 C CD1 . TRP A 1 5 ? -8.193 4.872 0.995 1.00 82.48 5 A 1 ATOM 41 C CD2 . TRP A 1 5 ? -7.089 4.825 -0.948 1.00 85.90 5 A 1 ATOM 42 N NE1 . TRP A 1 5 ? -8.878 4.051 0.128 1.00 81.31 5 A 1 ATOM 43 C CE2 . TRP A 1 5 ? -8.226 4.002 -1.073 1.00 85.38 5 A 1 ATOM 44 C CE3 . TRP A 1 5 ? -6.239 4.957 -2.040 1.00 79.76 5 A 1 ATOM 45 C CZ2 . TRP A 1 5 ? -8.521 3.320 -2.256 1.00 81.50 5 A 1 ATOM 46 C CZ3 . TRP A 1 5 ? -6.531 4.276 -3.220 1.00 77.42 5 A 1 ATOM 47 C CH2 . TRP A 1 5 ? -7.663 3.467 -3.317 1.00 77.51 5 A 1 ATOM 48 N N . ALA A 1 6 ? -3.068 5.938 0.396 1.00 94.40 6 A 1 ATOM 49 C CA . ALA A 1 6 ? -1.974 5.581 -0.502 1.00 94.50 6 A 1 ATOM 50 C C . ALA A 1 6 ? -0.997 4.631 0.180 1.00 95.08 6 A 1 ATOM 51 O O . ALA A 1 6 ? -0.475 3.710 -0.448 1.00 93.65 6 A 1 ATOM 52 C CB . ALA A 1 6 ? -1.244 6.839 -0.956 1.00 93.15 6 A 1 ATOM 53 N N . LEU A 1 7 ? -0.757 4.862 1.459 1.00 94.09 7 A 1 ATOM 54 C CA . LEU A 1 7 ? 0.136 4.017 2.243 1.00 94.18 7 A 1 ATOM 55 C C . LEU A 1 7 ? -0.430 2.608 2.364 1.00 94.94 7 A 1 ATOM 56 O O . LEU A 1 7 ? 0.297 1.621 2.223 1.00 94.10 7 A 1 ATOM 57 C CB . LEU A 1 7 ? 0.337 4.618 3.635 1.00 94.10 7 A 1 ATOM 58 C CG . LEU A 1 7 ? 1.283 3.830 4.541 1.00 87.13 7 A 1 ATOM 59 C CD1 . LEU A 1 7 ? 2.713 3.904 4.018 1.00 82.10 7 A 1 ATOM 60 C CD2 . LEU A 1 7 ? 1.210 4.359 5.961 1.00 83.09 7 A 1 ATOM 61 N N . PHE A 1 8 ? -1.725 2.523 2.627 1.00 95.02 8 A 1 ATOM 62 C CA . PHE A 1 8 ? -2.411 1.243 2.755 1.00 94.83 8 A 1 ATOM 63 C C . PHE A 1 8 ? -2.347 0.457 1.453 1.00 95.17 8 A 1 ATOM 64 O O . PHE A 1 8 ? -2.063 -0.743 1.452 1.00 94.51 8 A 1 ATOM 65 C CB . PHE A 1 8 ? -3.868 1.479 3.158 1.00 94.58 8 A 1 ATOM 66 C CG . PHE A 1 8 ? -4.674 0.210 3.228 1.00 92.08 8 A 1 ATOM 67 C CD1 . PHE A 1 8 ? -4.496 -0.685 4.271 1.00 89.40 8 A 1 ATOM 68 C CD2 . PHE A 1 8 ? -5.605 -0.089 2.244 1.00 89.28 8 A 1 ATOM 69 C CE1 . PHE A 1 8 ? -5.235 -1.858 4.327 1.00 88.16 8 A 1 ATOM 70 C CE2 . PHE A 1 8 ? -6.342 -1.265 2.301 1.00 88.38 8 A 1 ATOM 71 C CZ . PHE A 1 8 ? -6.156 -2.147 3.343 1.00 88.39 8 A 1 ATOM 72 N N . LEU A 1 9 ? -2.619 1.136 0.348 1.00 94.34 9 A 1 ATOM 73 C CA . LEU A 1 9 ? -2.589 0.507 -0.969 1.00 93.75 9 A 1 ATOM 74 C C . LEU A 1 9 ? -1.180 0.041 -1.317 1.00 94.42 9 A 1 ATOM 75 O O . LEU A 1 9 ? -0.989 -1.039 -1.877 1.00 93.98 9 A 1 ATOM 76 C CB . LEU A 1 9 ? -3.106 1.486 -2.033 1.00 93.43 9 A 1 ATOM 77 C CG . LEU A 1 9 ? -4.543 1.230 -2.491 1.00 86.55 9 A 1 ATOM 78 C CD1 . LEU A 1 9 ? -4.620 -0.082 -3.254 1.00 82.52 9 A 1 ATOM 79 C CD2 . LEU A 1 9 ? -5.482 1.207 -1.295 1.00 82.67 9 A 1 ATOM 80 N N . SER A 1 10 ? -0.196 0.872 -0.989 1.00 94.91 10 A 1 ATOM 81 C CA . SER A 1 10 ? 1.201 0.553 -1.261 1.00 95.08 10 A 1 ATOM 82 C C . SER A 1 10 ? 1.640 -0.683 -0.477 1.00 95.50 10 A 1 ATOM 83 O O . SER A 1 10 ? 2.324 -1.555 -1.014 1.00 94.56 10 A 1 ATOM 84 C CB . SER A 1 10 ? 2.093 1.741 -0.898 1.00 94.53 10 A 1 ATOM 85 O OG . SER A 1 10 ? 3.422 1.507 -1.312 1.00 84.02 10 A 1 ATOM 86 N N . LEU A 1 11 ? 1.232 -0.753 0.777 1.00 94.47 11 A 1 ATOM 87 C CA . LEU A 1 11 ? 1.577 -1.882 1.639 1.00 94.30 11 A 1 ATOM 88 C C . LEU A 1 11 ? 0.927 -3.167 1.139 1.00 95.29 11 A 1 ATOM 89 O O . LEU A 1 11 ? 1.568 -4.221 1.082 1.00 94.66 11 A 1 ATOM 90 C CB . LEU A 1 11 ? 1.132 -1.587 3.078 1.00 94.09 11 A 1 ATOM 91 C CG . LEU A 1 11 ? 2.243 -1.721 4.118 1.00 88.68 11 A 1 ATOM 92 C CD1 . LEU A 1 11 ? 1.839 -1.051 5.429 1.00 83.19 11 A 1 ATOM 93 C CD2 . LEU A 1 11 ? 2.579 -3.182 4.359 1.00 84.58 11 A 1 ATOM 94 N N . CYS A 1 12 ? -0.337 -3.074 0.767 1.00 94.22 12 A 1 ATOM 95 C CA . CYS A 1 12 ? -1.078 -4.222 0.260 1.00 93.73 12 A 1 ATOM 96 C C . CYS A 1 12 ? -0.457 -4.737 -1.036 1.00 94.54 12 A 1 ATOM 97 O O . CYS A 1 12 ? -0.312 -5.945 -1.233 1.00 93.14 12 A 1 ATOM 98 C CB . CYS A 1 12 ? -2.542 -3.840 0.025 1.00 92.46 12 A 1 ATOM 99 S SG . CYS A 1 12 ? -3.576 -5.276 -0.315 1.00 86.98 12 A 1 ATOM 100 N N . CYS A 1 13 ? -0.087 -3.812 -1.910 1.00 94.56 13 A 1 ATOM 101 C CA . CYS A 1 13 ? 0.533 -4.160 -3.184 1.00 94.68 13 A 1 ATOM 102 C C . CYS A 1 13 ? 1.907 -4.790 -2.957 1.00 95.48 13 A 1 ATOM 103 O O . CYS A 1 13 ? 2.290 -5.734 -3.650 1.00 94.08 13 A 1 ATOM 104 C CB . CYS A 1 13 ? 0.664 -2.916 -4.067 1.00 93.78 13 A 1 ATOM 105 S SG . CYS A 1 13 ? 1.071 -3.309 -5.774 1.00 89.58 13 A 1 ATOM 106 N N . TYR A 1 14 ? 2.629 -4.257 -1.991 1.00 94.20 14 A 1 ATOM 107 C CA . TYR A 1 14 ? 3.957 -4.763 -1.657 1.00 94.82 14 A 1 ATOM 108 C C . TYR A 1 14 ? 3.874 -6.215 -1.190 1.00 95.57 14 A 1 ATOM 109 O O . TYR A 1 14 ? 4.667 -7.062 -1.607 1.00 94.43 14 A 1 ATOM 110 C CB . TYR A 1 14 ? 4.585 -3.896 -0.566 1.00 94.51 14 A 1 ATOM 111 C CG . TYR A 1 14 ? 6.015 -4.285 -0.253 1.00 92.07 14 A 1 ATOM 112 C CD1 . TYR A 1 14 ? 7.053 -3.922 -1.105 1.00 90.00 14 A 1 ATOM 113 C CD2 . TYR A 1 14 ? 6.319 -5.008 0.892 1.00 89.95 14 A 1 ATOM 114 C CE1 . TYR A 1 14 ? 8.363 -4.278 -0.817 1.00 88.77 14 A 1 ATOM 115 C CE2 . TYR A 1 14 ? 7.630 -5.367 1.181 1.00 89.37 14 A 1 ATOM 116 C CZ . TYR A 1 14 ? 8.645 -5.000 0.325 1.00 89.92 14 A 1 ATOM 117 O OH . TYR A 1 14 ? 9.940 -5.357 0.608 1.00 88.94 14 A 1 ATOM 118 N N . LEU A 1 15 ? 2.913 -6.499 -0.329 1.00 95.87 15 A 1 ATOM 119 C CA . LEU A 1 15 ? 2.722 -7.853 0.183 1.00 95.67 15 A 1 ATOM 120 C C . LEU A 1 15 ? 2.299 -8.800 -0.932 1.00 96.17 15 A 1 ATOM 121 O O . LEU A 1 15 ? 2.670 -9.978 -0.931 1.00 94.92 15 A 1 ATOM 122 C CB . LEU A 1 15 ? 1.661 -7.843 1.290 1.00 95.60 15 A 1 ATOM 123 C CG . LEU A 1 15 ? 2.077 -7.116 2.565 1.00 93.46 15 A 1 ATOM 124 C CD1 . LEU A 1 15 ? 0.874 -6.910 3.477 1.00 88.21 15 A 1 ATOM 125 C CD2 . LEU A 1 15 ? 3.159 -7.896 3.304 1.00 88.74 15 A 1 ATOM 126 N N . ARG A 1 16 ? 1.528 -8.283 -1.875 1.00 94.88 16 A 1 ATOM 127 C CA . ARG A 1 16 ? 1.056 -9.079 -3.006 1.00 94.54 16 A 1 ATOM 128 C C . ARG A 1 16 ? 2.211 -9.477 -3.915 1.00 95.18 16 A 1 ATOM 129 O O . ARG A 1 16 ? 2.314 -10.635 -4.322 1.00 93.48 16 A 1 ATOM 130 C CB . ARG A 1 16 ? 0.018 -8.292 -3.808 1.00 93.79 16 A 1 ATOM 131 C CG . ARG A 1 16 ? -1.385 -8.412 -3.238 1.00 86.00 16 A 1 ATOM 132 C CD . ARG A 1 16 ? -1.986 -9.750 -3.609 1.00 85.10 16 A 1 ATOM 133 N NE . ARG A 1 16 ? -3.354 -9.893 -3.094 1.00 81.21 16 A 1 ATOM 134 C CZ . ARG A 1 16 ? -4.418 -9.402 -3.712 1.00 76.47 16 A 1 ATOM 135 N NH1 . ARG A 1 16 ? -4.307 -8.740 -4.852 1.00 71.54 16 A 1 ATOM 136 N NH2 . ARG A 1 16 ? -5.617 -9.575 -3.176 1.00 71.85 16 A 1 ATOM 137 N N . LEU A 1 17 ? 3.070 -8.513 -4.243 1.00 95.43 17 A 1 ATOM 138 C CA . LEU A 1 17 ? 4.199 -8.794 -5.127 1.00 95.11 17 A 1 ATOM 139 C C . LEU A 1 17 ? 5.265 -9.629 -4.422 1.00 95.38 17 A 1 ATOM 140 O O . LEU A 1 17 ? 5.970 -10.415 -5.064 1.00 94.01 17 A 1 ATOM 141 C CB . LEU A 1 17 ? 4.792 -7.479 -5.656 1.00 94.84 17 A 1 ATOM 142 C CG . LEU A 1 17 ? 5.511 -6.624 -4.618 1.00 90.99 17 A 1 ATOM 143 C CD1 . LEU A 1 17 ? 7.013 -6.906 -4.643 1.00 85.05 17 A 1 ATOM 144 C CD2 . LEU A 1 17 ? 5.266 -5.154 -4.899 1.00 84.62 17 A 1 ATOM 145 N N . VAL A 1 18 ? 5.393 -9.462 -3.106 1.00 95.68 18 A 1 ATOM 146 C CA . VAL A 1 18 ? 6.364 -10.224 -2.319 1.00 95.02 18 A 1 ATOM 147 C C . VAL A 1 18 ? 5.949 -11.690 -2.231 1.00 95.10 18 A 1 ATOM 148 O O . VAL A 1 18 ? 6.797 -12.592 -2.254 1.00 92.78 18 A 1 ATOM 149 C CB . VAL A 1 18 ? 6.524 -9.630 -0.903 1.00 93.36 18 A 1 ATOM 150 C CG1 . VAL A 1 18 ? 7.274 -10.589 0.014 1.00 85.50 18 A 1 ATOM 151 C CG2 . VAL A 1 18 ? 7.263 -8.311 -0.967 1.00 86.41 18 A 1 ATOM 152 N N . SER A 1 19 ? 4.659 -11.921 -2.131 1.00 93.68 19 A 1 ATOM 153 C CA . SER A 1 19 ? 4.106 -13.268 -2.037 1.00 92.69 19 A 1 ATOM 154 C C . SER A 1 19 ? 3.493 -13.705 -3.368 1.00 91.72 19 A 1 ATOM 155 O O . SER A 1 19 ? 2.500 -14.440 -3.391 1.00 86.59 19 A 1 ATOM 156 C CB . SER A 1 19 ? 3.052 -13.325 -0.930 1.00 89.57 19 A 1 ATOM 157 O OG . SER A 1 19 ? 2.733 -14.666 -0.610 1.00 77.58 19 A 1 ATOM 158 N N . ALA A 1 20 ? 4.099 -13.254 -4.463 1.00 90.68 20 A 1 ATOM 159 C CA . ALA A 1 20 ? 3.606 -13.567 -5.804 1.00 88.69 20 A 1 ATOM 160 C C . ALA A 1 20 ? 3.954 -15.009 -6.203 1.00 85.48 20 A 1 ATOM 161 O O . ALA A 1 20 ? 3.525 -15.464 -7.269 1.00 80.52 20 A 1 ATOM 162 C CB . ALA A 1 20 ? 4.179 -12.575 -6.811 1.00 84.15 20 A 1 ATOM 163 O OXT . ALA A 1 20 ? 4.670 -15.694 -5.478 1.00 72.66 20 A 1 #