# 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_spkb27409 # _entry.id spkb27409 # 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 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[C@@H](C(=O)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 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" "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 THR 2 1 n ASN 3 1 n THR 4 1 n TRP 5 1 n ASN 6 1 n ARG 7 1 n LEU 8 1 n ALA 9 1 n LEU 10 1 n LEU 11 1 n ILE 12 1 n PHE 13 1 n ALA 14 1 n VAL 15 1 n LEU 16 1 n SER 17 1 n LEU 18 1 n LEU 19 1 n VAL 20 1 n ALA 21 1 n GLY 22 1 n GLU 23 1 n LEU 24 1 n GLN 25 1 n ALA 26 # _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 @ 2025-07-12 16:30:48)" _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 92.89 _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 82.54 1 1 A THR 2 2 88.74 1 2 A ASN 3 2 88.72 1 3 A THR 4 2 93.67 1 4 A TRP 5 2 89.98 1 5 A ASN 6 2 94.39 1 6 A ARG 7 2 88.87 1 7 A LEU 8 2 95.20 1 8 A ALA 9 2 98.26 1 9 A LEU 10 2 95.21 1 10 A LEU 11 2 95.02 1 11 A ILE 12 2 97.34 1 12 A PHE 13 2 95.36 1 13 A ALA 14 2 98.32 1 14 A VAL 15 2 97.62 1 15 A LEU 16 2 96.08 1 16 A SER 17 2 96.12 1 17 A LEU 18 2 95.64 1 18 A LEU 19 2 95.62 1 19 A VAL 20 2 96.90 1 20 A ALA 21 2 97.75 1 21 A GLY 22 2 97.20 1 22 A GLU 23 2 89.57 1 23 A LEU 24 2 92.32 1 24 A GLN 25 2 83.95 1 25 A ALA 26 2 86.92 1 26 # _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 THR . 2 A 2 A 3 1 n ASN . 3 A 3 A 4 1 n THR . 4 A 4 A 5 1 n TRP . 5 A 5 A 6 1 n ASN . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n ALA . 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 PHE . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n LEU . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n VAL . 20 A 20 A 21 1 n ALA . 21 A 21 A 22 1 n GLY . 22 A 22 A 23 1 n GLU . 23 A 23 A 24 1 n LEU . 24 A 24 A 25 1 n GLN . 25 A 25 A 26 1 n ALA . 26 A 26 # _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 ? -15.978 8.857 -5.131 1.00 89.76 1 A 1 ATOM 2 C CA . MET A 1 1 ? -15.548 7.587 -4.504 1.00 90.92 1 A 1 ATOM 3 C C . MET A 1 1 ? -14.127 7.182 -4.895 1.00 91.86 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.378 6.754 -4.031 1.00 87.68 1 A 1 ATOM 5 C CB . MET A 1 1 ? -16.542 6.462 -4.807 1.00 84.42 1 A 1 ATOM 6 C CG . MET A 1 1 ? -17.607 6.391 -3.705 1.00 78.52 1 A 1 ATOM 7 S SD . MET A 1 1 ? -18.959 5.265 -4.097 1.00 72.24 1 A 1 ATOM 8 C CE . MET A 1 1 ? -19.751 5.133 -2.489 1.00 64.89 1 A 1 ATOM 9 N N . THR A 1 2 ? -13.728 7.381 -6.139 1.00 92.81 2 A 1 ATOM 10 C CA . THR A 1 2 ? -12.395 6.988 -6.641 1.00 93.33 2 A 1 ATOM 11 C C . THR A 1 2 ? -11.239 7.630 -5.867 1.00 94.55 2 A 1 ATOM 12 O O . THR A 1 2 ? -10.232 6.977 -5.601 1.00 92.28 2 A 1 ATOM 13 C CB . THR A 1 2 ? -12.276 7.350 -8.124 1.00 89.22 2 A 1 ATOM 14 O OG1 . THR A 1 2 ? -13.534 7.200 -8.763 1.00 80.70 2 A 1 ATOM 15 C CG2 . THR A 1 2 ? -11.276 6.479 -8.859 1.00 78.27 2 A 1 ATOM 16 N N . ASN A 1 3 ? -11.393 8.886 -5.418 1.00 93.64 3 A 1 ATOM 17 C CA . ASN A 1 3 ? -10.353 9.578 -4.649 1.00 94.50 3 A 1 ATOM 18 C C . ASN A 1 3 ? -10.114 8.958 -3.266 1.00 95.55 3 A 1 ATOM 19 O O . ASN A 1 3 ? -8.990 8.987 -2.765 1.00 94.19 3 A 1 ATOM 20 C CB . ASN A 1 3 ? -10.735 11.059 -4.507 1.00 91.10 3 A 1 ATOM 21 C CG . ASN A 1 3 ? -10.592 11.815 -5.816 1.00 84.31 3 A 1 ATOM 22 O OD1 . ASN A 1 3 ? -9.944 11.383 -6.745 1.00 79.09 3 A 1 ATOM 23 N ND2 . ASN A 1 3 ? -11.197 12.977 -5.912 1.00 77.39 3 A 1 ATOM 24 N N . THR A 1 4 ? -11.148 8.392 -2.643 1.00 96.38 4 A 1 ATOM 25 C CA . THR A 1 4 ? -11.035 7.740 -1.331 1.00 96.66 4 A 1 ATOM 26 C C . THR A 1 4 ? -10.234 6.450 -1.434 1.00 97.10 4 A 1 ATOM 27 O O . THR A 1 4 ? -9.344 6.220 -0.619 1.00 96.27 4 A 1 ATOM 28 C CB . THR A 1 4 ? -12.421 7.447 -0.745 1.00 95.39 4 A 1 ATOM 29 O OG1 . THR A 1 4 ? -13.242 8.588 -0.871 1.00 88.80 4 A 1 ATOM 30 C CG2 . THR A 1 4 ? -12.353 7.092 0.738 1.00 85.08 4 A 1 ATOM 31 N N . TRP A 1 5 ? -10.496 5.636 -2.467 1.00 96.44 5 A 1 ATOM 32 C CA . TRP A 1 5 ? -9.741 4.407 -2.725 1.00 96.49 5 A 1 ATOM 33 C C . TRP A 1 5 ? -8.279 4.705 -3.040 1.00 97.16 5 A 1 ATOM 34 O O . TRP A 1 5 ? -7.387 4.025 -2.535 1.00 96.69 5 A 1 ATOM 35 C CB . TRP A 1 5 ? -10.396 3.642 -3.875 1.00 95.59 5 A 1 ATOM 36 C CG . TRP A 1 5 ? -11.683 2.989 -3.495 1.00 92.66 5 A 1 ATOM 37 C CD1 . TRP A 1 5 ? -12.928 3.419 -3.812 1.00 87.21 5 A 1 ATOM 38 C CD2 . TRP A 1 5 ? -11.857 1.771 -2.717 1.00 89.81 5 A 1 ATOM 39 N NE1 . TRP A 1 5 ? -13.865 2.544 -3.280 1.00 86.12 5 A 1 ATOM 40 C CE2 . TRP A 1 5 ? -13.248 1.514 -2.601 1.00 89.06 5 A 1 ATOM 41 C CE3 . TRP A 1 5 ? -10.966 0.862 -2.110 1.00 82.88 5 A 1 ATOM 42 C CZ2 . TRP A 1 5 ? -13.744 0.393 -1.906 1.00 86.15 5 A 1 ATOM 43 C CZ3 . TRP A 1 5 ? -11.465 -0.256 -1.415 1.00 81.65 5 A 1 ATOM 44 C CH2 . TRP A 1 5 ? -12.840 -0.485 -1.316 1.00 81.86 5 A 1 ATOM 45 N N . ASN A 1 6 ? -8.006 5.762 -3.800 1.00 97.67 6 A 1 ATOM 46 C CA . ASN A 1 6 ? -6.643 6.152 -4.144 1.00 97.80 6 A 1 ATOM 47 C C . ASN A 1 6 ? -5.858 6.617 -2.908 1.00 98.14 6 A 1 ATOM 48 O O . ASN A 1 6 ? -4.699 6.257 -2.734 1.00 98.07 6 A 1 ATOM 49 C CB . ASN A 1 6 ? -6.704 7.231 -5.234 1.00 97.22 6 A 1 ATOM 50 C CG . ASN A 1 6 ? -5.523 7.142 -6.176 1.00 93.11 6 A 1 ATOM 51 O OD1 . ASN A 1 6 ? -4.961 6.098 -6.414 1.00 86.67 6 A 1 ATOM 52 N ND2 . ASN A 1 6 ? -5.134 8.245 -6.774 1.00 86.46 6 A 1 ATOM 53 N N . ARG A 1 7 ? -6.504 7.376 -1.998 1.00 97.61 7 A 1 ATOM 54 C CA . ARG A 1 7 ? -5.891 7.777 -0.721 1.00 97.81 7 A 1 ATOM 55 C C . ARG A 1 7 ? -5.636 6.581 0.193 1.00 98.25 7 A 1 ATOM 56 O O . ARG A 1 7 ? -4.564 6.503 0.785 1.00 98.11 7 A 1 ATOM 57 C CB . ARG A 1 7 ? -6.776 8.797 -0.001 1.00 97.54 7 A 1 ATOM 58 C CG . ARG A 1 7 ? -6.640 10.189 -0.620 1.00 92.88 7 A 1 ATOM 59 C CD . ARG A 1 7 ? -7.514 11.176 0.150 1.00 89.31 7 A 1 ATOM 60 N NE . ARG A 1 7 ? -7.326 12.548 -0.343 1.00 83.30 7 A 1 ATOM 61 C CZ . ARG A 1 7 ? -7.916 13.628 0.140 1.00 78.88 7 A 1 ATOM 62 N NH1 . ARG A 1 7 ? -8.775 13.560 1.126 1.00 72.75 7 A 1 ATOM 63 N NH2 . ARG A 1 7 ? -7.648 14.805 -0.362 1.00 71.18 7 A 1 ATOM 64 N N . LEU A 1 8 ? -6.585 5.650 0.279 1.00 97.61 8 A 1 ATOM 65 C CA . LEU A 1 8 ? -6.424 4.424 1.058 1.00 97.81 8 A 1 ATOM 66 C C . LEU A 1 8 ? -5.288 3.566 0.507 1.00 98.28 8 A 1 ATOM 67 O O . LEU A 1 8 ? -4.438 3.119 1.273 1.00 98.41 8 A 1 ATOM 68 C CB . LEU A 1 8 ? -7.753 3.654 1.069 1.00 97.61 8 A 1 ATOM 69 C CG . LEU A 1 8 ? -8.401 3.638 2.458 1.00 92.45 8 A 1 ATOM 70 C CD1 . LEU A 1 8 ? -9.915 3.770 2.358 1.00 89.50 8 A 1 ATOM 71 C CD2 . LEU A 1 8 ? -8.069 2.341 3.186 1.00 89.92 8 A 1 ATOM 72 N N . ALA A 1 9 ? -5.224 3.387 -0.810 1.00 98.12 9 A 1 ATOM 73 C CA . ALA A 1 9 ? -4.159 2.633 -1.461 1.00 98.28 9 A 1 ATOM 74 C C . ALA A 1 9 ? -2.783 3.272 -1.221 1.00 98.50 9 A 1 ATOM 75 O O . ALA A 1 9 ? -1.839 2.561 -0.886 1.00 98.38 9 A 1 ATOM 76 C CB . ALA A 1 9 ? -4.477 2.525 -2.955 1.00 98.00 9 A 1 ATOM 77 N N . LEU A 1 10 ? -2.674 4.598 -1.308 1.00 98.11 10 A 1 ATOM 78 C CA . LEU A 1 10 ? -1.427 5.316 -1.024 1.00 98.15 10 A 1 ATOM 79 C C . LEU A 1 10 ? -0.991 5.159 0.436 1.00 98.35 10 A 1 ATOM 80 O O . LEU A 1 10 ? 0.189 4.930 0.692 1.00 98.35 10 A 1 ATOM 81 C CB . LEU A 1 10 ? -1.602 6.803 -1.363 1.00 97.98 10 A 1 ATOM 82 C CG . LEU A 1 10 ? -1.505 7.109 -2.865 1.00 91.55 10 A 1 ATOM 83 C CD1 . LEU A 1 10 ? -1.991 8.535 -3.126 1.00 89.23 10 A 1 ATOM 84 C CD2 . LEU A 1 10 ? -0.065 6.990 -3.364 1.00 89.93 10 A 1 ATOM 85 N N . LEU A 1 11 ? -1.925 5.246 1.385 1.00 97.92 11 A 1 ATOM 86 C CA . LEU A 1 11 ? -1.622 5.055 2.804 1.00 98.02 11 A 1 ATOM 87 C C . LEU A 1 11 ? -1.157 3.629 3.093 1.00 98.32 11 A 1 ATOM 88 O O . LEU A 1 11 ? -0.134 3.445 3.749 1.00 98.43 11 A 1 ATOM 89 C CB . LEU A 1 11 ? -2.860 5.396 3.646 1.00 97.93 11 A 1 ATOM 90 C CG . LEU A 1 11 ? -3.080 6.905 3.830 1.00 91.01 11 A 1 ATOM 91 C CD1 . LEU A 1 11 ? -4.478 7.152 4.402 1.00 88.54 11 A 1 ATOM 92 C CD2 . LEU A 1 11 ? -2.053 7.511 4.790 1.00 90.00 11 A 1 ATOM 93 N N . ILE A 1 12 ? -1.866 2.632 2.575 1.00 98.18 12 A 1 ATOM 94 C CA . ILE A 1 12 ? -1.501 1.222 2.744 1.00 98.20 12 A 1 ATOM 95 C C . ILE A 1 12 ? -0.131 0.963 2.112 1.00 98.34 12 A 1 ATOM 96 O O . ILE A 1 12 ? 0.733 0.357 2.747 1.00 98.37 12 A 1 ATOM 97 C CB . ILE A 1 12 ? -2.594 0.311 2.152 1.00 98.10 12 A 1 ATOM 98 C CG1 . ILE A 1 12 ? -3.885 0.408 3.001 1.00 97.23 12 A 1 ATOM 99 C CG2 . ILE A 1 12 ? -2.127 -1.158 2.096 1.00 96.51 12 A 1 ATOM 100 C CD1 . ILE A 1 12 ? -5.113 -0.186 2.308 1.00 93.80 12 A 1 ATOM 101 N N . PHE A 1 13 ? 0.096 1.451 0.901 1.00 98.39 13 A 1 ATOM 102 C CA . PHE A 1 13 ? 1.372 1.284 0.209 1.00 98.31 13 A 1 ATOM 103 C C . PHE A 1 13 ? 2.520 1.963 0.965 1.00 98.43 13 A 1 ATOM 104 O O . PHE A 1 13 ? 3.583 1.364 1.122 1.00 98.13 13 A 1 ATOM 105 C CB . PHE A 1 13 ? 1.245 1.832 -1.213 1.00 97.95 13 A 1 ATOM 106 C CG . PHE A 1 13 ? 2.458 1.523 -2.058 1.00 95.87 13 A 1 ATOM 107 C CD1 . PHE A 1 13 ? 3.484 2.468 -2.208 1.00 92.94 13 A 1 ATOM 108 C CD2 . PHE A 1 13 ? 2.576 0.265 -2.668 1.00 93.47 13 A 1 ATOM 109 C CE1 . PHE A 1 13 ? 4.625 2.162 -2.967 1.00 91.47 13 A 1 ATOM 110 C CE2 . PHE A 1 13 ? 3.715 -0.042 -3.422 1.00 91.82 13 A 1 ATOM 111 C CZ . PHE A 1 13 ? 4.744 0.901 -3.571 1.00 92.17 13 A 1 ATOM 112 N N . ALA A 1 14 ? 2.306 3.167 1.491 1.00 98.42 14 A 1 ATOM 113 C CA . ALA A 1 14 ? 3.317 3.872 2.274 1.00 98.38 14 A 1 ATOM 114 C C . ALA A 1 14 ? 3.673 3.116 3.565 1.00 98.46 14 A 1 ATOM 115 O O . ALA A 1 14 ? 4.852 2.944 3.861 1.00 98.16 14 A 1 ATOM 116 C CB . ALA A 1 14 ? 2.809 5.287 2.577 1.00 98.19 14 A 1 ATOM 117 N N . VAL A 1 15 ? 2.675 2.618 4.293 1.00 98.11 15 A 1 ATOM 118 C CA . VAL A 1 15 ? 2.892 1.846 5.527 1.00 98.08 15 A 1 ATOM 119 C C . VAL A 1 15 ? 3.612 0.533 5.232 1.00 98.14 15 A 1 ATOM 120 O O . VAL A 1 15 ? 4.594 0.214 5.900 1.00 97.82 15 A 1 ATOM 121 C CB . VAL A 1 15 ? 1.559 1.604 6.258 1.00 97.79 15 A 1 ATOM 122 C CG1 . VAL A 1 15 ? 1.706 0.650 7.447 1.00 96.85 15 A 1 ATOM 123 C CG2 . VAL A 1 15 ? 1.007 2.924 6.803 1.00 96.56 15 A 1 ATOM 124 N N . LEU A 1 16 ? 3.171 -0.201 4.216 1.00 98.23 16 A 1 ATOM 125 C CA . LEU A 1 16 ? 3.821 -1.450 3.814 1.00 98.11 16 A 1 ATOM 126 C C . LEU A 1 16 ? 5.253 -1.205 3.340 1.00 98.12 16 A 1 ATOM 127 O O . LEU A 1 16 ? 6.154 -1.936 3.740 1.00 97.94 16 A 1 ATOM 128 C CB . LEU A 1 16 ? 3.005 -2.133 2.708 1.00 97.88 16 A 1 ATOM 129 C CG . LEU A 1 16 ? 1.696 -2.773 3.197 1.00 94.19 16 A 1 ATOM 130 C CD1 . LEU A 1 16 ? 0.888 -3.244 1.991 1.00 91.81 16 A 1 ATOM 131 C CD2 . LEU A 1 16 ? 1.945 -3.972 4.109 1.00 92.37 16 A 1 ATOM 132 N N . SER A 1 17 ? 5.493 -0.168 2.558 1.00 97.95 17 A 1 ATOM 133 C CA . SER A 1 17 ? 6.838 0.187 2.099 1.00 97.87 17 A 1 ATOM 134 C C . SER A 1 17 ? 7.750 0.556 3.266 1.00 97.97 17 A 1 ATOM 135 O O . SER A 1 17 ? 8.909 0.159 3.275 1.00 97.34 17 A 1 ATOM 136 C CB . SER A 1 17 ? 6.797 1.353 1.114 1.00 97.43 17 A 1 ATOM 137 O OG . SER A 1 17 ? 6.041 1.016 -0.028 1.00 88.19 17 A 1 ATOM 138 N N . LEU A 1 18 ? 7.234 1.268 4.268 1.00 97.98 18 A 1 ATOM 139 C CA . LEU A 1 18 ? 7.996 1.626 5.462 1.00 97.81 18 A 1 ATOM 140 C C . LEU A 1 18 ? 8.348 0.392 6.298 1.00 97.89 18 A 1 ATOM 141 O O . LEU A 1 18 ? 9.483 0.270 6.753 1.00 97.44 18 A 1 ATOM 142 C CB . LEU A 1 18 ? 7.182 2.636 6.287 1.00 97.59 18 A 1 ATOM 143 C CG . LEU A 1 18 ? 8.046 3.406 7.298 1.00 93.64 18 A 1 ATOM 144 C CD1 . LEU A 1 18 ? 8.713 4.611 6.632 1.00 90.97 18 A 1 ATOM 145 C CD2 . LEU A 1 18 ? 7.187 3.909 8.455 1.00 91.82 18 A 1 ATOM 146 N N . LEU A 1 19 ? 7.400 -0.529 6.468 1.00 97.98 19 A 1 ATOM 147 C CA . LEU A 1 19 ? 7.623 -1.787 7.183 1.00 97.69 19 A 1 ATOM 148 C C . LEU A 1 19 ? 8.660 -2.653 6.468 1.00 97.71 19 A 1 ATOM 149 O O . LEU A 1 19 ? 9.623 -3.087 7.094 1.00 97.39 19 A 1 ATOM 150 C CB . LEU A 1 19 ? 6.290 -2.540 7.321 1.00 97.45 19 A 1 ATOM 151 C CG . LEU A 1 19 ? 5.382 -1.980 8.428 1.00 93.84 19 A 1 ATOM 152 C CD1 . LEU A 1 19 ? 3.957 -2.508 8.253 1.00 90.89 19 A 1 ATOM 153 C CD2 . LEU A 1 19 ? 5.878 -2.387 9.816 1.00 91.99 19 A 1 ATOM 154 N N . VAL A 1 20 ? 8.502 -2.847 5.162 1.00 97.90 20 A 1 ATOM 155 C CA . VAL A 1 20 ? 9.441 -3.638 4.353 1.00 97.67 20 A 1 ATOM 156 C C . VAL A 1 20 ? 10.824 -2.987 4.337 1.00 97.68 20 A 1 ATOM 157 O O . VAL A 1 20 ? 11.821 -3.681 4.516 1.00 97.10 20 A 1 ATOM 158 C CB . VAL A 1 20 ? 8.898 -3.832 2.929 1.00 97.05 20 A 1 ATOM 159 C CG1 . VAL A 1 20 ? 9.915 -4.493 1.998 1.00 95.15 20 A 1 ATOM 160 C CG2 . VAL A 1 20 ? 7.652 -4.718 2.945 1.00 95.75 20 A 1 ATOM 161 N N . ALA A 1 21 ? 10.906 -1.667 4.182 1.00 98.22 21 A 1 ATOM 162 C CA . ALA A 1 21 ? 12.183 -0.956 4.212 1.00 98.03 21 A 1 ATOM 163 C C . ALA A 1 21 ? 12.852 -1.050 5.588 1.00 98.01 21 A 1 ATOM 164 O O . ALA A 1 21 ? 14.058 -1.256 5.658 1.00 97.09 21 A 1 ATOM 165 C CB . ALA A 1 21 ? 11.958 0.504 3.805 1.00 97.41 21 A 1 ATOM 166 N N . GLY A 1 22 ? 12.079 -0.941 6.666 1.00 97.69 22 A 1 ATOM 167 C CA . GLY A 1 22 ? 12.594 -1.103 8.026 1.00 97.26 22 A 1 ATOM 168 C C . GLY A 1 22 ? 13.106 -2.514 8.293 1.00 97.41 22 A 1 ATOM 169 O O . GLY A 1 22 ? 14.154 -2.672 8.911 1.00 96.45 22 A 1 ATOM 170 N N . GLU A 1 23 ? 12.412 -3.526 7.781 1.00 96.53 23 A 1 ATOM 171 C CA . GLU A 1 23 ? 12.823 -4.925 7.945 1.00 96.44 23 A 1 ATOM 172 C C . GLU A 1 23 ? 14.012 -5.288 7.049 1.00 96.39 23 A 1 ATOM 173 O O . GLU A 1 23 ? 14.888 -6.039 7.465 1.00 94.81 23 A 1 ATOM 174 C CB . GLU A 1 23 ? 11.604 -5.824 7.701 1.00 95.99 23 A 1 ATOM 175 C CG . GLU A 1 23 ? 11.826 -7.241 8.237 1.00 88.91 23 A 1 ATOM 176 C CD . GLU A 1 23 ? 10.538 -7.908 8.759 1.00 83.31 23 A 1 ATOM 177 O OE1 . GLU A 1 23 ? 10.489 -9.152 8.766 1.00 76.21 23 A 1 ATOM 178 O OE2 . GLU A 1 23 ? 9.610 -7.178 9.172 1.00 77.57 23 A 1 ATOM 179 N N . LEU A 1 24 ? 14.094 -4.712 5.848 1.00 96.84 24 A 1 ATOM 180 C CA . LEU A 1 24 ? 15.215 -4.925 4.931 1.00 96.43 24 A 1 ATOM 181 C C . LEU A 1 24 ? 16.491 -4.202 5.384 1.00 96.31 24 A 1 ATOM 182 O O . LEU A 1 24 ? 17.589 -4.595 4.993 1.00 94.73 24 A 1 ATOM 183 C CB . LEU A 1 24 ? 14.825 -4.464 3.516 1.00 95.90 24 A 1 ATOM 184 C CG . LEU A 1 24 ? 15.262 -5.455 2.432 1.00 91.30 24 A 1 ATOM 185 C CD1 . LEU A 1 24 ? 14.109 -6.397 2.072 1.00 84.06 24 A 1 ATOM 186 C CD2 . LEU A 1 24 ? 15.700 -4.733 1.165 1.00 83.01 24 A 1 ATOM 187 N N . GLN A 1 25 ? 16.352 -3.131 6.170 1.00 94.56 25 A 1 ATOM 188 C CA . GLN A 1 25 ? 17.460 -2.312 6.665 1.00 93.05 25 A 1 ATOM 189 C C . GLN A 1 25 ? 17.897 -2.698 8.089 1.00 91.59 25 A 1 ATOM 190 O O . GLN A 1 25 ? 18.880 -2.154 8.592 1.00 86.95 25 A 1 ATOM 191 C CB . GLN A 1 25 ? 17.060 -0.836 6.534 1.00 90.32 25 A 1 ATOM 192 C CG . GLN A 1 25 ? 18.271 0.092 6.464 1.00 83.03 25 A 1 ATOM 193 C CD . GLN A 1 25 ? 17.909 1.530 6.093 1.00 77.43 25 A 1 ATOM 194 O OE1 . GLN A 1 25 ? 16.760 1.942 6.009 1.00 70.97 25 A 1 ATOM 195 N NE2 . GLN A 1 25 ? 18.893 2.365 5.854 1.00 67.67 25 A 1 ATOM 196 N N . ALA A 1 26 ? 17.179 -3.620 8.736 1.00 92.49 26 A 1 ATOM 197 C CA . ALA A 1 26 ? 17.534 -4.172 10.039 1.00 91.29 26 A 1 ATOM 198 C C . ALA A 1 26 ? 18.646 -5.220 9.925 1.00 88.10 26 A 1 ATOM 199 O O . ALA A 1 26 ? 18.679 -5.962 8.927 1.00 83.20 26 A 1 ATOM 200 C CB . ALA A 1 26 ? 16.280 -4.717 10.722 1.00 87.53 26 A 1 ATOM 201 O OXT . ALA A 1 26 ? 19.486 -5.265 10.853 1.00 78.90 26 A 1 #