# 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_spkb31441 # _entry.id spkb31441 # 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 H13 N O2" 131.173 LEU y LEUCINE CC(C)C[C@@H](C(=O)O)N ? "L-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" "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 LYS 2 1 n THR 3 1 n SER 4 1 n LYS 5 1 n LEU 6 1 n ASN 7 1 n PHE 8 1 n LEU 9 1 n THR 10 1 n LEU 11 1 n VAL 12 1 n ALA 13 1 n SER 14 1 n THR 15 1 n GLY 16 1 n LEU 17 1 n ALA 18 1 n LEU 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 @ 2025-07-11 14:24:32)" _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 89.71 _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 76.52 1 1 A LYS 2 2 79.20 1 2 A THR 3 2 85.25 1 3 A SER 4 2 89.47 1 4 A LYS 5 2 85.79 1 5 A LEU 6 2 87.69 1 6 A ASN 7 2 89.28 1 7 A PHE 8 2 88.63 1 8 A LEU 9 2 91.46 1 9 A THR 10 2 94.69 1 10 A LEU 11 2 92.98 1 11 A VAL 12 2 95.25 1 12 A ALA 13 2 96.62 1 13 A SER 14 2 94.03 1 14 A THR 15 2 94.30 1 15 A GLY 16 2 96.43 1 16 A LEU 17 2 93.06 1 17 A ALA 18 2 96.29 1 18 A LEU 19 2 91.95 1 19 A ALA 20 2 87.87 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 LYS . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n LYS . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n ASN . 7 A 7 A 8 1 n PHE . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n THR . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n SER . 14 A 14 A 15 1 n THR . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n LEU . 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 ? -13.198 4.071 9.460 1.00 81.93 1 A 1 ATOM 2 C CA . MET A 1 1 ? -11.915 4.231 8.748 1.00 84.76 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.111 4.087 7.239 1.00 86.65 1 A 1 ATOM 4 O O . MET A 1 1 ? -13.089 3.490 6.784 1.00 79.64 1 A 1 ATOM 5 C CB . MET A 1 1 ? -10.891 3.207 9.243 1.00 76.80 1 A 1 ATOM 6 C CG . MET A 1 1 ? -11.342 1.758 9.079 1.00 72.91 1 A 1 ATOM 7 S SD . MET A 1 1 ? -10.290 0.585 9.962 1.00 67.98 1 A 1 ATOM 8 C CE . MET A 1 1 ? -10.838 0.837 11.641 1.00 61.45 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.184 4.620 6.462 1.00 86.11 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -11.277 4.594 5.002 1.00 88.79 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.499 3.409 4.425 1.00 89.68 2 A 1 ATOM 12 O O . LYS A 1 2 ? -9.274 3.351 4.540 1.00 86.82 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -10.751 5.910 4.424 1.00 84.48 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -11.574 7.128 4.839 1.00 75.84 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -10.915 8.421 4.384 1.00 74.28 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -11.698 9.628 4.872 1.00 66.57 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -10.996 10.900 4.537 1.00 60.21 2 A 1 ATOM 18 N N . THR A 1 3 ? -11.197 2.490 3.781 1.00 86.51 3 A 1 ATOM 19 C CA . THR A 1 3 ? -10.575 1.331 3.138 1.00 89.26 3 A 1 ATOM 20 C C . THR A 1 3 ? -9.719 1.757 1.944 1.00 91.04 3 A 1 ATOM 21 O O . THR A 1 3 ? -8.727 1.097 1.618 1.00 87.54 3 A 1 ATOM 22 C CB . THR A 1 3 ? -11.644 0.330 2.670 1.00 86.10 3 A 1 ATOM 23 O OG1 . THR A 1 3 ? -12.646 1.007 1.929 1.00 78.54 3 A 1 ATOM 24 C CG2 . THR A 1 3 ? -12.284 -0.382 3.848 1.00 77.73 3 A 1 ATOM 25 N N . SER A 1 4 ? -10.093 2.866 1.312 1.00 91.63 4 A 1 ATOM 26 C CA . SER A 1 4 ? -9.351 3.419 0.175 1.00 92.11 4 A 1 ATOM 27 C C . SER A 1 4 ? -7.924 3.800 0.579 1.00 93.87 4 A 1 ATOM 28 O O . SER A 1 4 ? -6.971 3.546 -0.155 1.00 91.92 4 A 1 ATOM 29 C CB . SER A 1 4 ? -10.087 4.636 -0.386 1.00 88.97 4 A 1 ATOM 30 O OG . SER A 1 4 ? -9.422 5.125 -1.531 1.00 78.33 4 A 1 ATOM 31 N N . LYS A 1 5 ? -7.772 4.402 1.765 1.00 91.65 5 A 1 ATOM 32 C CA . LYS A 1 5 ? -6.456 4.789 2.279 1.00 93.36 5 A 1 ATOM 33 C C . LYS A 1 5 ? -5.591 3.562 2.549 1.00 94.54 5 A 1 ATOM 34 O O . LYS A 1 5 ? -4.412 3.534 2.190 1.00 93.86 5 A 1 ATOM 35 C CB . LYS A 1 5 ? -6.614 5.617 3.557 1.00 92.64 5 A 1 ATOM 36 C CG . LYS A 1 5 ? -6.787 7.106 3.287 1.00 86.39 5 A 1 ATOM 37 C CD . LYS A 1 5 ? -5.464 7.750 2.891 1.00 80.28 5 A 1 ATOM 38 C CE . LYS A 1 5 ? -5.594 9.253 2.702 1.00 73.13 5 A 1 ATOM 39 N NZ . LYS A 1 5 ? -4.278 9.881 2.392 1.00 66.26 5 A 1 ATOM 40 N N . LEU A 1 6 ? -6.186 2.541 3.166 1.00 90.30 6 A 1 ATOM 41 C CA . LEU A 1 6 ? -5.471 1.298 3.449 1.00 91.67 6 A 1 ATOM 42 C C . LEU A 1 6 ? -5.008 0.630 2.156 1.00 94.33 6 A 1 ATOM 43 O O . LEU A 1 6 ? -3.884 0.128 2.077 1.00 93.79 6 A 1 ATOM 44 C CB . LEU A 1 6 ? -6.375 0.343 4.236 1.00 90.58 6 A 1 ATOM 45 C CG . LEU A 1 6 ? -6.574 0.736 5.699 1.00 83.34 6 A 1 ATOM 46 C CD1 . LEU A 1 6 ? -7.752 -0.022 6.296 1.00 79.34 6 A 1 ATOM 47 C CD2 . LEU A 1 6 ? -5.313 0.437 6.505 1.00 78.19 6 A 1 ATOM 48 N N . ASN A 1 7 ? -5.866 0.642 1.143 1.00 91.25 7 A 1 ATOM 49 C CA . ASN A 1 7 ? -5.545 0.057 -0.158 1.00 92.65 7 A 1 ATOM 50 C C . ASN A 1 7 ? -4.411 0.824 -0.836 1.00 94.88 7 A 1 ATOM 51 O O . ASN A 1 7 ? -3.524 0.226 -1.443 1.00 94.63 7 A 1 ATOM 52 C CB . ASN A 1 7 ? -6.786 0.059 -1.047 1.00 91.56 7 A 1 ATOM 53 C CG . ASN A 1 7 ? -6.633 -0.877 -2.225 1.00 87.36 7 A 1 ATOM 54 O OD1 . ASN A 1 7 ? -6.344 -0.457 -3.333 1.00 80.60 7 A 1 ATOM 55 N ND2 . ASN A 1 7 ? -6.827 -2.162 -2.004 1.00 81.31 7 A 1 ATOM 56 N N . PHE A 1 8 ? -4.427 2.157 -0.708 1.00 88.72 8 A 1 ATOM 57 C CA . PHE A 1 8 ? -3.391 3.008 -1.289 1.00 90.12 8 A 1 ATOM 58 C C . PHE A 1 8 ? -2.033 2.724 -0.653 1.00 93.11 8 A 1 ATOM 59 O O . PHE A 1 8 ? -1.030 2.580 -1.354 1.00 92.67 8 A 1 ATOM 60 C CB . PHE A 1 8 ? -3.764 4.482 -1.103 1.00 90.62 8 A 1 ATOM 61 C CG . PHE A 1 8 ? -3.029 5.400 -2.056 1.00 89.60 8 A 1 ATOM 62 C CD1 . PHE A 1 8 ? -1.761 5.872 -1.750 1.00 86.23 8 A 1 ATOM 63 C CD2 . PHE A 1 8 ? -3.620 5.769 -3.255 1.00 87.24 8 A 1 ATOM 64 C CE1 . PHE A 1 8 ? -1.078 6.706 -2.632 1.00 85.46 8 A 1 ATOM 65 C CE2 . PHE A 1 8 ? -2.944 6.605 -4.143 1.00 85.61 8 A 1 ATOM 66 C CZ . PHE A 1 8 ? -1.675 7.072 -3.830 1.00 85.52 8 A 1 ATOM 67 N N . LEU A 1 9 ? -2.014 2.628 0.684 1.00 94.30 9 A 1 ATOM 68 C CA . LEU A 1 9 ? -0.779 2.335 1.412 1.00 94.75 9 A 1 ATOM 69 C C . LEU A 1 9 ? -0.221 0.969 1.018 1.00 96.02 9 A 1 ATOM 70 O O . LEU A 1 9 ? 0.985 0.807 0.835 1.00 96.17 9 A 1 ATOM 71 C CB . LEU A 1 9 ? -1.038 2.389 2.927 1.00 94.62 9 A 1 ATOM 72 C CG . LEU A 1 9 ? -0.691 3.715 3.612 1.00 86.74 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 0.812 3.946 3.570 1.00 84.05 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? -1.418 4.880 2.966 1.00 85.05 9 A 1 ATOM 75 N N . THR A 1 10 ? -1.108 -0.005 0.883 1.00 95.85 10 A 1 ATOM 76 C CA . THR A 1 10 ? -0.721 -1.360 0.492 1.00 96.29 10 A 1 ATOM 77 C C . THR A 1 10 ? -0.145 -1.374 -0.925 1.00 96.88 10 A 1 ATOM 78 O O . THR A 1 10 ? 0.852 -2.050 -1.192 1.00 96.27 10 A 1 ATOM 79 C CB . THR A 1 10 ? -1.928 -2.305 0.566 1.00 95.88 10 A 1 ATOM 80 O OG1 . THR A 1 10 ? -2.488 -2.264 1.874 1.00 92.09 10 A 1 ATOM 81 C CG2 . THR A 1 10 ? -1.527 -3.741 0.255 1.00 89.55 10 A 1 ATOM 82 N N . LEU A 1 11 ? -0.760 -0.616 -1.825 1.00 95.38 11 A 1 ATOM 83 C CA . LEU A 1 11 ? -0.311 -0.535 -3.215 1.00 95.41 11 A 1 ATOM 84 C C . LEU A 1 11 ? 1.086 0.080 -3.304 1.00 96.36 11 A 1 ATOM 85 O O . LEU A 1 11 ? 1.950 -0.424 -4.029 1.00 96.14 11 A 1 ATOM 86 C CB . LEU A 1 11 ? -1.325 0.272 -4.037 1.00 95.03 11 A 1 ATOM 87 C CG . LEU A 1 11 ? -1.129 0.175 -5.554 1.00 90.93 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? -2.484 0.228 -6.258 1.00 86.85 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? -0.249 1.299 -6.072 1.00 87.71 11 A 1 ATOM 90 N N . VAL A 1 12 ? 1.314 1.163 -2.560 1.00 96.18 12 A 1 ATOM 91 C CA . VAL A 1 12 ? 2.619 1.834 -2.540 1.00 96.29 12 A 1 ATOM 92 C C . VAL A 1 12 ? 3.700 0.893 -2.006 1.00 96.78 12 A 1 ATOM 93 O O . VAL A 1 12 ? 4.793 0.797 -2.573 1.00 96.34 12 A 1 ATOM 94 C CB . VAL A 1 12 ? 2.564 3.126 -1.696 1.00 95.43 12 A 1 ATOM 95 C CG1 . VAL A 1 12 ? 3.947 3.755 -1.559 1.00 92.53 12 A 1 ATOM 96 C CG2 . VAL A 1 12 ? 1.615 4.135 -2.333 1.00 93.18 12 A 1 ATOM 97 N N . ALA A 1 13 ? 3.386 0.189 -0.925 1.00 96.88 13 A 1 ATOM 98 C CA . ALA A 1 13 ? 4.324 -0.758 -0.322 1.00 96.88 13 A 1 ATOM 99 C C . ALA A 1 13 ? 4.650 -1.900 -1.284 1.00 97.18 13 A 1 ATOM 100 O O . ALA A 1 13 ? 5.807 -2.311 -1.398 1.00 96.12 13 A 1 ATOM 101 C CB . ALA A 1 13 ? 3.737 -1.304 0.976 1.00 96.03 13 A 1 ATOM 102 N N . SER A 1 14 ? 3.641 -2.402 -1.981 1.00 96.96 14 A 1 ATOM 103 C CA . SER A 1 14 ? 3.807 -3.486 -2.947 1.00 96.63 14 A 1 ATOM 104 C C . SER A 1 14 ? 4.701 -3.057 -4.110 1.00 96.94 14 A 1 ATOM 105 O O . SER A 1 14 ? 5.558 -3.823 -4.558 1.00 95.21 14 A 1 ATOM 106 C CB . SER A 1 14 ? 2.444 -3.936 -3.471 1.00 95.00 14 A 1 ATOM 107 O OG . SER A 1 14 ? 2.586 -5.040 -4.333 1.00 83.45 14 A 1 ATOM 108 N N . THR A 1 15 ? 4.515 -1.823 -4.581 1.00 96.65 15 A 1 ATOM 109 C CA . THR A 1 15 ? 5.310 -1.279 -5.686 1.00 96.53 15 A 1 ATOM 110 C C . THR A 1 15 ? 6.786 -1.175 -5.293 1.00 96.99 15 A 1 ATOM 111 O O . THR A 1 15 ? 7.671 -1.534 -6.073 1.00 95.29 15 A 1 ATOM 112 C CB . THR A 1 15 ? 4.782 0.104 -6.103 1.00 95.36 15 A 1 ATOM 113 O OG1 . THR A 1 15 ? 3.397 0.011 -6.435 1.00 90.15 15 A 1 ATOM 114 C CG2 . THR A 1 15 ? 5.528 0.636 -7.317 1.00 89.10 15 A 1 ATOM 115 N N . GLY A 1 16 ? 7.044 -0.691 -4.077 1.00 96.66 16 A 1 ATOM 116 C CA . GLY A 1 16 ? 8.414 -0.573 -3.583 1.00 96.37 16 A 1 ATOM 117 C C . GLY A 1 16 ? 9.083 -1.927 -3.424 1.00 96.83 16 A 1 ATOM 118 O O . GLY A 1 16 ? 10.265 -2.086 -3.737 1.00 95.86 16 A 1 ATOM 119 N N . LEU A 1 17 ? 8.330 -2.907 -2.946 1.00 96.95 17 A 1 ATOM 120 C CA . LEU A 1 17 ? 8.834 -4.269 -2.758 1.00 96.65 17 A 1 ATOM 121 C C . LEU A 1 17 ? 9.189 -4.908 -4.101 1.00 97.07 17 A 1 ATOM 122 O O . LEU A 1 17 ? 10.187 -5.622 -4.214 1.00 96.32 17 A 1 ATOM 123 C CB . LEU A 1 17 ? 7.784 -5.112 -2.015 1.00 95.65 17 A 1 ATOM 124 C CG . LEU A 1 17 ? 8.311 -6.310 -1.204 1.00 89.65 17 A 1 ATOM 125 C CD1 . LEU A 1 17 ? 8.843 -7.412 -2.088 1.00 86.11 17 A 1 ATOM 126 C CD2 . LEU A 1 17 ? 9.362 -5.852 -0.206 1.00 86.06 17 A 1 ATOM 127 N N . ALA A 1 18 ? 8.381 -4.648 -5.117 1.00 96.88 18 A 1 ATOM 128 C CA . ALA A 1 18 ? 8.612 -5.193 -6.457 1.00 96.70 18 A 1 ATOM 129 C C . ALA A 1 18 ? 9.907 -4.659 -7.076 1.00 97.11 18 A 1 ATOM 130 O O . ALA A 1 18 ? 10.586 -5.368 -7.822 1.00 95.59 18 A 1 ATOM 131 C CB . ALA A 1 18 ? 7.420 -4.866 -7.358 1.00 95.18 18 A 1 ATOM 132 N N . LEU A 1 19 ? 10.247 -3.408 -6.765 1.00 95.58 19 A 1 ATOM 133 C CA . LEU A 1 19 ? 11.470 -2.781 -7.271 1.00 95.73 19 A 1 ATOM 134 C C . LEU A 1 19 ? 12.720 -3.287 -6.551 1.00 96.17 19 A 1 ATOM 135 O O . LEU A 1 19 ? 13.821 -3.250 -7.116 1.00 95.08 19 A 1 ATOM 136 C CB . LEU A 1 19 ? 11.363 -1.256 -7.133 1.00 94.37 19 A 1 ATOM 137 C CG . LEU A 1 19 ? 10.439 -0.590 -8.156 1.00 89.10 19 A 1 ATOM 138 C CD1 . LEU A 1 19 ? 10.077 0.822 -7.714 1.00 85.45 19 A 1 ATOM 139 C CD2 . LEU A 1 19 ? 11.101 -0.545 -9.526 1.00 84.14 19 A 1 ATOM 140 N N . ALA A 1 20 ? 12.554 -3.762 -5.327 1.00 93.66 20 A 1 ATOM 141 C CA . ALA A 1 20 ? 13.671 -4.244 -4.500 1.00 91.89 20 A 1 ATOM 142 C C . ALA A 1 20 ? 14.106 -5.656 -4.910 1.00 89.84 20 A 1 ATOM 143 O O . ALA A 1 20 ? 13.822 -6.624 -4.189 1.00 85.52 20 A 1 ATOM 144 C CB . ALA A 1 20 ? 13.288 -4.187 -3.031 1.00 87.64 20 A 1 ATOM 145 O OXT . ALA A 1 20 ? 14.761 -5.788 -5.966 1.00 78.69 20 A 1 #