# 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_spkb08071 # _entry.id spkb08071 # 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" "C3 H7 N O2 S" 121.158 CYS y CYSTEINE C([C@@H](C(=O)O)N)S ? "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" "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" "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 ALA 2 1 n LEU 3 1 n ALA 4 1 n GLY 5 1 n LEU 6 1 n CYS 7 1 n ALA 8 1 n LEU 9 1 n LEU 10 1 n ALA 11 1 n CYS 12 1 n CYS 13 1 n TRP 14 1 n GLY 15 1 n PRO 16 1 n ALA 17 1 n ALA 18 1 n VAL 19 1 n LEU 20 1 n ALA 21 # _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 @ 2025-07-03 03:41:56)" _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 90.71 _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 80.52 1 1 A ALA 2 2 91.92 1 2 A LEU 3 2 91.61 1 3 A ALA 4 2 95.11 1 4 A GLY 5 2 95.37 1 5 A LEU 6 2 93.66 1 6 A CYS 7 2 93.63 1 7 A ALA 8 2 94.89 1 8 A LEU 9 2 93.30 1 9 A LEU 10 2 92.56 1 10 A ALA 11 2 93.33 1 11 A CYS 12 2 91.73 1 12 A CYS 13 2 91.57 1 13 A TRP 14 2 88.61 1 14 A GLY 15 2 91.73 1 15 A PRO 16 2 91.53 1 16 A ALA 17 2 91.65 1 17 A ALA 18 2 90.58 1 18 A VAL 19 2 89.71 1 19 A LEU 20 2 88.64 1 20 A ALA 21 2 81.47 1 21 # _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 ALA . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n ALA . 4 A 4 A 5 1 n GLY . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n CYS . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n CYS . 12 A 12 A 13 1 n CYS . 13 A 13 A 14 1 n TRP . 14 A 14 A 15 1 n GLY . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n ALA . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n ALA . 21 A 21 # _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 ? -15.374 -4.300 -2.374 1.00 85.20 1 A 1 ATOM 2 C CA . MET A 1 1 ? -14.479 -3.136 -2.489 1.00 86.03 1 A 1 ATOM 3 C C . MET A 1 1 ? -13.018 -3.586 -2.430 1.00 87.37 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.480 -3.793 -1.346 1.00 84.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -14.748 -2.143 -1.358 1.00 81.60 1 A 1 ATOM 6 C CG . MET A 1 1 ? -16.032 -1.352 -1.572 1.00 77.45 1 A 1 ATOM 7 S SD . MET A 1 1 ? -17.466 -2.147 -0.852 1.00 76.00 1 A 1 ATOM 8 C CE . MET A 1 1 ? -18.666 -0.835 -1.032 1.00 65.75 1 A 1 ATOM 9 N N . ALA A 1 2 ? -12.403 -3.754 -3.594 1.00 88.97 2 A 1 ATOM 10 C CA . ALA A 1 2 ? -10.995 -4.165 -3.681 1.00 92.47 2 A 1 ATOM 11 C C . ALA A 1 2 ? -10.042 -2.995 -3.404 1.00 94.74 2 A 1 ATOM 12 O O . ALA A 1 2 ? -8.834 -3.192 -3.273 1.00 93.22 2 A 1 ATOM 13 C CB . ALA A 1 2 ? -10.743 -4.757 -5.067 1.00 90.22 2 A 1 ATOM 14 N N . LEU A 1 3 ? -10.590 -1.797 -3.306 1.00 93.98 3 A 1 ATOM 15 C CA . LEU A 1 3 ? -9.800 -0.585 -3.041 1.00 94.67 3 A 1 ATOM 16 C C . LEU A 1 3 ? -9.095 -0.648 -1.692 1.00 95.79 3 A 1 ATOM 17 O O . LEU A 1 3 ? -8.037 -0.041 -1.528 1.00 95.06 3 A 1 ATOM 18 C CB . LEU A 1 3 ? -10.728 0.634 -3.101 1.00 93.49 3 A 1 ATOM 19 C CG . LEU A 1 3 ? -10.863 1.197 -4.516 1.00 89.51 3 A 1 ATOM 20 C CD1 . LEU A 1 3 ? -12.171 1.960 -4.660 1.00 86.61 3 A 1 ATOM 21 C CD2 . LEU A 1 3 ? -9.690 2.115 -4.825 1.00 83.79 3 A 1 ATOM 22 N N . ALA A 1 4 ? -9.663 -1.386 -0.753 1.00 94.94 4 A 1 ATOM 23 C CA . ALA A 1 4 ? -9.055 -1.522 0.573 1.00 95.34 4 A 1 ATOM 24 C C . ALA A 1 4 ? -7.652 -2.128 0.482 1.00 96.20 4 A 1 ATOM 25 O O . ALA A 1 4 ? -6.727 -1.663 1.144 1.00 95.05 4 A 1 ATOM 26 C CB . ALA A 1 4 ? -9.967 -2.372 1.450 1.00 94.04 4 A 1 ATOM 27 N N . GLY A 1 5 ? -7.501 -3.142 -0.367 1.00 94.52 5 A 1 ATOM 28 C CA . GLY A 1 5 ? -6.194 -3.772 -0.572 1.00 94.97 5 A 1 ATOM 29 C C . GLY A 1 5 ? -5.207 -2.831 -1.249 1.00 96.27 5 A 1 ATOM 30 O O . GLY A 1 5 ? -4.046 -2.748 -0.851 1.00 95.73 5 A 1 ATOM 31 N N . LEU A 1 6 ? -5.694 -2.103 -2.250 1.00 95.00 6 A 1 ATOM 32 C CA . LEU A 1 6 ? -4.868 -1.118 -2.953 1.00 95.12 6 A 1 ATOM 33 C C . LEU A 1 6 ? -4.449 0.015 -2.025 1.00 96.14 6 A 1 ATOM 34 O O . LEU A 1 6 ? -3.306 0.474 -2.086 1.00 95.83 6 A 1 ATOM 35 C CB . LEU A 1 6 ? -5.645 -0.578 -4.158 1.00 95.04 6 A 1 ATOM 36 C CG . LEU A 1 6 ? -5.153 -1.177 -5.476 1.00 92.33 6 A 1 ATOM 37 C CD1 . LEU A 1 6 ? -6.241 -1.085 -6.537 1.00 90.29 6 A 1 ATOM 38 C CD2 . LEU A 1 6 ? -3.907 -0.447 -5.955 1.00 89.50 6 A 1 ATOM 39 N N . CYS A 1 7 ? -5.353 0.446 -1.168 1.00 94.57 7 A 1 ATOM 40 C CA . CYS A 1 7 ? -5.060 1.507 -0.199 1.00 94.19 7 A 1 ATOM 41 C C . CYS A 1 7 ? -3.932 1.074 0.744 1.00 94.64 7 A 1 ATOM 42 O O . CYS A 1 7 ? -2.997 1.834 0.998 1.00 93.59 7 A 1 ATOM 43 C CB . CYS A 1 7 ? -6.339 1.838 0.580 1.00 93.31 7 A 1 ATOM 44 S SG . CYS A 1 7 ? -6.173 3.394 1.470 1.00 91.49 7 A 1 ATOM 45 N N . ALA A 1 8 ? -4.006 -0.156 1.221 1.00 94.58 8 A 1 ATOM 46 C CA . ALA A 1 8 ? -2.962 -0.706 2.085 1.00 94.97 8 A 1 ATOM 47 C C . ALA A 1 8 ? -1.634 -0.837 1.333 1.00 95.89 8 A 1 ATOM 48 O O . ALA A 1 8 ? -0.581 -0.499 1.873 1.00 94.41 8 A 1 ATOM 49 C CB . ALA A 1 8 ? -3.420 -2.057 2.625 1.00 94.58 8 A 1 ATOM 50 N N . LEU A 1 9 ? -1.701 -1.300 0.081 1.00 94.15 9 A 1 ATOM 51 C CA . LEU A 1 9 ? -0.508 -1.428 -0.762 1.00 94.05 9 A 1 ATOM 52 C C . LEU A 1 9 ? 0.130 -0.071 -1.029 1.00 95.02 9 A 1 ATOM 53 O O . LEU A 1 9 ? 1.350 0.073 -0.931 1.00 94.46 9 A 1 ATOM 54 C CB . LEU A 1 9 ? -0.889 -2.112 -2.077 1.00 94.37 9 A 1 ATOM 55 C CG . LEU A 1 9 ? -0.489 -3.588 -2.104 1.00 92.28 9 A 1 ATOM 56 C CD1 . LEU A 1 9 ? -1.342 -4.351 -3.108 1.00 91.29 9 A 1 ATOM 57 C CD2 . LEU A 1 9 ? 0.981 -3.733 -2.465 1.00 90.76 9 A 1 ATOM 58 N N . LEU A 1 10 ? -0.702 0.910 -1.339 1.00 94.17 10 A 1 ATOM 59 C CA . LEU A 1 10 ? -0.216 2.265 -1.591 1.00 93.26 10 A 1 ATOM 60 C C . LEU A 1 10 ? 0.477 2.829 -0.351 1.00 94.04 10 A 1 ATOM 61 O O . LEU A 1 10 ? 1.583 3.367 -0.442 1.00 93.34 10 A 1 ATOM 62 C CB . LEU A 1 10 ? -1.395 3.155 -1.997 1.00 93.36 10 A 1 ATOM 63 C CG . LEU A 1 10 ? -0.942 4.471 -2.617 1.00 91.61 10 A 1 ATOM 64 C CD1 . LEU A 1 10 ? -1.025 4.409 -4.142 1.00 90.53 10 A 1 ATOM 65 C CD2 . LEU A 1 10 ? -1.795 5.615 -2.104 1.00 90.16 10 A 1 ATOM 66 N N . ALA A 1 11 ? -0.157 2.686 0.799 1.00 94.15 11 A 1 ATOM 67 C CA . ALA A 1 11 ? 0.419 3.145 2.059 1.00 93.57 11 A 1 ATOM 68 C C . ALA A 1 11 ? 1.709 2.386 2.380 1.00 94.13 11 A 1 ATOM 69 O O . ALA A 1 11 ? 2.675 2.977 2.860 1.00 92.11 11 A 1 ATOM 70 C CB . ALA A 1 11 ? -0.612 2.965 3.171 1.00 92.69 11 A 1 ATOM 71 N N . CYS A 1 12 ? 1.733 1.087 2.082 1.00 93.38 12 A 1 ATOM 72 C CA . CYS A 1 12 ? 2.915 0.256 2.295 1.00 93.04 12 A 1 ATOM 73 C C . CYS A 1 12 ? 4.060 0.696 1.379 1.00 93.42 12 A 1 ATOM 74 O O . CYS A 1 12 ? 5.204 0.800 1.820 1.00 90.86 12 A 1 ATOM 75 C CB . CYS A 1 12 ? 2.549 -1.210 2.049 1.00 91.37 12 A 1 ATOM 76 S SG . CYS A 1 12 ? 3.877 -2.308 2.570 1.00 88.33 12 A 1 ATOM 77 N N . CYS A 1 13 ? 3.735 0.970 0.107 1.00 92.72 13 A 1 ATOM 78 C CA . CYS A 1 13 ? 4.731 1.427 -0.859 1.00 92.67 13 A 1 ATOM 79 C C . CYS A 1 13 ? 5.345 2.763 -0.447 1.00 92.85 13 A 1 ATOM 80 O O . CYS A 1 13 ? 6.559 2.939 -0.509 1.00 90.19 13 A 1 ATOM 81 C CB . CYS A 1 13 ? 4.084 1.548 -2.245 1.00 91.46 13 A 1 ATOM 82 S SG . CYS A 1 13 ? 4.037 -0.056 -3.078 1.00 89.55 13 A 1 ATOM 83 N N . TRP A 1 14 ? 4.497 3.687 -0.017 1.00 91.49 14 A 1 ATOM 84 C CA . TRP A 1 14 ? 4.982 4.986 0.446 1.00 90.94 14 A 1 ATOM 85 C C . TRP A 1 14 ? 5.697 4.843 1.785 1.00 92.25 14 A 1 ATOM 86 O O . TRP A 1 14 ? 6.739 5.467 1.987 1.00 91.47 14 A 1 ATOM 87 C CB . TRP A 1 14 ? 3.810 5.956 0.539 1.00 89.84 14 A 1 ATOM 88 C CG . TRP A 1 14 ? 3.441 6.554 -0.782 1.00 89.06 14 A 1 ATOM 89 C CD1 . TRP A 1 14 ? 3.712 6.061 -2.014 1.00 87.60 14 A 1 ATOM 90 C CD2 . TRP A 1 14 ? 2.728 7.803 -1.005 1.00 89.52 14 A 1 ATOM 91 N NE1 . TRP A 1 14 ? 3.227 6.906 -2.983 1.00 86.88 14 A 1 ATOM 92 C CE2 . TRP A 1 14 ? 2.614 7.986 -2.396 1.00 88.48 14 A 1 ATOM 93 C CE3 . TRP A 1 14 ? 2.190 8.776 -0.157 1.00 87.74 14 A 1 ATOM 94 C CZ2 . TRP A 1 14 ? 1.977 9.109 -2.948 1.00 86.62 14 A 1 ATOM 95 C CZ3 . TRP A 1 14 ? 1.551 9.894 -0.710 1.00 84.49 14 A 1 ATOM 96 C CH2 . TRP A 1 14 ? 1.451 10.054 -2.091 1.00 84.18 14 A 1 ATOM 97 N N . GLY A 1 15 ? 5.165 4.008 2.660 1.00 91.09 15 A 1 ATOM 98 C CA . GLY A 1 15 ? 5.774 3.689 3.947 1.00 90.66 15 A 1 ATOM 99 C C . GLY A 1 15 ? 6.373 4.901 4.646 1.00 92.84 15 A 1 ATOM 100 O O . GLY A 1 15 ? 7.597 5.045 4.669 1.00 92.34 15 A 1 ATOM 101 N N . PRO A 1 16 ? 5.543 5.766 5.235 1.00 92.75 16 A 1 ATOM 102 C CA . PRO A 1 16 ? 6.077 6.915 5.976 1.00 92.72 16 A 1 ATOM 103 C C . PRO A 1 16 ? 6.961 6.475 7.138 1.00 94.08 16 A 1 ATOM 104 O O . PRO A 1 16 ? 7.893 7.183 7.518 1.00 91.97 16 A 1 ATOM 105 C CB . PRO A 1 16 ? 4.829 7.664 6.460 1.00 90.40 16 A 1 ATOM 106 C CG . PRO A 1 16 ? 3.719 6.658 6.407 1.00 87.97 16 A 1 ATOM 107 C CD . PRO A 1 16 ? 4.093 5.709 5.288 1.00 90.82 16 A 1 ATOM 108 N N . ALA A 1 17 ? 6.693 5.297 7.677 1.00 91.43 17 A 1 ATOM 109 C CA . ALA A 1 17 ? 7.501 4.731 8.752 1.00 91.89 17 A 1 ATOM 110 C C . ALA A 1 17 ? 8.880 4.293 8.252 1.00 93.34 17 A 1 ATOM 111 O O . ALA A 1 17 ? 9.823 4.214 9.035 1.00 91.46 17 A 1 ATOM 112 C CB . ALA A 1 17 ? 6.747 3.560 9.371 1.00 90.14 17 A 1 ATOM 113 N N . ALA A 1 18 ? 9.010 4.023 6.949 1.00 90.88 18 A 1 ATOM 114 C CA . ALA A 1 18 ? 10.290 3.623 6.361 1.00 90.72 18 A 1 ATOM 115 C C . ALA A 1 18 ? 11.320 4.748 6.467 1.00 92.22 18 A 1 ATOM 116 O O . ALA A 1 18 ? 12.519 4.486 6.517 1.00 89.85 18 A 1 ATOM 117 C CB . ALA A 1 18 ? 10.085 3.218 4.905 1.00 89.23 18 A 1 ATOM 118 N N . VAL A 1 19 ? 10.863 5.988 6.516 1.00 91.14 19 A 1 ATOM 119 C CA . VAL A 1 19 ? 11.752 7.144 6.679 1.00 91.27 19 A 1 ATOM 120 C C . VAL A 1 19 ? 12.367 7.144 8.078 1.00 92.86 19 A 1 ATOM 121 O O . VAL A 1 19 ? 13.527 7.524 8.253 1.00 91.60 19 A 1 ATOM 122 C CB . VAL A 1 19 ? 10.983 8.453 6.432 1.00 89.69 19 A 1 ATOM 123 C CG1 . VAL A 1 19 ? 11.908 9.658 6.552 1.00 85.41 19 A 1 ATOM 124 C CG2 . VAL A 1 19 ? 10.344 8.445 5.051 1.00 86.00 19 A 1 ATOM 125 N N . LEU A 1 20 ? 11.584 6.703 9.048 1.00 91.54 20 A 1 ATOM 126 C CA . LEU A 1 20 ? 12.053 6.606 10.431 1.00 91.15 20 A 1 ATOM 127 C C . LEU A 1 20 ? 12.999 5.424 10.612 1.00 92.47 20 A 1 ATOM 128 O O . LEU A 1 20 ? 13.971 5.522 11.365 1.00 90.71 20 A 1 ATOM 129 C CB . LEU A 1 20 ? 10.841 6.481 11.357 1.00 90.09 20 A 1 ATOM 130 C CG . LEU A 1 20 ? 10.241 7.836 11.716 1.00 87.60 20 A 1 ATOM 131 C CD1 . LEU A 1 20 ? 8.727 7.828 11.587 1.00 83.93 20 A 1 ATOM 132 C CD2 . LEU A 1 20 ? 10.631 8.207 13.145 1.00 81.64 20 A 1 ATOM 133 N N . ALA A 1 21 ? 12.703 4.320 9.928 1.00 87.55 21 A 1 ATOM 134 C CA . ALA A 1 21 ? 13.508 3.107 10.013 1.00 85.21 21 A 1 ATOM 135 C C . ALA A 1 21 ? 14.551 3.048 8.899 1.00 82.99 21 A 1 ATOM 136 O O . ALA A 1 21 ? 14.258 3.500 7.778 1.00 78.36 21 A 1 ATOM 137 C CB . ALA A 1 21 ? 12.598 1.884 9.993 1.00 80.25 21 A 1 ATOM 138 O OXT . ALA A 1 21 ? 15.656 2.531 9.145 1.00 74.46 21 A 1 #