# 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_spkb07303 # _entry.id spkb07303 # 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" "C5 H10 N2 O3" 146.144 GLN y GLUTAMINE C(CC(=O)N)[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 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 ALA 3 1 n PHE 4 1 n ALA 5 1 n THR 6 1 n ARG 7 1 n ALA 8 1 n LEU 9 1 n ALA 10 1 n PHE 11 1 n SER 12 1 n VAL 13 1 n ALA 14 1 n ALA 15 1 n GLY 16 1 n GLN 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 @ 2025-07-07 10:32:15)" _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 93.08 _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 84.82 1 1 A LYS 2 2 85.17 1 2 A ALA 3 2 94.83 1 3 A PHE 4 2 91.87 1 4 A ALA 5 2 96.44 1 5 A THR 6 2 95.41 1 6 A ARG 7 2 89.60 1 7 A ALA 8 2 97.19 1 8 A LEU 9 2 95.12 1 9 A ALA 10 2 97.40 1 10 A PHE 11 2 94.34 1 11 A SER 12 2 95.29 1 12 A VAL 13 2 96.91 1 13 A ALA 14 2 97.83 1 14 A ALA 15 2 97.56 1 15 A GLY 16 2 97.40 1 16 A GLN 17 2 92.65 1 17 A ALA 18 2 96.73 1 18 A LEU 19 2 92.30 1 19 A ALA 20 2 86.95 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 ALA . 3 A 3 A 4 1 n PHE . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n THR . 6 A 6 A 7 1 n ARG . 7 A 7 A 8 1 n ALA . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n PHE . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n VAL . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ALA . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n GLN . 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 ? -3.489 13.467 -4.008 1.00 87.65 1 A 1 ATOM 2 C CA . MET A 1 1 ? -3.414 12.011 -3.822 1.00 90.00 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.084 11.603 -3.183 1.00 91.75 1 A 1 ATOM 4 O O . MET A 1 1 ? -1.209 11.050 -3.848 1.00 88.44 1 A 1 ATOM 5 C CB . MET A 1 1 ? -3.578 11.297 -5.162 1.00 85.06 1 A 1 ATOM 6 C CG . MET A 1 1 ? -2.800 11.951 -6.292 1.00 83.65 1 A 1 ATOM 7 S SD . MET A 1 1 ? -3.276 11.286 -7.889 1.00 81.57 1 A 1 ATOM 8 C CE . MET A 1 1 ? -2.476 12.448 -8.972 1.00 70.47 1 A 1 ATOM 9 N N . LYS A 1 2 ? -1.966 11.893 -1.907 1.00 87.25 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -0.744 11.561 -1.167 1.00 91.94 2 A 1 ATOM 11 C C . LYS A 1 2 ? -1.000 10.394 -0.211 1.00 94.27 2 A 1 ATOM 12 O O . LYS A 1 2 ? -0.315 9.375 -0.265 1.00 93.74 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -0.267 12.799 -0.394 1.00 89.03 2 A 1 ATOM 14 C CG . LYS A 1 2 ? 1.038 12.557 0.342 1.00 82.68 2 A 1 ATOM 15 C CD . LYS A 1 2 ? 1.444 13.781 1.147 1.00 82.12 2 A 1 ATOM 16 C CE . LYS A 1 2 ? 2.617 13.455 2.053 1.00 75.94 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? 3.076 14.668 2.781 1.00 69.54 2 A 1 ATOM 18 N N . ALA A 1 3 ? -1.993 10.546 0.651 1.00 92.51 3 A 1 ATOM 19 C CA . ALA A 1 3 ? -2.356 9.497 1.599 1.00 95.28 3 A 1 ATOM 20 C C . ALA A 1 3 ? -2.898 8.272 0.868 1.00 96.85 3 A 1 ATOM 21 O O . ALA A 1 3 ? -2.652 7.135 1.265 1.00 95.96 3 A 1 ATOM 22 C CB . ALA A 1 3 ? -3.385 10.027 2.586 1.00 93.56 3 A 1 ATOM 23 N N . PHE A 1 4 ? -3.630 8.516 -0.212 1.00 94.18 4 A 1 ATOM 24 C CA . PHE A 1 4 ? -4.202 7.437 -1.014 1.00 95.25 4 A 1 ATOM 25 C C . PHE A 1 4 ? -3.100 6.575 -1.622 1.00 96.93 4 A 1 ATOM 26 O O . PHE A 1 4 ? -3.180 5.347 -1.611 1.00 96.19 4 A 1 ATOM 27 C CB . PHE A 1 4 ? -5.077 8.026 -2.121 1.00 94.13 4 A 1 ATOM 28 C CG . PHE A 1 4 ? -5.724 6.965 -2.968 1.00 91.27 4 A 1 ATOM 29 C CD1 . PHE A 1 4 ? -6.752 6.190 -2.454 1.00 88.79 4 A 1 ATOM 30 C CD2 . PHE A 1 4 ? -5.299 6.742 -4.269 1.00 89.68 4 A 1 ATOM 31 C CE1 . PHE A 1 4 ? -7.354 5.204 -3.227 1.00 88.43 4 A 1 ATOM 32 C CE2 . PHE A 1 4 ? -5.893 5.756 -5.049 1.00 88.10 4 A 1 ATOM 33 C CZ . PHE A 1 4 ? -6.925 4.987 -4.527 1.00 87.63 4 A 1 ATOM 34 N N . ALA A 1 5 ? -2.081 7.213 -2.144 1.00 95.20 5 A 1 ATOM 35 C CA . ALA A 1 5 ? -0.960 6.495 -2.747 1.00 96.66 5 A 1 ATOM 36 C C . ALA A 1 5 ? -0.225 5.663 -1.701 1.00 97.32 5 A 1 ATOM 37 O O . ALA A 1 5 ? 0.155 4.520 -1.954 1.00 96.85 5 A 1 ATOM 38 C CB . ALA A 1 5 ? -0.010 7.489 -3.398 1.00 96.18 5 A 1 ATOM 39 N N . THR A 1 6 ? -0.035 6.239 -0.532 1.00 97.07 6 A 1 ATOM 40 C CA . THR A 1 6 ? 0.648 5.559 0.570 1.00 96.99 6 A 1 ATOM 41 C C . THR A 1 6 ? -0.155 4.347 1.031 1.00 97.28 6 A 1 ATOM 42 O O . THR A 1 6 ? 0.403 3.277 1.285 1.00 96.83 6 A 1 ATOM 43 C CB . THR A 1 6 ? 0.858 6.517 1.747 1.00 96.54 6 A 1 ATOM 44 O OG1 . THR A 1 6 ? 1.571 7.663 1.301 1.00 92.44 6 A 1 ATOM 45 C CG2 . THR A 1 6 ? 1.664 5.848 2.853 1.00 90.73 6 A 1 ATOM 46 N N . ARG A 1 7 ? -1.462 4.509 1.132 1.00 97.20 7 A 1 ATOM 47 C CA . ARG A 1 7 ? -2.343 3.425 1.559 1.00 97.12 7 A 1 ATOM 48 C C . ARG A 1 7 ? -2.344 2.296 0.538 1.00 97.56 7 A 1 ATOM 49 O O . ARG A 1 7 ? -2.236 1.118 0.895 1.00 96.96 7 A 1 ATOM 50 C CB . ARG A 1 7 ? -3.765 3.953 1.755 1.00 96.38 7 A 1 ATOM 51 C CG . ARG A 1 7 ? -4.017 4.358 3.194 1.00 91.42 7 A 1 ATOM 52 C CD . ARG A 1 7 ? -5.009 5.502 3.277 1.00 88.44 7 A 1 ATOM 53 N NE . ARG A 1 7 ? -6.229 5.106 3.991 1.00 84.95 7 A 1 ATOM 54 C CZ . ARG A 1 7 ? -7.222 5.943 4.265 1.00 83.03 7 A 1 ATOM 55 N NH1 . ARG A 1 7 ? -7.169 7.211 3.909 1.00 77.07 7 A 1 ATOM 56 N NH2 . ARG A 1 7 ? -8.298 5.499 4.903 1.00 75.46 7 A 1 ATOM 57 N N . ALA A 1 8 ? -2.462 2.645 -0.726 1.00 96.87 8 A 1 ATOM 58 C CA . ALA A 1 8 ? -2.465 1.654 -1.796 1.00 97.26 8 A 1 ATOM 59 C C . ALA A 1 8 ? -1.142 0.891 -1.824 1.00 97.68 8 A 1 ATOM 60 O O . ALA A 1 8 ? -1.116 -0.325 -2.017 1.00 97.13 8 A 1 ATOM 61 C CB . ALA A 1 8 ? -2.709 2.346 -3.131 1.00 97.02 8 A 1 ATOM 62 N N . LEU A 1 9 ? -0.061 1.610 -1.609 1.00 97.49 9 A 1 ATOM 63 C CA . LEU A 1 9 ? 1.269 1.004 -1.599 1.00 97.22 9 A 1 ATOM 64 C C . LEU A 1 9 ? 1.402 0.025 -0.434 1.00 97.61 9 A 1 ATOM 65 O O . LEU A 1 9 ? 1.900 -1.087 -0.601 1.00 97.42 9 A 1 ATOM 66 C CB . LEU A 1 9 ? 2.329 2.105 -1.502 1.00 97.08 9 A 1 ATOM 67 C CG . LEU A 1 9 ? 3.738 1.620 -1.846 1.00 92.85 9 A 1 ATOM 68 C CD1 . LEU A 1 9 ? 4.475 2.670 -2.667 1.00 90.08 9 A 1 ATOM 69 C CD2 . LEU A 1 9 ? 4.522 1.315 -0.579 1.00 91.23 9 A 1 ATOM 70 N N . ALA A 1 10 ? 0.956 0.437 0.742 1.00 97.45 10 A 1 ATOM 71 C CA . ALA A 1 10 ? 1.017 -0.410 1.932 1.00 97.48 10 A 1 ATOM 72 C C . ALA A 1 10 ? 0.186 -1.676 1.740 1.00 97.75 10 A 1 ATOM 73 O O . ALA A 1 10 ? 0.610 -2.771 2.114 1.00 97.23 10 A 1 ATOM 74 C CB . ALA A 1 10 ? 0.520 0.367 3.145 1.00 97.08 10 A 1 ATOM 75 N N . PHE A 1 11 ? -0.988 -1.518 1.159 1.00 97.38 11 A 1 ATOM 76 C CA . PHE A 1 11 ? -1.879 -2.647 0.907 1.00 97.16 11 A 1 ATOM 77 C C . PHE A 1 11 ? -1.262 -3.605 -0.103 1.00 97.59 11 A 1 ATOM 78 O O . PHE A 1 11 ? -1.305 -4.823 0.071 1.00 96.81 11 A 1 ATOM 79 C CB . PHE A 1 11 ? -3.220 -2.132 0.391 1.00 96.85 11 A 1 ATOM 80 C CG . PHE A 1 11 ? -4.229 -3.236 0.209 1.00 94.32 11 A 1 ATOM 81 C CD1 . PHE A 1 11 ? -4.881 -3.777 1.305 1.00 91.98 11 A 1 ATOM 82 C CD2 . PHE A 1 11 ? -4.515 -3.730 -1.057 1.00 92.50 11 A 1 ATOM 83 C CE1 . PHE A 1 11 ? -5.810 -4.796 1.146 1.00 91.40 11 A 1 ATOM 84 C CE2 . PHE A 1 11 ? -5.442 -4.755 -1.224 1.00 90.92 11 A 1 ATOM 85 C CZ . PHE A 1 11 ? -6.091 -5.286 -0.119 1.00 90.82 11 A 1 ATOM 86 N N . SER A 1 12 ? -0.697 -3.059 -1.156 1.00 97.22 12 A 1 ATOM 87 C CA . SER A 1 12 ? -0.071 -3.868 -2.199 1.00 97.00 12 A 1 ATOM 88 C C . SER A 1 12 ? 1.112 -4.656 -1.643 1.00 97.51 12 A 1 ATOM 89 O O . SER A 1 12 ? 1.278 -5.840 -1.939 1.00 96.92 12 A 1 ATOM 90 C CB . SER A 1 12 ? 0.391 -2.972 -3.346 1.00 96.14 12 A 1 ATOM 91 O OG . SER A 1 12 ? 0.687 -3.744 -4.486 1.00 86.96 12 A 1 ATOM 92 N N . VAL A 1 13 ? 1.920 -4.006 -0.826 1.00 97.57 13 A 1 ATOM 93 C CA . VAL A 1 13 ? 3.082 -4.650 -0.212 1.00 97.47 13 A 1 ATOM 94 C C . VAL A 1 13 ? 2.636 -5.770 0.720 1.00 97.89 13 A 1 ATOM 95 O O . VAL A 1 13 ? 3.183 -6.875 0.686 1.00 97.61 13 A 1 ATOM 96 C CB . VAL A 1 13 ? 3.927 -3.625 0.567 1.00 97.07 13 A 1 ATOM 97 C CG1 . VAL A 1 13 ? 5.037 -4.315 1.346 1.00 95.51 13 A 1 ATOM 98 C CG2 . VAL A 1 13 ? 4.522 -2.601 -0.387 1.00 95.22 13 A 1 ATOM 99 N N . ALA A 1 14 ? 1.645 -5.481 1.548 1.00 97.97 14 A 1 ATOM 100 C CA . ALA A 1 14 ? 1.130 -6.466 2.496 1.00 97.82 14 A 1 ATOM 101 C C . ALA A 1 14 ? 0.543 -7.668 1.766 1.00 98.13 14 A 1 ATOM 102 O O . ALA A 1 14 ? 0.767 -8.813 2.163 1.00 97.77 14 A 1 ATOM 103 C CB . ALA A 1 14 ? 0.075 -5.823 3.388 1.00 97.45 14 A 1 ATOM 104 N N . ALA A 1 15 ? -0.207 -7.413 0.702 1.00 97.84 15 A 1 ATOM 105 C CA . ALA A 1 15 ? -0.824 -8.477 -0.082 1.00 97.65 15 A 1 ATOM 106 C C . ALA A 1 15 ? 0.234 -9.345 -0.752 1.00 97.95 15 A 1 ATOM 107 O O . ALA A 1 15 ? 0.153 -10.573 -0.726 1.00 97.36 15 A 1 ATOM 108 C CB . ALA A 1 15 ? -1.755 -7.874 -1.126 1.00 97.02 15 A 1 ATOM 109 N N . GLY A 1 16 ? 1.226 -8.708 -1.342 1.00 97.44 16 A 1 ATOM 110 C CA . GLY A 1 16 ? 2.301 -9.436 -2.007 1.00 97.19 16 A 1 ATOM 111 C C . GLY A 1 16 ? 3.112 -10.264 -1.033 1.00 97.69 16 A 1 ATOM 112 O O . GLY A 1 16 ? 3.467 -11.410 -1.313 1.00 97.28 16 A 1 ATOM 113 N N . GLN A 1 17 ? 3.400 -9.700 0.129 1.00 97.50 17 A 1 ATOM 114 C CA . GLN A 1 17 ? 4.171 -10.388 1.164 1.00 97.33 17 A 1 ATOM 115 C C . GLN A 1 17 ? 3.380 -11.550 1.746 1.00 97.74 17 A 1 ATOM 116 O O . GLN A 1 17 ? 3.936 -12.612 2.026 1.00 96.82 17 A 1 ATOM 117 C CB . GLN A 1 17 ? 4.527 -9.393 2.275 1.00 96.51 17 A 1 ATOM 118 C CG . GLN A 1 17 ? 5.648 -8.455 1.856 1.00 92.98 17 A 1 ATOM 119 C CD . GLN A 1 17 ? 6.974 -8.862 2.480 1.00 89.15 17 A 1 ATOM 120 O OE1 . GLN A 1 17 ? 7.077 -9.014 3.691 1.00 83.23 17 A 1 ATOM 121 N NE2 . GLN A 1 17 ? 7.993 -9.049 1.666 1.00 82.57 17 A 1 ATOM 122 N N . ALA A 1 18 ? 2.090 -11.357 1.934 1.00 96.92 18 A 1 ATOM 123 C CA . ALA A 1 18 ? 1.226 -12.386 2.502 1.00 96.93 18 A 1 ATOM 124 C C . ALA A 1 18 ? 1.102 -13.590 1.573 1.00 97.36 18 A 1 ATOM 125 O O . ALA A 1 18 ? 1.181 -14.734 2.020 1.00 96.08 18 A 1 ATOM 126 C CB . ALA A 1 18 ? -0.150 -11.803 2.796 1.00 96.34 18 A 1 ATOM 127 N N . LEU A 1 19 ? 0.889 -13.341 0.287 1.00 95.54 19 A 1 ATOM 128 C CA . LEU A 1 19 ? 0.737 -14.429 -0.682 1.00 95.40 19 A 1 ATOM 129 C C . LEU A 1 19 ? 2.073 -15.088 -1.005 1.00 96.10 19 A 1 ATOM 130 O O . LEU A 1 19 ? 2.111 -16.224 -1.489 1.00 94.94 19 A 1 ATOM 131 C CB . LEU A 1 19 ? 0.068 -13.902 -1.957 1.00 94.51 19 A 1 ATOM 132 C CG . LEU A 1 19 ? 0.911 -12.917 -2.770 1.00 90.59 19 A 1 ATOM 133 C CD1 . LEU A 1 19 ? 1.769 -13.638 -3.799 1.00 86.83 19 A 1 ATOM 134 C CD2 . LEU A 1 19 ? 0.003 -11.919 -3.468 1.00 84.46 19 A 1 ATOM 135 N N . ALA A 1 20 ? 3.165 -14.394 -0.748 1.00 92.45 20 A 1 ATOM 136 C CA . ALA A 1 20 ? 4.491 -14.919 -1.032 1.00 90.55 20 A 1 ATOM 137 C C . ALA A 1 20 ? 4.830 -16.095 -0.114 1.00 88.93 20 A 1 ATOM 138 O O . ALA A 1 20 ? 4.245 -16.211 0.977 1.00 84.36 20 A 1 ATOM 139 C CB . ALA A 1 20 ? 5.531 -13.805 -0.901 1.00 85.92 20 A 1 ATOM 140 O OXT . ALA A 1 20 ? 5.690 -16.902 -0.463 1.00 79.52 20 A 1 #