# 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_spkb18228 # _entry.id spkb18228 # 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" "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" "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" "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" # _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 GLN 3 1 n ARG 4 1 n LEU 5 1 n ILE 6 1 n ILE 7 1 n LYS 8 1 n THR 9 1 n ALA 10 1 n LEU 11 1 n SER 12 1 n ALA 13 1 n ALA 14 1 n ILE 15 1 n LEU 16 1 n ALA 17 1 n SER 18 1 n LEU 19 1 n ALA 20 1 n GLY 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 20:25:34)" _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 94.63 _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 85.33 1 1 A ASN 2 2 93.13 1 2 A GLN 3 2 91.80 1 3 A ARG 4 2 87.13 1 4 A LEU 5 2 95.24 1 5 A ILE 6 2 96.78 1 6 A ILE 7 2 96.56 1 7 A LYS 8 2 93.60 1 8 A THR 9 2 97.00 1 9 A ALA 10 2 98.47 1 10 A LEU 11 2 96.41 1 11 A SER 12 2 97.52 1 12 A ALA 13 2 98.48 1 13 A ALA 14 2 98.65 1 14 A ILE 15 2 97.34 1 15 A LEU 16 2 95.99 1 16 A ALA 17 2 98.53 1 17 A SER 18 2 97.08 1 18 A LEU 19 2 96.38 1 19 A ALA 20 2 97.25 1 20 A GLY 21 2 87.59 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 ASN . 2 A 2 A 3 1 n GLN . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n LEU . 5 A 5 A 6 1 n ILE . 6 A 6 A 7 1 n ILE . 7 A 7 A 8 1 n LYS . 8 A 8 A 9 1 n THR . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n ALA . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n ILE . 15 A 15 A 16 1 n LEU . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n ALA . 20 A 20 A 21 1 n GLY . 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 ? -14.717 4.594 10.546 1.00 92.08 1 A 1 ATOM 2 C CA . MET A 1 1 ? -13.280 4.854 10.297 1.00 92.92 1 A 1 ATOM 3 C C . MET A 1 1 ? -12.669 3.716 9.480 1.00 93.58 1 A 1 ATOM 4 O O . MET A 1 1 ? -12.690 2.570 9.911 1.00 91.32 1 A 1 ATOM 5 C CB . MET A 1 1 ? -12.534 4.957 11.626 1.00 87.50 1 A 1 ATOM 6 C CG . MET A 1 1 ? -12.990 6.164 12.434 1.00 80.61 1 A 1 ATOM 7 S SD . MET A 1 1 ? -12.120 6.283 14.009 1.00 76.66 1 A 1 ATOM 8 C CE . MET A 1 1 ? -12.927 7.727 14.684 1.00 67.99 1 A 1 ATOM 9 N N . ASN A 1 2 ? -12.137 4.035 8.314 1.00 96.14 2 A 1 ATOM 10 C CA . ASN A 1 2 ? -11.509 3.026 7.449 1.00 97.02 2 A 1 ATOM 11 C C . ASN A 1 2 ? -10.001 3.287 7.345 1.00 97.50 2 A 1 ATOM 12 O O . ASN A 1 2 ? -9.398 3.104 6.290 1.00 96.74 2 A 1 ATOM 13 C CB . ASN A 1 2 ? -12.159 3.089 6.066 1.00 95.46 2 A 1 ATOM 14 C CG . ASN A 1 2 ? -13.615 2.657 6.130 1.00 90.94 2 A 1 ATOM 15 O OD1 . ASN A 1 2 ? -14.048 2.023 7.073 1.00 87.60 2 A 1 ATOM 16 N ND2 . ASN A 1 2 ? -14.380 3.009 5.109 1.00 83.66 2 A 1 ATOM 17 N N . GLN A 1 3 ? -9.397 3.732 8.436 1.00 97.43 3 A 1 ATOM 18 C CA . GLN A 1 3 ? -7.963 4.044 8.449 1.00 97.59 3 A 1 ATOM 19 C C . GLN A 1 3 ? -7.125 2.781 8.233 1.00 97.95 3 A 1 ATOM 20 O O . GLN A 1 3 ? -6.027 2.846 7.680 1.00 96.66 3 A 1 ATOM 21 C CB . GLN A 1 3 ? -7.600 4.693 9.787 1.00 96.41 3 A 1 ATOM 22 C CG . GLN A 1 3 ? -8.152 6.120 9.878 1.00 90.95 3 A 1 ATOM 23 C CD . GLN A 1 3 ? -7.904 6.729 11.250 1.00 88.99 3 A 1 ATOM 24 O OE1 . GLN A 1 3 ? -7.771 6.017 12.232 1.00 81.19 3 A 1 ATOM 25 N NE2 . GLN A 1 3 ? -7.830 8.042 11.340 1.00 79.03 3 A 1 ATOM 26 N N . ARG A 1 4 ? -7.652 1.629 8.650 1.00 98.12 4 A 1 ATOM 27 C CA . ARG A 1 4 ? -6.923 0.364 8.471 1.00 98.28 4 A 1 ATOM 28 C C . ARG A 1 4 ? -6.707 0.083 6.989 1.00 98.57 4 A 1 ATOM 29 O O . ARG A 1 4 ? -5.679 -0.463 6.594 1.00 98.14 4 A 1 ATOM 30 C CB . ARG A 1 4 ? -7.710 -0.786 9.107 1.00 97.74 4 A 1 ATOM 31 C CG . ARG A 1 4 ? -7.760 -0.659 10.630 1.00 92.42 4 A 1 ATOM 32 C CD . ARG A 1 4 ? -8.467 -1.849 11.251 1.00 87.21 4 A 1 ATOM 33 N NE . ARG A 1 4 ? -8.620 -1.684 12.707 1.00 79.38 4 A 1 ATOM 34 C CZ . ARG A 1 4 ? -7.663 -1.925 13.588 1.00 74.83 4 A 1 ATOM 35 N NH1 . ARG A 1 4 ? -6.472 -2.327 13.205 1.00 68.09 4 A 1 ATOM 36 N NH2 . ARG A 1 4 ? -7.908 -1.763 14.876 1.00 65.60 4 A 1 ATOM 37 N N . LEU A 1 5 ? -7.665 0.459 6.155 1.00 98.18 5 A 1 ATOM 38 C CA . LEU A 1 5 ? -7.557 0.255 4.708 1.00 98.23 5 A 1 ATOM 39 C C . LEU A 1 5 ? -6.437 1.124 4.133 1.00 98.46 5 A 1 ATOM 40 O O . LEU A 1 5 ? -5.698 0.693 3.246 1.00 98.29 5 A 1 ATOM 41 C CB . LEU A 1 5 ? -8.891 0.610 4.051 1.00 97.91 5 A 1 ATOM 42 C CG . LEU A 1 5 ? -8.881 0.351 2.548 1.00 92.10 5 A 1 ATOM 43 C CD1 . LEU A 1 5 ? -8.756 -1.147 2.271 1.00 89.32 5 A 1 ATOM 44 C CD2 . LEU A 1 5 ? -10.171 0.875 1.921 1.00 89.40 5 A 1 ATOM 45 N N . ILE A 1 6 ? -6.305 2.342 4.647 1.00 98.34 6 A 1 ATOM 46 C CA . ILE A 1 6 ? -5.268 3.267 4.179 1.00 98.29 6 A 1 ATOM 47 C C . ILE A 1 6 ? -3.884 2.707 4.501 1.00 98.38 6 A 1 ATOM 48 O O . ILE A 1 6 ? -2.966 2.779 3.682 1.00 98.28 6 A 1 ATOM 49 C CB . ILE A 1 6 ? -5.453 4.643 4.834 1.00 98.03 6 A 1 ATOM 50 C CG1 . ILE A 1 6 ? -6.806 5.243 4.422 1.00 96.12 6 A 1 ATOM 51 C CG2 . ILE A 1 6 ? -4.314 5.580 4.421 1.00 96.00 6 A 1 ATOM 52 C CD1 . ILE A 1 6 ? -7.174 6.461 5.261 1.00 90.84 6 A 1 ATOM 53 N N . ILE A 1 7 ? -3.740 2.140 5.693 1.00 98.26 7 A 1 ATOM 54 C CA . ILE A 1 7 ? -2.454 1.575 6.115 1.00 98.17 7 A 1 ATOM 55 C C . ILE A 1 7 ? -2.065 0.411 5.203 1.00 98.24 7 A 1 ATOM 56 O O . ILE A 1 7 ? -0.917 0.303 4.768 1.00 98.01 7 A 1 ATOM 57 C CB . ILE A 1 7 ? -2.537 1.106 7.577 1.00 97.97 7 A 1 ATOM 58 C CG1 . ILE A 1 7 ? -2.780 2.311 8.501 1.00 95.64 7 A 1 ATOM 59 C CG2 . ILE A 1 7 ? -1.235 0.398 7.973 1.00 95.65 7 A 1 ATOM 60 C CD1 . ILE A 1 7 ? -3.200 1.890 9.905 1.00 90.58 7 A 1 ATOM 61 N N . LYS A 1 8 ? -3.027 -0.459 4.911 1.00 98.57 8 A 1 ATOM 62 C CA . LYS A 1 8 ? -2.760 -1.613 4.039 1.00 98.54 8 A 1 ATOM 63 C C . LYS A 1 8 ? -2.395 -1.148 2.634 1.00 98.58 8 A 1 ATOM 64 O O . LYS A 1 8 ? -1.484 -1.694 2.011 1.00 98.48 8 A 1 ATOM 65 C CB . LYS A 1 8 ? -3.989 -2.517 3.991 1.00 98.36 8 A 1 ATOM 66 C CG . LYS A 1 8 ? -3.833 -3.703 4.928 1.00 94.42 8 A 1 ATOM 67 C CD . LYS A 1 8 ? -4.815 -4.811 4.577 1.00 90.74 8 A 1 ATOM 68 C CE . LYS A 1 8 ? -4.303 -6.164 5.046 1.00 86.01 8 A 1 ATOM 69 N NZ . LYS A 1 8 ? -4.215 -6.223 6.530 1.00 78.74 8 A 1 ATOM 70 N N . THR A 1 9 ? -3.091 -0.144 2.135 1.00 98.43 9 A 1 ATOM 71 C CA . THR A 1 9 ? -2.822 0.385 0.796 1.00 98.34 9 A 1 ATOM 72 C C . THR A 1 9 ? -1.419 0.987 0.740 1.00 98.45 9 A 1 ATOM 73 O O . THR A 1 9 ? -0.688 0.784 -0.232 1.00 98.17 9 A 1 ATOM 74 C CB . THR A 1 9 ? -3.857 1.457 0.438 1.00 98.02 9 A 1 ATOM 75 O OG1 . THR A 1 9 ? -5.163 0.889 0.536 1.00 94.57 9 A 1 ATOM 76 C CG2 . THR A 1 9 ? -3.650 1.948 -0.990 1.00 93.05 9 A 1 ATOM 77 N N . ALA A 1 10 ? -1.039 1.714 1.782 1.00 98.50 10 A 1 ATOM 78 C CA . ALA A 1 10 ? 0.281 2.338 1.844 1.00 98.53 10 A 1 ATOM 79 C C . ALA A 1 10 ? 1.381 1.274 1.865 1.00 98.62 10 A 1 ATOM 80 O O . ALA A 1 10 ? 2.407 1.419 1.202 1.00 98.36 10 A 1 ATOM 81 C CB . ALA A 1 10 ? 0.371 3.218 3.086 1.00 98.35 10 A 1 ATOM 82 N N . LEU A 1 11 ? 1.160 0.201 2.620 1.00 98.56 11 A 1 ATOM 83 C CA . LEU A 1 11 ? 2.142 -0.884 2.707 1.00 98.52 11 A 1 ATOM 84 C C . LEU A 1 11 ? 2.297 -1.569 1.353 1.00 98.64 11 A 1 ATOM 85 O O . LEU A 1 11 ? 3.413 -1.871 0.927 1.00 98.45 11 A 1 ATOM 86 C CB . LEU A 1 11 ? 1.679 -1.895 3.755 1.00 98.30 11 A 1 ATOM 87 C CG . LEU A 1 11 ? 1.870 -1.383 5.183 1.00 94.34 11 A 1 ATOM 88 C CD1 . LEU A 1 11 ? 1.121 -2.264 6.168 1.00 91.56 11 A 1 ATOM 89 C CD2 . LEU A 1 11 ? 3.355 -1.362 5.539 1.00 92.94 11 A 1 ATOM 90 N N . SER A 1 12 ? 1.194 -1.817 0.665 1.00 98.63 12 A 1 ATOM 91 C CA . SER A 1 12 ? 1.235 -2.461 -0.651 1.00 98.61 12 A 1 ATOM 92 C C . SER A 1 12 ? 1.996 -1.589 -1.646 1.00 98.70 12 A 1 ATOM 93 O O . SER A 1 12 ? 2.796 -2.087 -2.437 1.00 98.46 12 A 1 ATOM 94 C CB . SER A 1 12 ? -0.187 -2.702 -1.152 1.00 98.29 12 A 1 ATOM 95 O OG . SER A 1 12 ? -0.833 -3.639 -0.314 1.00 92.46 12 A 1 ATOM 96 N N . ALA A 1 13 ? 1.753 -0.288 -1.604 1.00 98.60 13 A 1 ATOM 97 C CA . ALA A 1 13 ? 2.433 0.646 -2.503 1.00 98.56 13 A 1 ATOM 98 C C . ALA A 1 13 ? 3.932 0.675 -2.215 1.00 98.69 13 A 1 ATOM 99 O O . ALA A 1 13 ? 4.746 0.735 -3.139 1.00 98.37 13 A 1 ATOM 100 C CB . ALA A 1 13 ? 1.834 2.038 -2.336 1.00 98.17 13 A 1 ATOM 101 N N . ALA A 1 14 ? 4.299 0.619 -0.937 1.00 98.72 14 A 1 ATOM 102 C CA . ALA A 1 14 ? 5.708 0.633 -0.541 1.00 98.72 14 A 1 ATOM 103 C C . ALA A 1 14 ? 6.427 -0.619 -1.043 1.00 98.79 14 A 1 ATOM 104 O O . ALA A 1 14 ? 7.568 -0.552 -1.498 1.00 98.54 14 A 1 ATOM 105 C CB . ALA A 1 14 ? 5.812 0.726 0.979 1.00 98.48 14 A 1 ATOM 106 N N . ILE A 1 15 ? 5.757 -1.766 -0.962 1.00 98.70 15 A 1 ATOM 107 C CA . ILE A 1 15 ? 6.342 -3.029 -1.427 1.00 98.66 15 A 1 ATOM 108 C C . ILE A 1 15 ? 6.582 -2.968 -2.933 1.00 98.71 15 A 1 ATOM 109 O O . ILE A 1 15 ? 7.638 -3.377 -3.419 1.00 98.51 15 A 1 ATOM 110 C CB . ILE A 1 15 ? 5.411 -4.203 -1.081 1.00 98.47 15 A 1 ATOM 111 C CG1 . ILE A 1 15 ? 5.351 -4.381 0.443 1.00 96.94 15 A 1 ATOM 112 C CG2 . ILE A 1 15 ? 5.925 -5.493 -1.732 1.00 96.39 15 A 1 ATOM 113 C CD1 . ILE A 1 15 ? 4.184 -5.255 0.879 1.00 92.34 15 A 1 ATOM 114 N N . LEU A 1 16 ? 5.611 -2.461 -3.674 1.00 98.72 16 A 1 ATOM 115 C CA . LEU A 1 16 ? 5.745 -2.352 -5.131 1.00 98.61 16 A 1 ATOM 116 C C . LEU A 1 16 ? 6.873 -1.392 -5.490 1.00 98.64 16 A 1 ATOM 117 O O . LEU A 1 16 ? 7.644 -1.651 -6.415 1.00 98.28 16 A 1 ATOM 118 C CB . LEU A 1 16 ? 4.424 -1.854 -5.721 1.00 98.23 16 A 1 ATOM 119 C CG . LEU A 1 16 ? 3.333 -2.926 -5.691 1.00 94.04 16 A 1 ATOM 120 C CD1 . LEU A 1 16 ? 1.973 -2.301 -5.974 1.00 90.74 16 A 1 ATOM 121 C CD2 . LEU A 1 16 ? 3.629 -4.009 -6.728 1.00 90.69 16 A 1 ATOM 122 N N . ALA A 1 17 ? 6.977 -0.296 -4.761 1.00 98.73 17 A 1 ATOM 123 C CA . ALA A 1 17 ? 8.034 0.689 -5.001 1.00 98.65 17 A 1 ATOM 124 C C . ALA A 1 17 ? 9.410 0.080 -4.735 1.00 98.70 17 A 1 ATOM 125 O O . ALA A 1 17 ? 10.359 0.324 -5.479 1.00 98.26 17 A 1 ATOM 126 C CB . ALA A 1 17 ? 7.813 1.904 -4.111 1.00 98.33 17 A 1 ATOM 127 N N . SER A 1 18 ? 9.521 -0.726 -3.677 1.00 98.58 18 A 1 ATOM 128 C CA . SER A 1 18 ? 10.785 -1.385 -3.331 1.00 98.51 18 A 1 ATOM 129 C C . SER A 1 18 ? 11.142 -2.434 -4.376 1.00 98.60 18 A 1 ATOM 130 O O . SER A 1 18 ? 12.311 -2.613 -4.717 1.00 97.98 18 A 1 ATOM 131 C CB . SER A 1 18 ? 10.674 -2.050 -1.961 1.00 98.01 18 A 1 ATOM 132 O OG . SER A 1 18 ? 11.924 -2.578 -1.586 1.00 90.81 18 A 1 ATOM 133 N N . LEU A 1 19 ? 10.139 -3.141 -4.886 1.00 98.50 19 A 1 ATOM 134 C CA . LEU A 1 19 ? 10.357 -4.175 -5.905 1.00 98.38 19 A 1 ATOM 135 C C . LEU A 1 19 ? 10.837 -3.544 -7.203 1.00 98.43 19 A 1 ATOM 136 O O . LEU A 1 19 ? 11.686 -4.108 -7.898 1.00 97.89 19 A 1 ATOM 137 C CB . LEU A 1 19 ? 9.058 -4.960 -6.128 1.00 98.02 19 A 1 ATOM 138 C CG . LEU A 1 19 ? 9.274 -6.217 -6.983 1.00 95.98 19 A 1 ATOM 139 C CD1 . LEU A 1 19 ? 8.468 -7.382 -6.421 1.00 91.85 19 A 1 ATOM 140 C CD2 . LEU A 1 19 ? 8.867 -5.966 -8.425 1.00 91.98 19 A 1 ATOM 141 N N . ALA A 1 20 ? 10.301 -2.382 -7.549 1.00 98.06 20 A 1 ATOM 142 C CA . ALA A 1 20 ? 10.703 -1.679 -8.772 1.00 97.67 20 A 1 ATOM 143 C C . ALA A 1 20 ? 12.190 -1.339 -8.726 1.00 97.68 20 A 1 ATOM 144 O O . ALA A 1 20 ? 12.874 -1.406 -9.751 1.00 96.22 20 A 1 ATOM 145 C CB . ALA A 1 20 ? 9.868 -0.415 -8.936 1.00 96.64 20 A 1 ATOM 146 N N . GLY A 1 21 ? 12.682 -0.997 -7.521 1.00 94.55 21 A 1 ATOM 147 C CA . GLY A 1 21 ? 14.102 -0.693 -7.346 1.00 90.51 21 A 1 ATOM 148 C C . GLY A 1 21 ? 14.536 0.522 -8.157 1.00 86.96 21 A 1 ATOM 149 O O . GLY A 1 21 ? 15.041 0.359 -9.264 1.00 79.76 21 A 1 ATOM 150 O OXT . GLY A 1 21 ? 14.464 1.612 -7.612 1.00 86.15 21 A 1 #