# 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_spkb40368 # _entry.id spkb40368 # 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" "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" "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 PRO 2 1 n THR 3 1 n MET 4 1 n ASN 5 1 n ARG 6 1 n SER 7 1 n ARG 8 1 n ARG 9 1 n LEU 10 1 n ALA 11 1 n LEU 12 1 n LEU 13 1 n CYS 14 1 n LEU 15 1 n GLY 16 1 n ALA 17 1 n PRO 18 1 n LEU 19 1 n LEU 20 1 n LEU 21 1 n ALA 22 1 n ALA 23 # _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 @ 2025-07-05 07:33:09)" _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 83.07 _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 68.86 1 1 A PRO 2 2 76.22 1 2 A THR 3 2 77.63 1 3 A MET 4 2 74.11 1 4 A ASN 5 2 80.87 1 5 A ARG 6 2 76.70 1 6 A SER 7 2 85.31 1 7 A ARG 8 2 77.65 1 8 A ARG 9 2 78.57 1 9 A LEU 10 2 84.99 1 10 A ALA 11 2 89.54 1 11 A LEU 12 2 86.05 1 12 A LEU 13 2 87.57 1 13 A CYS 14 2 88.63 1 14 A LEU 15 2 87.21 1 15 A GLY 16 2 91.83 1 16 A ALA 17 2 91.35 1 17 A PRO 18 2 90.43 1 18 A LEU 19 2 87.66 1 19 A LEU 20 2 88.28 1 20 A LEU 21 2 87.45 1 21 A ALA 22 2 91.26 1 22 A ALA 23 2 82.78 1 23 # _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 PRO . 2 A 2 A 3 1 n THR . 3 A 3 A 4 1 n MET . 4 A 4 A 5 1 n ASN . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n SER . 7 A 7 A 8 1 n ARG . 8 A 8 A 9 1 n ARG . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n ALA . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n CYS . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n ALA . 17 A 17 A 18 1 n PRO . 18 A 18 A 19 1 n LEU . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n LEU . 21 A 21 A 22 1 n ALA . 22 A 22 A 23 1 n ALA . 23 A 23 # _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 ? 6.035 -12.104 6.572 1.00 73.67 1 A 1 ATOM 2 C CA . MET A 1 1 ? 5.206 -13.002 5.753 1.00 75.63 1 A 1 ATOM 3 C C . MET A 1 1 ? 4.446 -12.201 4.695 1.00 77.67 1 A 1 ATOM 4 O O . MET A 1 1 ? 3.577 -11.407 5.043 1.00 71.87 1 A 1 ATOM 5 C CB . MET A 1 1 ? 4.200 -13.745 6.637 1.00 69.87 1 A 1 ATOM 6 C CG . MET A 1 1 ? 4.896 -14.676 7.623 1.00 65.69 1 A 1 ATOM 7 S SD . MET A 1 1 ? 3.714 -15.538 8.669 1.00 60.87 1 A 1 ATOM 8 C CE . MET A 1 1 ? 4.834 -16.538 9.638 1.00 55.62 1 A 1 ATOM 9 N N . PRO A 1 2 ? 4.767 -12.361 3.436 1.00 76.73 2 A 1 ATOM 10 C CA . PRO A 1 2 ? 4.119 -11.617 2.343 1.00 78.86 2 A 1 ATOM 11 C C . PRO A 1 2 ? 2.732 -12.171 2.027 1.00 81.32 2 A 1 ATOM 12 O O . PRO A 1 2 ? 2.597 -13.168 1.315 1.00 75.96 2 A 1 ATOM 13 C CB . PRO A 1 2 ? 5.074 -11.823 1.165 1.00 74.11 2 A 1 ATOM 14 C CG . PRO A 1 2 ? 5.759 -13.123 1.445 1.00 71.10 2 A 1 ATOM 15 C CD . PRO A 1 2 ? 5.821 -13.244 2.956 1.00 75.47 2 A 1 ATOM 16 N N . THR A 1 3 ? 1.708 -11.525 2.544 1.00 81.55 3 A 1 ATOM 17 C CA . THR A 1 3 ? 0.335 -11.940 2.297 1.00 82.29 3 A 1 ATOM 18 C C . THR A 1 3 ? -0.286 -11.086 1.198 1.00 83.40 3 A 1 ATOM 19 O O . THR A 1 3 ? -0.086 -9.871 1.157 1.00 79.20 3 A 1 ATOM 20 C CB . THR A 1 3 ? -0.514 -11.827 3.566 1.00 78.75 3 A 1 ATOM 21 O OG1 . THR A 1 3 ? -0.437 -10.513 4.097 1.00 69.65 3 A 1 ATOM 22 C CG2 . THR A 1 3 ? -0.040 -12.814 4.610 1.00 68.56 3 A 1 ATOM 23 N N . MET A 1 4 ? -1.034 -11.723 0.321 1.00 80.73 4 A 1 ATOM 24 C CA . MET A 1 4 ? -1.666 -11.018 -0.793 1.00 80.78 4 A 1 ATOM 25 C C . MET A 1 4 ? -2.643 -9.958 -0.294 1.00 83.55 4 A 1 ATOM 26 O O . MET A 1 4 ? -2.689 -8.849 -0.818 1.00 78.72 4 A 1 ATOM 27 C CB . MET A 1 4 ? -2.387 -12.011 -1.698 1.00 77.46 4 A 1 ATOM 28 C CG . MET A 1 4 ? -1.443 -12.992 -2.356 1.00 69.89 4 A 1 ATOM 29 S SD . MET A 1 4 ? -2.286 -14.178 -3.408 1.00 63.97 4 A 1 ATOM 30 C CE . MET A 1 4 ? -2.733 -13.109 -4.772 1.00 57.80 4 A 1 ATOM 31 N N . ASN A 1 5 ? -3.411 -10.303 0.738 1.00 84.48 5 A 1 ATOM 32 C CA . ASN A 1 5 ? -4.374 -9.365 1.310 1.00 85.10 5 A 1 ATOM 33 C C . ASN A 1 5 ? -3.678 -8.149 1.902 1.00 86.98 5 A 1 ATOM 34 O O . ASN A 1 5 ? -4.114 -7.018 1.720 1.00 85.69 5 A 1 ATOM 35 C CB . ASN A 1 5 ? -5.196 -10.069 2.389 1.00 83.19 5 A 1 ATOM 36 C CG . ASN A 1 5 ? -6.033 -11.183 1.801 1.00 78.05 5 A 1 ATOM 37 O OD1 . ASN A 1 5 ? -5.761 -12.346 2.010 1.00 71.82 5 A 1 ATOM 38 N ND2 . ASN A 1 5 ? -7.059 -10.823 1.049 1.00 71.61 5 A 1 ATOM 39 N N . ARG A 1 6 ? -2.586 -8.391 2.606 1.00 87.22 6 A 1 ATOM 40 C CA . ARG A 1 6 ? -1.826 -7.303 3.218 1.00 87.21 6 A 1 ATOM 41 C C . ARG A 1 6 ? -1.167 -6.447 2.150 1.00 88.81 6 A 1 ATOM 42 O O . ARG A 1 6 ? -1.156 -5.220 2.251 1.00 86.57 6 A 1 ATOM 43 C CB . ARG A 1 6 ? -0.782 -7.870 4.171 1.00 85.05 6 A 1 ATOM 44 C CG . ARG A 1 6 ? -0.172 -6.792 5.052 1.00 77.26 6 A 1 ATOM 45 C CD . ARG A 1 6 ? 0.800 -7.394 6.038 1.00 74.41 6 A 1 ATOM 46 N NE . ARG A 1 6 ? 1.300 -6.377 6.978 1.00 69.03 6 A 1 ATOM 47 C CZ . ARG A 1 6 ? 0.643 -5.992 8.067 1.00 66.22 6 A 1 ATOM 48 N NH1 . ARG A 1 6 ? -0.529 -6.512 8.366 1.00 61.20 6 A 1 ATOM 49 N NH2 . ARG A 1 6 ? 1.164 -5.070 8.856 1.00 60.69 6 A 1 ATOM 50 N N . SER A 1 7 ? -0.635 -7.077 1.133 1.00 88.63 7 A 1 ATOM 51 C CA . SER A 1 7 ? 0.009 -6.357 0.035 1.00 88.53 7 A 1 ATOM 52 C C . SER A 1 7 ? -0.992 -5.462 -0.686 1.00 88.99 7 A 1 ATOM 53 O O . SER A 1 7 ? -0.670 -4.338 -1.071 1.00 86.35 7 A 1 ATOM 54 C CB . SER A 1 7 ? 0.625 -7.337 -0.954 1.00 86.31 7 A 1 ATOM 55 O OG . SER A 1 7 ? 1.639 -8.098 -0.321 1.00 73.04 7 A 1 ATOM 56 N N . ARG A 1 8 ? -2.206 -5.956 -0.858 1.00 88.09 8 A 1 ATOM 57 C CA . ARG A 1 8 ? -3.258 -5.172 -1.509 1.00 88.09 8 A 1 ATOM 58 C C . ARG A 1 8 ? -3.618 -3.957 -0.668 1.00 89.58 8 A 1 ATOM 59 O O . ARG A 1 8 ? -3.807 -2.862 -1.196 1.00 87.11 8 A 1 ATOM 60 C CB . ARG A 1 8 ? -4.504 -6.035 -1.724 1.00 86.74 8 A 1 ATOM 61 C CG . ARG A 1 8 ? -4.247 -7.149 -2.728 1.00 79.33 8 A 1 ATOM 62 C CD . ARG A 1 8 ? -4.022 -6.588 -4.122 1.00 76.35 8 A 1 ATOM 63 N NE . ARG A 1 8 ? -2.875 -7.225 -4.772 1.00 70.12 8 A 1 ATOM 64 C CZ . ARG A 1 8 ? -2.906 -8.425 -5.323 1.00 66.81 8 A 1 ATOM 65 N NH1 . ARG A 1 8 ? -3.997 -9.156 -5.322 1.00 61.24 8 A 1 ATOM 66 N NH2 . ARG A 1 8 ? -1.807 -8.922 -5.881 1.00 60.70 8 A 1 ATOM 67 N N . ARG A 1 9 ? -3.698 -4.137 0.650 1.00 87.62 9 A 1 ATOM 68 C CA . ARG A 1 9 ? -4.023 -3.029 1.542 1.00 87.91 9 A 1 ATOM 69 C C . ARG A 1 9 ? -2.914 -1.981 1.515 1.00 89.46 9 A 1 ATOM 70 O O . ARG A 1 9 ? -3.195 -0.784 1.477 1.00 87.56 9 A 1 ATOM 71 C CB . ARG A 1 9 ? -4.223 -3.545 2.961 1.00 86.73 9 A 1 ATOM 72 C CG . ARG A 1 9 ? -4.702 -2.461 3.918 1.00 80.83 9 A 1 ATOM 73 C CD . ARG A 1 9 ? -5.987 -1.820 3.428 1.00 78.04 9 A 1 ATOM 74 N NE . ARG A 1 9 ? -6.501 -0.823 4.369 1.00 72.32 9 A 1 ATOM 75 C CZ . ARG A 1 9 ? -7.281 -1.109 5.396 1.00 68.75 9 A 1 ATOM 76 N NH1 . ARG A 1 9 ? -7.643 -2.344 5.644 1.00 63.08 9 A 1 ATOM 77 N NH2 . ARG A 1 9 ? -7.699 -0.137 6.196 1.00 61.93 9 A 1 ATOM 78 N N . LEU A 1 10 ? -1.671 -2.430 1.525 1.00 89.34 10 A 1 ATOM 79 C CA . LEU A 1 10 ? -0.534 -1.517 1.467 1.00 88.54 10 A 1 ATOM 80 C C . LEU A 1 10 ? -0.533 -0.735 0.159 1.00 90.07 10 A 1 ATOM 81 O O . LEU A 1 10 ? -0.269 0.465 0.148 1.00 88.02 10 A 1 ATOM 82 C CB . LEU A 1 10 ? 0.771 -2.302 1.605 1.00 87.61 10 A 1 ATOM 83 C CG . LEU A 1 10 ? 1.011 -2.859 3.004 1.00 81.10 10 A 1 ATOM 84 C CD1 . LEU A 1 10 ? 2.190 -3.819 2.995 1.00 77.98 10 A 1 ATOM 85 C CD2 . LEU A 1 10 ? 1.265 -1.728 3.993 1.00 77.25 10 A 1 ATOM 86 N N . ALA A 1 11 ? -0.836 -1.412 -0.925 1.00 89.92 11 A 1 ATOM 87 C CA . ALA A 1 11 ? -0.893 -0.759 -2.228 1.00 89.53 11 A 1 ATOM 88 C C . ALA A 1 11 ? -1.995 0.297 -2.262 1.00 91.04 11 A 1 ATOM 89 O O . ALA A 1 11 ? -1.803 1.389 -2.796 1.00 88.97 11 A 1 ATOM 90 C CB . ALA A 1 11 ? -1.130 -1.796 -3.321 1.00 88.23 11 A 1 ATOM 91 N N . LEU A 1 12 ? -3.138 -0.023 -1.674 1.00 89.74 12 A 1 ATOM 92 C CA . LEU A 1 12 ? -4.254 0.915 -1.626 1.00 89.22 12 A 1 ATOM 93 C C . LEU A 1 12 ? -3.908 2.132 -0.780 1.00 90.68 12 A 1 ATOM 94 O O . LEU A 1 12 ? -4.286 3.253 -1.116 1.00 88.65 12 A 1 ATOM 95 C CB . LEU A 1 12 ? -5.490 0.223 -1.051 1.00 88.66 12 A 1 ATOM 96 C CG . LEU A 1 12 ? -6.097 -0.814 -1.992 1.00 82.79 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? -7.138 -1.641 -1.257 1.00 79.72 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? -6.733 -0.131 -3.196 1.00 78.93 12 A 1 ATOM 99 N N . LEU A 1 13 ? -3.191 1.917 0.312 1.00 90.63 13 A 1 ATOM 100 C CA . LEU A 1 13 ? -2.780 3.017 1.175 1.00 90.10 13 A 1 ATOM 101 C C . LEU A 1 13 ? -1.742 3.887 0.484 1.00 91.66 13 A 1 ATOM 102 O O . LEU A 1 13 ? -1.824 5.115 0.529 1.00 89.73 13 A 1 ATOM 103 C CB . LEU A 1 13 ? -2.217 2.466 2.487 1.00 89.72 13 A 1 ATOM 104 C CG . LEU A 1 13 ? -3.276 1.850 3.394 1.00 85.47 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? -2.608 1.092 4.535 1.00 81.80 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? -4.193 2.929 3.953 1.00 81.48 13 A 1 ATOM 107 N N . CYS A 1 14 ? -0.778 3.262 -0.159 1.00 90.51 14 A 1 ATOM 108 C CA . CYS A 1 14 ? 0.279 3.989 -0.847 1.00 90.29 14 A 1 ATOM 109 C C . CYS A 1 14 ? -0.262 4.794 -2.024 1.00 91.23 14 A 1 ATOM 110 O O . CYS A 1 14 ? 0.283 5.841 -2.367 1.00 89.06 14 A 1 ATOM 111 C CB . CYS A 1 14 ? 1.357 3.017 -1.332 1.00 88.20 14 A 1 ATOM 112 S SG . CYS A 1 14 ? 2.276 2.275 0.029 1.00 82.51 14 A 1 ATOM 113 N N . LEU A 1 15 ? -1.322 4.294 -2.635 1.00 90.94 15 A 1 ATOM 114 C CA . LEU A 1 15 ? -1.901 4.965 -3.794 1.00 90.91 15 A 1 ATOM 115 C C . LEU A 1 15 ? -3.176 5.726 -3.454 1.00 92.49 15 A 1 ATOM 116 O O . LEU A 1 15 ? -3.688 6.472 -4.292 1.00 90.12 15 A 1 ATOM 117 C CB . LEU A 1 15 ? -2.196 3.926 -4.884 1.00 89.10 15 A 1 ATOM 118 C CG . LEU A 1 15 ? -0.962 3.197 -5.409 1.00 84.65 15 A 1 ATOM 119 C CD1 . LEU A 1 15 ? -1.376 2.039 -6.310 1.00 80.14 15 A 1 ATOM 120 C CD2 . LEU A 1 15 ? -0.067 4.157 -6.177 1.00 79.31 15 A 1 ATOM 121 N N . GLY A 1 16 ? -3.682 5.531 -2.234 1.00 91.46 16 A 1 ATOM 122 C CA . GLY A 1 16 ? -4.950 6.145 -1.860 1.00 91.28 16 A 1 ATOM 123 C C . GLY A 1 16 ? -4.862 7.184 -0.762 1.00 92.81 16 A 1 ATOM 124 O O . GLY A 1 16 ? -5.662 8.117 -0.730 1.00 91.75 16 A 1 ATOM 125 N N . ALA A 1 17 ? -3.903 7.038 0.155 1.00 91.63 17 A 1 ATOM 126 C CA . ALA A 1 17 ? -3.775 7.975 1.271 1.00 91.56 17 A 1 ATOM 127 C C . ALA A 1 17 ? -2.592 8.933 1.111 1.00 92.97 17 A 1 ATOM 128 O O . ALA A 1 17 ? -2.786 10.149 1.084 1.00 90.79 17 A 1 ATOM 129 C CB . ALA A 1 17 ? -3.693 7.214 2.590 1.00 89.80 17 A 1 ATOM 130 N N . PRO A 1 18 ? -1.363 8.407 1.016 1.00 92.51 18 A 1 ATOM 131 C CA . PRO A 1 18 ? -0.189 9.283 0.869 1.00 91.39 18 A 1 ATOM 132 C C . PRO A 1 18 ? -0.290 10.199 -0.341 1.00 92.48 18 A 1 ATOM 133 O O . PRO A 1 18 ? 0.282 11.286 -0.349 1.00 90.12 18 A 1 ATOM 134 C CB . PRO A 1 18 ? 0.977 8.302 0.703 1.00 89.06 18 A 1 ATOM 135 C CG . PRO A 1 18 ? 0.496 7.042 1.322 1.00 86.91 18 A 1 ATOM 136 C CD . PRO A 1 18 ? -0.995 7.012 1.085 1.00 90.53 18 A 1 ATOM 137 N N . LEU A 1 19 ? -1.012 9.764 -1.356 1.00 90.54 19 A 1 ATOM 138 C CA . LEU A 1 19 ? -1.186 10.567 -2.562 1.00 90.83 19 A 1 ATOM 139 C C . LEU A 1 19 ? -1.894 11.877 -2.246 1.00 92.34 19 A 1 ATOM 140 O O . LEU A 1 19 ? -1.516 12.937 -2.749 1.00 90.20 19 A 1 ATOM 141 C CB . LEU A 1 19 ? -1.984 9.776 -3.597 1.00 89.52 19 A 1 ATOM 142 C CG . LEU A 1 19 ? -1.934 10.381 -4.997 1.00 85.70 19 A 1 ATOM 143 C CD1 . LEU A 1 19 ? -0.531 10.265 -5.573 1.00 81.89 19 A 1 ATOM 144 C CD2 . LEU A 1 19 ? -2.936 9.684 -5.907 1.00 80.23 19 A 1 ATOM 145 N N . LEU A 1 20 ? -2.920 11.812 -1.407 1.00 91.80 20 A 1 ATOM 146 C CA . LEU A 1 20 ? -3.665 13.003 -1.013 1.00 91.30 20 A 1 ATOM 147 C C . LEU A 1 20 ? -2.818 13.919 -0.141 1.00 92.74 20 A 1 ATOM 148 O O . LEU A 1 20 ? -2.931 15.139 -0.224 1.00 91.10 20 A 1 ATOM 149 C CB . LEU A 1 20 ? -4.935 12.614 -0.264 1.00 90.44 20 A 1 ATOM 150 C CG . LEU A 1 20 ? -6.127 12.357 -1.183 1.00 86.48 20 A 1 ATOM 151 C CD1 . LEU A 1 20 ? -5.911 11.119 -2.038 1.00 81.98 20 A 1 ATOM 152 C CD2 . LEU A 1 20 ? -7.397 12.220 -0.366 1.00 80.41 20 A 1 ATOM 153 N N . LEU A 1 21 ? -1.970 13.326 0.684 1.00 92.18 21 A 1 ATOM 154 C CA . LEU A 1 21 ? -1.096 14.103 1.557 1.00 91.62 21 A 1 ATOM 155 C C . LEU A 1 21 ? -0.034 14.838 0.752 1.00 93.11 21 A 1 ATOM 156 O O . LEU A 1 21 ? 0.341 15.962 1.087 1.00 92.16 21 A 1 ATOM 157 C CB . LEU A 1 21 ? -0.425 13.180 2.575 1.00 90.43 21 A 1 ATOM 158 C CG . LEU A 1 21 ? -1.394 12.566 3.579 1.00 84.26 21 A 1 ATOM 159 C CD1 . LEU A 1 21 ? -0.681 11.513 4.413 1.00 78.59 21 A 1 ATOM 160 C CD2 . LEU A 1 21 ? -1.979 13.640 4.482 1.00 77.28 21 A 1 ATOM 161 N N . ALA A 1 22 ? 0.451 14.202 -0.293 1.00 91.85 22 A 1 ATOM 162 C CA . ALA A 1 22 ? 1.469 14.801 -1.150 1.00 91.35 22 A 1 ATOM 163 C C . ALA A 1 22 ? 0.862 15.787 -2.139 1.00 92.11 22 A 1 ATOM 164 O O . ALA A 1 22 ? 1.533 16.722 -2.577 1.00 90.73 22 A 1 ATOM 165 C CB . ALA A 1 22 ? 2.227 13.709 -1.898 1.00 90.28 22 A 1 ATOM 166 N N . ALA A 1 23 ? -0.393 15.583 -2.484 1.00 88.74 23 A 1 ATOM 167 C CA . ALA A 1 23 ? -1.086 16.431 -3.451 1.00 86.47 23 A 1 ATOM 168 C C . ALA A 1 23 ? -1.837 17.564 -2.753 1.00 83.81 23 A 1 ATOM 169 O O . ALA A 1 23 ? -2.584 18.299 -3.411 1.00 81.21 23 A 1 ATOM 170 C CB . ALA A 1 23 ? -2.037 15.582 -4.292 1.00 82.74 23 A 1 ATOM 171 O OXT . ALA A 1 23 ? -1.695 17.734 -1.540 1.00 73.70 23 A 1 #