# 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_spkb23945 # _entry.id spkb23945 # 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 H9 N O4" 147.129 GLU y "GLUTAMIC ACID" C(CC(=O)O)[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" "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" "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 GLU 2 1 n ALA 3 1 n ARG 4 1 n VAL 5 1 n LEU 6 1 n TRP 7 1 n LEU 8 1 n LEU 9 1 n ALA 10 1 n LEU 11 1 n VAL 12 1 n LEU 13 1 n ALA 14 1 n LEU 15 1 n GLY 16 1 n SER 17 1 n SER 18 1 n SER 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 @ 2025-07-07 09:08:08)" _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 92.76 _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 86.98 1 1 A GLU 2 2 87.32 1 2 A ALA 3 2 97.98 1 3 A ARG 4 2 92.60 1 4 A VAL 5 2 97.78 1 5 A LEU 6 2 97.04 1 6 A TRP 7 2 94.33 1 7 A LEU 8 2 96.39 1 8 A LEU 9 2 95.58 1 9 A ALA 10 2 97.83 1 10 A LEU 11 2 95.51 1 11 A VAL 12 2 97.28 1 12 A LEU 13 2 95.20 1 13 A ALA 14 2 97.03 1 14 A LEU 15 2 95.03 1 15 A GLY 16 2 95.62 1 16 A SER 17 2 91.78 1 17 A SER 18 2 88.74 1 18 A SER 19 2 88.17 1 19 A LEU 20 2 84.28 1 20 A ALA 21 2 76.75 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 GLU . 2 A 2 A 3 1 n ALA . 3 A 3 A 4 1 n ARG . 4 A 4 A 5 1 n VAL . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n TRP . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n ALA . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n VAL . 12 A 12 A 13 1 n LEU . 13 A 13 A 14 1 n ALA . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n GLY . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n SER . 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 ? -8.945 -0.247 14.204 1.00 93.75 1 A 1 ATOM 2 C CA . MET A 1 1 ? -8.275 0.596 13.199 1.00 94.69 1 A 1 ATOM 3 C C . MET A 1 1 ? -7.395 -0.237 12.255 1.00 95.96 1 A 1 ATOM 4 O O . MET A 1 1 ? -6.205 0.034 12.103 1.00 94.42 1 A 1 ATOM 5 C CB . MET A 1 1 ? -7.439 1.679 13.888 1.00 89.57 1 A 1 ATOM 6 C CG . MET A 1 1 ? -6.410 1.143 14.863 1.00 82.61 1 A 1 ATOM 7 S SD . MET A 1 1 ? -5.528 2.455 15.740 1.00 77.45 1 A 1 ATOM 8 C CE . MET A 1 1 ? -6.604 2.676 17.130 1.00 67.42 1 A 1 ATOM 9 N N . GLU A 1 2 ? -7.994 -1.245 11.644 1.00 94.80 2 A 1 ATOM 10 C CA . GLU A 1 2 ? -7.254 -2.109 10.725 1.00 96.61 2 A 1 ATOM 11 C C . GLU A 1 2 ? -7.335 -1.608 9.285 1.00 97.68 2 A 1 ATOM 12 O O . GLU A 1 2 ? -6.371 -1.712 8.523 1.00 96.88 2 A 1 ATOM 13 C CB . GLU A 1 2 ? -7.782 -3.536 10.808 1.00 93.34 2 A 1 ATOM 14 C CG . GLU A 1 2 ? -7.052 -4.397 11.824 1.00 80.05 2 A 1 ATOM 15 C CD . GLU A 1 2 ? -7.508 -4.090 13.237 1.00 79.66 2 A 1 ATOM 16 O OE1 . GLU A 1 2 ? -7.223 -2.983 13.730 1.00 71.28 2 A 1 ATOM 17 O OE2 . GLU A 1 2 ? -8.157 -4.956 13.833 1.00 75.55 2 A 1 ATOM 18 N N . ALA A 1 3 ? -8.490 -1.060 8.910 1.00 97.78 3 A 1 ATOM 19 C CA . ALA A 1 3 ? -8.696 -0.547 7.555 1.00 98.21 3 A 1 ATOM 20 C C . ALA A 1 3 ? -7.657 0.509 7.187 1.00 98.45 3 A 1 ATOM 21 O O . ALA A 1 3 ? -7.174 0.556 6.053 1.00 97.93 3 A 1 ATOM 22 C CB . ALA A 1 3 ? -10.103 0.024 7.421 1.00 97.52 3 A 1 ATOM 23 N N . ARG A 1 4 ? -7.306 1.352 8.165 1.00 98.31 4 A 1 ATOM 24 C CA . ARG A 1 4 ? -6.306 2.402 7.957 1.00 98.50 4 A 1 ATOM 25 C C . ARG A 1 4 ? -4.941 1.811 7.626 1.00 98.58 4 A 1 ATOM 26 O O . ARG A 1 4 ? -4.204 2.351 6.809 1.00 98.12 4 A 1 ATOM 27 C CB . ARG A 1 4 ? -6.189 3.288 9.197 1.00 98.17 4 A 1 ATOM 28 C CG . ARG A 1 4 ? -5.380 4.533 8.928 1.00 95.70 4 A 1 ATOM 29 C CD . ARG A 1 4 ? -4.640 4.993 10.167 1.00 92.32 4 A 1 ATOM 30 N NE . ARG A 1 4 ? -5.558 5.504 11.187 1.00 89.20 4 A 1 ATOM 31 C CZ . ARG A 1 4 ? -5.183 5.837 12.410 1.00 87.03 4 A 1 ATOM 32 N NH1 . ARG A 1 4 ? -3.920 5.712 12.792 1.00 82.30 4 A 1 ATOM 33 N NH2 . ARG A 1 4 ? -6.077 6.292 13.265 1.00 80.42 4 A 1 ATOM 34 N N . VAL A 1 5 ? -4.614 0.692 8.260 1.00 98.64 5 A 1 ATOM 35 C CA . VAL A 1 5 ? -3.337 0.013 8.031 1.00 98.65 5 A 1 ATOM 36 C C . VAL A 1 5 ? -3.226 -0.442 6.578 1.00 98.67 5 A 1 ATOM 37 O O . VAL A 1 5 ? -2.179 -0.282 5.944 1.00 98.38 5 A 1 ATOM 38 C CB . VAL A 1 5 ? -3.166 -1.191 8.977 1.00 98.33 5 A 1 ATOM 39 C CG1 . VAL A 1 5 ? -1.859 -1.920 8.697 1.00 95.89 5 A 1 ATOM 40 C CG2 . VAL A 1 5 ? -3.212 -0.739 10.430 1.00 95.88 5 A 1 ATOM 41 N N . LEU A 1 6 ? -4.322 -1.005 6.058 1.00 98.56 6 A 1 ATOM 42 C CA . LEU A 1 6 ? -4.357 -1.463 4.671 1.00 98.51 6 A 1 ATOM 43 C C . LEU A 1 6 ? -4.181 -0.293 3.708 1.00 98.44 6 A 1 ATOM 44 O O . LEU A 1 6 ? -3.469 -0.393 2.708 1.00 98.17 6 A 1 ATOM 45 C CB . LEU A 1 6 ? -5.678 -2.195 4.385 1.00 98.36 6 A 1 ATOM 46 C CG . LEU A 1 6 ? -5.631 -3.712 4.568 1.00 96.38 6 A 1 ATOM 47 C CD1 . LEU A 1 6 ? -4.707 -4.344 3.544 1.00 93.89 6 A 1 ATOM 48 C CD2 . LEU A 1 6 ? -5.201 -4.090 5.975 1.00 94.00 6 A 1 ATOM 49 N N . TRP A 1 7 ? -4.851 0.816 4.018 1.00 98.19 7 A 1 ATOM 50 C CA . TRP A 1 7 ? -4.749 2.027 3.202 1.00 98.08 7 A 1 ATOM 51 C C . TRP A 1 7 ? -3.319 2.563 3.190 1.00 98.26 7 A 1 ATOM 52 O O . TRP A 1 7 ? -2.788 2.926 2.137 1.00 97.89 7 A 1 ATOM 53 C CB . TRP A 1 7 ? -5.715 3.090 3.733 1.00 97.72 7 A 1 ATOM 54 C CG . TRP A 1 7 ? -5.546 4.442 3.111 1.00 96.26 7 A 1 ATOM 55 C CD1 . TRP A 1 7 ? -5.449 5.630 3.770 1.00 93.12 7 A 1 ATOM 56 C CD2 . TRP A 1 7 ? -5.447 4.761 1.713 1.00 94.43 7 A 1 ATOM 57 N NE1 . TRP A 1 7 ? -5.300 6.655 2.874 1.00 91.25 7 A 1 ATOM 58 C CE2 . TRP A 1 7 ? -5.290 6.159 1.600 1.00 93.35 7 A 1 ATOM 59 C CE3 . TRP A 1 7 ? -5.471 3.999 0.538 1.00 91.99 7 A 1 ATOM 60 C CZ2 . TRP A 1 7 ? -5.157 6.798 0.359 1.00 92.08 7 A 1 ATOM 61 C CZ3 . TRP A 1 7 ? -5.337 4.636 -0.693 1.00 89.02 7 A 1 ATOM 62 C CH2 . TRP A 1 7 ? -5.182 6.022 -0.769 1.00 88.96 7 A 1 ATOM 63 N N . LEU A 1 8 ? -2.687 2.603 4.362 1.00 98.27 8 A 1 ATOM 64 C CA . LEU A 1 8 ? -1.311 3.078 4.476 1.00 98.23 8 A 1 ATOM 65 C C . LEU A 1 8 ? -0.351 2.161 3.726 1.00 98.31 8 A 1 ATOM 66 O O . LEU A 1 8 ? 0.568 2.630 3.053 1.00 98.17 8 A 1 ATOM 67 C CB . LEU A 1 8 ? -0.903 3.154 5.949 1.00 98.07 8 A 1 ATOM 68 C CG . LEU A 1 8 ? -1.549 4.298 6.726 1.00 94.78 8 A 1 ATOM 69 C CD1 . LEU A 1 8 ? -1.292 4.143 8.218 1.00 92.36 8 A 1 ATOM 70 C CD2 . LEU A 1 8 ? -1.025 5.644 6.249 1.00 92.92 8 A 1 ATOM 71 N N . LEU A 1 9 ? -0.576 0.859 3.838 1.00 97.95 9 A 1 ATOM 72 C CA . LEU A 1 9 ? 0.258 -0.130 3.160 1.00 97.80 9 A 1 ATOM 73 C C . LEU A 1 9 ? 0.187 0.045 1.646 1.00 97.99 9 A 1 ATOM 74 O O . LEU A 1 9 ? 1.209 -0.000 0.959 1.00 97.93 9 A 1 ATOM 75 C CB . LEU A 1 9 ? -0.189 -1.544 3.540 1.00 97.47 9 A 1 ATOM 76 C CG . LEU A 1 9 ? 0.782 -2.646 3.128 1.00 92.58 9 A 1 ATOM 77 C CD1 . LEU A 1 9 ? 2.041 -2.606 3.984 1.00 91.22 9 A 1 ATOM 78 C CD2 . LEU A 1 9 ? 0.120 -4.009 3.244 1.00 91.71 9 A 1 ATOM 79 N N . ALA A 1 10 ? -1.019 0.237 1.136 1.00 97.95 10 A 1 ATOM 80 C CA . ALA A 1 10 ? -1.226 0.432 -0.296 1.00 97.93 10 A 1 ATOM 81 C C . ALA A 1 10 ? -0.546 1.712 -0.782 1.00 97.97 10 A 1 ATOM 82 O O . ALA A 1 10 ? 0.053 1.733 -1.860 1.00 97.55 10 A 1 ATOM 83 C CB . ALA A 1 10 ? -2.720 0.480 -0.604 1.00 97.74 10 A 1 ATOM 84 N N . LEU A 1 11 ? -0.635 2.763 0.017 1.00 97.69 11 A 1 ATOM 85 C CA . LEU A 1 11 ? -0.019 4.045 -0.312 1.00 97.46 11 A 1 ATOM 86 C C . LEU A 1 11 ? 1.499 3.927 -0.386 1.00 97.65 11 A 1 ATOM 87 O O . LEU A 1 11 ? 2.125 4.414 -1.330 1.00 97.35 11 A 1 ATOM 88 C CB . LEU A 1 11 ? -0.409 5.096 0.730 1.00 97.09 11 A 1 ATOM 89 C CG . LEU A 1 11 ? 0.038 6.516 0.401 1.00 93.54 11 A 1 ATOM 90 C CD1 . LEU A 1 11 ? -0.736 7.059 -0.795 1.00 91.65 11 A 1 ATOM 91 C CD2 . LEU A 1 11 ? -0.148 7.421 1.604 1.00 91.65 11 A 1 ATOM 92 N N . VAL A 1 12 ? 2.085 3.277 0.608 1.00 97.91 12 A 1 ATOM 93 C CA . VAL A 1 12 ? 3.535 3.081 0.657 1.00 97.78 12 A 1 ATOM 94 C C . VAL A 1 12 ? 4.005 2.227 -0.512 1.00 97.79 12 A 1 ATOM 95 O O . VAL A 1 12 ? 5.036 2.515 -1.127 1.00 97.39 12 A 1 ATOM 96 C CB . VAL A 1 12 ? 3.956 2.431 1.986 1.00 97.35 12 A 1 ATOM 97 C CG1 . VAL A 1 12 ? 5.436 2.066 1.978 1.00 96.41 12 A 1 ATOM 98 C CG2 . VAL A 1 12 ? 3.663 3.361 3.148 1.00 96.36 12 A 1 ATOM 99 N N . LEU A 1 13 ? 3.253 1.181 -0.819 1.00 97.38 13 A 1 ATOM 100 C CA . LEU A 1 13 ? 3.594 0.282 -1.914 1.00 96.97 13 A 1 ATOM 101 C C . LEU A 1 13 ? 3.590 1.016 -3.249 1.00 96.66 13 A 1 ATOM 102 O O . LEU A 1 13 ? 4.522 0.875 -4.045 1.00 95.91 13 A 1 ATOM 103 C CB . LEU A 1 13 ? 2.610 -0.887 -1.958 1.00 96.55 13 A 1 ATOM 104 C CG . LEU A 1 13 ? 2.966 -1.984 -2.951 1.00 93.93 13 A 1 ATOM 105 C CD1 . LEU A 1 13 ? 4.231 -2.712 -2.521 1.00 92.24 13 A 1 ATOM 106 C CD2 . LEU A 1 13 ? 1.817 -2.961 -3.095 1.00 91.93 13 A 1 ATOM 107 N N . ALA A 1 14 ? 2.551 1.798 -3.491 1.00 97.82 14 A 1 ATOM 108 C CA . ALA A 1 14 ? 2.429 2.554 -4.734 1.00 97.38 14 A 1 ATOM 109 C C . ALA A 1 14 ? 3.538 3.595 -4.861 1.00 97.27 14 A 1 ATOM 110 O O . ALA A 1 14 ? 4.159 3.726 -5.918 1.00 95.84 14 A 1 ATOM 111 C CB . ALA A 1 14 ? 1.062 3.225 -4.805 1.00 96.82 14 A 1 ATOM 112 N N . LEU A 1 15 ? 3.793 4.324 -3.782 1.00 97.45 15 A 1 ATOM 113 C CA . LEU A 1 15 ? 4.826 5.356 -3.765 1.00 96.91 15 A 1 ATOM 114 C C . LEU A 1 15 ? 6.213 4.751 -3.915 1.00 96.56 15 A 1 ATOM 115 O O . LEU A 1 15 ? 7.048 5.263 -4.662 1.00 94.91 15 A 1 ATOM 116 C CB . LEU A 1 15 ? 4.743 6.157 -2.466 1.00 96.35 15 A 1 ATOM 117 C CG . LEU A 1 15 ? 5.620 7.402 -2.428 1.00 94.66 15 A 1 ATOM 118 C CD1 . LEU A 1 15 ? 5.122 8.446 -3.414 1.00 92.10 15 A 1 ATOM 119 C CD2 . LEU A 1 15 ? 5.662 7.973 -1.024 1.00 91.28 15 A 1 ATOM 120 N N . GLY A 1 16 ? 6.457 3.662 -3.214 1.00 96.70 16 A 1 ATOM 121 C CA . GLY A 1 16 ? 7.742 2.977 -3.273 1.00 95.89 16 A 1 ATOM 122 C C . GLY A 1 16 ? 8.026 2.396 -4.639 1.00 95.79 16 A 1 ATOM 123 O O . GLY A 1 16 ? 9.159 2.439 -5.114 1.00 94.12 16 A 1 ATOM 124 N N . SER A 1 17 ? 7.005 1.855 -5.287 1.00 95.88 17 A 1 ATOM 125 C CA . SER A 1 17 ? 7.146 1.269 -6.617 1.00 95.08 17 A 1 ATOM 126 C C . SER A 1 17 ? 7.519 2.320 -7.657 1.00 94.48 17 A 1 ATOM 127 O O . SER A 1 17 ? 8.339 2.063 -8.538 1.00 90.63 17 A 1 ATOM 128 C CB . SER A 1 17 ? 5.856 0.571 -7.038 1.00 92.59 17 A 1 ATOM 129 O OG . SER A 1 17 ? 5.572 -0.508 -6.171 1.00 82.05 17 A 1 ATOM 130 N N . SER A 1 18 ? 6.920 3.497 -7.551 1.00 93.46 18 A 1 ATOM 131 C CA . SER A 1 18 ? 7.178 4.590 -8.488 1.00 92.59 18 A 1 ATOM 132 C C . SER A 1 18 ? 8.525 5.260 -8.240 1.00 92.59 18 A 1 ATOM 133 O O . SER A 1 18 ? 9.272 5.537 -9.179 1.00 86.64 18 A 1 ATOM 134 C CB . SER A 1 18 ? 6.070 5.634 -8.407 1.00 88.97 18 A 1 ATOM 135 O OG . SER A 1 18 ? 4.832 5.075 -8.784 1.00 78.17 18 A 1 ATOM 136 N N . SER A 1 19 ? 8.834 5.523 -6.967 1.00 91.91 19 A 1 ATOM 137 C CA . SER A 1 19 ? 10.077 6.203 -6.601 1.00 91.47 19 A 1 ATOM 138 C C . SER A 1 19 ? 11.256 5.243 -6.514 1.00 92.17 19 A 1 ATOM 139 O O . SER A 1 19 ? 12.338 5.532 -7.025 1.00 87.28 19 A 1 ATOM 140 C CB . SER A 1 19 ? 9.912 6.931 -5.271 1.00 88.33 19 A 1 ATOM 141 O OG . SER A 1 19 ? 8.892 7.903 -5.358 1.00 77.87 19 A 1 ATOM 142 N N . LEU A 1 20 ? 11.041 4.090 -5.888 1.00 90.36 20 A 1 ATOM 143 C CA . LEU A 1 20 ? 12.077 3.076 -5.658 1.00 89.31 20 A 1 ATOM 144 C C . LEU A 1 20 ? 13.247 3.664 -4.875 1.00 90.32 20 A 1 ATOM 145 O O . LEU A 1 20 ? 13.247 3.674 -3.651 1.00 86.00 20 A 1 ATOM 146 C CB . LEU A 1 20 ? 12.560 2.475 -6.988 1.00 86.98 20 A 1 ATOM 147 C CG . LEU A 1 20 ? 11.542 1.596 -7.701 1.00 82.04 20 A 1 ATOM 148 C CD1 . LEU A 1 20 ? 12.037 1.234 -9.093 1.00 76.82 20 A 1 ATOM 149 C CD2 . LEU A 1 20 ? 11.279 0.332 -6.893 1.00 72.42 20 A 1 ATOM 150 N N . ALA A 1 21 ? 14.279 4.149 -5.595 1.00 85.74 21 A 1 ATOM 151 C CA . ALA A 1 21 ? 15.452 4.754 -4.968 1.00 82.28 21 A 1 ATOM 152 C C . ALA A 1 21 ? 15.863 6.018 -5.721 1.00 78.21 21 A 1 ATOM 153 O O . ALA A 1 21 ? 15.138 7.015 -5.661 1.00 72.09 21 A 1 ATOM 154 C CB . ALA A 1 21 ? 16.602 3.750 -4.938 1.00 74.60 21 A 1 ATOM 155 O OXT . ALA A 1 21 ? 16.893 6.017 -6.375 1.00 67.59 21 A 1 #