# 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_spkb23691 # _entry.id spkb23691 # 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" "C2 H5 N O2" 75.067 GLY y GLYCINE C(C(=O)O)N ? "PEPTIDE LINKING" "C6 H10 N3 O2" 156.162 HIS y HISTIDINE c1c([nH+]c[nH]1)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" "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" "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" "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 ARG 2 1 n LEU 3 1 n HIS 4 1 n ALA 5 1 n PHE 6 1 n THR 7 1 n LEU 8 1 n LEU 9 1 n SER 10 1 n LEU 11 1 n LEU 12 1 n GLY 13 1 n LEU 14 1 n VAL 15 1 n PRO 16 1 n SER 17 1 n PHE 18 1 n ALA 19 1 n ALA 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 @ 2025-07-10 08:13:05)" _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 90.53 _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 84.23 1 1 A ARG 2 2 85.52 1 2 A LEU 3 2 89.96 1 3 A HIS 4 2 89.80 1 4 A ALA 5 2 94.99 1 5 A PHE 6 2 89.07 1 6 A THR 7 2 92.98 1 7 A LEU 8 2 92.18 1 8 A LEU 9 2 91.61 1 9 A SER 10 2 93.09 1 10 A LEU 11 2 92.29 1 11 A LEU 12 2 92.68 1 12 A GLY 13 2 95.47 1 13 A LEU 14 2 92.22 1 14 A VAL 15 2 92.28 1 15 A PRO 16 2 94.34 1 16 A SER 17 2 93.27 1 17 A PHE 18 2 88.93 1 18 A ALA 19 2 92.81 1 19 A ALA 20 2 89.65 1 20 A ALA 21 2 81.85 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 ARG . 2 A 2 A 3 1 n LEU . 3 A 3 A 4 1 n HIS . 4 A 4 A 5 1 n ALA . 5 A 5 A 6 1 n PHE . 6 A 6 A 7 1 n THR . 7 A 7 A 8 1 n LEU . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n SER . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n GLY . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n VAL . 15 A 15 A 16 1 n PRO . 16 A 16 A 17 1 n SER . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n ALA . 19 A 19 A 20 1 n ALA . 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 ? -2.755 15.220 11.571 1.00 89.76 1 A 1 ATOM 2 C CA . MET A 1 1 ? -1.878 14.127 11.104 1.00 90.91 1 A 1 ATOM 3 C C . MET A 1 1 ? -2.365 13.592 9.760 1.00 92.54 1 A 1 ATOM 4 O O . MET A 1 1 ? -3.445 13.027 9.681 1.00 89.85 1 A 1 ATOM 5 C CB . MET A 1 1 ? -1.870 12.992 12.126 1.00 86.11 1 A 1 ATOM 6 C CG . MET A 1 1 ? -1.012 13.332 13.339 1.00 80.80 1 A 1 ATOM 7 S SD . MET A 1 1 ? -0.852 11.919 14.444 1.00 77.59 1 A 1 ATOM 8 C CE . MET A 1 1 ? 0.381 12.541 15.578 1.00 66.32 1 A 1 ATOM 9 N N . ARG A 1 2 ? -1.589 13.803 8.725 1.00 91.97 2 A 1 ATOM 10 C CA . ARG A 1 2 ? -1.938 13.343 7.373 1.00 94.33 2 A 1 ATOM 11 C C . ARG A 1 2 ? -0.937 12.311 6.854 1.00 95.45 2 A 1 ATOM 12 O O . ARG A 1 2 ? -1.198 11.652 5.855 1.00 93.70 2 A 1 ATOM 13 C CB . ARG A 1 2 ? -2.000 14.547 6.430 1.00 92.29 2 A 1 ATOM 14 C CG . ARG A 1 2 ? -3.292 15.336 6.603 1.00 87.01 2 A 1 ATOM 15 C CD . ARG A 1 2 ? -3.326 16.521 5.649 1.00 85.13 2 A 1 ATOM 16 N NE . ARG A 1 2 ? -4.680 17.044 5.505 1.00 79.50 2 A 1 ATOM 17 C CZ . ARG A 1 2 ? -5.018 18.031 4.682 1.00 78.23 2 A 1 ATOM 18 N NH1 . ARG A 1 2 ? -4.110 18.654 3.958 1.00 71.36 2 A 1 ATOM 19 N NH2 . ARG A 1 2 ? -6.272 18.391 4.571 1.00 71.70 2 A 1 ATOM 20 N N . LEU A 1 3 ? 0.183 12.156 7.528 1.00 91.41 3 A 1 ATOM 21 C CA . LEU A 1 3 ? 1.220 11.199 7.131 1.00 93.25 3 A 1 ATOM 22 C C . LEU A 1 3 ? 0.737 9.759 7.274 1.00 94.86 3 A 1 ATOM 23 O O . LEU A 1 3 ? 1.091 8.901 6.469 1.00 93.08 3 A 1 ATOM 24 C CB . LEU A 1 3 ? 2.468 11.433 7.984 1.00 91.90 3 A 1 ATOM 25 C CG . LEU A 1 3 ? 3.408 12.466 7.377 1.00 88.14 3 A 1 ATOM 26 C CD1 . LEU A 1 3 ? 4.248 13.123 8.461 1.00 84.43 3 A 1 ATOM 27 C CD2 . LEU A 1 3 ? 4.320 11.794 6.359 1.00 82.61 3 A 1 ATOM 28 N N . HIS A 1 4 ? -0.094 9.503 8.283 1.00 94.98 4 A 1 ATOM 29 C CA . HIS A 1 4 ? -0.618 8.158 8.520 1.00 94.83 4 A 1 ATOM 30 C C . HIS A 1 4 ? -1.512 7.714 7.370 1.00 95.58 4 A 1 ATOM 31 O O . HIS A 1 4 ? -1.445 6.567 6.932 1.00 94.96 4 A 1 ATOM 32 C CB . HIS A 1 4 ? -1.390 8.132 9.840 1.00 93.93 4 A 1 ATOM 33 C CG . HIS A 1 4 ? -0.905 7.054 10.763 1.00 91.07 4 A 1 ATOM 34 N ND1 . HIS A 1 4 ? 0.421 6.802 11.023 1.00 79.93 4 A 1 ATOM 35 C CD2 . HIS A 1 4 ? -1.617 6.160 11.492 1.00 82.07 4 A 1 ATOM 36 C CE1 . HIS A 1 4 ? 0.491 5.784 11.878 1.00 84.97 4 A 1 ATOM 37 N NE2 . HIS A 1 4 ? -0.731 5.377 12.186 1.00 85.68 4 A 1 ATOM 38 N N . ALA A 1 5 ? -2.327 8.617 6.860 1.00 95.05 5 A 1 ATOM 39 C CA . ALA A 1 5 ? -3.214 8.313 5.736 1.00 95.44 5 A 1 ATOM 40 C C . ALA A 1 5 ? -2.405 8.033 4.467 1.00 95.59 5 A 1 ATOM 41 O O . ALA A 1 5 ? -2.729 7.129 3.702 1.00 94.21 5 A 1 ATOM 42 C CB . ALA A 1 5 ? -4.169 9.481 5.525 1.00 94.68 5 A 1 ATOM 43 N N . PHE A 1 6 ? -1.340 8.786 4.261 1.00 93.67 6 A 1 ATOM 44 C CA . PHE A 1 6 ? -0.469 8.609 3.101 1.00 93.02 6 A 1 ATOM 45 C C . PHE A 1 6 ? 0.283 7.285 3.191 1.00 94.03 6 A 1 ATOM 46 O O . PHE A 1 6 ? 0.448 6.587 2.190 1.00 92.55 6 A 1 ATOM 47 C CB . PHE A 1 6 ? 0.513 9.773 3.028 1.00 92.80 6 A 1 ATOM 48 C CG . PHE A 1 6 ? 0.869 10.122 1.606 1.00 88.82 6 A 1 ATOM 49 C CD1 . PHE A 1 6 ? 1.886 9.449 0.943 1.00 86.03 6 A 1 ATOM 50 C CD2 . PHE A 1 6 ? 0.170 11.120 0.937 1.00 86.02 6 A 1 ATOM 51 C CE1 . PHE A 1 6 ? 2.207 9.762 -0.374 1.00 84.65 6 A 1 ATOM 52 C CE2 . PHE A 1 6 ? 0.487 11.440 -0.380 1.00 84.23 6 A 1 ATOM 53 C CZ . PHE A 1 6 ? 1.506 10.760 -1.036 1.00 83.97 6 A 1 ATOM 54 N N . THR A 1 7 ? 0.717 6.934 4.386 1.00 94.86 7 A 1 ATOM 55 C CA . THR A 1 7 ? 1.431 5.677 4.623 1.00 94.51 7 A 1 ATOM 56 C C . THR A 1 7 ? 0.520 4.485 4.339 1.00 94.79 7 A 1 ATOM 57 O O . THR A 1 7 ? 0.937 3.521 3.699 1.00 94.30 7 A 1 ATOM 58 C CB . THR A 1 7 ? 1.931 5.618 6.068 1.00 94.48 7 A 1 ATOM 59 O OG1 . THR A 1 7 ? 2.646 6.807 6.368 1.00 89.84 7 A 1 ATOM 60 C CG2 . THR A 1 7 ? 2.874 4.449 6.279 1.00 88.08 7 A 1 ATOM 61 N N . LEU A 1 8 ? -0.717 4.567 4.791 1.00 95.21 8 A 1 ATOM 62 C CA . LEU A 1 8 ? -1.693 3.501 4.569 1.00 94.69 8 A 1 ATOM 63 C C . LEU A 1 8 ? -2.002 3.344 3.082 1.00 94.85 8 A 1 ATOM 64 O O . LEU A 1 8 ? -2.090 2.225 2.581 1.00 94.13 8 A 1 ATOM 65 C CB . LEU A 1 8 ? -2.971 3.814 5.350 1.00 94.40 8 A 1 ATOM 66 C CG . LEU A 1 8 ? -2.888 3.440 6.829 1.00 89.58 8 A 1 ATOM 67 C CD1 . LEU A 1 8 ? -3.927 4.205 7.631 1.00 87.58 8 A 1 ATOM 68 C CD2 . LEU A 1 8 ? -3.121 1.939 7.001 1.00 87.01 8 A 1 ATOM 69 N N . LEU A 1 9 ? -2.148 4.452 2.385 1.00 94.55 9 A 1 ATOM 70 C CA . LEU A 1 9 ? -2.424 4.436 0.948 1.00 93.52 9 A 1 ATOM 71 C C . LEU A 1 9 ? -1.258 3.839 0.171 1.00 94.17 9 A 1 ATOM 72 O O . LEU A 1 9 ? -1.463 3.051 -0.754 1.00 93.73 9 A 1 ATOM 73 C CB . LEU A 1 9 ? -2.708 5.865 0.478 1.00 93.34 9 A 1 ATOM 74 C CG . LEU A 1 9 ? -4.191 6.117 0.216 1.00 89.13 9 A 1 ATOM 75 C CD1 . LEU A 1 9 ? -4.584 7.529 0.620 1.00 87.40 9 A 1 ATOM 76 C CD2 . LEU A 1 9 ? -4.506 5.898 -1.249 1.00 87.06 9 A 1 ATOM 77 N N . SER A 1 10 ? -0.043 4.181 0.551 1.00 94.49 10 A 1 ATOM 78 C CA . SER A 1 10 ? 1.159 3.664 -0.103 1.00 94.25 10 A 1 ATOM 79 C C . SER A 1 10 ? 1.294 2.163 0.125 1.00 94.65 10 A 1 ATOM 80 O O . SER A 1 10 ? 1.600 1.418 -0.802 1.00 93.78 10 A 1 ATOM 81 C CB . SER A 1 10 ? 2.390 4.385 0.434 1.00 93.48 10 A 1 ATOM 82 O OG . SER A 1 10 ? 2.303 5.768 0.165 1.00 87.88 10 A 1 ATOM 83 N N . LEU A 1 11 ? 1.032 1.725 1.343 1.00 93.56 11 A 1 ATOM 84 C CA . LEU A 1 11 ? 1.103 0.308 1.692 1.00 93.66 11 A 1 ATOM 85 C C . LEU A 1 11 ? 0.016 -0.488 0.978 1.00 94.77 11 A 1 ATOM 86 O O . LEU A 1 11 ? 0.255 -1.619 0.559 1.00 93.83 11 A 1 ATOM 87 C CB . LEU A 1 11 ? 0.961 0.156 3.208 1.00 93.20 11 A 1 ATOM 88 C CG . LEU A 1 11 ? 2.291 0.317 3.948 1.00 91.20 11 A 1 ATOM 89 C CD1 . LEU A 1 11 ? 2.059 0.815 5.363 1.00 89.12 11 A 1 ATOM 90 C CD2 . LEU A 1 11 ? 3.027 -1.009 3.994 1.00 89.01 11 A 1 ATOM 91 N N . LEU A 1 12 ? -1.154 0.104 0.822 1.00 94.66 12 A 1 ATOM 92 C CA . LEU A 1 12 ? -2.279 -0.548 0.155 1.00 94.53 12 A 1 ATOM 93 C C . LEU A 1 12 ? -1.921 -0.954 -1.273 1.00 95.50 12 A 1 ATOM 94 O O . LEU A 1 12 ? -2.376 -1.990 -1.759 1.00 94.45 12 A 1 ATOM 95 C CB . LEU A 1 12 ? -3.480 0.404 0.153 1.00 93.54 12 A 1 ATOM 96 C CG . LEU A 1 12 ? -4.815 -0.306 -0.046 1.00 91.71 12 A 1 ATOM 97 C CD1 . LEU A 1 12 ? -5.380 -0.762 1.300 1.00 88.91 12 A 1 ATOM 98 C CD2 . LEU A 1 12 ? -5.805 0.617 -0.727 1.00 88.15 12 A 1 ATOM 99 N N . GLY A 1 13 ? -1.110 -0.158 -1.942 1.00 95.15 13 A 1 ATOM 100 C CA . GLY A 1 13 ? -0.706 -0.444 -3.317 1.00 95.40 13 A 1 ATOM 101 C C . GLY A 1 13 ? 0.618 -1.180 -3.419 1.00 96.34 13 A 1 ATOM 102 O O . GLY A 1 13 ? 0.833 -1.947 -4.353 1.00 95.00 13 A 1 ATOM 103 N N . LEU A 1 14 ? 1.502 -0.972 -2.457 1.00 94.49 14 A 1 ATOM 104 C CA . LEU A 1 14 ? 2.827 -1.590 -2.471 1.00 94.66 14 A 1 ATOM 105 C C . LEU A 1 14 ? 2.812 -3.016 -1.932 1.00 95.32 14 A 1 ATOM 106 O O . LEU A 1 14 ? 3.499 -3.879 -2.475 1.00 93.30 14 A 1 ATOM 107 C CB . LEU A 1 14 ? 3.796 -0.730 -1.656 1.00 93.64 14 A 1 ATOM 108 C CG . LEU A 1 14 ? 4.263 0.526 -2.388 1.00 91.32 14 A 1 ATOM 109 C CD1 . LEU A 1 14 ? 4.794 1.545 -1.403 1.00 88.48 14 A 1 ATOM 110 C CD2 . LEU A 1 14 ? 5.353 0.169 -3.396 1.00 86.53 14 A 1 ATOM 111 N N . VAL A 1 15 ? 2.042 -3.267 -0.890 1.00 94.00 15 A 1 ATOM 112 C CA . VAL A 1 15 ? 1.963 -4.600 -0.279 1.00 94.21 15 A 1 ATOM 113 C C . VAL A 1 15 ? 1.556 -5.669 -1.297 1.00 94.71 15 A 1 ATOM 114 O O . VAL A 1 15 ? 2.239 -6.690 -1.406 1.00 93.72 15 A 1 ATOM 115 C CB . VAL A 1 15 ? 1.018 -4.580 0.938 1.00 92.77 15 A 1 ATOM 116 C CG1 . VAL A 1 15 ? 0.694 -5.980 1.420 1.00 86.99 15 A 1 ATOM 117 C CG2 . VAL A 1 15 ? 1.648 -3.798 2.077 1.00 89.56 15 A 1 ATOM 118 N N . PRO A 1 16 ? 0.481 -5.470 -2.065 1.00 95.77 16 A 1 ATOM 119 C CA . PRO A 1 16 ? 0.080 -6.476 -3.056 1.00 95.27 16 A 1 ATOM 120 C C . PRO A 1 16 ? 1.094 -6.607 -4.180 1.00 95.91 16 A 1 ATOM 121 O O . PRO A 1 16 ? 1.288 -7.701 -4.705 1.00 94.57 16 A 1 ATOM 122 C CB . PRO A 1 16 ? -1.269 -5.966 -3.577 1.00 93.38 16 A 1 ATOM 123 C CG . PRO A 1 16 ? -1.287 -4.513 -3.256 1.00 91.30 16 A 1 ATOM 124 C CD . PRO A 1 16 ? -0.470 -4.376 -1.991 1.00 94.21 16 A 1 ATOM 125 N N . SER A 1 17 ? 1.760 -5.536 -4.540 1.00 95.42 17 A 1 ATOM 126 C CA . SER A 1 17 ? 2.775 -5.560 -5.596 1.00 95.59 17 A 1 ATOM 127 C C . SER A 1 17 ? 3.977 -6.405 -5.187 1.00 96.01 17 A 1 ATOM 128 O O . SER A 1 17 ? 4.495 -7.184 -5.982 1.00 94.32 17 A 1 ATOM 129 C CB . SER A 1 17 ? 3.224 -4.139 -5.920 1.00 93.67 17 A 1 ATOM 130 O OG . SER A 1 17 ? 2.140 -3.384 -6.415 1.00 84.61 17 A 1 ATOM 131 N N . PHE A 1 18 ? 4.403 -6.256 -3.939 1.00 93.40 18 A 1 ATOM 132 C CA . PHE A 1 18 ? 5.525 -7.033 -3.418 1.00 93.00 18 A 1 ATOM 133 C C . PHE A 1 18 ? 5.141 -8.494 -3.227 1.00 94.40 18 A 1 ATOM 134 O O . PHE A 1 18 ? 5.951 -9.388 -3.483 1.00 93.32 18 A 1 ATOM 135 C CB . PHE A 1 18 ? 5.988 -6.437 -2.090 1.00 91.66 18 A 1 ATOM 136 C CG . PHE A 1 18 ? 7.031 -5.364 -2.272 1.00 88.55 18 A 1 ATOM 137 C CD1 . PHE A 1 18 ? 8.339 -5.712 -2.584 1.00 85.94 18 A 1 ATOM 138 C CD2 . PHE A 1 18 ? 6.704 -4.026 -2.128 1.00 85.91 18 A 1 ATOM 139 C CE1 . PHE A 1 18 ? 9.314 -4.735 -2.755 1.00 84.79 18 A 1 ATOM 140 C CE2 . PHE A 1 18 ? 7.675 -3.039 -2.299 1.00 83.42 18 A 1 ATOM 141 C CZ . PHE A 1 18 ? 8.980 -3.394 -2.614 1.00 83.87 18 A 1 ATOM 142 N N . ALA A 1 19 ? 3.929 -8.741 -2.793 1.00 93.48 19 A 1 ATOM 143 C CA . ALA A 1 19 ? 3.445 -10.105 -2.576 1.00 92.96 19 A 1 ATOM 144 C C . ALA A 1 19 ? 3.218 -10.836 -3.897 1.00 93.74 19 A 1 ATOM 145 O O . ALA A 1 19 ? 3.307 -12.061 -3.949 1.00 92.46 19 A 1 ATOM 146 C CB . ALA A 1 19 ? 2.154 -10.058 -1.765 1.00 91.39 19 A 1 ATOM 147 N N . ALA A 1 20 ? 2.925 -10.106 -4.959 1.00 91.32 20 A 1 ATOM 148 C CA . ALA A 1 20 ? 2.681 -10.682 -6.282 1.00 90.20 20 A 1 ATOM 149 C C . ALA A 1 20 ? 3.972 -11.127 -6.970 1.00 90.81 20 A 1 ATOM 150 O O . ALA A 1 20 ? 3.926 -11.869 -7.950 1.00 87.98 20 A 1 ATOM 151 C CB . ALA A 1 20 ? 1.945 -9.665 -7.153 1.00 87.95 20 A 1 ATOM 152 N N . ALA A 1 21 ? 5.122 -10.692 -6.460 1.00 88.84 21 A 1 ATOM 153 C CA . ALA A 1 21 ? 6.419 -11.038 -7.034 1.00 86.40 21 A 1 ATOM 154 C C . ALA A 1 21 ? 6.687 -12.542 -6.981 1.00 83.77 21 A 1 ATOM 155 O O . ALA A 1 21 ? 6.149 -13.223 -6.094 1.00 78.53 21 A 1 ATOM 156 C CB . ALA A 1 21 ? 7.523 -10.265 -6.317 1.00 80.49 21 A 1 ATOM 157 O OXT . ALA A 1 21 ? 7.448 -13.038 -7.836 1.00 73.07 21 A 1 #