# 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_spkb44248 # _entry.id spkb44248 # 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 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" "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 LYS 2 1 n PHE 3 1 n LYS 4 1 n PHE 5 1 n LEU 6 1 n LEU 7 1 n THR 8 1 n PRO 9 1 n LEU 10 1 n LEU 11 1 n SER 12 1 n SER 13 1 n VAL 14 1 n LEU 15 1 n PHE 16 1 n LEU 17 1 n SER 18 1 n ALA 19 # _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 @ 2025-07-09 09:04:39)" _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 87.27 _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 78.27 1 1 A LYS 2 2 81.20 1 2 A PHE 3 2 83.66 1 3 A LYS 4 2 84.45 1 4 A PHE 5 2 84.84 1 5 A LEU 6 2 88.62 1 6 A LEU 7 2 88.52 1 7 A THR 8 2 90.73 1 8 A PRO 9 2 92.53 1 9 A LEU 10 2 89.87 1 10 A LEU 11 2 89.80 1 11 A SER 12 2 90.85 1 12 A SER 13 2 91.04 1 13 A VAL 14 2 90.71 1 14 A LEU 15 2 90.11 1 15 A PHE 16 2 89.73 1 16 A LEU 17 2 88.40 1 17 A SER 18 2 88.67 1 18 A ALA 19 2 80.58 1 19 # _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 PHE . 3 A 3 A 4 1 n LYS . 4 A 4 A 5 1 n PHE . 5 A 5 A 6 1 n LEU . 6 A 6 A 7 1 n LEU . 7 A 7 A 8 1 n THR . 8 A 8 A 9 1 n PRO . 9 A 9 A 10 1 n LEU . 10 A 10 A 11 1 n LEU . 11 A 11 A 12 1 n SER . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n VAL . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n LEU . 17 A 17 A 18 1 n SER . 18 A 18 A 19 1 n ALA . 19 A 19 # _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 ? -10.651 -8.247 6.007 1.00 81.99 1 A 1 ATOM 2 C CA . MET A 1 1 ? -10.930 -6.878 6.489 1.00 85.15 1 A 1 ATOM 3 C C . MET A 1 1 ? -10.967 -5.884 5.332 1.00 84.99 1 A 1 ATOM 4 O O . MET A 1 1 ? -10.195 -6.003 4.390 1.00 81.73 1 A 1 ATOM 5 C CB . MET A 1 1 ? -9.852 -6.441 7.476 1.00 79.48 1 A 1 ATOM 6 C CG . MET A 1 1 ? -9.982 -7.154 8.811 1.00 75.99 1 A 1 ATOM 7 S SD . MET A 1 1 ? -8.775 -6.561 9.994 1.00 72.16 1 A 1 ATOM 8 C CE . MET A 1 1 ? -9.316 -7.427 11.459 1.00 64.65 1 A 1 ATOM 9 N N . LYS A 1 2 ? -11.873 -4.919 5.420 1.00 88.21 2 A 1 ATOM 10 C CA . LYS A 1 2 ? -12.005 -3.904 4.370 1.00 88.78 2 A 1 ATOM 11 C C . LYS A 1 2 ? -10.772 -3.002 4.324 1.00 88.86 2 A 1 ATOM 12 O O . LYS A 1 2 ? -10.299 -2.638 3.248 1.00 88.04 2 A 1 ATOM 13 C CB . LYS A 1 2 ? -13.256 -3.064 4.622 1.00 85.85 2 A 1 ATOM 14 C CG . LYS A 1 2 ? -14.545 -3.864 4.565 1.00 79.38 2 A 1 ATOM 15 C CD . LYS A 1 2 ? -15.751 -2.973 4.814 1.00 77.45 2 A 1 ATOM 16 C CE . LYS A 1 2 ? -17.032 -3.780 4.813 1.00 70.80 2 A 1 ATOM 17 N NZ . LYS A 1 2 ? -17.153 -4.596 6.045 1.00 63.41 2 A 1 ATOM 18 N N . PHE A 1 3 ? -10.266 -2.637 5.499 1.00 88.31 3 A 1 ATOM 19 C CA . PHE A 1 3 ? -9.090 -1.776 5.577 1.00 89.19 3 A 1 ATOM 20 C C . PHE A 1 3 ? -7.849 -2.486 5.049 1.00 91.12 3 A 1 ATOM 21 O O . PHE A 1 3 ? -6.984 -1.859 4.430 1.00 89.61 3 A 1 ATOM 22 C CB . PHE A 1 3 ? -8.865 -1.339 7.025 1.00 87.08 3 A 1 ATOM 23 C CG . PHE A 1 3 ? -9.927 -0.389 7.525 1.00 83.87 3 A 1 ATOM 24 C CD1 . PHE A 1 3 ? -9.903 0.943 7.146 1.00 80.14 3 A 1 ATOM 25 C CD2 . PHE A 1 3 ? -10.933 -0.832 8.364 1.00 79.11 3 A 1 ATOM 26 C CE1 . PHE A 1 3 ? -10.873 1.829 7.598 1.00 76.93 3 A 1 ATOM 27 C CE2 . PHE A 1 3 ? -11.914 0.045 8.821 1.00 78.38 3 A 1 ATOM 28 C CZ . PHE A 1 3 ? -11.881 1.379 8.439 1.00 76.52 3 A 1 ATOM 29 N N . LYS A 1 4 ? -7.753 -3.788 5.289 1.00 90.77 4 A 1 ATOM 30 C CA . LYS A 1 4 ? -6.614 -4.570 4.810 1.00 91.38 4 A 1 ATOM 31 C C . LYS A 1 4 ? -6.570 -4.560 3.288 1.00 92.13 4 A 1 ATOM 32 O O . LYS A 1 4 ? -5.496 -4.462 2.691 1.00 92.07 4 A 1 ATOM 33 C CB . LYS A 1 4 ? -6.708 -6.006 5.329 1.00 90.67 4 A 1 ATOM 34 C CG . LYS A 1 4 ? -6.545 -6.103 6.842 1.00 84.11 4 A 1 ATOM 35 C CD . LYS A 1 4 ? -5.110 -5.844 7.268 1.00 80.32 4 A 1 ATOM 36 C CE . LYS A 1 4 ? -4.918 -6.025 8.765 1.00 73.33 4 A 1 ATOM 37 N NZ . LYS A 1 4 ? -3.525 -5.694 9.172 1.00 65.31 4 A 1 ATOM 38 N N . PHE A 1 5 ? -7.736 -4.648 2.685 1.00 86.58 5 A 1 ATOM 39 C CA . PHE A 1 5 ? -7.838 -4.635 1.228 1.00 87.90 5 A 1 ATOM 40 C C . PHE A 1 5 ? -7.416 -3.278 0.675 1.00 90.20 5 A 1 ATOM 41 O O . PHE A 1 5 ? -6.918 -3.189 -0.450 1.00 89.24 5 A 1 ATOM 42 C CB . PHE A 1 5 ? -9.278 -4.947 0.816 1.00 87.33 5 A 1 ATOM 43 C CG . PHE A 1 5 ? -9.410 -5.169 -0.668 1.00 83.80 5 A 1 ATOM 44 C CD1 . PHE A 1 5 ? -8.990 -6.355 -1.244 1.00 81.23 5 A 1 ATOM 45 C CD2 . PHE A 1 5 ? -9.945 -4.179 -1.477 1.00 83.05 5 A 1 ATOM 46 C CE1 . PHE A 1 5 ? -9.103 -6.567 -2.608 1.00 80.49 5 A 1 ATOM 47 C CE2 . PHE A 1 5 ? -10.058 -4.379 -2.851 1.00 82.28 5 A 1 ATOM 48 C CZ . PHE A 1 5 ? -9.636 -5.575 -3.412 1.00 81.19 5 A 1 ATOM 49 N N . LEU A 1 6 ? -7.614 -2.231 1.457 1.00 91.67 6 A 1 ATOM 50 C CA . LEU A 1 6 ? -7.230 -0.882 1.054 1.00 92.04 6 A 1 ATOM 51 C C . LEU A 1 6 ? -5.779 -0.592 1.421 1.00 93.39 6 A 1 ATOM 52 O O . LEU A 1 6 ? -5.118 0.219 0.776 1.00 92.49 6 A 1 ATOM 53 C CB . LEU A 1 6 ? -8.161 0.140 1.723 1.00 91.70 6 A 1 ATOM 54 C CG . LEU A 1 6 ? -9.046 0.931 0.763 1.00 85.90 6 A 1 ATOM 55 C CD1 . LEU A 1 6 ? -8.195 1.780 -0.168 1.00 81.73 6 A 1 ATOM 56 C CD2 . LEU A 1 6 ? -9.925 -0.009 -0.042 1.00 80.03 6 A 1 ATOM 57 N N . LEU A 1 7 ? -5.300 -1.255 2.469 1.00 91.51 7 A 1 ATOM 58 C CA . LEU A 1 7 ? -3.924 -1.059 2.920 1.00 91.83 7 A 1 ATOM 59 C C . LEU A 1 7 ? -2.929 -1.673 1.945 1.00 92.75 7 A 1 ATOM 60 O O . LEU A 1 7 ? -1.822 -1.158 1.780 1.00 93.08 7 A 1 ATOM 61 C CB . LEU A 1 7 ? -3.745 -1.674 4.312 1.00 91.56 7 A 1 ATOM 62 C CG . LEU A 1 7 ? -4.264 -0.786 5.446 1.00 85.57 7 A 1 ATOM 63 C CD1 . LEU A 1 7 ? -4.438 -1.604 6.719 1.00 81.19 7 A 1 ATOM 64 C CD2 . LEU A 1 7 ? -3.294 0.364 5.703 1.00 80.65 7 A 1 ATOM 65 N N . THR A 1 8 ? -3.312 -2.754 1.312 1.00 93.16 8 A 1 ATOM 66 C CA . THR A 1 8 ? -2.433 -3.419 0.355 1.00 92.61 8 A 1 ATOM 67 C C . THR A 1 8 ? -2.017 -2.483 -0.787 1.00 92.66 8 A 1 ATOM 68 O O . THR A 1 8 ? -0.815 -2.347 -1.052 1.00 91.94 8 A 1 ATOM 69 C CB . THR A 1 8 ? -3.086 -4.702 -0.193 1.00 91.81 8 A 1 ATOM 70 O OG1 . THR A 1 8 ? -4.475 -4.523 -0.397 1.00 87.14 8 A 1 ATOM 71 C CG2 . THR A 1 8 ? -2.862 -5.857 0.759 1.00 85.77 8 A 1 ATOM 72 N N . PRO A 1 9 ? -2.972 -1.829 -1.450 1.00 93.87 9 A 1 ATOM 73 C CA . PRO A 1 9 ? -2.609 -0.906 -2.533 1.00 93.20 9 A 1 ATOM 74 C C . PRO A 1 9 ? -1.888 0.328 -2.009 1.00 93.73 9 A 1 ATOM 75 O O . PRO A 1 9 ? -1.015 0.878 -2.679 1.00 91.79 9 A 1 ATOM 76 C CB . PRO A 1 9 ? -3.963 -0.531 -3.153 1.00 91.31 9 A 1 ATOM 77 C CG . PRO A 1 9 ? -4.957 -0.774 -2.084 1.00 90.75 9 A 1 ATOM 78 C CD . PRO A 1 9 ? -4.416 -1.929 -1.282 1.00 93.08 9 A 1 ATOM 79 N N . LEU A 1 10 ? -2.244 0.751 -0.799 1.00 92.75 10 A 1 ATOM 80 C CA . LEU A 1 10 ? -1.608 1.914 -0.190 1.00 92.58 10 A 1 ATOM 81 C C . LEU A 1 10 ? -0.141 1.628 0.096 1.00 93.45 10 A 1 ATOM 82 O O . LEU A 1 10 ? 0.712 2.496 -0.088 1.00 92.07 10 A 1 ATOM 83 C CB . LEU A 1 10 ? -2.334 2.286 1.106 1.00 92.09 10 A 1 ATOM 84 C CG . LEU A 1 10 ? -3.629 3.065 0.877 1.00 88.60 10 A 1 ATOM 85 C CD1 . LEU A 1 10 ? -4.440 3.117 2.166 1.00 83.17 10 A 1 ATOM 86 C CD2 . LEU A 1 10 ? -3.317 4.487 0.410 1.00 84.26 10 A 1 ATOM 87 N N . LEU A 1 11 ? 0.149 0.411 0.539 1.00 93.65 11 A 1 ATOM 88 C CA . LEU A 1 11 ? 1.527 0.020 0.826 1.00 92.73 11 A 1 ATOM 89 C C . LEU A 1 11 ? 2.363 0.065 -0.445 1.00 93.30 11 A 1 ATOM 90 O O . LEU A 1 11 ? 3.513 0.507 -0.424 1.00 92.85 11 A 1 ATOM 91 C CB . LEU A 1 11 ? 1.544 -1.385 1.426 1.00 92.21 11 A 1 ATOM 92 C CG . LEU A 1 11 ? 1.315 -1.398 2.939 1.00 88.12 11 A 1 ATOM 93 C CD1 . LEU A 1 11 ? 0.875 -2.781 3.397 1.00 82.23 11 A 1 ATOM 94 C CD2 . LEU A 1 11 ? 2.598 -0.996 3.658 1.00 83.33 11 A 1 ATOM 95 N N . SER A 1 12 ? 1.784 -0.378 -1.528 1.00 93.30 12 A 1 ATOM 96 C CA . SER A 1 12 ? 2.473 -0.365 -2.813 1.00 93.15 12 A 1 ATOM 97 C C . SER A 1 12 ? 2.728 1.067 -3.273 1.00 93.34 12 A 1 ATOM 98 O O . SER A 1 12 ? 3.789 1.374 -3.813 1.00 91.20 12 A 1 ATOM 99 C CB . SER A 1 12 ? 1.634 -1.104 -3.845 1.00 91.05 12 A 1 ATOM 100 O OG . SER A 1 12 ? 2.370 -1.271 -5.028 1.00 83.04 12 A 1 ATOM 101 N N . SER A 1 13 ? 1.763 1.933 -3.041 1.00 92.67 13 A 1 ATOM 102 C CA . SER A 1 13 ? 1.884 3.342 -3.415 1.00 92.72 13 A 1 ATOM 103 C C . SER A 1 13 ? 2.983 4.024 -2.607 1.00 93.41 13 A 1 ATOM 104 O O . SER A 1 13 ? 3.755 4.815 -3.143 1.00 91.38 13 A 1 ATOM 105 C CB . SER A 1 13 ? 0.555 4.061 -3.187 1.00 91.40 13 A 1 ATOM 106 O OG . SER A 1 13 ? -0.402 3.641 -4.126 1.00 84.67 13 A 1 ATOM 107 N N . VAL A 1 14 ? 3.039 3.707 -1.320 1.00 92.85 14 A 1 ATOM 108 C CA . VAL A 1 14 ? 4.056 4.288 -0.441 1.00 92.26 14 A 1 ATOM 109 C C . VAL A 1 14 ? 5.441 3.818 -0.867 1.00 93.05 14 A 1 ATOM 110 O O . VAL A 1 14 ? 6.397 4.597 -0.877 1.00 91.53 14 A 1 ATOM 111 C CB . VAL A 1 14 ? 3.785 3.903 1.023 1.00 90.72 14 A 1 ATOM 112 C CG1 . VAL A 1 14 ? 4.921 4.364 1.928 1.00 87.22 14 A 1 ATOM 113 C CG2 . VAL A 1 14 ? 2.476 4.528 1.492 1.00 87.37 14 A 1 ATOM 114 N N . LEU A 1 15 ? 5.539 2.552 -1.215 1.00 93.75 15 A 1 ATOM 115 C CA . LEU A 1 15 ? 6.811 1.983 -1.650 1.00 92.90 15 A 1 ATOM 116 C C . LEU A 1 15 ? 7.262 2.628 -2.956 1.00 93.18 15 A 1 ATOM 117 O O . LEU A 1 15 ? 8.443 2.921 -3.147 1.00 91.63 15 A 1 ATOM 118 C CB . LEU A 1 15 ? 6.654 0.471 -1.817 1.00 92.20 15 A 1 ATOM 119 C CG . LEU A 1 15 ? 7.872 -0.324 -1.356 1.00 89.29 15 A 1 ATOM 120 C CD1 . LEU A 1 15 ? 7.511 -1.791 -1.186 1.00 83.73 15 A 1 ATOM 121 C CD2 . LEU A 1 15 ? 9.017 -0.185 -2.348 1.00 84.23 15 A 1 ATOM 122 N N . PHE A 1 16 ? 6.329 2.853 -3.844 1.00 93.88 16 A 1 ATOM 123 C CA . PHE A 1 16 ? 6.621 3.482 -5.129 1.00 93.19 16 A 1 ATOM 124 C C . PHE A 1 16 ? 7.064 4.928 -4.938 1.00 93.98 16 A 1 ATOM 125 O O . PHE A 1 16 ? 7.983 5.397 -5.611 1.00 91.95 16 A 1 ATOM 126 C CB . PHE A 1 16 ? 5.378 3.431 -6.016 1.00 91.88 16 A 1 ATOM 127 C CG . PHE A 1 16 ? 5.646 3.939 -7.410 1.00 88.73 16 A 1 ATOM 128 C CD1 . PHE A 1 16 ? 6.302 3.143 -8.336 1.00 86.01 16 A 1 ATOM 129 C CD2 . PHE A 1 16 ? 5.240 5.211 -7.782 1.00 87.00 16 A 1 ATOM 130 C CE1 . PHE A 1 16 ? 6.550 3.604 -9.621 1.00 86.18 16 A 1 ATOM 131 C CE2 . PHE A 1 16 ? 5.490 5.683 -9.070 1.00 86.64 16 A 1 ATOM 132 C CZ . PHE A 1 16 ? 6.145 4.877 -9.983 1.00 87.58 16 A 1 ATOM 133 N N . LEU A 1 17 ? 6.408 5.622 -4.028 1.00 92.60 17 A 1 ATOM 134 C CA . LEU A 1 17 ? 6.754 7.016 -3.747 1.00 91.67 17 A 1 ATOM 135 C C . LEU A 1 17 ? 8.064 7.110 -2.978 1.00 92.52 17 A 1 ATOM 136 O O . LEU A 1 17 ? 8.790 8.100 -3.099 1.00 90.82 17 A 1 ATOM 137 C CB . LEU A 1 17 ? 5.626 7.670 -2.948 1.00 90.43 17 A 1 ATOM 138 C CG . LEU A 1 17 ? 4.382 7.972 -3.784 1.00 86.68 17 A 1 ATOM 139 C CD1 . LEU A 1 17 ? 3.190 8.211 -2.879 1.00 81.14 17 A 1 ATOM 140 C CD2 . LEU A 1 17 ? 4.629 9.201 -4.660 1.00 81.31 17 A 1 ATOM 141 N N . SER A 1 18 ? 8.364 6.096 -2.195 1.00 90.92 18 A 1 ATOM 142 C CA . SER A 1 18 ? 9.595 6.055 -1.408 1.00 90.88 18 A 1 ATOM 143 C C . SER A 1 18 ? 10.814 5.783 -2.285 1.00 91.00 18 A 1 ATOM 144 O O . SER A 1 18 ? 11.950 6.043 -1.886 1.00 88.98 18 A 1 ATOM 145 C CB . SER A 1 18 ? 9.489 4.981 -0.329 1.00 89.11 18 A 1 ATOM 146 O OG . SER A 1 18 ? 10.591 5.045 0.542 1.00 81.12 18 A 1 ATOM 147 N N . ALA A 1 19 ? 10.586 5.283 -3.468 1.00 87.85 19 A 1 ATOM 148 C CA . ALA A 1 19 ? 11.662 4.959 -4.393 1.00 84.70 19 A 1 ATOM 149 C C . ALA A 1 19 ? 12.099 6.185 -5.194 1.00 82.08 19 A 1 ATOM 150 O O . ALA A 1 19 ? 11.280 7.102 -5.388 1.00 78.75 19 A 1 ATOM 151 C CB . ALA A 1 19 ? 11.232 3.836 -5.329 1.00 79.18 19 A 1 ATOM 152 O OXT . ALA A 1 19 ? 13.251 6.222 -5.654 1.00 70.92 19 A 1 #