# 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_spkb41841 # _entry.id spkb41841 # 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 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" "C3 H7 N O3" 105.093 SER y SERINE C([C@@H](C(=O)O)N)O ? "L-PEPTIDE LINKING" "C9 H11 N O3" 181.189 TYR y TYROSINE c1cc(ccc1C[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 LEU 2 1 n LYS 3 1 n SER 4 1 n TYR 5 1 n ARG 6 1 n ALA 7 1 n VAL 8 1 n LEU 9 1 n VAL 10 1 n SER 11 1 n LEU 12 1 n SER 13 1 n LEU 14 1 n LEU 15 1 n PHE 16 1 n VAL 17 1 n PHE 18 1 n VAL 19 1 n LEU 20 1 n SER 21 1 n GLY 22 # _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 @ 2025-07-04 19:10:57)" _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 95.96 _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 90.28 1 1 A LEU 2 2 93.30 1 2 A LYS 3 2 91.58 1 3 A SER 4 2 95.86 1 4 A TYR 5 2 95.53 1 5 A ARG 6 2 90.59 1 6 A ALA 7 2 98.58 1 7 A VAL 8 2 98.16 1 8 A LEU 9 2 96.56 1 9 A VAL 10 2 98.07 1 10 A SER 11 2 97.18 1 11 A LEU 12 2 96.97 1 12 A SER 13 2 98.25 1 13 A LEU 14 2 97.75 1 14 A LEU 15 2 97.27 1 15 A PHE 16 2 97.60 1 16 A VAL 17 2 98.47 1 17 A PHE 18 2 97.66 1 18 A VAL 19 2 98.37 1 19 A LEU 20 2 97.37 1 20 A SER 21 2 96.42 1 21 A GLY 22 2 92.82 1 22 # _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 LEU . 2 A 2 A 3 1 n LYS . 3 A 3 A 4 1 n SER . 4 A 4 A 5 1 n TYR . 5 A 5 A 6 1 n ARG . 6 A 6 A 7 1 n ALA . 7 A 7 A 8 1 n VAL . 8 A 8 A 9 1 n LEU . 9 A 9 A 10 1 n VAL . 10 A 10 A 11 1 n SER . 11 A 11 A 12 1 n LEU . 12 A 12 A 13 1 n SER . 13 A 13 A 14 1 n LEU . 14 A 14 A 15 1 n LEU . 15 A 15 A 16 1 n PHE . 16 A 16 A 17 1 n VAL . 17 A 17 A 18 1 n PHE . 18 A 18 A 19 1 n VAL . 19 A 19 A 20 1 n LEU . 20 A 20 A 21 1 n SER . 21 A 21 A 22 1 n GLY . 22 A 22 # _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 ? 11.039 5.730 5.854 1.00 95.32 1 A 1 ATOM 2 C CA . MET A 1 1 ? 11.879 5.423 7.007 1.00 96.06 1 A 1 ATOM 3 C C . MET A 1 1 ? 11.117 4.569 8.014 1.00 96.28 1 A 1 ATOM 4 O O . MET A 1 1 ? 9.902 4.430 7.914 1.00 94.52 1 A 1 ATOM 5 C CB . MET A 1 1 ? 12.340 6.708 7.691 1.00 93.00 1 A 1 ATOM 6 C CG . MET A 1 1 ? 13.108 7.632 6.762 1.00 87.76 1 A 1 ATOM 7 S SD . MET A 1 1 ? 13.635 9.138 7.590 1.00 83.57 1 A 1 ATOM 8 C CE . MET A 1 1 ? 14.352 10.026 6.212 1.00 75.77 1 A 1 ATOM 9 N N . LEU A 1 2 ? 11.836 4.036 8.964 1.00 96.82 2 A 1 ATOM 10 C CA . LEU A 1 2 ? 11.258 3.244 10.046 1.00 97.28 2 A 1 ATOM 11 C C . LEU A 1 2 ? 10.545 2.003 9.524 1.00 97.61 2 A 1 ATOM 12 O O . LEU A 1 2 ? 10.115 1.956 8.369 1.00 96.86 2 A 1 ATOM 13 C CB . LEU A 1 2 ? 10.278 4.093 10.865 1.00 96.48 2 A 1 ATOM 14 C CG . LEU A 1 2 ? 10.821 5.434 11.373 1.00 90.50 2 A 1 ATOM 15 C CD1 . LEU A 1 2 ? 9.727 6.199 12.100 1.00 86.57 2 A 1 ATOM 16 C CD2 . LEU A 1 2 ? 12.011 5.200 12.298 1.00 84.25 2 A 1 ATOM 17 N N . LYS A 1 3 ? 10.427 1.018 10.392 1.00 97.38 3 A 1 ATOM 18 C CA . LYS A 1 3 ? 9.744 -0.219 10.011 1.00 97.64 3 A 1 ATOM 19 C C . LYS A 1 3 ? 8.246 0.016 9.883 1.00 97.88 3 A 1 ATOM 20 O O . LYS A 1 3 ? 7.570 -0.640 9.087 1.00 97.35 3 A 1 ATOM 21 C CB . LYS A 1 3 ? 10.024 -1.300 11.052 1.00 96.89 3 A 1 ATOM 22 C CG . LYS A 1 3 ? 11.458 -1.797 11.023 1.00 90.90 3 A 1 ATOM 23 C CD . LYS A 1 3 ? 11.647 -2.947 11.991 1.00 89.15 3 A 1 ATOM 24 C CE . LYS A 1 3 ? 13.040 -3.526 11.881 1.00 81.84 3 A 1 ATOM 25 N NZ . LYS A 1 3 ? 14.065 -2.556 12.346 1.00 75.18 3 A 1 ATOM 26 N N . SER A 1 4 ? 7.745 0.944 10.677 1.00 97.66 4 A 1 ATOM 27 C CA . SER A 1 4 ? 6.326 1.277 10.658 1.00 98.01 4 A 1 ATOM 28 C C . SER A 1 4 ? 5.924 1.847 9.305 1.00 98.26 4 A 1 ATOM 29 O O . SER A 1 4 ? 4.788 1.677 8.862 1.00 97.72 4 A 1 ATOM 30 C CB . SER A 1 4 ? 6.002 2.283 11.764 1.00 97.03 4 A 1 ATOM 31 O OG . SER A 1 4 ? 6.764 3.460 11.626 1.00 86.50 4 A 1 ATOM 32 N N . TYR A 1 5 ? 6.868 2.521 8.667 1.00 98.00 5 A 1 ATOM 33 C CA . TYR A 1 5 ? 6.617 3.124 7.362 1.00 98.25 5 A 1 ATOM 34 C C . TYR A 1 5 ? 6.309 2.044 6.333 1.00 98.45 5 A 1 ATOM 35 O O . TYR A 1 5 ? 5.437 2.210 5.478 1.00 98.29 5 A 1 ATOM 36 C CB . TYR A 1 5 ? 7.836 3.942 6.918 1.00 98.09 5 A 1 ATOM 37 C CG . TYR A 1 5 ? 7.448 5.157 6.099 1.00 96.06 5 A 1 ATOM 38 C CD1 . TYR A 1 5 ? 7.169 5.046 4.746 1.00 93.67 5 A 1 ATOM 39 C CD2 . TYR A 1 5 ? 7.363 6.408 6.694 1.00 94.17 5 A 1 ATOM 40 C CE1 . TYR A 1 5 ? 6.807 6.154 4.001 1.00 92.50 5 A 1 ATOM 41 C CE2 . TYR A 1 5 ? 7.003 7.529 5.952 1.00 93.64 5 A 1 ATOM 42 C CZ . TYR A 1 5 ? 6.729 7.393 4.604 1.00 93.54 5 A 1 ATOM 43 O OH . TYR A 1 5 ? 6.374 8.494 3.863 1.00 91.65 5 A 1 ATOM 44 N N . ARG A 1 6 ? 7.017 0.937 6.441 1.00 98.31 6 A 1 ATOM 45 C CA . ARG A 1 6 ? 6.812 -0.179 5.524 1.00 98.40 6 A 1 ATOM 46 C C . ARG A 1 6 ? 5.420 -0.755 5.706 1.00 98.60 6 A 1 ATOM 47 O O . ARG A 1 6 ? 4.744 -1.094 4.734 1.00 98.31 6 A 1 ATOM 48 C CB . ARG A 1 6 ? 7.861 -1.259 5.770 1.00 98.02 6 A 1 ATOM 49 C CG . ARG A 1 6 ? 9.269 -0.771 5.520 1.00 94.66 6 A 1 ATOM 50 C CD . ARG A 1 6 ? 10.272 -1.891 5.751 1.00 90.62 6 A 1 ATOM 51 N NE . ARG A 1 6 ? 10.289 -2.826 4.631 1.00 85.91 6 A 1 ATOM 52 C CZ . ARG A 1 6 ? 11.065 -3.904 4.588 1.00 82.15 6 A 1 ATOM 53 N NH1 . ARG A 1 6 ? 11.871 -4.197 5.594 1.00 76.78 6 A 1 ATOM 54 N NH2 . ARG A 1 6 ? 11.025 -4.697 3.529 1.00 74.68 6 A 1 ATOM 55 N N . ALA A 1 7 ? 5.006 -0.860 6.949 1.00 98.59 7 A 1 ATOM 56 C CA . ALA A 1 7 ? 3.685 -1.386 7.276 1.00 98.65 7 A 1 ATOM 57 C C . ALA A 1 7 ? 2.593 -0.458 6.758 1.00 98.74 7 A 1 ATOM 58 O O . ALA A 1 7 ? 1.566 -0.913 6.259 1.00 98.53 7 A 1 ATOM 59 C CB . ALA A 1 7 ? 3.555 -1.565 8.781 1.00 98.39 7 A 1 ATOM 60 N N . VAL A 1 8 ? 2.834 0.841 6.885 1.00 98.67 8 A 1 ATOM 61 C CA . VAL A 1 8 ? 1.880 1.841 6.416 1.00 98.71 8 A 1 ATOM 62 C C . VAL A 1 8 ? 1.727 1.764 4.906 1.00 98.76 8 A 1 ATOM 63 O O . VAL A 1 8 ? 0.620 1.853 4.375 1.00 98.66 8 A 1 ATOM 64 C CB . VAL A 1 8 ? 2.319 3.257 6.824 1.00 98.57 8 A 1 ATOM 65 C CG1 . VAL A 1 8 ? 1.406 4.304 6.198 1.00 97.07 8 A 1 ATOM 66 C CG2 . VAL A 1 8 ? 2.317 3.399 8.331 1.00 96.70 8 A 1 ATOM 67 N N . LEU A 1 9 ? 2.846 1.603 4.228 1.00 98.62 9 A 1 ATOM 68 C CA . LEU A 1 9 ? 2.840 1.512 2.774 1.00 98.66 9 A 1 ATOM 69 C C . LEU A 1 9 ? 2.081 0.276 2.315 1.00 98.70 9 A 1 ATOM 70 O O . LEU A 1 9 ? 1.334 0.320 1.337 1.00 98.68 9 A 1 ATOM 71 C CB . LEU A 1 9 ? 4.274 1.467 2.249 1.00 98.58 9 A 1 ATOM 72 C CG . LEU A 1 9 ? 5.035 2.785 2.357 1.00 95.39 9 A 1 ATOM 73 C CD1 . LEU A 1 9 ? 6.481 2.591 1.937 1.00 90.64 9 A 1 ATOM 74 C CD2 . LEU A 1 9 ? 4.380 3.860 1.503 1.00 93.21 9 A 1 ATOM 75 N N . VAL A 1 10 ? 2.288 -0.817 3.017 1.00 98.69 10 A 1 ATOM 76 C CA . VAL A 1 10 ? 1.611 -2.069 2.696 1.00 98.65 10 A 1 ATOM 77 C C . VAL A 1 10 ? 0.112 -1.929 2.906 1.00 98.72 10 A 1 ATOM 78 O O . VAL A 1 10 ? -0.687 -2.399 2.092 1.00 98.63 10 A 1 ATOM 79 C CB . VAL A 1 10 ? 2.153 -3.222 3.552 1.00 98.47 10 A 1 ATOM 80 C CG1 . VAL A 1 10 ? 1.330 -4.487 3.335 1.00 96.77 10 A 1 ATOM 81 C CG2 . VAL A 1 10 ? 3.610 -3.486 3.219 1.00 96.56 10 A 1 ATOM 82 N N . SER A 1 11 ? -0.252 -1.277 3.997 1.00 98.67 11 A 1 ATOM 83 C CA . SER A 1 11 ? -1.654 -1.064 4.325 1.00 98.69 11 A 1 ATOM 84 C C . SER A 1 11 ? -2.324 -0.194 3.268 1.00 98.79 11 A 1 ATOM 85 O O . SER A 1 11 ? -3.455 -0.453 2.858 1.00 98.60 11 A 1 ATOM 86 C CB . SER A 1 11 ? -1.785 -0.404 5.693 1.00 98.43 11 A 1 ATOM 87 O OG . SER A 1 11 ? -3.134 -0.387 6.102 1.00 89.89 11 A 1 ATOM 88 N N . LEU A 1 12 ? -1.612 0.830 2.843 1.00 98.78 12 A 1 ATOM 89 C CA . LEU A 1 12 ? -2.117 1.743 1.825 1.00 98.73 12 A 1 ATOM 90 C C . LEU A 1 12 ? -2.297 1.014 0.499 1.00 98.80 12 A 1 ATOM 91 O O . LEU A 1 12 ? -3.287 1.220 -0.208 1.00 98.74 12 A 1 ATOM 92 C CB . LEU A 1 12 ? -1.148 2.914 1.647 1.00 98.59 12 A 1 ATOM 93 C CG . LEU A 1 12 ? -1.828 4.217 1.226 1.00 95.54 12 A 1 ATOM 94 C CD1 . LEU A 1 12 ? -2.526 4.861 2.411 1.00 92.37 12 A 1 ATOM 95 C CD2 . LEU A 1 12 ? -0.821 5.179 0.620 1.00 94.25 12 A 1 ATOM 96 N N . SER A 1 13 ? -1.328 0.173 0.173 1.00 98.73 13 A 1 ATOM 97 C CA . SER A 1 13 ? -1.376 -0.596 -1.062 1.00 98.74 13 A 1 ATOM 98 C C . SER A 1 13 ? -2.545 -1.568 -1.036 1.00 98.82 13 A 1 ATOM 99 O O . SER A 1 13 ? -3.222 -1.766 -2.047 1.00 98.63 13 A 1 ATOM 100 C CB . SER A 1 13 ? -0.068 -1.360 -1.259 1.00 98.57 13 A 1 ATOM 101 O OG . SER A 1 13 ? 1.010 -0.471 -1.452 1.00 96.03 13 A 1 ATOM 102 N N . LEU A 1 14 ? -2.766 -2.160 0.123 1.00 98.85 14 A 1 ATOM 103 C CA . LEU A 1 14 ? -3.860 -3.109 0.295 1.00 98.82 14 A 1 ATOM 104 C C . LEU A 1 14 ? -5.196 -2.423 0.063 1.00 98.85 14 A 1 ATOM 105 O O . LEU A 1 14 ? -6.085 -2.980 -0.586 1.00 98.69 14 A 1 ATOM 106 C CB . LEU A 1 14 ? -3.819 -3.704 1.700 1.00 98.69 14 A 1 ATOM 107 C CG . LEU A 1 14 ? -4.786 -4.863 1.913 1.00 97.23 14 A 1 ATOM 108 C CD1 . LEU A 1 14 ? -4.303 -6.097 1.172 1.00 95.23 14 A 1 ATOM 109 C CD2 . LEU A 1 14 ? -4.942 -5.159 3.392 1.00 95.62 14 A 1 ATOM 110 N N . LEU A 1 15 ? -5.322 -1.223 0.593 1.00 98.81 15 A 1 ATOM 111 C CA . LEU A 1 15 ? -6.540 -0.438 0.432 1.00 98.80 15 A 1 ATOM 112 C C . LEU A 1 15 ? -6.757 -0.086 -1.033 1.00 98.86 15 A 1 ATOM 113 O O . LEU A 1 15 ? -7.886 -0.087 -1.527 1.00 98.76 15 A 1 ATOM 114 C CB . LEU A 1 15 ? -6.450 0.838 1.264 1.00 98.67 15 A 1 ATOM 115 C CG . LEU A 1 15 ? -7.778 1.568 1.431 1.00 95.88 15 A 1 ATOM 116 C CD1 . LEU A 1 15 ? -8.684 0.808 2.393 1.00 93.59 15 A 1 ATOM 117 C CD2 . LEU A 1 15 ? -7.548 2.982 1.932 1.00 94.75 15 A 1 ATOM 118 N N . PHE A 1 16 ? -5.669 0.231 -1.709 1.00 98.78 16 A 1 ATOM 119 C CA . PHE A 1 16 ? -5.713 0.581 -3.125 1.00 98.76 16 A 1 ATOM 120 C C . PHE A 1 16 ? -6.194 -0.605 -3.949 1.00 98.82 16 A 1 ATOM 121 O O . PHE A 1 16 ? -7.019 -0.458 -4.850 1.00 98.70 16 A 1 ATOM 122 C CB . PHE A 1 16 ? -4.324 1.016 -3.592 1.00 98.63 16 A 1 ATOM 123 C CG . PHE A 1 16 ? -4.377 2.074 -4.662 1.00 97.72 16 A 1 ATOM 124 C CD1 . PHE A 1 16 ? -4.648 3.393 -4.335 1.00 96.29 16 A 1 ATOM 125 C CD2 . PHE A 1 16 ? -4.152 1.745 -5.991 1.00 96.84 16 A 1 ATOM 126 C CE1 . PHE A 1 16 ? -4.698 4.371 -5.318 1.00 96.18 16 A 1 ATOM 127 C CE2 . PHE A 1 16 ? -4.200 2.720 -6.979 1.00 96.22 16 A 1 ATOM 128 C CZ . PHE A 1 16 ? -4.475 4.036 -6.643 1.00 96.63 16 A 1 ATOM 129 N N . VAL A 1 17 ? -5.662 -1.772 -3.628 1.00 98.88 17 A 1 ATOM 130 C CA . VAL A 1 17 ? -6.053 -2.994 -4.325 1.00 98.85 17 A 1 ATOM 131 C C . VAL A 1 17 ? -7.498 -3.348 -4.000 1.00 98.87 17 A 1 ATOM 132 O O . VAL A 1 17 ? -8.236 -3.836 -4.860 1.00 98.68 17 A 1 ATOM 133 C CB . VAL A 1 17 ? -5.129 -4.163 -3.946 1.00 98.64 17 A 1 ATOM 134 C CG1 . VAL A 1 17 ? -5.607 -5.457 -4.588 1.00 97.65 17 A 1 ATOM 135 C CG2 . VAL A 1 17 ? -3.700 -3.867 -4.374 1.00 97.70 17 A 1 ATOM 136 N N . PHE A 1 18 ? -7.882 -3.092 -2.761 1.00 98.82 18 A 1 ATOM 137 C CA . PHE A 1 18 ? -9.234 -3.374 -2.302 1.00 98.80 18 A 1 ATOM 138 C C . PHE A 1 18 ? -10.260 -2.600 -3.119 1.00 98.84 18 A 1 ATOM 139 O O . PHE A 1 18 ? -11.242 -3.170 -3.594 1.00 98.66 18 A 1 ATOM 140 C CB . PHE A 1 18 ? -9.364 -3.011 -0.825 1.00 98.68 18 A 1 ATOM 141 C CG . PHE A 1 18 ? -10.775 -3.117 -0.321 1.00 98.04 18 A 1 ATOM 142 C CD1 . PHE A 1 18 ? -11.339 -4.356 -0.069 1.00 96.28 18 A 1 ATOM 143 C CD2 . PHE A 1 18 ? -11.528 -1.978 -0.096 1.00 96.83 18 A 1 ATOM 144 C CE1 . PHE A 1 18 ? -12.641 -4.457 0.396 1.00 96.29 18 A 1 ATOM 145 C CE2 . PHE A 1 18 ? -12.834 -2.072 0.367 1.00 96.45 18 A 1 ATOM 146 C CZ . PHE A 1 18 ? -13.392 -3.315 0.613 1.00 96.59 18 A 1 ATOM 147 N N . VAL A 1 19 ? -10.026 -1.307 -3.266 1.00 98.88 19 A 1 ATOM 148 C CA . VAL A 1 19 ? -10.946 -0.458 -4.020 1.00 98.85 19 A 1 ATOM 149 C C . VAL A 1 19 ? -10.867 -0.759 -5.509 1.00 98.86 19 A 1 ATOM 150 O O . VAL A 1 19 ? -11.844 -0.600 -6.242 1.00 98.65 19 A 1 ATOM 151 C CB . VAL A 1 19 ? -10.653 1.038 -3.773 1.00 98.66 19 A 1 ATOM 152 C CG1 . VAL A 1 19 ? -9.315 1.436 -4.380 1.00 97.28 19 A 1 ATOM 153 C CG2 . VAL A 1 19 ? -11.763 1.895 -4.343 1.00 97.41 19 A 1 ATOM 154 N N . LEU A 1 20 ? -9.688 -1.174 -5.953 1.00 98.80 20 A 1 ATOM 155 C CA . LEU A 1 20 ? -9.480 -1.508 -7.358 1.00 98.72 20 A 1 ATOM 156 C C . LEU A 1 20 ? -10.203 -2.797 -7.713 1.00 98.69 20 A 1 ATOM 157 O O . LEU A 1 20 ? -10.821 -2.904 -8.776 1.00 98.36 20 A 1 ATOM 158 C CB . LEU A 1 20 ? -7.985 -1.654 -7.657 1.00 98.54 20 A 1 ATOM 159 C CG . LEU A 1 20 ? -7.606 -1.294 -9.097 1.00 97.23 20 A 1 ATOM 160 C CD1 . LEU A 1 20 ? -7.481 0.215 -9.248 1.00 94.60 20 A 1 ATOM 161 C CD2 . LEU A 1 20 ? -6.304 -1.973 -9.493 1.00 94.05 20 A 1 ATOM 162 N N . SER A 1 21 ? -10.116 -3.761 -6.816 1.00 98.58 21 A 1 ATOM 163 C CA . SER A 1 21 ? -10.762 -5.053 -7.016 1.00 98.40 21 A 1 ATOM 164 C C . SER A 1 21 ? -12.275 -4.909 -6.970 1.00 98.03 21 A 1 ATOM 165 O O . SER A 1 21 ? -12.990 -5.519 -7.770 1.00 94.54 21 A 1 ATOM 166 C CB . SER A 1 21 ? -10.296 -6.048 -5.955 1.00 97.64 21 A 1 ATOM 167 O OG . SER A 1 21 ? -10.820 -7.328 -6.225 1.00 91.36 21 A 1 ATOM 168 N N . GLY A 1 22 ? -12.727 -4.076 -6.051 1.00 97.06 22 A 1 ATOM 169 C CA . GLY A 1 22 ? -14.149 -3.836 -5.903 1.00 95.43 22 A 1 ATOM 170 C C . GLY A 1 22 ? -14.743 -4.683 -4.799 1.00 92.13 22 A 1 ATOM 171 O O . GLY A 1 22 ? -14.626 -5.910 -4.856 1.00 86.81 22 A 1 ATOM 172 O OXT . GLY A 1 22 ? -15.302 -4.108 -3.849 1.00 92.68 22 A 1 #